0 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,1,0,0,0,0|3,0,0]=4 1 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,1,0,0,0,0|2,0,0]=3 2 B12R1.5 COc1ccc(cc1)N(C)CF d39b3366aec32235dd3334b33e15739f [0,1,0,0,0,0|3,0,0]=4 3 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,1,0,0,0,0|2,0,0]=3 4 B12R1.5 COc1ccc(cn1)N(C)C=O cd9b938131a0ffc6e237c42eb4fea898 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.5 COc1ccc(cn1)N(C)CO c484a89bc85a58fcfef21c5263d04046 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.5 COc1ccc(nc1)N(C)C=O cadcdb8e3c358807a8cabf0bc3b8fa44 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.5 COc1ccc(nc1)N(C)CO 33985f9544c10c7c432ad4043ff4ea54 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.5 CSc1ccc(cc1)N(C)C=O bdbbb0e5bdf03b7900c9da3e0833e74d [0,1,0,0,0,0|2,1,0]=4 9 B12R1.5 CSc1ccc(cc1)N(C)CO 7392392f522a86f3fecb1588d6d5bf37 [0,1,0,0,0,0|2,1,0]=4 10 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,1,0,0,0,0|2,0,0]=3 12 B12R1.113 CC(=O)c1ccc(cc1)NC#N 2e1077cad859299940af320efde8e0c2 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,1,0,0,0,0|2,0,1]=4 14 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,1,0,0,0,0|2,0,0]=3 15 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.113 CC(=O)c1ccc(cn1)NCF 08ccb3ac413058be9b2130546df17906 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.113 CC(=O)c1ccc(nc1)NCF ce5dc07ab2e66d48af6b95fd0c828117 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,1,0,0,0,0|3,0,0]=4 22 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,1,0,0,0,0|2,0,0]=3 23 B12R1.113 CC(=O)c1cnc(cn1)OCF 19dd08caa144366c9c299ca9787617a9 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.113 CC(=O)c1cnc(nc1)OCF 7bdbe75b98bad45749498348d58fb042 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.113 CC(C)c1ccc(cc1)OCF a7ca380fb5af25e1b29af10fac04b737 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.113 CC(O)c1ccc(cc1)NCF 415eb4e86e110a1f3cf661d70c95cd44 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.113 CC(O)c1ccc(cc1)NCO 74c9a6dba78830dd2b3ade1c19be4252 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,1,0,0,0,0|1,0,0]=2 31 B12R1.113 CCNc1ccc(cc1)C(=S)N 6717bf95bcea50ba1a8070a2fa29a0ab [0,1,0,0,0,0|2,1,0]=4 32 B12R1.113 CCNc1ccc(cc1)C(C)O 06a84e7b07090916a8cf8a0827876e87 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.113 CCNc1ccc(cc1)S(=O)C 6eee7090214169bd16bf843c95e9dce4 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 61505ae0e73ca4e59cf97f62bf4de856 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.113 CCNc1ccc(cn1)C(=O)C 433d281b0eb2a601577fb4e71c3fd4f3 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.113 CCNc1ccc(cn1)C(=O)N 38628e4943d4fba4dd979f30eea2e256 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.113 CCNc1ccc(cn1)C(=O)O 445772db4ba156b9fc509f371a250977 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.113 CCNc1ccc(nc1)C(=O)C 56f227a563d31391d34b525ced93dda7 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.113 CCNc1ccc(nc1)C(=O)N 18bc9b7549e9b044d978a04a720c3d13 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.113 CCNc1ccc(nc1)C(=O)O 3d4b3f9334a92c9c81fda99edc5d14cb [0,1,0,0,0,0|2,0,0]=3 41 B12R1.113 CCNc1ccc(nn1)C(=O)O c061e20366fc0689f6bcc2ef51f20a22 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.113 CCNc1cnc(cn1)C(=O)O 9ee6ceb7d28fa884d42c4466afba492c [0,1,0,0,0,0|3,0,0]=4 43 B12R1.113 CCNc1cnc(nc1)C(=O)O 71108d500e9b3384658c3d220f085fe6 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.113 CCNc1ncc(cn1)C(=O)O 068765086556caf3f3d1e5a2781338d8 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,1,0,0,0,0|1,1,0]=3 49 B12R1.113 CCOc1ccc(cc1)C(C)C 1b1f3178a4d7a5d36377a94e34a4b641 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.113 CCOc1ccc(cc1)N(C)C 7c0c8727d2634fbddeec9ff1c3c4e652 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,1,0,0,0,0|2,0,0]=3 52 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,1,0,0,0,0|2,0,0]=3 55 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.113 CCOc1ccc(cn1)C(=S)N a59cb6466d7da2d75cac94e608d70e80 [0,1,0,0,0,0|2,1,0]=4 57 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,1,0,0,0,0|2,0,0]=3 58 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,1,0,0,0,0|1,0,0]=2 60 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] a09708ba61eb3b268c1cc8743b298fd1 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.113 CCOc1cnc(cn1)C(=O)C 53640d061f779fd1176dca9f18ff45ec [0,1,0,0,0,0|3,0,0]=4 62 B12R1.113 CCOc1cnc(cn1)C(=O)N 0789402290094c08fe9a7b71b9420cdc [0,1,0,0,0,0|3,0,0]=4 63 B12R1.113 CCOc1cnc(cn1)C(=O)O 0484c5c7dc824956e213587b23ea40fd [0,1,0,0,0,0|2,0,0]=3 64 B12R1.113 CCOc1cnc(nc1)C(=O)O fbe8379a55ae64e80fa7525c142ab2d8 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.113 CCOc1ncc(cn1)C(=O)C b9982492e7469c670a1a390038e27ecc [0,1,0,0,0,0|3,0,0]=4 66 B12R1.113 CCOc1ncc(cn1)C(=O)N 0dcfebfe5ac358fe532d3c3706967a42 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.113 CCOc1ncc(cn1)C(=O)O 90a69f95b14105950e0746af889bf203 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.113 CN(C)c1ccc(cc1)OCF e7783933c096400ab0ca8921de39e5cd [0,1,0,0,0,0|3,0,0]=4 69 B12R1.113 CS(=O)c1ccc(cc1)NCF 0296e1a7c488c46974450d16d7aea993 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.113 NC(=O)c1ccc(cc1)NC=O 9fb7ff943e0b6470f967c00a5d8db744 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.113 NC(=O)c1ccc(cn1)NCF d61f02dbb54cf7fd042cb5f64162bcfb [0,1,0,0,0,0|3,0,0]=4 77 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.113 NC(=O)c1ccc(nc1)NCF 578291dcc3fe8e27da082088eee070ac [0,1,0,0,0,0|3,0,0]=4 80 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,1,0,0,0,0|3,0,0]=4 81 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,1,0,0,0,0|2,0,0]=3 82 B12R1.113 NC(=O)c1cnc(cn1)OCF 3d75b04d6095d014c6f6a6d96f92f252 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.113 NC(=O)c1cnc(nc1)OCF a0fa349ffe0ceb3917c48bc37e9f800a [0,1,0,0,0,0|3,0,0]=4 84 B12R1.113 NC(=S)c1ccc(cc1)NCF c01e7e034d1c6a9f9ce059fa31b0b283 [0,1,0,0,0,0|2,1,0]=4 85 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,1,0,0,0,0|2,1,0]=4 86 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,1,0,0,0,0|1,1,0]=3 87 B12R1.113 NC(=S)c1ccc(nc1)OCF f5c8f9a57bfa45958e596d092593837b [0,1,0,0,0,0|2,1,0]=4 88 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,1,0,0,0,0|1,0,0]=2 89 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,1,0,0,0,0|0,0,0]=1 91 B12R1.113 O=C(O)c1ccc(cn1)NCF c501499687dc9c0943ab4dce188bad34 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,1,0,0,0,0|1,0,0]=2 94 B12R1.113 O=C(O)c1ccc(nc1)NCF 01ec063e90a19546acfac6915f960b28 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,1,0,0,0,0|2,0,0]=3 96 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.113 O=C(O)c1ccc(nn1)NCF c9c03d13d1ff25e322f36cad1bc51945 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.113 O=C(O)c1ccc(nn1)NCO e11a208ec2a20433d0370b4a19c4d4d2 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.113 O=C(O)c1cnc(cn1)NCF 163d545aadf269603f3a5b7d4ae6f4e3 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.113 O=C(O)c1cnc(cn1)NCO 921d02e8cf263355a86d651e6cedf6a1 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.113 O=C(O)c1cnc(cn1)OCF d14c93ac542612ac50df3149286a6c8b [0,1,0,0,0,0|2,0,0]=3 102 B12R1.113 O=C(O)c1cnc(nc1)NCF ecd3e319e7ea1f48ce61e6a5d77aa793 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.113 O=C(O)c1cnc(nc1)NCO a1835aa5cd4fe84943dde2039f4d6d75 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.113 O=C(O)c1cnc(nc1)OCF d8c4e25264ec4566a8f9a1932e56de96 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.113 O=C(O)c1ncc(cn1)NCF fd6a806e0830c5429c37430945590dfc [0,1,0,0,0,0|3,0,0]=4 106 B12R1.113 O=C(O)c1ncc(cn1)NCO a2111b96b55ed8ae8f3217dd3dc7cb84 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.113 O=C(O)c1ncc(cn1)OCF 6f60440f851880ab1b38ec75523e5ea3 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 666ba325db329490991e587abcd4eb51 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,1,0,0,0,0|2,0,1]=4 110 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 6473f40a27e4e6b879210bc12c415901 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 463453bc22804ab9566c3891bab41767 [0,0,0,0,0,1|2,0,1]=4 113 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,0,0,0,0,1|2,0,1]=4 114 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,0,0,0,0,1|3,0,0]=4 115 B12R1.4 CC(=O)Nc1ccc(cc1)CO 64a0fcf83ab5804ecc6b06daa915b61a [0,0,0,0,0,1|3,0,0]=4 116 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,0,0,0,0,1|2,0,0]=3 117 B12R1.4 CCc1ccc(cn1)NC(=O)C 8dece4d59586f361bbe516f34ac8d51b [0,0,0,0,0,1|3,0,0]=4 118 B12R1.4 CCc1ccc(nc1)NC(=O)C 23bdba8492b5cf30010461953df2aaf1 [0,0,0,0,0,1|3,0,0]=4 119 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,0,0,0,0,1|1,0,0]=2 120 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,0,0,0,0,1|2,0,1]=4 122 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,0,0,0,0,1|2,0,0]=3 123 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,0,0,0,0,1|2,0,0]=3 124 B12R1.4 COc1ccc(nn1)NC(=O)C 063cfb8c8c13efcfc794635ea6dd9b6d [0,0,0,0,0,1|3,0,0]=4 125 B12R1.4 COc1cnc(cn1)NC(=O)C 6a8142d888f641ffe240e63bb5462052 [0,0,0,0,0,1|3,0,0]=4 126 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,0,0,0,0,1|1,1,0]=3 127 B12R1.4 CSc1ccc(cn1)NC(=O)C 7d368dd74cbbf77f689a4d770f9114b0 [0,0,0,0,0,1|2,1,0]=4 128 B9R0.24 C=C(C=O)OCC(=C)OC 98831279f5e088d70f197796d78f1ec1 [1,0,1,0,0,0|1,0,1]=4 129 B11R0.90 C=C(CO/C(=C\C)/C(=O)O)OC 0445d550bfd7412c63b599b13613f27d [0,1,1,0,0,0|1,0,1]=4 130 B11R1.83 C#Cc1ccc(cc1)NC=O 95370e205b84943a487b32541a22dd96 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.83 C#Cc1ccc(cc1)OCC 7605fc1756b7b37617def1215e5772aa [1,1,0,0,0,0|1,0,1]=4 132 B11R1.83 C#Cc1ccc(cc1)OCF aee315f803dafc5530067ae9183b1e0d [1,1,0,0,0,0|1,0,1]=4 133 B11R1.83 C=Cc1ccc(cc1)NCC 817ec74810f825a0e36709628dff4396 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.83 C=Cc1ccc(cc1)NCF 0a4b6dd3c2bcc6ff056575d646b45479 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.83 C=Cc1ccc(cc1)NCO 38b24d34161eea2db824a391ffef5464 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.83 C=Cc1ccc(cc1)OCC 2dfc252e05f2c69f9afd57ad07934f94 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.83 C=Cc1ccc(cc1)OCF 1caa6521b77ee34492a62573e025620c [1,1,0,0,0,0|1,0,0]=3 138 B11R1.83 CCNc1ccc(cc1)C=O 5b1da36ecdd403f54386923bf3cd85f6 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.83 CCNc1ccc(cc1)CO ebf5cabcdccf03d422420491e8a9bb88 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.83 CCNc1ccc(cc1)OC a4b97f177bf546e094eec7eb3e7f66dd [1,1,0,0,0,0|1,0,1]=4 141 B11R1.83 CCNc1ccc(cn1)C=O dd4312795d8088c2d75d58fa4a7fbc09 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.83 CCNc1ccc(nc1)C=O e9ae26db13ed7f812a2c4aa039ca3f6c [1,1,0,0,0,0|2,0,0]=4 143 B11R1.83 CCOc1ccc(cc1)C#N 9b013ab74d3621a0af682769151817d3 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.83 CCOc1ccc(cc1)C=O a91e11e6046c836fde6a9c8c50bcee5f [1,1,0,0,0,0|0,0,0]=2 145 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.83 CCOc1ccc(cc1)N=O 225b842c68d4b1757d171cfe2fef0d02 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [1,1,0,0,0,0|1,0,1]=4 148 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.83 CCOc1ccc(cn1)C=O 3b8b64fa974f689fe9a33594fdaa0596 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.83 CCOc1ccc(nc1)C=O 202597c6655fff3a69ca3db66d69956a [1,1,0,0,0,0|1,0,0]=3 151 B11R1.83 CCOc1ccc(nn1)C=O 4e29dcecb02e5059f2afcc4239a5eefc [1,1,0,0,0,0|2,0,0]=4 152 B11R1.83 CCOc1ncc(cn1)C=O 41202a4922bca945b17b16afac38237d [1,1,0,0,0,0|2,0,0]=4 153 B11R1.83 CCc1ccc(cc1)NC=O 3e8610d99c2c76fe0a620af2485f9af7 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [1,1,0,0,0,0|1,0,1]=4 155 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [1,1,0,0,0,0|1,0,1]=4 156 B11R1.83 CCc1ccc(cn1)NC=O 27d6453a5d8b728429751b40bd51b8df [1,1,0,0,0,0|2,0,0]=4 157 B11R1.83 CCc1ccc(nc1)NC=O 18bf2d8c4741781967fd58d448623b4c [1,1,0,0,0,0|2,0,0]=4 158 B11R1.83 COc1ccc(cc1)NC=O ac87369c17c8363b04f17408dd3a8237 [1,1,0,0,0,0|0,0,0]=2 159 B11R1.83 COc1ccc(cc1)NCF d45382bc213abd913ca6658bada7be75 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [1,1,0,0,0,0|0,0,1]=3 161 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.83 COc1ccc(cn1)NC=O d82d033ac2ee0dd752f2c90ad770ea29 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.83 COc1ccc(cn1)NCO 09127ddff408bb354a59d7b9e22d409b [1,1,0,0,0,0|1,0,1]=4 164 B11R1.83 COc1ccc(nc1)NC=O bf678dc9ba2fd7220284555df5bbb75b [1,1,0,0,0,0|1,0,0]=3 165 B11R1.83 COc1ccc(nc1)NCO dd971740949b3bd033bf931487b208d5 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.83 COc1ccc(nn1)NC=O d57c50af40efbef5fe028e399ecea178 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.83 COc1cnc(cn1)NC=O 18dcf3661b6cc15273eda845f3605595 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.83 CSc1ccc(cc1)NC=O 9ba6c9bfa858e9ab1b1e9ea1b6cf97ce [1,1,0,0,0,0|0,1,0]=3 169 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [1,1,0,0,0,0|0,1,1]=4 170 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [1,1,0,0,0,0|2,0,0]=4 171 B11R1.83 CSc1ccc(cn1)NC=O 0995d7efa9e1a7f8f39f3d0d10cb504d [1,1,0,0,0,0|1,1,0]=4 172 B11R1.83 N#Cc1ccc(cc1)OCF bcd0ae2cb5810bd40e4bba884acde04f [1,1,0,0,0,0|1,0,1]=4 173 B11R1.83 O=CNc1ccc(cc1)CO 02da734ee2802902e3cce3607911d666 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.83 O=Cc1ccc(cc1)NCF 6e9507808f661692c4995ce01d7149d7 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.83 O=Cc1ccc(cc1)NCO 5d1b19988396e75b9401946c178d10c0 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.83 O=Cc1ccc(cc1)OCF 1650bb97f47d4d35a5c8149a03d0d3f8 [1,1,0,0,0,0|0,0,0]=2 177 B11R1.83 O=Cc1ccc(cn1)NCF 72bc126bbd4bfcffb3b226662f3e38c0 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.83 O=Cc1ccc(cn1)NCO 788d6f4633f44c97a001f4d759d59a7c [1,1,0,0,0,0|2,0,0]=4 179 B11R1.83 O=Cc1ccc(cn1)OCF c94a6b209178c693c56e3e32144380b4 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.83 O=Cc1ccc(nc1)NCF f1bfde05b648245a2d8978d1a14a3f7a [1,1,0,0,0,0|2,0,0]=4 181 B11R1.83 O=Cc1ccc(nc1)NCO 7224f6f28fcf8d6ba77bb1da54e1ed73 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.83 O=Cc1ccc(nc1)OCF 10cafffee4c0f03191e10584fbcd9110 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.83 O=Cc1ccc(nn1)OCF 8023d036d6e772af3543aa1f2257f039 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.83 O=Cc1cnc(nc1)OCF cea295a9d67048c5cfc9951328f365b5 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.83 O=Nc1ccc(cc1)OCF 4703797660d3f0cf5ebd83d127a70814 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.83 OCNc1ccc(cc1)CO 06500d7c83368639569a416a5b107792 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.83 OCc1ccc(cc1)NCF 218f158d350783ab9345a7da23e59114 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [1,1,0,0,0,0|2,0,0]=4 190 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,1,0,0,1,0|2,0,0]=4 192 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,1,0,0,1,0|2,0,0]=4 193 B11R1.124 CCNc1csc(c1)C(=O)O 02903236ea637b7925550221dd745eb6 [0,1,0,0,1,0|2,0,0]=4 194 B11R1.124 CCOc1cc(on1)C(=O)O 8f61c5d148e0409aee74310c0729e9e0 [0,1,0,0,1,0|2,0,0]=4 195 B11R1.124 CCOc1csc(c1)C(=O)O c38a195fe4cc00447bb8290004c881a8 [0,1,0,0,1,0|1,0,0]=3 196 B11R1.124 CCOc1nc(c[nH]1)C(=O)O 79a7724073222cd0aa3a91e55fa82f5e [0,1,0,0,1,0|2,0,0]=4 197 B11R1.124 CCOc1ncc(o1)C(=O)O 3b695c78673ca00bf7de5dcf5207985c [0,1,0,0,1,0|2,0,0]=4 198 B11R1.124 O=C(O)c1c[nH]c(n1)OCF 7436bc3857eb6523f37b4c0627b86d56 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.124 O=C(O)c1cc(c[nH]1)NCF fe113b671133802a0380563834c5431f [0,1,0,0,1,0|2,0,0]=4 200 B11R1.124 O=C(O)c1cc(c[nH]1)NCO 341b8ac1125f3f15bbde278492067a47 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.124 O=C(O)c1cc(cs1)NCF 4d6f80dcb4987ceb0717a266bc65ec90 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.124 O=C(O)c1cc(cs1)NCO 1ab22627027c840a46e7f847ef7cbf24 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.124 O=C(O)c1cc(cs1)OCF 66c1610ad851c25db8d7e73392562ff8 [0,1,0,0,1,0|1,0,0]=3 204 B11R1.124 O=C(O)c1cc(no1)OCF 9acbcaa3e8a72a27de6e5a35990c82a3 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.124 O=C(O)c1ccc([nH]1)NCF 2abd77650feae958a898ee1db3c214ce [0,1,0,0,1,0|2,0,0]=4 206 B11R1.124 O=C(O)c1ccc([nH]1)NCO 1db329be575638887febdf86863cb671 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.124 O=C(O)c1cnc(o1)OCF 87a1c091ed169df1e6212495f2b2cecc [0,1,0,0,1,0|2,0,0]=4 208 B13R1.5 C#CC(=O)Nc1ccc(cc1)CC 5191d139bf54a1d65f9a05794532e8dc [0,1,0,0,0,1|2,0,0]=4 209 B13R1.5 C#CC(=O)Nc1ccc(cc1)SC dbbfcf69efd5c584b4b2aca498848670 [0,1,0,0,0,1|1,1,0]=4 210 B13R1.5 C#CC(=O)Nc1ccc(cn1)OC a0c8f56dc2ce48fcd263da59905b911d [0,1,0,0,0,1|2,0,0]=4 211 B13R1.5 C#CC(=O)Nc1ccc(nc1)OC d7f7d358682844319446aec67cada0d5 [0,1,0,0,0,1|2,0,0]=4 212 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 95762eb3723b1f84d0ad0128a3312ce0 [0,1,0,0,0,1|2,0,0]=4 213 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC c59585c2a73dbf7bdb8eaf9f1ec67bbe [0,1,0,0,0,1|1,0,0]=3 214 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC b14d1625474cb3fe25922f9b2fd819f6 [0,1,0,0,0,1|1,1,0]=4 215 B13R1.5 C=CC(=O)Nc1ccc(cn1)OC d5498a38ece2a3a9bf97fe4d24751208 [0,1,0,0,0,1|2,0,0]=4 216 B13R1.5 C=CC(=O)Nc1ccc(nc1)OC b8748d1c32217dee16374835c7d0ef3f [0,1,0,0,0,1|2,0,0]=4 217 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 7f9b914860a5ff3968189a9bcf123c14 [0,1,0,0,0,1|2,0,0]=4 218 B13R1.5 CCC(=O)Nc1ccc(cn1)OC 07fa037c39e1808587b019170f98741a [0,1,0,0,0,1|2,0,0]=4 219 B13R1.5 CCc1ccc(cc1)NC(=O)C=O 3ec375d5c623ca232ce818ec8fe4d575 [0,1,0,0,0,1|1,0,1]=4 220 B13R1.5 CCc1ccc(cc1)NC(=O)CF 2e25ac30b2722baa91663c022584db93 [0,1,0,0,0,1|2,0,0]=4 221 B13R1.5 CCc1ccc(cc1)NC(=O)CO 500996b13b9aa2f4b5ba6d87aecf1a3d [0,1,0,0,0,1|1,0,0]=3 222 B13R1.5 CCc1ccc(nc1)NC(=O)CO 4a7f3378c7a2a68a964f3b6bae4d0e2f [0,1,0,0,0,1|2,0,0]=4 223 B13R1.5 COc1ccc(cc1)CN(C)C=O 55abd2f6f87391243fe8030bf04d3300 [0,1,0,0,0,1|2,0,0]=4 224 B13R1.5 COc1ccc(cc1)CN(C)CO 005588f2db046fd4c238b5fc233ae007 [0,1,0,0,0,1|2,0,0]=4 225 B13R1.5 COc1ccc(cc1)NC(=O)C=O e4af39298311820a599b7a1eb7e70f02 [0,1,0,0,0,1|0,0,1]=3 226 B13R1.5 COc1ccc(cc1)NC(C)C=O 07bf8bc9c8fdb21748690c6dd1e7338e [0,1,0,0,0,1|1,0,1]=4 227 B13R1.5 COc1ccc(cc1)NC(C)CO 93806937d6aafb69cb39b050e4b899f7 [0,1,0,0,0,1|1,0,1]=4 228 B13R1.5 COc1ccc(cc1)N[C@@H](C)CO 4073b5c366af28a2a4b83c690d9a0704 [0,1,0,0,0,1|1,0,1]=4 229 B13R1.5 COc1ccc(cc1)N[C@H](C)C=O 599a3db48368161836ab024f53fd3be8 [0,1,0,0,0,1|1,0,1]=4 230 B13R1.5 COc1ccc(cc1)N[C@H](C)CO e4e59eb42baeb2111a01ce947e26dab7 [0,1,0,0,0,1|1,0,1]=4 231 B13R1.5 COc1ccc(cc1)OC(C)C=O f528eae82d204fc6b15e94884f956d1c [0,1,0,0,0,1|1,0,1]=4 232 B13R1.5 COc1ccc(cc1)O[C@H](C)C=O 50ee912bd8f12762c8bfb8bc1f9178ca [0,1,0,0,0,1|1,0,1]=4 233 B13R1.5 COc1ccc(cn1)NC(=O)C=O 7c187c134b344da10005e4ed2cd631ea [0,1,0,0,0,1|1,0,1]=4 234 B13R1.5 COc1ccc(nc1)NC(=O)C=O 1bf7242f0413bbd9fa57e0cb4bc18cbe [0,1,0,0,0,1|1,0,1]=4 235 B13R1.5 COc1ccc(nc1)NC(=O)CF 52f0d3ba7289364fd6869901dfeb4e9b [0,1,0,0,0,1|2,0,0]=4 236 B13R1.5 COc1ccc(nc1)NC(=O)CO a71b2d1c972d687f7381d82d0e7cea4d [0,1,0,0,0,1|1,0,0]=3 237 B13R1.5 COc1ccc(nc1)NC(=O)CS e77ebe67902ec8570eea366af9ca6007 [0,1,0,0,0,1|1,1,0]=4 238 B13R1.5 COc1ccc(nn1)NC(=O)CO 6fb5ec209f2514b6cc920e363b5c2629 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.5 CSc1ccc(cc1)NC(=O)C=O 94a52460817cafe2a6f065b25f008172 [0,1,0,0,0,1|0,1,1]=4 240 B13R1.35 COc1ccc(cc1I)NC(=O)C da0ace714ced699435f8780b1d8a9450 [0,1,0,0,0,1|1,0,0]=3 241 B13R1.35 COc1ccc(cc1O)NC(=O)C 27db663d7df404e2b29bc609498e05b4 [0,1,0,0,0,1|1,0,0]=3 242 B13R1.35 CSc1ccc(cc1F)NC(=O)C 0bde70bc20b3e5be83ddbd5332de3034 [0,1,0,0,0,1|1,1,0]=4 243 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 5c451366eb01aa010a2709b6ea79b3bc [0,1,0,0,0,1|1,0,0]=3 244 B13R1.36 COc1ccc(cn1)N(C)C(=O)C 134b0d63adea15554d646b4079646d86 [0,1,0,0,0,1|2,0,0]=4 245 B13R1.36 COc1ccc(nc1)N(C)C(=O)C 49f45fa6564e935865ce152b7c1ecedb [0,1,0,0,0,1|2,0,0]=4 246 B13R1.36 CSc1ccc(cc1)N(C)C(=O)C 2ba01940f0e82ed7014b4b536ec423ef [0,1,0,0,0,1|1,1,0]=4 247 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 75fc1214a99a678f4166f0b9f700f5f8 [0,1,0,0,0,1|1,0,0]=3 248 B13R1.142 CC(=O)Nc1ccc(cc1)CCBr 56b3f8581e1cfacfd9bb71ea371c32f7 [0,1,0,0,0,1|2,0,0]=4 249 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 78bb66b7ff3716af0872f5ca85176c53 [0,1,0,0,0,1|2,0,0]=4 250 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 7aac4b02c41272eff41f2280e6e09b57 [0,1,0,0,0,1|2,0,0]=4 251 B13R1.142 CC(=O)Nc1ccc(cc1)NCO 34337ec7b494398e81fc568640e5e9ad [0,1,0,0,0,1|2,0,0]=4 252 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 715a040b12cbfea9597b85337449d8fe [0,1,0,0,0,1|1,0,0]=3 253 B13R1.142 CC(=O)Nc1ccc(cn1)OCF c675fb5991c13d123ebc6c62934b4eeb [0,1,0,0,0,1|2,0,0]=4 254 B13R1.142 CC(=O)Nc1ccc(nc1)OCF 95bafe9fd3ffee584e8117abba96d940 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.142 CC(=O)Oc1ccc(cc1)NCF c8a42ff2bf4b244c3d455b22b5be46d6 [0,1,0,0,0,1|2,0,0]=4 256 B13R1.142 CC(=O)Oc1ccc(cc1)NCO 764aa50059768f0f077d99ca40a2d847 [0,1,0,0,0,1|2,0,0]=4 257 B13R1.142 CC(=O)Oc1ccc(cc1)OCF 88ed36f87e4ffef0ec393abd77b71834 [0,1,0,0,0,1|1,0,0]=3 258 B13R1.142 CCCc1ccc(cc1)NC(=O)C 4344993057e564a1d0571b36936ffa47 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2b8a09d391ff29d566f822c5cd9d3bc8 [0,1,0,0,0,1|2,0,0]=4 260 B13R1.142 CCNc1ccc(cc1)CC(=O)O 2cc3a05f04e8b5e750f83d826d47f288 [0,1,0,0,0,1|1,0,0]=3 261 B13R1.142 CCNc1ccc(cc1)NC(=O)C 5cd8c0f2190696e6f0d15e9a0961df41 [0,1,0,0,0,1|2,0,0]=4 262 B13R1.142 CCNc1ccc(cc1)NC(=O)N 2312de0633b0f68531676843cc83015c [0,1,0,0,0,1|2,0,0]=4 263 B13R1.142 CCNc1ccc(cc1)OC(=O)C a1d0aad4683dd3b385d0e29fe7f5919e [0,1,0,0,0,1|2,0,0]=4 264 B13R1.142 CCNc1ccc(cn1)CC(=O)O 50308e5d6db153ef483303afbd0f93f3 [0,1,0,0,0,1|2,0,0]=4 265 B13R1.142 CCOc1ccc(cc1)CC(=O)C d80e0580aaa0797b2b307176797c60e8 [0,1,0,0,0,1|1,0,0]=3 266 B13R1.142 CCOc1ccc(cc1)CC(=O)N eb659dcc5323b7c328435d8368fef1c1 [0,1,0,0,0,1|1,0,0]=3 267 B13R1.142 CCOc1ccc(cc1)CC(=O)O 3e3f9ad058692ade9bce9ac403466c1d [0,1,0,0,0,1|0,0,0]=2 268 B13R1.142 CCOc1ccc(cc1)NC(=O)C ea4e3cc9a585eaba961ba701c8f21158 [0,1,0,0,0,1|1,0,0]=3 269 B13R1.142 CCOc1ccc(cc1)NC(=O)N f904d36d79f59f4e8042184805b17a69 [0,1,0,0,0,1|1,0,0]=3 270 B13R1.142 CCOc1ccc(cc1)NC(=S)N 0bf6e6a1ef28c45f907b0a60f0ae0962 [0,1,0,0,0,1|1,1,0]=4 271 B13R1.142 CCOc1ccc(cc1)OC(=O)C 52c79dd603bbd283f78b093adeb4e062 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.142 CCOc1ccc(cn1)CC(=O)O fb714ed27847999764d0be56c74ed84e [0,1,0,0,0,1|1,0,0]=3 273 B13R1.142 CCOc1ccc(cn1)NC(=O)C afe9300fce19dbf64212781359c1e083 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.142 CCOc1ccc(nc1)CC(=O)O 93b553dee4c522a44c79c5e389df2787 [0,1,0,0,0,1|1,0,0]=3 275 B13R1.142 CCOc1ccc(nc1)NC(=O)C 9f7c81dfd983756e01124e62d3e776d7 [0,1,0,0,0,1|2,0,0]=4 276 B13R1.142 COCc1ccc(cc1)NC(=O)C 465513ec488266f4aa1a92c09f4bab5c [0,1,0,0,0,1|1,0,0]=3 277 B13R1.142 CSCc1ccc(cc1)NC(=O)C 932de68c2db355302ae9f9c40c8d5520 [0,1,0,0,0,1|1,1,0]=4 278 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 0b7ab8deee11b958de8d6bed8d4b3a11 [0,1,0,0,0,1|2,0,0]=4 279 B13R1.142 NC(=O)Cc1ccc(cc1)NCO fa357fdf96865eb1828966b88a4108c9 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 454d7470c37e39a17f72633e6c68e8ed [0,1,0,0,0,1|1,0,0]=3 281 B13R1.142 NC(=O)Nc1ccc(cc1)NCF 59af92040d4471f66e583d87be8226c2 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.142 NC(=O)Nc1ccc(cc1)NCO e71d55555b6346dc976e5a49255b0028 [0,1,0,0,0,1|2,0,0]=4 283 B13R1.142 NC(=O)Nc1ccc(cc1)OCF 13d1939bf8cad471a3e78de2a5366f49 [0,1,0,0,0,1|1,0,0]=3 284 B13R1.142 NC(=S)Nc1ccc(cc1)OCF 2c029396789159c0c168646f4d2dc17c [0,1,0,0,0,1|1,1,0]=4 285 B13R1.142 O=C(O)Cc1ccc(cc1)NCF d60fd0028d7ed257ccc9c8d6a051d87c [0,1,0,0,0,1|1,0,0]=3 286 B13R1.142 O=C(O)Cc1ccc(cc1)NCO 938ffa4f29c5f5ea03e8fcfa34f51252 [0,1,0,0,0,1|1,0,0]=3 287 B13R1.142 O=C(O)Cc1ccc(cc1)OCF 7d39c98a593b15cc1517e1ce3c1d0653 [0,1,0,0,0,1|0,0,0]=2 288 B13R1.142 O=C(O)Cc1ccc(cn1)OCF e6a4b4fda041d407e237f0461c6492e6 [0,1,0,0,0,1|1,0,0]=3 289 B13R1.142 O=C(O)Cc1ccc(nc1)NCF c7763b20e4b41dcbf1c45b82a7a78042 [0,1,0,0,0,1|2,0,0]=4 290 B13R1.142 O=C(O)Cc1ccc(nc1)NCO c7591ef1a3b03385c53ec92083d1228a [0,1,0,0,0,1|2,0,0]=4 291 B13R1.142 O=C(O)Cc1ccc(nc1)OCF be6d70821e5b34c70c68a1dbefba2994 [0,1,0,0,0,1|1,0,0]=3 292 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 32caac7d87eeae7a025e3ee6687b2850 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C d69fa97fc4a4305ce0050d7c306b3175 [0,1,0,0,0,1|2,0,0]=4 294 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O e4a36c586b03183d6f5fc5ca3db7be98 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 9224b779d24fd42c0f938d6018c85b85 [0,1,0,0,0,1|2,0,0]=4 296 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)C 017ee44542dbc7d3503c695d35fd9b6a [0,1,0,0,0,1|1,1,0]=4 297 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 574644c4313129a0c733f3928cdec6f0 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 063009308fcdff906122b9689af241f5 [0,1,0,0,0,1|2,0,0]=4 299 B13R1.653 CCc1ccc(c(c1)Cl)NC(=O)C 380a09469c322e675b7430a4de4b8d41 [0,1,0,0,0,1|2,0,0]=4 300 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 21d519050aa49354cf6105633162f601 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.653 CCc1ccc(c(c1)I)NC(=O)C 58612dafbe99a651fbb1210625b60d37 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C d782d1d64ad0625c440725467d7d92d8 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 96b72a58a5b5497df1a42bfd2ba68a1b [0,1,0,0,0,1|1,0,0]=3 304 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 90b0cacdcf4b06ee2d4df8016971434d [0,1,0,0,0,1|1,0,0]=3 305 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 8e281b347dbd1df8119bc78f2a9262e2 [0,1,0,0,0,1|1,0,0]=3 306 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 748bbdd0efb73e4b803ccaac8f688290 [0,1,0,0,0,1|1,0,0]=3 307 B13R1.653 COc1ccc(c(c1)I)NC(=O)C f4fb26487031e5f7602349064b2e5b00 [0,1,0,0,0,1|1,0,0]=3 308 B13R1.653 COc1ccc(c(c1)O)NC(=O)C b85b0dfcba0f6b91fd4f842ed915624e [0,1,0,0,0,1|1,0,0]=3 309 B13R1.653 COc1ccc(c(c1)S)NC(=O)C aed963e0e9c0d47f9b85df51fd70b499 [0,1,0,0,0,1|1,0,0]=3 310 B13R1.653 COc1ccc(c(n1)C)NC(=O)C ec19001e1691729f4cd986aefcc593c0 [0,1,0,0,0,1|2,0,0]=4 311 B13R1.653 COc1ccc(c(n1)F)NC(=O)C c8ffb6468cafe60815c4118afdff8727 [0,1,0,0,0,1|2,0,0]=4 312 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 075b1c968e91f2e2eeb698290295455a [0,1,0,0,0,1|1,1,0]=4 313 B13R1.39 CCN(C=O)c1ccc(cc1)OC 9f82661be903fe49951d168600e2be9a [0,2,0,0,0,0|2,0,0]=4 314 B13R1.39 CCN(CO)c1ccc(cc1)OC affc5e899edb27f6df9f6f8c7902336a [0,2,0,0,0,0|2,0,0]=4 315 B13R1.139 CCC(=O)c1ccc(cc1)NCF 10c4ad392622cfb0bbbe40aa4cf73106 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.139 CCC(=O)c1ccc(cc1)NCO 60ac01c879360b096e535e18dbf45c70 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.139 CCC(=O)c1ccc(cc1)OCF 90c6abc59b2cdb6e05c7332d51c11653 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.139 CCNc1ccc(cc1)C(=O)CBr 2dd7f1a931a30acbbaab76ace3039495 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.139 CCNc1ccc(cc1)C(=O)CC fb0d18d6708af4bdae4dcbc0fb414e98 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.139 CCNc1ccc(cc1)C(=O)CCl 8e03f31848d3898b7ee4129ff58c354c [0,2,0,0,0,0|2,0,0]=4 321 B13R1.139 CCNc1ccc(cc1)C(=O)NC a474f315e31d85e56071342a48676a90 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.139 CCNc1ccc(cc1)C(=O)NO a885b514333705c0e496e30339a53a0c [0,2,0,0,0,0|1,0,0]=3 323 B13R1.139 CCNc1ccc(cc1)C(=O)OC dd765f1276ed909864650b10aee486d3 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.139 CCNc1ccc(cn1)C(=O)OC c1cbb2fcf564e5852bd33d12170957f9 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.139 CCNc1ccc(nc1)C(=O)OC e6acbeb658e178f842a0f5b4c84ecf8d [0,2,0,0,0,0|2,0,0]=4 326 B13R1.139 CCOc1ccc(cc1)C(=O)C=O e402546743b3af85269acdc7a70581f2 [0,2,0,0,0,0|0,0,1]=3 327 B13R1.139 CCOc1ccc(cc1)C(=O)CC c9a13db665da42a8ebb2ea15795d22cc [0,2,0,0,0,0|1,0,0]=3 328 B13R1.139 CCOc1ccc(cc1)C(=O)CF 73cb92f4d5260b2655adf607b2b5e5b5 [0,2,0,0,0,0|1,0,0]=3 329 B13R1.139 CCOc1ccc(cc1)C(=O)NC 5853460c3dd0b1088b7fd97b1c7c358b [0,2,0,0,0,0|1,0,0]=3 330 B13R1.139 CCOc1ccc(cc1)C(=O)OC 3e75b53a78270d5f6be841a8e24f6c96 [0,2,0,0,0,0|0,0,0]=2 331 B13R1.139 CCOc1ccc(cc1)C(C)OC be3b3531e6fc70e14245bfd3ab41cb9f [0,2,0,0,0,0|1,0,1]=4 332 B13R1.139 CCOc1ccc(cc1)N(C)C=O 7ba67980bd906f5e94fc50677cf9e0e8 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.139 CCOc1ccc(cc1)N(C)CO 0c0894a3c149ab61b4bed4b993fe5dc3 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.139 CCOc1ccc(cn1)C(=O)OC 3a94a619d244fabbc6bdcd415d780846 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.139 CCOc1ccc(nc1)C(=O)NC 3fdb483eeb44ee45126f0d3dd5948bc4 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.139 CCOc1ccc(nc1)C(=O)OC 72adae7af16f04d0a06a199a7e30827c [0,2,0,0,0,0|1,0,0]=3 337 B13R1.139 CCOc1cnc(cn1)C(=O)OC 4f9b4131adf13675cf9ebf11d74bc434 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.139 CNC(=O)c1ccc(cc1)NCF 3f2e69ce2094ad42d3e17bd9a76e63b6 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.139 CNC(=O)c1ccc(cc1)NCO 4ef5e680f08fa72cd1e1de455607051b [0,2,0,0,0,0|2,0,0]=4 340 B13R1.139 CNC(=O)c1ccc(cc1)OCF 942e450b43b741a5bd331eb96f694f3b [0,2,0,0,0,0|1,0,0]=3 341 B13R1.139 CNC(=O)c1ccc(cn1)OCF ab8fc17918d339040c67dd3012dac6c9 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.139 COC(=O)c1ccc(cc1)NC=O a7f77b659cc95a724807a56763ed8c9e [0,2,0,0,0,0|1,0,1]=4 343 B13R1.139 COC(=O)c1ccc(cc1)NCF 28ae02c79ce29e5667b6136a2cacc145 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.139 COC(=O)c1ccc(cc1)NCO ad3bcda557c4b3729ee186a87dd55061 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.139 COC(=O)c1ccc(cc1)OCF 64bd49f85dded0f4c34376fa8cb228c7 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.139 COC(=O)c1ccc(cn1)NCF dac8fdcbfa630670f0a6132765843878 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.139 COC(=O)c1ccc(cn1)NCO eef64927b9f997b15c2337b400c1266c [0,2,0,0,0,0|2,0,0]=4 348 B13R1.139 COC(=O)c1ccc(cn1)OCF 5267354e48260a30702decd84aedf883 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.139 COC(=O)c1ccc(nc1)NCF b08d9e8d93686b8770ec8097450f65aa [0,2,0,0,0,0|2,0,0]=4 350 B13R1.139 COC(=O)c1ccc(nc1)NCO e36f40f66b49accbbf3052bc7f634546 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.139 COC(=O)c1ccc(nc1)OCF 0a7f8bd089758882d20fd090ade6f639 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.139 COC(=O)c1cnc(cn1)OCF 6c87733986a99fa5e9d895e78947cac0 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.139 COC(C)c1ccc(cc1)OCF 85d3d5779161ba9367ec507e162402be [0,2,0,0,0,0|1,0,1]=4 354 B13R1.139 N#CNc1ccc(cc1)C(=O)CO 299b1c251bb7b9a4829cc4caebdf92a1 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.139 O=C(CBr)c1ccc(cc1)NCF 02d17087a8c9d32835cf0d47dca2862b [0,2,0,0,0,0|2,0,0]=4 356 B13R1.139 O=C(CBr)c1ccc(cc1)NCO 1a018b17483952b543472d353be9a150 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.139 O=C(CCl)c1ccc(cc1)NCF ff4f4714ce60ebdf261be95673aa7b83 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.139 O=C(CCl)c1ccc(cc1)NCO 5e5bbd239df91e2e61bea82c14f5b83c [0,2,0,0,0,0|2,0,0]=4 359 B13R1.139 O=C(CF)c1ccc(cc1)OCF 47744e0bce1c4a38e0e9a811276945c3 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.139 O=C(NO)c1ccc(cc1)NCF 9d91ee4426a41b6c234033775dc00bb5 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.139 O=C(NO)c1ccc(cc1)NCO 5a839685023a43ca4a1c3a01372c0adf [0,2,0,0,0,0|1,0,0]=3 362 B13R1.139 O=CC(=O)c1ccc(cc1)OCF 4993072541c46e86f1c3d6cbce41fcab [0,2,0,0,0,0|0,0,1]=3 363 B13R1.139 O=CNc1ccc(cc1)C(=O)NO 18495d8f4328ff7d06531502bbac55f3 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.452 CCOC(C)c1ccc(cc1)OC 6815227232f6d62e2adb1f96631f2865 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.452 CCO[C@@H](C)c1ccc(cc1)OC bdcca3470d37aa2e7256815bdedf6a44 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.452 CCO[C@H](C)c1ccc(cc1)OC b3e6053607f0fd5e6a1b84492611236d [0,2,0,0,0,0|1,0,1]=4 367 B13R1.452 CCc1ccc(cc1)C(=O)NC#N 1d37ff32ff965f1291c8527a9bd8ea70 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.452 COCN(C)c1ccc(cc1)OC 8ce0cb53b0c9bf71013e23b107379c16 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.452 COc1ccc(cc1)C(=O)NC#N d0ce0828a049d3d5e042494aafa71935 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.452 COc1ccc(cc1)C(C)NC=O c8ae62a39aa70763e81012ece956898f [0,2,0,0,0,0|1,0,1]=4 371 B13R1.452 COc1ccc(cc1)C(C)NCO 7a5e094fc120ce1fcd472d52098a4776 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.452 COc1ccc(cc1)C(C)OCF 74ca4a65b1d0d544c1b93e708ef79eac [0,2,0,0,0,0|1,0,1]=4 373 B13R1.452 COc1ccc(cc1)N(C)CC=O 72e6bb368849c9cfb445d00305454753 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.452 COc1ccc(cc1)N(C)CCO 437c2c205354fd2e86c742c8ab1d2ca0 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.452 COc1ccc(cc1)[C@@H](C)NC=O 9162d72aa686cb662bd77f11a9e8e3e2 [0,2,0,0,0,0|1,0,1]=4 376 B13R1.452 COc1ccc(cc1)[C@@H](C)NCO db38d244feb4988238d6515c7c61fd64 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.452 COc1ccc(cc1)[C@@H](C)OCF 1f413372265094a34268fb31188c2b61 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.452 COc1ccc(cc1)[C@H](C)NC=O 99b3cd220661aa1240085f91f9600f56 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.452 COc1ccc(cc1)[C@H](C)NCO 18a0494f682db88de11f449e4f27de19 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.452 COc1ccc(cc1)[C@H](C)OCF 2236302ecd398ed665aa735ad72bd989 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.452 COc1ccc(cn1)C(=O)NC#N 3d98f758720255b782be1e826ad93f82 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.452 COc1ccc(nc1)C(=O)NC#N f7669993826ae2188abb342bcc3c2b3d [0,2,0,0,0,0|2,0,0]=4 383 B13R1.452 CSc1ccc(cc1)C(=O)NC#N 37aa55c8dce7b12c44576531f144a531 [0,2,0,0,0,0|1,1,0]=4 384 B13R1.537 CC(=O)c1ccc(cc1)N(C)C=O 48b14a45b70097568ca7f160e0b4be75 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.537 CC(=O)c1ccc(cc1)N(C)CF efb2648ef079afbb9b48bc70d2551b3c [0,2,0,0,0,0|2,0,0]=4 386 B13R1.537 CC(=O)c1ccc(cc1)N(C)CO 5672554f1c5d29a42e173924a38ca34e [0,2,0,0,0,0|2,0,0]=4 387 B13R1.537 CCN(C)c1ccc(cc1)C(=O)C 78ddd4c7fae1a16b1e2f19c51d9818c2 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 21baacd2bde08ec83bd2b5f9f42d5e2f [0,2,0,0,0,0|1,0,0]=3 389 B13R1.537 CCN(C)c1ccc(cn1)C(=O)O 22aa85ad68d4fb4ac9b18f2a821b3853 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.537 CCN(C)c1ccc(nc1)C(=O)O 4e2ed161ba8295bef684bf7432848770 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.537 CN(CF)c1ccc(cc1)C(=O)O 27478041a2682924d0c652648e3d9ed0 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.537 CN(CF)c1ccc(cn1)C(=O)O 0626b6d3b7d0f33f9fd6406b62c1ea3d [0,2,0,0,0,0|2,0,0]=4 393 B13R1.537 CN(CF)c1ccc(nc1)C(=O)O 609a70bd51bf6a39efd3c27248967405 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.537 CN(CO)c1ccc(cc1)C(=O)O 64a4f73086cfd6c6c1cf7acd3820c788 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.537 CN(CO)c1ccc(cn1)C(=O)O 605f4596cdebb770455158f5d7459856 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.537 CN(CO)c1ccc(nc1)C(=O)O 56a731156d418b31cc9d713b1ad7cf4e [0,2,0,0,0,0|2,0,0]=4 397 B13R1.3088 COc1ccc(cc1F)N(C)C=O 78a3d856319a87172b1f32adceae277b [0,2,0,0,0,0|2,0,0]=4 398 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)O 679432178f1969127b74b75f8248b69e [0,2,0,0,0,0|2,0,0]=4 399 B13R1.140 CCOc1ccc(cc1)S(=N)(=O)C d70db655677c3668a35da380035704e6 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C c21e6bc041b69b216c4aac4be1e844d3 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)O 33ea47da5f00ace027d3ee5298a7fcaf [0,2,0,0,0,0|1,0,0]=3 402 B13R1.140 CCOc1ccc(cn1)S(=O)(=O)O 69b3de1f417445c544356009a9f64826 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.140 CS(=N)(=O)c1ccc(cc1)OCF c7e7e02133c6b909995b735e4b67732b [0,2,0,0,0,0|2,0,0]=4 404 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 0c78255b820b8f1c3dbadaabc1c778fa [0,2,0,0,0,0|1,0,1]=4 405 B13R1.140 O=S(=O)(O)c1ccc(cc1)NCF 7e5ad124dda259c8ff4a7a3633b1781b [0,2,0,0,0,0|2,0,0]=4 406 B13R1.140 O=S(=O)(O)c1ccc(cc1)NCO b85acfa012fed63c172979c1df0efe7c [0,2,0,0,0,0|2,0,0]=4 407 B13R1.140 O=S(=O)(O)c1ccc(cc1)OCF eb9b628515965d62184b98640048c338 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.140 O=S(=O)(O)c1ccc(nc1)OCF e1849d25b88b91df7891dda3e3ecf2ff [0,2,0,0,0,0|2,0,0]=4 409 B13R1.144 CC(=O)c1ccc(c(c1)Br)NCF e73f795b14fc150ac1ac6eebb82e2247 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.144 CC(=O)c1ccc(c(c1)Br)NCO 893afe91df243fc09a8f248969890529 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF aa5284a7a5c9b508fb6cb612338b583e [0,2,0,0,0,0|1,0,0]=3 412 B13R1.144 CC(=O)c1ccc(c(c1)C)NCF 0c6fc7d7e4026c4a5847a6eb317ac513 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.144 CC(=O)c1ccc(c(c1)C)NCO 9c31bd05cc29e9173802a63625248498 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 0ab1364512284ca1119e55ae03b15c59 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.144 CC(=O)c1ccc(c(c1)Cl)NCF 563d6d4434618f609a1143eb2f96d1b4 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.144 CC(=O)c1ccc(c(c1)Cl)NCO eec297d8fdcede6fe09090ba77811d89 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 708e73d5ce7eed48a12e9130b81a3fd4 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.144 CC(=O)c1ccc(c(c1)F)NCF 326f9fc4691fc33b85b7d211c661b459 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.144 CC(=O)c1ccc(c(c1)F)NCO fd2465bc95db3f4752598a44aefce58c [0,2,0,0,0,0|2,0,0]=4 420 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 8ecdc65e0b7d7efe30bc2f35fd76faf4 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.144 CC(=O)c1ccc(c(c1)I)NCF afe738461145933e2e28be81f3e4adbd [0,2,0,0,0,0|2,0,0]=4 422 B13R1.144 CC(=O)c1ccc(c(c1)I)NCO 2c2d73c79d15a62795ba5912b781fa4e [0,2,0,0,0,0|2,0,0]=4 423 B13R1.144 CC(=O)c1ccc(c(c1)I)OCF 70c981f998e785000d974f3ca2bf8ea5 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.144 CCNc1ccc(cc1Br)C(=O)C 52d133c7816a1bcd2a4a51e78951c9dc [0,2,0,0,0,0|2,0,0]=4 425 B13R1.144 CCNc1ccc(cc1C)C(=O)C 488465bd577fa8c5af674a02fcc7d5dc [0,2,0,0,0,0|2,0,0]=4 426 B13R1.144 CCNc1ccc(cc1C)C(=O)N 472dd55ae7b906e9d9bd13144ef30cd0 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.144 CCNc1ccc(cc1C)C(=O)O b854bad33730ae2d4fe467b0e18e19ad [0,2,0,0,0,0|1,0,0]=3 428 B13R1.144 CCNc1ccc(cc1Cl)C(=O)C 8724bcc30878d54b0342562e675cb4c6 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.144 CCNc1ccc(cc1Cl)C(=O)N ef6c34d8c839ec0f5c1a7c0790155ddf [0,2,0,0,0,0|2,0,0]=4 430 B13R1.144 CCNc1ccc(cc1Cl)C(=O)O 940de300ef7671e7b2aceeef6547c9a4 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.144 CCNc1ccc(cc1F)C(=O)C 6d033e2fc3ba1a5975973d7d79abb752 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.144 CCNc1ccc(cc1F)C(=O)N f37fa70d2fc284d363fe7b5f81eb5c98 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.144 CCNc1ccc(cc1F)C(=O)O 0dc314c23a838031994925f71bd02491 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.144 CCNc1ccc(cc1I)C(=O)C 109e45e10f99347785cf1e5dc4cefaf3 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.144 CCNc1ccc(cc1I)C(=O)O 6a0daac9010a57916dfbd910291b1f90 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.144 CCNc1ccc(cc1S)C(=O)O accd5ddf52a8cc28b547bc32ab534006 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.144 CCNc1ccc(nc1Br)C(=O)O 017000cff46d911aa4f2887602d47d40 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.144 CCNc1ccc(nc1C)C(=O)O 08936b29a6bff10fe3edc96dfdac6ac6 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.144 CCNc1cnc(cc1Cl)C(=O)O d1ac0fd4cf5ebb67c66591470bc8ba40 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.144 CCNc1ncc(cc1Br)C(=O)O 4d846e771854605f6c3edd5fc2815667 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.144 CCNc1ncc(cc1C)C(=O)O 4ac5707e18ac7cdfb5612682414aca05 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.144 CCNc1ncc(cc1Cl)C(=O)O 011f37dcc176328bc4681f5d87ef51f6 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.144 CCNc1ncc(cc1I)C(=O)O 5ef3de8b689b9325bb6c7b94387fdb06 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.144 CCOc1c[nH]c(cc1=O)C(=O)O 860ccaa010377fcb9742edab81fca52d [0,2,0,0,0,0|1,0,0]=3 445 B13R1.144 CCOc1ccc([nH]c1=O)C(=O)O ac3682609ca2d0654b86f0d9a6d19e43 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 37366e69aa06d235551f196b333b87f6 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.144 CCOc1ccc(cc1Br)C(=O)O 0aa5e693426ef588af2fe1ff79b22635 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] be3b16cca4cce559753faa725217534c [0,2,0,0,0,0|1,0,1]=4 449 B13R1.144 CCOc1ccc(cc1C)C(=O)C 5ec93fa03e5772b5e7e31f41d61e9cc3 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.144 CCOc1ccc(cc1C)C(=O)O 32acfe0f4b7fc35798658badc69a7eb5 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 7fe7a72ec166628b4f5c8a455efec8b2 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 328e874f3726138f9f5741c6d63c62e1 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N f5dd631230a04ec11f40f4a558b011b6 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.144 CCOc1ccc(cc1Cl)C(=O)O 396bb42ce88311f3e8136ebd01914ddd [0,2,0,0,0,0|0,0,0]=2 455 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 82da07949476c25a8baa84e9b38a2f41 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.144 CCOc1ccc(cc1F)C(=O)C c4fd916d14407dcd7221571f18d86e7d [0,2,0,0,0,0|1,0,0]=3 457 B13R1.144 CCOc1ccc(cc1F)C(=O)N 572ebef8a5c63c3b3abc270deb552aa9 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.144 CCOc1ccc(cc1F)C(=O)O 6d746e467f03a426fce23d1ad1016290 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 4cd36de96f90edf4cd5cf772f642ba37 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.144 CCOc1ccc(cc1I)C(=O)C 5fa21174a2bcc4284192ea1612413af8 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.144 CCOc1ccc(cc1I)C(=O)O 9da912edce5b497a73785926a526bf8d [0,2,0,0,0,0|0,0,0]=2 462 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 014d75f1923d4d30bb9e2c307a1d3efb [0,2,0,0,0,0|1,0,1]=4 463 B13R1.144 CCOc1ccc(nc1C)C(=O)O 41aed61675c1e4eaecda75c0f03c4041 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.144 CCOc1ccc(oc1=O)C(=O)O 26b2c9606d359a437753574826a9d63a [0,2,0,0,0,0|1,0,0]=3 465 B13R1.144 CCOc1cnc(cc1Cl)C(=O)O d3ab0df5c16f8b27c007c2c59b184327 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.144 CCOc1ncc(cc1Br)C(=O)O a38b16332b65c6ba697dfb3a21ac0e49 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.144 CCOc1ncc(cc1C)C(=O)O c63a870e819013af098e8f0c401a6fb8 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.144 CCOc1ncc(cc1Cl)C(=O)O e4d846144ef3f4dd7d87337618647ff8 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.144 CCOc1ncc(cc1F)C(=O)O 6ef2ad0cf61b61aafca9a61a633d82ef [0,2,0,0,0,0|1,0,0]=3 470 B13R1.144 Cc1cc(ccc1NCO)C(=O)N 985918eb007de0d5eba88ca8fd8eedc4 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.144 Cc1cc(ccc1NCO)C(=O)O 14acfca67170b03b27d1f1e7fcb1d740 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.144 Cc1cc(ccc1OCF)C(=O)O e3dea4047898c96750b7484e02e625ed [0,2,0,0,0,0|0,0,0]=2 473 B13R1.144 Cc1cc(cnc1NCF)C(=O)O d7c7a1e7c0d63c8f85aaa2b97828c162 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.144 Cc1cc(cnc1NCO)C(=O)O cbfbbcf2a14855259053ad39c8cdc5cb [0,2,0,0,0,0|2,0,0]=4 475 B13R1.144 Cc1cc(cnc1OCF)C(=O)O 9c9d74dbf1341f53d3b4cb26ff5c23fe [0,2,0,0,0,0|1,0,0]=3 476 B13R1.144 Cc1nc(ccc1NCF)C(=O)O 26c52d476a1e357b64e9a0ba0665f2d2 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.144 Cc1nc(ccc1NCO)C(=O)O 20fa3e6b494296c16f43881ecb627233 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.144 Cc1nc(ccc1OCF)C(=O)O 9d067b760be59d5b6af61d4ad8aabcfa [0,2,0,0,0,0|1,0,0]=3 479 B13R1.144 NC(=O)c1ccc(c(c1)Cl)NCF 2264cd25eacaadbc0853bbb83b6a2358 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.144 NC(=O)c1ccc(c(c1)Cl)NCO 449de751b2a2cb3a7111c201ce616f4f [0,2,0,0,0,0|2,0,0]=4 481 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 27a4d17eaeaabea4a21e64341586f717 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.144 NC(=O)c1ccc(c(c1)F)NCF a16220b8342843d867f68c1459c07a01 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.144 NC(=O)c1ccc(c(c1)F)NCO 8da41c0ce4ae7a3d5d061b522cbdb8e9 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.144 NC(=O)c1ccc(c(c1)F)OCF 82d0010b1bf38d08b03f8258b3e18e9e [0,2,0,0,0,0|1,0,0]=3 485 B13R1.144 O=C(O)c1cc(=O)c(c[nH]1)OCF 32c8c533875c539ce55286d3524333e4 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.144 O=C(O)c1cc(c(cn1)NCF)Cl ff1813fb62689cda7738135387197664 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.144 O=C(O)c1cc(c(cn1)NCO)Cl 8dd530cd786bac09566ba0ce28e4b716 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.144 O=C(O)c1cc(c(cn1)OCF)Cl fb9fc824a1748c42d1c2caa557179fde [0,2,0,0,0,0|1,0,0]=3 489 B13R1.144 O=C(O)c1ccc(c(=O)[nH]1)OCF f8f645d2b9b5ec5f2c052ca7ac5727c0 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.144 O=C(O)c1ccc(c(=O)o1)OCF 40a0de7a70e67fe9af6d1704ec35ded9 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.144 O=C(O)c1ccc(c(c1)Br)OCF 775e0e697eb48aca68ce6556f5b22e6d [0,2,0,0,0,0|0,0,0]=2 492 B13R1.144 O=C(O)c1ccc(c(c1)Cl)NCF 2f1db93592a14463924b0170ccd1b45e [0,2,0,0,0,0|1,0,0]=3 493 B13R1.144 O=C(O)c1ccc(c(c1)Cl)NCO 1cdc5628ad1a4f3c3db8105e9f58c54a [0,2,0,0,0,0|1,0,0]=3 494 B13R1.144 O=C(O)c1ccc(c(c1)Cl)OCF a63bb32c1c6c1fed1fab6f18f15a4211 [0,2,0,0,0,0|0,0,0]=2 495 B13R1.144 O=C(O)c1ccc(c(c1)F)NCF 5a7bd021f7842c42fe927d5c4b9fea15 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.144 O=C(O)c1ccc(c(c1)F)NCO 0e8645f520913217b589b85051476398 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.144 O=C(O)c1ccc(c(c1)F)OCF 7b8d2101b82d5f06131868cdc832bfc2 [0,2,0,0,0,0|0,0,0]=2 498 B13R1.144 O=C(O)c1ccc(c(c1)I)NCF 42fc7481ea08f2bee055439a41a503a4 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.144 O=C(O)c1ccc(c(c1)I)NCO 999ca4738f65332c2570a8622cdc9018 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.144 O=C(O)c1ccc(c(c1)I)OCF 0f098110c29a38b3057d7d79ec2b9126 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.144 O=C(O)c1ccc(c(c1)S)NCF 749d181685900c44812c343765ac0c73 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.144 O=C(O)c1ccc(c(n1)Br)NCF 2094371a42c19d0d8890349eba7fc5a2 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.144 O=C(O)c1ccc(c(n1)Br)NCO 70c58481be5efb063f65f912bf6b5ba3 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.144 O=C(O)c1cnc(c(c1)Br)NCF 571aaf1a0c2566178991a0c89f33e744 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.144 O=C(O)c1cnc(c(c1)Br)NCO b9575abf6e15a511b89caf9fb128f619 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.144 O=C(O)c1cnc(c(c1)Br)OCF 62475b40a4b5a9ae99691e6900069a0c [0,2,0,0,0,0|1,0,0]=3 507 B13R1.144 O=C(O)c1cnc(c(c1)Cl)NCF 2377d5744980ed063f298f26eb1c3e26 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.144 O=C(O)c1cnc(c(c1)Cl)NCO f37556ac5113031cd886af756cec2ec4 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.144 O=C(O)c1cnc(c(c1)Cl)OCF d463e691edfe303043c6b4b5077783f6 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.144 O=C(O)c1cnc(c(c1)F)OCF 0d0b9f88278642300ac370aa07450ca0 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.144 O=C(O)c1cnc(c(c1)I)NCF 14f472af922042c1179567c131a75355 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.144 O=C(O)c1cnc(c(c1)I)NCO 0f3261b084da4efcad2a705808f76b71 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 3d221ea7de110577cc769e3a2f6d615c [0,2,0,0,0,0|1,0,1]=4 514 B13R1.74 C#CCNc1ccc(cc1)C(=O)C c13c546b7c65e5a768d45e504184f817 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 942efe1498768d7d54b529892b3cf549 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.74 C#CCNc1ccc(cc1)C(=O)O 09d10bd7b55c1443c7c1470539c69a86 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.74 C#CCNc1ccc(cn1)C(=O)O 7f8a75bce4875b4cf68bade0c4a79298 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.74 C#CCNc1ccc(nc1)C(=O)O acbe7c38154bb8143bb075d8b06d9f61 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 1a45ecca8a7a04fa454701f147def67e [0,2,0,0,0,0|2,0,0]=4 520 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 137961e935c93f8ca8a49d829e9b1faa [0,2,0,0,0,0|1,0,0]=3 521 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 7876fa56f1994d06acaf1cb7ba9ebc98 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.74 C#CCOc1ccc(cc1)C(=O)O 0208ab3efe4431f02ea2fe9bfe513324 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.74 C#CCOc1ccc(cc1)C(=S)N a27299c194d6ac63bb36f40d4a703b43 [0,2,0,0,0,0|1,1,0]=4 524 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 4dea02d921a2c79cff838c8105b21ea3 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] f04bd548911ea1b0a339ca05b6a2681e [0,2,0,0,0,0|1,0,1]=4 526 B13R1.74 C#CCOc1ccc(cn1)C(=O)C 10ec8866862e7063cb1efcc6e06e964c [0,2,0,0,0,0|2,0,0]=4 527 B13R1.74 C#CCOc1ccc(cn1)C(=O)N e7fc9caeac5039686663155ce2358c4d [0,2,0,0,0,0|2,0,0]=4 528 B13R1.74 C#CCOc1ccc(cn1)C(=O)O 69bd13edd6bdfed3104c87ef13555630 [0,2,0,0,0,0|1,0,0]=3 529 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 3af74e25a7423ffe0182bfcc73c7fa7b [0,2,0,0,0,0|2,0,0]=4 530 B13R1.74 C#CCOc1ccc(nc1)C(=O)N 55b07967c7af56954bf08912b7af4bb2 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.74 C#CCOc1ccc(nc1)C(=O)O c63e9927a0cdcc15cdc7675d4fc7ea47 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.74 C#CCOc1cnc(cn1)C(=O)O 640576db7100b4d1a00ac461ea0a73b4 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.74 C#CCOc1cnc(nc1)C(=O)O 4ecb1aaf24b650a87f5e796413b10c73 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.74 C#CCOc1ncc(cn1)C(=O)O e800a20f996566c8b1e37ca63132353b [0,2,0,0,0,0|2,0,0]=4 535 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 43e55bd4427a25f2cd68c5d6fc4e4471 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 30e2945ff8be6ac394d4f2fadbf09cee [0,2,0,0,0,0|2,0,0]=4 537 B13R1.74 C=C(C)c1ccc(cc1)OCCC e4ca3973b4e87d52f366a8116b0e2436 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.74 C=C(C)c1ccc(cc1)OCCF d21ca946a99cb88fbacefbef36e80283 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.74 C=C(C)c1ccc(cc1)OCCS a8aa5d9e896bbf05acd4d0725c16c7a4 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.74 C=C(C)c1ccc(cc1)OCOC 825a08b964a011a21d79b938dfd009d1 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.74 C=C(C)c1ccc(cc1)OCSC b606baf253796536d02a1f431ed182be [0,2,0,0,0,0|2,0,0]=4 542 B13R1.74 C=CCNc1ccc(cc1)C(=O)C 786c58a768661ad0442dbb398a0bbf6e [0,2,0,0,0,0|2,0,0]=4 543 B13R1.74 C=CCNc1ccc(cc1)C(=O)N cd28a125319d0c0e6467fcb3508de40c [0,2,0,0,0,0|2,0,0]=4 544 B13R1.74 C=CCNc1ccc(cc1)C(=O)O 4444d141526e87f45a80cbe1338e28a7 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.74 C=CCNc1ccc(cn1)C(=O)O 1f0d661a4058ca03cf66fd35afd0f383 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.74 C=CCNc1ccc(nc1)C(=O)O 8d6da57420b5517e771455d8d2e75d6c [0,2,0,0,0,0|2,0,0]=4 547 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 52e26c76ba8ccc41718690a2236e8e6f [0,2,0,0,0,0|2,0,0]=4 548 B13R1.74 C=CCOc1ccc(cc1)C(=O)C d7c3bd4d4333f1640552b049f4c819eb [0,2,0,0,0,0|1,0,0]=3 549 B13R1.74 C=CCOc1ccc(cc1)C(=O)N d64d761b692408dda6636a2f1451abc6 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.74 C=CCOc1ccc(cc1)C(=O)O acfba42069c811f73a7624e62352d590 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.74 C=CCOc1ccc(cc1)C(=S)N f5bcd671dfb3b1838a0be6583a0bd52c [0,2,0,0,0,0|1,1,0]=4 552 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 89ff8539cc722cc0cabcb4f24798b191 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 981345b0a4450fa30e98f432f352b619 [0,2,0,0,0,0|1,0,1]=4 554 B13R1.74 C=CCOc1ccc(cn1)C(=O)C 74debfd94d528e578321ec79ae5151b5 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.74 C=CCOc1ccc(cn1)C(=O)N e2a4d74d296554104bb6433f6f7f76c1 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.74 C=CCOc1ccc(cn1)C(=O)O cd98f38943278ef345d303e846c00537 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.74 C=CCOc1ccc(nc1)C(=O)C cc4d0948a19390a4f7c6cffb3160d7ae [0,2,0,0,0,0|2,0,0]=4 558 B13R1.74 C=CCOc1ccc(nc1)C(=O)N ff4684ffff085daca4f84582485f31d1 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.74 C=CCOc1ccc(nc1)C(=O)O fe9f77d3c93810c83573985c8f4b13f6 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.74 C=CCOc1cnc(cn1)C(=O)O e1423e69ef49d3264859cbe5b1c29868 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.74 C=CCOc1cnc(nc1)C(=O)O 3d04573f9fd78fdf6e4340692d6171fc [0,2,0,0,0,0|2,0,0]=4 562 B13R1.74 C=CCOc1ncc(cn1)C(=O)O 8aa4cb6e96b3cb8ad5d42b3028450271 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.74 CC(=O)c1ccc(cc1)CNCF 5e30e3a8d29971dd68336c1ab0b13bee [0,2,0,0,0,0|2,0,0]=4 564 B13R1.74 CC(=O)c1ccc(cc1)CNCO eb49656758941d4d0cee2310b5dba6a3 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.74 CC(=O)c1ccc(cc1)COCF e41d6fc38f587d02c1023fea92505d15 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.74 CC(=O)c1ccc(cc1)NCC#N d442bf6262072f4cb5c2afe35895a341 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.74 CC(=O)c1ccc(cc1)NCC=O 9a08798a831a85e08adb375f9450ad17 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.74 CC(=O)c1ccc(cc1)NCCBr 74067c63759f8a0d78814af42e8418ca [0,2,0,0,0,0|2,0,0]=4 569 B13R1.74 CC(=O)c1ccc(cc1)NCCF a7de61881c3e14e4d08de90e96ad0522 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.74 CC(=O)c1ccc(cc1)NCCI cf549424c8721f33eba0b70b04102859 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.74 CC(=O)c1ccc(cc1)NCCO eb72d3f4d8e76f85277f46262dfeb510 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.74 CC(=O)c1ccc(cc1)NCCS 195a1aec0c157b898c2b0a7062fc9b2b [0,2,0,0,0,0|2,0,0]=4 573 B13R1.74 CC(=O)c1ccc(cc1)OCC#N f8d120128e670b91c8173c3df18d9ce9 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 64f6c4a4ae4e15adc4f9791f4a0f8c05 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.74 CC(=O)c1ccc(cc1)OCCF a38094576ca24a239a6a43065a00c8a1 [0,2,0,0,0,0|1,0,0]=3 576 B13R1.74 CC(=O)c1ccc(cc1)OCCS 8d76ecb6864298fddbf1204faea6e67a [0,2,0,0,0,0|1,0,0]=3 577 B13R1.74 CC(=O)c1ccc(cn1)OCC#N 09d4d691ec8c8d26c308bc6f6403fc9f [0,2,0,0,0,0|2,0,0]=4 578 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 97ad3546d082788e52957cf4486f58e6 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.74 CC(=O)c1ccc(cn1)OCCF 55b84add2e67729a83f66094fb2da080 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.74 CC(=O)c1ccc(cn1)OCCS 7440044767e7e4ba44acad6d5ebedc8f [0,2,0,0,0,0|2,0,0]=4 581 B13R1.74 CC(=O)c1ccc(nc1)OCC#N d75b550843de131c601c3e729d2b3471 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.74 CC(=O)c1ccc(nc1)OCC=O 8c6ab06725bb99448ca78e3775d7a7e6 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.74 CC(=O)c1ccc(nc1)OCCF 2a8bc7427b7fef7c2e107cf2512bd222 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.74 CC(=O)c1ccc(nc1)OCCS c8a8adbcdac10e9ee5e75c9ddeea2a7a [0,2,0,0,0,0|2,0,0]=4 585 B13R1.74 CCCNc1ccc(cc1)C(=O)C 39413f4bd6a6db1cd248539f1edbe892 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.74 CCCNc1ccc(cc1)C(=O)F 7d154912fb6bc5cedf59dea75b9cc215 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.74 CCCNc1ccc(cc1)C(=O)N 5a65257390655fcc38ef55db6c0f96db [0,2,0,0,0,0|2,0,0]=4 588 B13R1.74 CCCNc1ccc(cc1)C(=O)O 868a160865f470bb9b5f7bc714336ce9 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.74 CCCNc1ccc(cc1)S(=O)O 91685979604ce115573faa461683a3f3 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.74 CCCNc1ccc(cn1)C(=O)O 834a435a4034a52a3843d05cf5440a93 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.74 CCCNc1ccc(nc1)C(=O)O 1fcbcb384f67751ed0f30723609d89c7 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.74 CCCOc1ccc(cc1)C(=O)C ddacf903b5cf7b48b602ba0d6d5aa87b [0,2,0,0,0,0|1,0,0]=3 593 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7ef5350bd5ce46f6e6f4ca1eb42002dc [0,2,0,0,0,0|1,0,0]=3 594 B13R1.74 CCCOc1ccc(cc1)C(=O)O e68121feee9f21b9af7589846e85cba4 [0,2,0,0,0,0|0,0,0]=2 595 B13R1.74 CCCOc1ccc(cc1)C(=S)N 7c3e6bfde24f4b7565bcff482b15f9a1 [0,2,0,0,0,0|1,1,0]=4 596 B13R1.74 CCCOc1ccc(cc1)S(=O)C e2bbd4b5eb19330ad7bade155c58f94e [0,2,0,0,0,0|2,0,0]=4 597 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] c15fa818f2169c6dc913334464cb111e [0,2,0,0,0,0|1,0,1]=4 598 B13R1.74 CCCOc1ccc(cn1)C(=O)C c5504020ec11fbfd1f17cf2f8f2dcc0d [0,2,0,0,0,0|2,0,0]=4 599 B13R1.74 CCCOc1ccc(cn1)C(=O)N 83699a8fc6811251c25029edccfbb96a [0,2,0,0,0,0|2,0,0]=4 600 B13R1.74 CCCOc1ccc(cn1)C(=O)O a471e0b5fc784e4778faab75beb8b74e [0,2,0,0,0,0|1,0,0]=3 601 B13R1.74 CCCOc1ccc(nc1)C(=O)C e0248a4c74241339890e782152125824 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.74 CCCOc1ccc(nc1)C(=O)N ed4783d4bd05f5fffabc8fdf0bc45b99 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.74 CCCOc1ccc(nc1)C(=O)O 1b24109321d46a44254966098df2617d [0,2,0,0,0,0|1,0,0]=3 604 B13R1.74 CCCOc1cnc(cn1)C(=O)O d16f1a9066db20725ccc69875796c089 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.74 CCCOc1cnc(nc1)C(=O)O 5246b80bf5fda58bd593e7d8ac352d77 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.74 CCCOc1ncc(cn1)C(=O)O 90d01e92c7d99d8d1279da8fc7f3b8be [0,2,0,0,0,0|2,0,0]=4 607 B13R1.74 CCNCc1ccc(cc1)C(=O)C 1b713442669e77b96d93391a7dd9da4a [0,2,0,0,0,0|2,0,0]=4 608 B13R1.74 CCNCc1ccc(cc1)C(=O)N bf6f8577b2ee97f271047f4351ed2302 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.74 CCNCc1ccc(cc1)C(=O)O 3d4e00a10787ded655df67774d9e0747 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.74 CCNCc1ccc(cn1)C(=O)O d010b979e8278e269d8fcf1f5a0ca8b0 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.74 CCNCc1ccc(nc1)C(=O)O 21bfa9916b7d5d7ccb946d1687073769 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.74 CCOCc1ccc(cc1)C(=O)C 1d0889c2f8ff6e19a8ebb26c399db3c8 [0,2,0,0,0,0|1,0,0]=3 613 B13R1.74 CCOCc1ccc(cc1)C(=O)N 1b434b3ec31c8fc4b24f847c0378a1fb [0,2,0,0,0,0|1,0,0]=3 614 B13R1.74 CCOCc1ccc(cc1)C(=O)O 22c7a37e8096d83bc2261f3fc9014a61 [0,2,0,0,0,0|0,0,0]=2 615 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] a4d149afcf1be672ed94a93b58fbe514 [0,2,0,0,0,0|1,0,1]=4 616 B13R1.74 CCOCc1ccc(cn1)C(=O)N ffad13a27768902d3e36a767a0f3a1fb [0,2,0,0,0,0|2,0,0]=4 617 B13R1.74 CCOCc1ccc(cn1)C(=O)O eaf860f65b46016f05f7c538bf264c0f [0,2,0,0,0,0|1,0,0]=3 618 B13R1.74 CCOCc1ccc(nc1)C(=O)N b026c32f6c3ceca52ae6429aa14875b5 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.74 CCOCc1ccc(nc1)C(=O)O 3eeb4f68bcfb22d17af6a439eb6e17ff [0,2,0,0,0,0|1,0,0]=3 620 B13R1.74 CCOCc1cnc(cn1)C(=O)O e5fa2a66c70e4c8a902114a53fe6089c [0,2,0,0,0,0|2,0,0]=4 621 B13R1.74 COCNc1ccc(cc1)C(=O)C 8af61c683a7341755578ba89b89e00cf [0,2,0,0,0,0|1,0,0]=3 622 B13R1.74 COCNc1ccc(cc1)C(=O)N 5fb79787fa658ab0de5eb27a7da1048a [0,2,0,0,0,0|1,0,0]=3 623 B13R1.74 COCNc1ccc(cc1)C(=O)O 53803a52bd74adbc9f460024ba34b410 [0,2,0,0,0,0|0,0,0]=2 624 B13R1.74 COCNc1ccc(cc1)C(=S)N cea9b1026236a396c59ceed2a1d0ebe3 [0,2,0,0,0,0|1,1,0]=4 625 B13R1.74 COCNc1ccc(cc1)C(C)O 6fd9208d6526f74f1d1a6d0673947a6c [0,2,0,0,0,0|1,0,1]=4 626 B13R1.74 COCNc1ccc(cc1)S(=O)C a2b0fb188e5c4bdcc89e1a3df5aa58f4 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] b6637b53a364068e98eeb12efe4d9b4f [0,2,0,0,0,0|1,0,1]=4 628 B13R1.74 COCNc1ccc(cn1)C(=O)C b77a2538dd9d1749fa1d04be840f1a88 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.74 COCNc1ccc(cn1)C(=O)N 72c91a8140bc052c71a9d8b3f6ad7c08 [0,2,0,0,0,0|2,0,0]=4 630 B13R1.74 COCNc1ccc(cn1)C(=O)O 894881be0a96c84e1cc6f1d37444c440 [0,2,0,0,0,0|1,0,0]=3 631 B13R1.74 COCNc1ccc(nc1)C(=O)C d8fae6ff844d08261dc1f6e2d9c420ee [0,2,0,0,0,0|2,0,0]=4 632 B13R1.74 COCNc1ccc(nc1)C(=O)N 13a6e5440f2967c4a8da780e59b0c30f [0,2,0,0,0,0|2,0,0]=4 633 B13R1.74 COCNc1ccc(nc1)C(=O)O be4c3b466c7c0f999652136e136b4000 [0,2,0,0,0,0|1,0,0]=3 634 B13R1.74 COCNc1ccc(nn1)C(=O)O 01fcc91247a5c55c5491ca015848b731 [0,2,0,0,0,0|2,0,0]=4 635 B13R1.74 COCNc1cnc(cn1)C(=O)O be2668222a00e69dea8cfa7e237a4627 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.74 COCNc1cnc(nc1)C(=O)O 3229b70ee2434136a8de26ec4c6a1f32 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.74 COCNc1ncc(cn1)C(=O)O b24fcb96ea0c580dcf2e62ae7bd91237 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.74 COCOc1ccc(cc1)C(=O)C cdab89ad69bc4aeaf45cbc37aafb0cdf [0,2,0,0,0,0|1,0,0]=3 639 B13R1.74 COCOc1ccc(cc1)C(=O)N 8b4edececc13072830bf68bf2cb34326 [0,2,0,0,0,0|1,0,0]=3 640 B13R1.74 COCOc1ccc(cc1)C(=O)O 232e0e8c5ee3d041143b1fc7e7dd56ed [0,2,0,0,0,0|0,0,0]=2 641 B13R1.74 COCOc1ccc(cc1)C(=S)N 5db2953fd3174cbd5b4e017638fbe5a1 [0,2,0,0,0,0|1,1,0]=4 642 B13R1.74 COCOc1ccc(cc1)S(=O)C 1ecd2470c0ec98b36da7f0a05a01767d [0,2,0,0,0,0|2,0,0]=4 643 B13R1.74 COCOc1ccc(cc1)[N+](=O)[O-] 183695e7bf0f7dbe9fbb2b6b9e1c967c [0,2,0,0,0,0|1,0,1]=4 644 B13R1.74 COCOc1ccc(cn1)C(=O)C 5057e381a8876bd7d3a30fd7347615f4 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.74 COCOc1ccc(cn1)C(=O)N 1f3f2739e49423a6d749d7a4f4010612 [0,2,0,0,0,0|2,0,0]=4 646 B13R1.74 COCOc1ccc(cn1)C(=O)O e9ff4a657906fc357fee40cc59268437 [0,2,0,0,0,0|1,0,0]=3 647 B13R1.74 COCOc1ccc(nc1)C(=O)C 9cb8865d044c0c2b70dc5ba5ee03b1b2 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.74 COCOc1ccc(nc1)C(=O)N b25dac2f3346694a2dd62cdfa87c9276 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.74 COCOc1ccc(nc1)C(=O)O 1514eb778ec63d889640bbb212907d8a [0,2,0,0,0,0|1,0,0]=3 650 B13R1.74 COCOc1cnc(cn1)C(=O)O ee7c24b9936eaea9ccffe43dd9189712 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.74 COCOc1cnc(nc1)C(=O)O 37b9425149c28b12cbab330a4e39599e [0,2,0,0,0,0|2,0,0]=4 652 B13R1.74 COCOc1ncc(cn1)C(=O)O 538f1a210ba2535ab602939635d7cf69 [0,2,0,0,0,0|2,0,0]=4 653 B13R1.74 CS(=O)c1ccc(cc1)OCC#N 04df66fcee4428488230cfe501ed6193 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 98bf10ebab20689235fcd0c68364607a [0,2,0,0,0,0|2,0,0]=4 655 B13R1.74 CS(=O)c1ccc(cc1)OCCF fcc57eff6c8a194a1f284adf4b77caea [0,2,0,0,0,0|2,0,0]=4 656 B13R1.74 CS(=O)c1ccc(cc1)OCCS b97d9129fe13ec86e7ca4a81584cd23b [0,2,0,0,0,0|2,0,0]=4 657 B13R1.74 CSCNc1ccc(cc1)C(=O)C 3a509e2567036c55cff3f54ccee4a5fc [0,2,0,0,0,0|1,1,0]=4 658 B13R1.74 CSCNc1ccc(cc1)C(=O)N a0882f2dbee789a61d5f396cf560112e [0,2,0,0,0,0|1,1,0]=4 659 B13R1.74 CSCNc1ccc(cc1)C(=O)O 554030e0a22b3d529d25b546a1056984 [0,2,0,0,0,0|0,1,0]=3 660 B13R1.74 CSCNc1ccc(cn1)C(=O)O 306066c37f1f8b5ff665849f8cec13f8 [0,2,0,0,0,0|1,1,0]=4 661 B13R1.74 CSCNc1ccc(nc1)C(=O)O 8c623b24f2b06206a90be4f1b30f2b58 [0,2,0,0,0,0|1,1,0]=4 662 B13R1.74 CSCOc1ccc(cc1)C(=O)C fc5cb2c7dda29a4a272c0869a9ba9948 [0,2,0,0,0,0|1,0,0]=3 663 B13R1.74 CSCOc1ccc(cc1)C(=O)N 9fc8815100b379eac0c3284a4945cad6 [0,2,0,0,0,0|1,0,0]=3 664 B13R1.74 CSCOc1ccc(cc1)C(=O)O 1cdb63aaf234af12106a2c0c7037c19b [0,2,0,0,0,0|0,0,0]=2 665 B13R1.74 CSCOc1ccc(cc1)C(=S)N c01c361fe16e389d05efec4c586bce67 [0,2,0,0,0,0|1,1,0]=4 666 B13R1.74 CSCOc1ccc(cc1)S(=O)C 1307c4b467256bdfb592a32db0affd95 [0,2,0,0,0,0|2,0,0]=4 667 B13R1.74 CSCOc1ccc(cn1)C(=O)C 758ac9d41a0b8d7dbd6056147534f6d0 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.74 CSCOc1ccc(cn1)C(=O)N f4caa91b51cb32598f9f997a97fe9a94 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.74 CSCOc1ccc(cn1)C(=O)O 9534b7498485a688938e37e2df0e5ccb [0,2,0,0,0,0|1,0,0]=3 670 B13R1.74 CSCOc1ccc(nc1)C(=O)C bbdfc89bb7673373d967b459458e9c73 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.74 CSCOc1ccc(nc1)C(=O)N f81bff6ebf432c901f29ffa3b1f3afcd [0,2,0,0,0,0|2,0,0]=4 672 B13R1.74 CSCOc1ccc(nc1)C(=O)O 20695ad3507470c14743c45d8aec325f [0,2,0,0,0,0|1,0,0]=3 673 B13R1.74 CSCOc1cnc(cn1)C(=O)O 0bf22f11b957d2426ff64516cce41b77 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.74 CSCOc1cnc(nc1)C(=O)O 7d6b2edb34e628b6ffce52b69e565503 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.74 CSCOc1ncc(cn1)C(=O)O 15dd32f2354c93d41859850880309eff [0,2,0,0,0,0|2,0,0]=4 676 B13R1.74 N#CCNc1ccc(cc1)C(=O)N 554be6adcd7f5578cd1f06149231a2df [0,2,0,0,0,0|2,0,0]=4 677 B13R1.74 N#CCNc1ccc(cc1)C(=O)O 3d14791f5eee244f0d2a92b19e8f9540 [0,2,0,0,0,0|1,0,0]=3 678 B13R1.74 N#CCNc1ccc(cn1)C(=O)O 7130a7af85829abbc1c1328146514c0f [0,2,0,0,0,0|2,0,0]=4 679 B13R1.74 N#CCNc1ccc(nc1)C(=O)O 03fb8965590e4720abf69c38a555857c [0,2,0,0,0,0|2,0,0]=4 680 B13R1.74 N#CCOc1ccc(cc1)C(=O)N 62e399692354c5ce38473eef36ae4ad6 [0,2,0,0,0,0|1,0,0]=3 681 B13R1.74 N#CCOc1ccc(cc1)C(=O)O 710f859e892aeb08397581b9ac175a03 [0,2,0,0,0,0|0,0,0]=2 682 B13R1.74 N#CCOc1ccc(cc1)C(=S)N 11e49c82cde0b51cce550b8025ee48e3 [0,2,0,0,0,0|1,1,0]=4 683 B13R1.74 N#CCOc1ccc(cc1)[N+](=O)[O-] a97212eb7bc306a4a0454ae03177b68b [0,2,0,0,0,0|1,0,1]=4 684 B13R1.74 N#CCOc1ccc(cn1)C(=O)N ec2093bf294c3bfb7d6ec2f07c74da7b [0,2,0,0,0,0|2,0,0]=4 685 B13R1.74 N#CCOc1ccc(cn1)C(=O)O 9ba8a6dbe1235532d03634a020d04582 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.74 N#CCOc1ccc(nc1)C(=O)N bcec469172ffcff736d7ec6054843f22 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.74 N#CCOc1ccc(nc1)C(=O)O 93e144f2a9ad49b3e1fb146d2ae0cbc2 [0,2,0,0,0,0|1,0,0]=3 688 B13R1.74 N#CCOc1cnc(cn1)C(=O)O 050540cf19a3542ba06d7634d5b1579e [0,2,0,0,0,0|2,0,0]=4 689 B13R1.74 N#CCOc1cnc(nc1)C(=O)O 9901e07903640e325b9fa15ac5e80b40 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.74 N#CCOc1ncc(cn1)C(=O)O 6c0aeee913b7fccfb3efb0b315eeeef7 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.74 N#CNCc1ccc(cc1)C(=O)O 81f87d065e2f5d85550ca6145df8d309 [0,2,0,0,0,0|1,0,1]=4 692 B13R1.74 NC(=O)c1ccc(cc1)CNCF 0af2dcb1f920d9e6ef103a988de889e8 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.74 NC(=O)c1ccc(cc1)CNCO 3d220b9d59686b8e1cfa1eb7e6099194 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.74 NC(=O)c1ccc(cc1)COCF 0598f47f535320fe7144cc43e73d4c7e [0,2,0,0,0,0|1,0,0]=3 695 B13R1.74 NC(=O)c1ccc(cc1)NCC=O fccf3dfa34cc713b3f03b578e72cc813 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.74 NC(=O)c1ccc(cc1)NCCBr 8ff9891d9ed0948166afcbc31191b4ab [0,2,0,0,0,0|2,0,0]=4 697 B13R1.74 NC(=O)c1ccc(cc1)NCCF 06cb6ece867d2336b9c5b96ba7324bf6 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.74 NC(=O)c1ccc(cc1)NCCO e35367d7bec2798731be1f0b8505943f [0,2,0,0,0,0|2,0,0]=4 699 B13R1.74 NC(=O)c1ccc(cc1)NCCS cac26b780663abc7d2f61a0f4e37436b [0,2,0,0,0,0|2,0,0]=4 700 B13R1.74 NC(=O)c1ccc(cc1)OCC=O aaf6ec42e28e37ce9163dbaa9f9a4796 [0,2,0,0,0,0|1,0,0]=3 701 B13R1.74 NC(=O)c1ccc(cc1)OCCF 28864cd516adb5451e176b898da182f4 [0,2,0,0,0,0|1,0,0]=3 702 B13R1.74 NC(=O)c1ccc(cc1)OCCS 71ad72613ff87d1b409efec9c286072d [0,2,0,0,0,0|1,0,0]=3 703 B13R1.74 NC(=O)c1ccc(cn1)COCF f61a2ed16a15fa74f08f223c93eb78c3 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.74 NC(=O)c1ccc(cn1)OCC=O 672c5c0e7b34f3e1bb30a074296d32db [0,2,0,0,0,0|2,0,0]=4 705 B13R1.74 NC(=O)c1ccc(cn1)OCCF 09ccd4174a3d13ef557b0865fd8cc378 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.74 NC(=O)c1ccc(cn1)OCCS 1396548b8c76ef5b17d4e7117b234ad1 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.74 NC(=O)c1ccc(nc1)COCF 37bb0f0c7941b8880f906406b11ab49c [0,2,0,0,0,0|2,0,0]=4 708 B13R1.74 NC(=O)c1ccc(nc1)OCC=O f96a017f287a5bef8852fca15fe03574 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.74 NC(=O)c1ccc(nc1)OCCF 16cc72d979320386f74dfb6fd8f79eb1 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.74 NC(=O)c1ccc(nc1)OCCS 27cff4c4d39bfb7b8f54b2e8a1a7060a [0,2,0,0,0,0|2,0,0]=4 711 B13R1.74 NC(=S)c1ccc(cc1)OCC=O c5ae87b75a605ab454c70859acd42b85 [0,2,0,0,0,0|1,1,0]=4 712 B13R1.74 NC(=S)c1ccc(cc1)OCCF 1ecd75244378ca562c0886b971cf38a5 [0,2,0,0,0,0|1,1,0]=4 713 B13R1.74 NC(=S)c1ccc(cc1)OCCS af61e49499eb3011a54a99de9fc25bd3 [0,2,0,0,0,0|1,1,0]=4 714 B13R1.74 O=C(F)c1ccc(cc1)NCCBr 9c3bcd2cd09a0f080002d60ca7a36c64 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.74 O=C(F)c1ccc(cc1)NCCF b1232b7ad2ca0c9e76749c4a901c3d55 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.74 O=C(F)c1ccc(cc1)NCCI 7ec43ca26416d6cc1f7d5f4a3a37e177 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.74 O=C(F)c1ccc(cc1)NCCO 04238918edd38ab154634fc7c0bcc095 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.74 O=C(F)c1ccc(cc1)NCCS cdd4775cd3bf03c5fbbc05535943b8b5 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.74 O=C(O)c1ccc(cc1)CNCF fce6dc4ef91bf171a927a0870ec8a119 [0,2,0,0,0,0|1,0,0]=3 720 B13R1.74 O=C(O)c1ccc(cc1)CNCO 22e2e2355359955e97d4c429bd3d0f01 [0,2,0,0,0,0|1,0,0]=3 721 B13R1.74 O=C(O)c1ccc(cc1)COCF 934898ad9bb77a914bed33c94c0892d7 [0,2,0,0,0,0|0,0,0]=2 722 B13R1.74 O=C(O)c1ccc(cc1)NCCF a22eabc319ea0c02b0bd0a0ec87f8013 [0,2,0,0,0,0|1,0,0]=3 723 B13R1.74 O=C(O)c1ccc(cc1)NCCO c6e149b9633e15887cb68acce64a375b [0,2,0,0,0,0|1,0,0]=3 724 B13R1.74 O=C(O)c1ccc(cc1)NCCS 57cfc73905de0966d2d9fa4841b6e0bb [0,2,0,0,0,0|1,0,0]=3 725 B13R1.74 O=C(O)c1ccc(cc1)OCCF 5f2f07081719d85a5d6d480a4d29165b [0,2,0,0,0,0|0,0,0]=2 726 B13R1.74 O=C(O)c1ccc(cc1)OCCS 66c139ec3e1cb93bbd22641fbccea8eb [0,2,0,0,0,0|0,0,0]=2 727 B13R1.74 O=C(O)c1ccc(cn1)CNCF b35813f5042b63a6af2b916eb6962c62 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.74 O=C(O)c1ccc(cn1)CNCO 0f6c1d0ad42fa0042ddafd988e03cbc4 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.74 O=C(O)c1ccc(cn1)COCF 9e7651a15b36357f16c0c5146113bbe5 [0,2,0,0,0,0|1,0,0]=3 730 B13R1.74 O=C(O)c1ccc(cn1)NCCF 3383568190e9142d690abe3ce1c94d49 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.74 O=C(O)c1ccc(cn1)NCCO d8454765853ae4ea35fd0158b9f7ab5c [0,2,0,0,0,0|2,0,0]=4 732 B13R1.74 O=C(O)c1ccc(cn1)NCCS 1b714c248456661585b0ebf68335e3d1 [0,2,0,0,0,0|2,0,0]=4 733 B13R1.74 O=C(O)c1ccc(cn1)OCCF 846646c2cfc6f6ef14c85f37785a98b9 [0,2,0,0,0,0|1,0,0]=3 734 B13R1.74 O=C(O)c1ccc(cn1)OCCS 62decc4138def1463bc4c750234fa375 [0,2,0,0,0,0|1,0,0]=3 735 B13R1.74 O=C(O)c1ccc(nc1)CNCF 5a139ba5946681c517ab8b5407e4d2f9 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.74 O=C(O)c1ccc(nc1)CNCO aa74d3def7cbe2cbc03a7e37f7a3bd67 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.74 O=C(O)c1ccc(nc1)COCF 62d2db39988178d5ced85670e11f1018 [0,2,0,0,0,0|1,0,0]=3 738 B13R1.74 O=C(O)c1ccc(nc1)NCCF 279ebb9cc0623888bb667e6b51504ecb [0,2,0,0,0,0|2,0,0]=4 739 B13R1.74 O=C(O)c1ccc(nc1)NCCO d090cc184c5020cc46da05c6c835cd7f [0,2,0,0,0,0|2,0,0]=4 740 B13R1.74 O=C(O)c1ccc(nc1)NCCS 5621f5768dfd7898bf046374f4ee3143 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.74 O=C(O)c1ccc(nc1)OCCF 0cd357f99a6020df3fbeb915f71443e0 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.74 O=C(O)c1ccc(nc1)OCCS 073740f370758ef8208477d5657175b6 [0,2,0,0,0,0|1,0,0]=3 743 B13R1.74 O=C(O)c1cnc(cn1)COCF b83b0bb8b3f8c04466c9e77b473caf9f [0,2,0,0,0,0|2,0,0]=4 744 B13R1.74 O=C(O)c1cnc(cn1)OCCF 681a8dd6b39e3c4096d0bcd87bf6dcdf [0,2,0,0,0,0|2,0,0]=4 745 B13R1.74 O=C(O)c1cnc(cn1)OCCS 385c189637cc5107b8d27d2a79d62c1c [0,2,0,0,0,0|2,0,0]=4 746 B13R1.74 O=C(O)c1cnc(nc1)OCCF 19af17fd75b6ffb03ea68bde68cc9d15 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.74 O=C(O)c1cnc(nc1)OCCS f2531db5a289cbad7a26f90123288b8f [0,2,0,0,0,0|2,0,0]=4 748 B13R1.74 O=C(O)c1ncc(cn1)OCCF f0b87a3e268d32a1e2c48241242dfb8f [0,2,0,0,0,0|2,0,0]=4 749 B13R1.74 O=C(O)c1ncc(cn1)OCCS 05ee480dd310c760583f23d36b23aa51 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.74 O=CCNc1ccc(cc1)C(=O)O 874cf38ac0c94927e4b708b1d26e2c3d [0,2,0,0,0,0|1,0,0]=3 751 B13R1.74 O=CCNc1ccc(cn1)C(=O)O 2bb4c2c0f9bc9658a2f376e47006ccc9 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.74 O=CCNc1ccc(nc1)C(=O)O 06e9d3899c67fbf420fdfab2414cf932 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.74 O=CCOc1ccc(cc1)C(=O)O ae7b4bd3bc5714152ce35f4e8f764ea4 [0,2,0,0,0,0|0,0,0]=2 754 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] b6965956af3d2504161ff9632a5d8056 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.74 O=CCOc1ccc(cn1)C(=O)O 594451a505788a63e692d3cf644109ac [0,2,0,0,0,0|1,0,0]=3 756 B13R1.74 O=CCOc1ccc(nc1)C(=O)O c8bedd93fabe03e38f7d52538d6c4f8e [0,2,0,0,0,0|1,0,0]=3 757 B13R1.74 O=CCOc1cnc(cn1)C(=O)O 346c9fc113c5c4ae3b94109cfcb5de93 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.74 O=CCOc1cnc(nc1)C(=O)O abbac876e4e95074bc8caea4e3db67c5 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.74 O=CCOc1ncc(cn1)C(=O)O 8e8a8d71696bad9626baee93fa00e2ff [0,2,0,0,0,0|2,0,0]=4 760 B13R1.74 O=S(O)c1ccc(cc1)NCCBr 92befca1ec093bb3a7756963fb30f789 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.74 O=S(O)c1ccc(cc1)NCCF 34f7739aa266feb8b2563e2b800c65b2 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.74 O=S(O)c1ccc(cc1)NCCI 9c2661708941d4ca5b43e20b615c28bd [0,2,0,0,0,0|2,0,0]=4 763 B13R1.74 O=S(O)c1ccc(cc1)NCCO e011855d1d2afbedd38ccebc3e696f53 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.74 O=S(O)c1ccc(cc1)NCCS 30ef1597f83972673ac49a9ee36b3851 [0,2,0,0,0,0|2,0,0]=4 765 B13R1.74 O=[N+]([O-])c1ccc(cc1)COCF 66c16d3169c914644596e89c360bb401 [0,2,0,0,0,0|1,0,1]=4 766 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCS 07f2fdebf7b82571774b0196eb113c63 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.385 CC(=O)c1ccc(cc1Br)NCF 1f3fa30260e07b51cde98dc182a6b8e3 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.385 CC(=O)c1ccc(cc1Br)NCO 144386dac7f0e905bb26d68d05b309c3 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 97e268ee207565e3cdfde3bc8b79d1b1 [0,2,0,0,0,0|1,0,0]=3 770 B13R1.385 CC(=O)c1ccc(cc1C)OCF 0a023cdc96b7f933cb70d3ca74d629e0 [0,2,0,0,0,0|1,0,0]=3 771 B13R1.385 CC(=O)c1ccc(cc1Cl)NCF 91757c9943c7c9bc8be2635bbd38463f [0,2,0,0,0,0|2,0,0]=4 772 B13R1.385 CC(=O)c1ccc(cc1Cl)NCO af96987dff3e359ee482cda91bd5257f [0,2,0,0,0,0|2,0,0]=4 773 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF ae1839df9f62302487b9317f426b3b5d [0,2,0,0,0,0|1,0,0]=3 774 B13R1.385 CC(=O)c1ccc(cc1F)NCF e624d50a099cfa0789f9fd9369ce6862 [0,2,0,0,0,0|2,0,0]=4 775 B13R1.385 CC(=O)c1ccc(cc1F)NCO c9a33cb3db5237eb7f42be4583b39f80 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.385 CC(=O)c1ccc(cc1F)OCF eb7d0d7176f114109891bcaeb215b925 [0,2,0,0,0,0|1,0,0]=3 777 B13R1.385 CCNc1cc(c(cn1)C(=O)O)C da07742a7ae0347879661cafb67b2b68 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.385 CCNc1cc(c(cn1)C(=O)O)Cl 542083a247d39d6042a2d45b9f736e71 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)C dfb1faf5d2bcd02e49d2b521b74a02ad [0,2,0,0,0,0|2,0,0]=4 780 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)O 63088c3336cd12edfc76da88e77cfaa0 [0,2,0,0,0,0|1,0,0]=3 781 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N b6bb4e53879c1ce4b66c45fb0a6b0a8d [0,2,0,0,0,0|2,0,0]=4 782 B13R1.385 CCNc1ccc(c(c1)C)C(=O)O b68af022ab0616ee44747e6fc26cc8b6 [0,2,0,0,0,0|1,0,0]=3 783 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)C e6618ca881cecdb3563284234cbca2c4 [0,2,0,0,0,0|2,0,0]=4 784 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 48400afc8fc3fc47fca61f5870055b0c [0,2,0,0,0,0|2,0,0]=4 785 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)O 3c335b7b1565b4e33b1adb27aa1f3b96 [0,2,0,0,0,0|1,0,0]=3 786 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C c486860c438b28db29d54f392fefe6df [0,2,0,0,0,0|2,0,0]=4 787 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 87dd4f68dea0dd0b9cfab9b36287f465 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.385 CCNc1ccc(c(c1)F)C(=O)O efd3a4c16bfbed07c65985e7315afbfe [0,2,0,0,0,0|1,0,0]=3 789 B13R1.385 CCNc1ccc(c(c1)I)C(=O)O 72ee957beaeee162de82d3121e6495bb [0,2,0,0,0,0|1,0,0]=3 790 B13R1.385 CCNc1ccc(c(n1)Br)C(=O)O 5832a44401afc75736198a7768b98928 [0,2,0,0,0,0|2,0,0]=4 791 B13R1.385 CCNc1ccc(c(n1)C)C(=O)O d953a475417fc071a4504b9ac207dc86 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.385 CCNc1ccc(c(n1)Cl)C(=O)O 48c14fdd6827c06b207c55529809b3cb [0,2,0,0,0,0|2,0,0]=4 793 B13R1.385 CCNc1ccc(c(n1)F)C(=O)O f708bf066d615d71517d25f5c2546060 [0,2,0,0,0,0|2,0,0]=4 794 B13R1.385 CCNc1cnc(c(c1)C)C(=O)O bc3ac68cd1e1652353a45c8ef0d8f662 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.385 CCNc1cnc(c(c1)F)C(=O)O 4076140ee3de9617cc7f38ba67e74ab1 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.385 CCOc1cc(c(cn1)C(=O)O)Br 871b77e6b3fe5e0c49cdf18b38e4ff29 [0,2,0,0,0,0|1,0,0]=3 797 B13R1.385 CCOc1cc(c(cn1)C(=O)O)C 65781072e0597dab36e5035f993180ab [0,2,0,0,0,0|1,0,0]=3 798 B13R1.385 CCOc1cc(c(cn1)C(=O)O)Cl 7999ac27225c8e08330ec3bf4fd7b5d6 [0,2,0,0,0,0|1,0,0]=3 799 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C ca2a0d63b31af9df2d6905fa8623fdec [0,2,0,0,0,0|1,0,0]=3 800 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)O f22587f9ff61a1e497ddef02dd4884d4 [0,2,0,0,0,0|0,0,0]=2 801 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] d076a6f55c8889fe7138c2d9f982723c [0,2,0,0,0,0|1,0,1]=4 802 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 60c7fe0085581cce2ec5c907a42d063e [0,2,0,0,0,0|1,0,0]=3 803 B13R1.385 CCOc1ccc(c(c1)C)C(=O)N fbf4f47dc3d349669d68c7ebc505ed0e [0,2,0,0,0,0|1,0,0]=3 804 B13R1.385 CCOc1ccc(c(c1)C)C(=O)O 09e2e50315f11f8d88ffd75122e8c66a [0,2,0,0,0,0|0,0,0]=2 805 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 3905d45434211918343889e64db7df50 [0,2,0,0,0,0|1,0,1]=4 806 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 3a9d97af6eac4fcb103ebf982142af36 [0,2,0,0,0,0|1,0,0]=3 807 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 8ae6a1e9c52784ced6741fa06b14ac5b [0,2,0,0,0,0|1,0,0]=3 808 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)O 8b3e4223c495d01534683bb9ae33a989 [0,2,0,0,0,0|0,0,0]=2 809 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] feae077716ac0cc1c6b03aad684c6e06 [0,2,0,0,0,0|1,0,1]=4 810 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 840acfbc16700abda3d55ad837d74103 [0,2,0,0,0,0|1,0,0]=3 811 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7638c47abad21336d2b1ab2ffbcf2981 [0,2,0,0,0,0|1,0,0]=3 812 B13R1.385 CCOc1ccc(c(c1)F)C(=O)O f0e6d31fc97b1e5152fc77c43d0e54f7 [0,2,0,0,0,0|0,0,0]=2 813 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] 8b746a7e0397883e275139e4cff0ae72 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.385 CCOc1ccc(c(c1)I)[N+](=O)[O-] 8c0b1739ab9a7a321b934ea0e57a1eae [0,2,0,0,0,0|1,0,1]=4 815 B13R1.385 CCOc1ccc(c(n1)C)C(=O)O 92b7ee2822becd90a31ad2745c77976a [0,2,0,0,0,0|1,0,0]=3 816 B13R1.385 CCOc1ccc(c(n1)Cl)C(=O)O 9826439344d7121242c34eb9209b644b [0,2,0,0,0,0|1,0,0]=3 817 B13R1.385 CCOc1cnc(c(c1)F)C(=O)O 027ac6924f58386fe370fc4785ba35d9 [0,2,0,0,0,0|1,0,0]=3 818 B13R1.385 CCOc1ncc(c(n1)C)C(=O)O e9fd3a62bd2be803e9e276ae5638d817 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 53da1219707d70c756bc7e512177df54 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.385 Cc1cc(ccc1C(=O)N)NCO 65f91ffcf57e1574f9db5b418526a914 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.385 Cc1cc(ccc1C(=O)N)OCF 9c67f3c92cb5fe7da1f88839950cdae2 [0,2,0,0,0,0|1,0,0]=3 822 B13R1.385 Cc1cc(ccc1C(=O)O)NCF 41db4fe9a5a92737d488f32c7cb558ac [0,2,0,0,0,0|1,0,0]=3 823 B13R1.385 Cc1cc(ccc1C(=O)O)NCO c8246581ce1520b4acd9eceb58c84381 [0,2,0,0,0,0|1,0,0]=3 824 B13R1.385 Cc1cc(ccc1C(=O)O)OCF 89841c87229033a1aa645090295ea9ec [0,2,0,0,0,0|0,0,0]=2 825 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF b03b0165e96189c60c2f69657458391b [0,2,0,0,0,0|1,0,1]=4 826 B13R1.385 Cc1cc(cnc1C(=O)O)NCF 48f0b6f7c2b2c91f76b93eaf4f8ef26c [0,2,0,0,0,0|2,0,0]=4 827 B13R1.385 Cc1cc(cnc1C(=O)O)NCO c43612408bca5181872daacc8f2dd87d [0,2,0,0,0,0|2,0,0]=4 828 B13R1.385 Cc1cc(ncc1C(=O)O)NCF cfe56b6cb4e2f67cfcee1f8030912d87 [0,2,0,0,0,0|2,0,0]=4 829 B13R1.385 Cc1cc(ncc1C(=O)O)NCO a5cac8286502e38249420489ba690f2f [0,2,0,0,0,0|2,0,0]=4 830 B13R1.385 Cc1cc(ncc1C(=O)O)OCF 37671a9b49e9338475fbf7ea74f55912 [0,2,0,0,0,0|1,0,0]=3 831 B13R1.385 Cc1nc(ccc1C(=O)O)NCF eec5ecced84d256730253512ae096ccc [0,2,0,0,0,0|2,0,0]=4 832 B13R1.385 Cc1nc(ccc1C(=O)O)NCO 686a86f2b58c9f2a26020c661310a466 [0,2,0,0,0,0|2,0,0]=4 833 B13R1.385 Cc1nc(ccc1C(=O)O)OCF 32c91fc91a4cd84b7341eefe8e24b261 [0,2,0,0,0,0|1,0,0]=3 834 B13R1.385 Cc1nc(ncc1C(=O)O)OCF 1a020955829b57903b0c23a593be6932 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF e960691bf0d11f812e13563ef3af63d3 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.385 NC(=O)c1ccc(cc1Cl)NCO 0f5c21c14efa7556f0568db75a98ee0c [0,2,0,0,0,0|2,0,0]=4 837 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7bdbd2f888b99154c191fc15db825f01 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.385 NC(=O)c1ccc(cc1F)NCF f1178e57d0a45fbef1d6e3ffcc0a2f4d [0,2,0,0,0,0|2,0,0]=4 839 B13R1.385 NC(=O)c1ccc(cc1F)NCO 9461a02cd39f9771f42cd1140cd942bc [0,2,0,0,0,0|2,0,0]=4 840 B13R1.385 NC(=O)c1ccc(cc1F)OCF 5fbded5cf0523cb234a3465d92f61da3 [0,2,0,0,0,0|1,0,0]=3 841 B13R1.385 O=C(O)c1ccc(cc1Br)NCF 3dc308f009e8eff15844fac3306e8d8e [0,2,0,0,0,0|1,0,0]=3 842 B13R1.385 O=C(O)c1ccc(cc1Br)NCO 9f6d474f0038232f8402e2b5b2257071 [0,2,0,0,0,0|1,0,0]=3 843 B13R1.385 O=C(O)c1ccc(cc1Br)OCF 9905c2182583002677d0b3f51f2f8704 [0,2,0,0,0,0|0,0,0]=2 844 B13R1.385 O=C(O)c1ccc(cc1Cl)NCF c1892eb9930db7398e9bcbae0fd8e566 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.385 O=C(O)c1ccc(cc1Cl)NCO 0ae443d71c19a2c6d5b00e7934350288 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.385 O=C(O)c1ccc(cc1Cl)OCF e83c05b248a74014304cb36b815c1373 [0,2,0,0,0,0|0,0,0]=2 847 B13R1.385 O=C(O)c1ccc(cc1F)NCF a14ca8dd74a24321544879f9eb8244ff [0,2,0,0,0,0|1,0,0]=3 848 B13R1.385 O=C(O)c1ccc(cc1F)NCO 08f9c84cb7f1f82d1612f144f4039b1e [0,2,0,0,0,0|1,0,0]=3 849 B13R1.385 O=C(O)c1ccc(cc1F)OCF d327aaf236eb4e2e791f63c33ec7ec6e [0,2,0,0,0,0|0,0,0]=2 850 B13R1.385 O=C(O)c1ccc(cc1I)NCF 269d659c67e1f7924c8805b90facde70 [0,2,0,0,0,0|1,0,0]=3 851 B13R1.385 O=C(O)c1ccc(cc1I)NCO 005c9a76951465662c711d3a14f233ec [0,2,0,0,0,0|1,0,0]=3 852 B13R1.385 O=C(O)c1ccc(nc1Br)NCF 8568d22289f48acb38253c57b5ffafbd [0,2,0,0,0,0|2,0,0]=4 853 B13R1.385 O=C(O)c1ccc(nc1Br)NCO b0b5b6abc3f71ba67a11512e52a655da [0,2,0,0,0,0|2,0,0]=4 854 B13R1.385 O=C(O)c1ccc(nc1Cl)NCF de873d2fc233218b87b001dd06b86e0d [0,2,0,0,0,0|2,0,0]=4 855 B13R1.385 O=C(O)c1ccc(nc1Cl)NCO 97ee35445c6c178b1d437a97a526f998 [0,2,0,0,0,0|2,0,0]=4 856 B13R1.385 O=C(O)c1ccc(nc1Cl)OCF 24972157cfd568b1f2fbd4ad114e8e6e [0,2,0,0,0,0|1,0,0]=3 857 B13R1.385 O=C(O)c1ccc(nc1F)NCF fd8f39406df2339e0e48d3e65ca63fd6 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.385 O=C(O)c1ccc(nc1F)NCO 15e8b5456de1ff944cdf226c7b003636 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.385 O=C(O)c1cnc(cc1Br)OCF ded94eec41856057538e3d46ba790c16 [0,2,0,0,0,0|1,0,0]=3 860 B13R1.385 O=C(O)c1cnc(cc1Cl)NCF 21937f0abd53a7de73bf5602d272e87e [0,2,0,0,0,0|2,0,0]=4 861 B13R1.385 O=C(O)c1cnc(cc1Cl)NCO d6f9357d7ab2b4f66bb492bf4dea8de9 [0,2,0,0,0,0|2,0,0]=4 862 B13R1.385 O=C(O)c1cnc(cc1Cl)OCF beca938e5ecf7f6dacd13a9cb9cd9411 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.385 O=C(O)c1ncc(cc1F)NCF 3b4201943f0b974cbcda85d78a744741 [0,2,0,0,0,0|2,0,0]=4 864 B13R1.385 O=C(O)c1ncc(cc1F)NCO 8707a74d23430452a7add35529c331a1 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.385 O=C(O)c1ncc(cc1F)OCF 342ac3d2319cc90a686b5426accba701 [0,2,0,0,0,0|1,0,0]=3 866 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF b567d7cd7b6096e6d94427f603db8970 [0,2,0,0,0,0|1,0,1]=4 867 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 7c84e5b259bea8ec3b6b85733f6de569 [0,2,0,0,0,0|1,0,1]=4 868 B13R1.385 O=[N+]([O-])c1ccc(cc1F)OCF 711056390d919421b019da5265b61e72 [0,2,0,0,0,0|1,0,1]=4 869 B13R1.385 O=[N+]([O-])c1ccc(cc1I)OCF ebe330e22bf9b0314e42f4e4986c7b9e [0,2,0,0,0,0|1,0,1]=4 870 B11R0.109 C=C(COCC(=C)C(=O)O)OC 804fdead71539e3a22bb41ab580a8caf [0,0,1,0,0,1|0,0,2]=4 871 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [1,0,0,0,0,1|1,0,0]=3 872 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [1,0,0,0,0,1|2,0,0]=4 873 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [1,0,0,0,0,1|2,0,0]=4 874 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [1,0,0,0,0,1|1,0,0]=3 875 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [1,0,0,0,0,1|1,1,0]=4 876 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [1,0,0,0,0,1|2,0,0]=4 877 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [1,0,0,0,0,1|2,0,0]=4 878 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [1,0,0,0,0,1|2,0,0]=4 879 B13R1.3 C#Cc1ccc(cc1)NCC(=O)O 75e3dbd96818d204f286ea6aca8bceef [0,0,0,0,0,2|1,0,1]=4 880 B13R1.3 C#Cc1ccc(cc1)OCC(=O)O 78740a8915989cbe5c691cfe87fb1f37 [0,0,0,0,0,2|1,0,1]=4 881 B13R1.3 C=C(Br)CNc1ccc(cc1)OC b65c427f04c45a43e224ebcff199426b [0,0,0,0,0,2|2,0,0]=4 882 B13R1.3 C=C(Br)COc1ccc(cc1)OC f7a639c4697a07261de4e077011628a9 [0,0,0,0,0,2|2,0,0]=4 883 B13R1.3 C=C(C)CNc1ccc(cc1)OC 278aba3747fd5ec091b71d871bdb75a6 [0,0,0,0,0,2|2,0,0]=4 884 B13R1.3 C=C(C)COc1ccc(cc1)OC 2671c7295ec5c8c545177d5fc6484439 [0,0,0,0,0,2|2,0,0]=4 885 B13R1.3 C=C(Cl)CNc1ccc(cc1)OC 3cacd7ca9f0387def03636cdf7f111d8 [0,0,0,0,0,2|2,0,0]=4 886 B13R1.3 C=C(Cl)COc1ccc(cc1)OC 7e9718bd1cc17832a5b5eea9648a683e [0,0,0,0,0,2|2,0,0]=4 887 B13R1.3 C=C(F)CNc1ccc(cc1)OC f8e774b4a1ecfcb343afa233b58ea7b7 [0,0,0,0,0,2|2,0,0]=4 888 B13R1.3 C=C(F)COc1ccc(cc1)OC 9173617ebd6d67da582aeb94c9350354 [0,0,0,0,0,2|2,0,0]=4 889 B13R1.3 C=Cc1ccc(cc1)NCC(=O)O 31269f9025f1ba766a5cbcda57c15baf [0,0,0,0,0,2|1,0,1]=4 890 B13R1.3 C=Cc1ccc(cc1)OCC(=O)O 7e82b768847f31eafb04946ab51e7271 [0,0,0,0,0,2|1,0,1]=4 891 B13R1.3 CCc1ccc(cc1)CNC(=O)C 0de70501c83fb93029a3c40b9e1e9104 [0,0,0,0,0,2|2,0,0]=4 892 B13R1.3 CCc1ccc(cc1)NCC(=O)C 1a84292d9cbe7823b94b324af7dbbdcd [0,0,0,0,0,2|2,0,0]=4 893 B13R1.3 CCc1ccc(cc1)NCC(=O)N 4abb1d7f126f5f8903c65a21e70c32c9 [0,0,0,0,0,2|2,0,0]=4 894 B13R1.3 CCc1ccc(cc1)NCC(=O)O 324268341898af73b0f4452273f10d8c [0,0,0,0,0,2|1,0,0]=3 895 B13R1.3 CCc1ccc(cc1)OCC(=O)N 2a6f5e13d6ec46ac5f01ecb2507188b5 [0,0,0,0,0,2|2,0,0]=4 896 B13R1.3 CCc1ccc(cc1)OCC(=O)O 8b7ea8b4b4601c63cd7574d7efdf1909 [0,0,0,0,0,2|1,0,0]=3 897 B13R1.3 CCc1ccc(cn1)NCC(=O)O 1a72412b578566fd9a980478ef208fee [0,0,0,0,0,2|2,0,0]=4 898 B13R1.3 CCc1ccc(nc1)NCC(=O)O e48601baddd7c7c5262e828fe777524b [0,0,0,0,0,2|2,0,0]=4 899 B13R1.3 CCc1ccc(nc1)OCC(=O)O 85c6e6c6c201287ab0cb76f843d8d9b3 [0,0,0,0,0,2|2,0,0]=4 900 B13R1.3 COc1ccc(cc1)CNC(=O)C 0ae4191e6a57cf908d08bd6b0270fc1f [0,0,0,0,0,2|1,0,0]=3 901 B13R1.3 COc1ccc(cc1)NCC(=O)C 2abbd8e10197213a2d1ab0d62a4a5afc [0,0,0,0,0,2|1,0,0]=3 902 B13R1.3 COc1ccc(cc1)NCC(=O)N 243506660824dd70092e9d96311ee4ee [0,0,0,0,0,2|1,0,0]=3 903 B13R1.3 COc1ccc(cc1)NCC(=O)O 58c156ba556e58cf45877ed057561ab5 [0,0,0,0,0,2|0,0,0]=2 904 B13R1.3 COc1ccc(cc1)NCC(C)O dce8ae518910c8f314a95ae16fbfd582 [0,0,0,0,0,2|1,0,1]=4 905 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 5e65c1a3c47c608fd9ff63e8a5e61da4 [0,0,0,0,0,2|1,0,1]=4 906 B13R1.3 COc1ccc(cc1)NC[C@H](C)O 72635981a91f27c0fac816f03c0dd769 [0,0,0,0,0,2|1,0,1]=4 907 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 5f3de3f6cc149e0e804f5242eda9b89d [0,0,0,0,0,2|1,0,1]=4 908 B13R1.3 COc1ccc(cc1)OCC(=O)N b940e813c8faef38d4fdb9b4674bde52 [0,0,0,0,0,2|1,0,0]=3 909 B13R1.3 COc1ccc(cc1)OCC(=O)O bc90f75f0c313bf6764049d33e1db235 [0,0,0,0,0,2|0,0,0]=2 910 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 352f9366fb388ed2841cfc6e5ba282bc [0,0,0,0,0,2|1,0,1]=4 911 B13R1.3 COc1ccc(cn1)CNC(=O)C 4beaffffb405fbbb2974459ee92cc348 [0,0,0,0,0,2|2,0,0]=4 912 B13R1.3 COc1ccc(cn1)NCC(=O)C e3685957e254ed191d0a0c86e1987264 [0,0,0,0,0,2|2,0,0]=4 913 B13R1.3 COc1ccc(cn1)NCC(=O)N 2b4ad7e6be71c8a7f3d81a8312d16660 [0,0,0,0,0,2|2,0,0]=4 914 B13R1.3 COc1ccc(cn1)NCC(=O)O 690472c8a808f0f9deab8df488ed251e [0,0,0,0,0,2|1,0,0]=3 915 B13R1.3 COc1ccc(cn1)OCC(=O)N 7c253ab003572334bff07ba040382216 [0,0,0,0,0,2|2,0,0]=4 916 B13R1.3 COc1ccc(cn1)OCC(=O)O f29ebbf7db74edaf3a462ab72e9508a6 [0,0,0,0,0,2|1,0,0]=3 917 B13R1.3 COc1ccc(nc1)CNC(=O)C b7b812385f1be459c9374618b89602bd [0,0,0,0,0,2|2,0,0]=4 918 B13R1.3 COc1ccc(nc1)NCC(=O)C bb845bc853bca50314471ccbb952b341 [0,0,0,0,0,2|2,0,0]=4 919 B13R1.3 COc1ccc(nc1)NCC(=O)N d83475acf52a5d1d82ce1adeedfaaba2 [0,0,0,0,0,2|2,0,0]=4 920 B13R1.3 COc1ccc(nc1)NCC(=O)O 53a6bece814083c722f0108f2015e0e5 [0,0,0,0,0,2|1,0,0]=3 921 B13R1.3 COc1ccc(nc1)OCC(=O)N 01cbc2736160e9f5c3b9f027f98f0533 [0,0,0,0,0,2|2,0,0]=4 922 B13R1.3 COc1ccc(nc1)OCC(=O)O 8c3c969dfa406315cdff64d809275bb2 [0,0,0,0,0,2|1,0,0]=3 923 B13R1.3 COc1ccc(nn1)NCC(=O)O 6bdf93060654cf96348f52d4ba5ea016 [0,0,0,0,0,2|2,0,0]=4 924 B13R1.3 COc1cnc(cn1)NCC(=O)O 6697017871df2c2378c056a1ef1cb1be [0,0,0,0,0,2|2,0,0]=4 925 B13R1.3 COc1cnc(nc1)NCC(=O)O 11cc16911eddad8672535b050e459b5e [0,0,0,0,0,2|2,0,0]=4 926 B13R1.3 COc1ncc(cn1)NCC(=O)O c3f935105d452ea1f71930e3e1413f37 [0,0,0,0,0,2|2,0,0]=4 927 B13R1.3 COc1ncc(cn1)OCC(=O)O 46cf13522135eeea428c1a1f11865f98 [0,0,0,0,0,2|2,0,0]=4 928 B13R1.3 CSc1ccc(cc1)CNC(=O)C 1379b8b252ee6830669f69ec5b24d560 [0,0,0,0,0,2|1,1,0]=4 929 B13R1.3 CSc1ccc(cc1)NCC(=O)C 84e6d9673d665b52c2412e178bd9d3a6 [0,0,0,0,0,2|1,1,0]=4 930 B13R1.3 CSc1ccc(cc1)NCC(=O)N e7b3dd958f85d932fd96db44fdff69d0 [0,0,0,0,0,2|1,1,0]=4 931 B13R1.3 CSc1ccc(cc1)NCC(=O)O 8d7afec268b1cfa3c802cf76316a0ed4 [0,0,0,0,0,2|0,1,0]=3 932 B13R1.3 CSc1ccc(cc1)OCC(=O)N 8ec9c569ac91fc5ee4162c7fb838b8ae [0,0,0,0,0,2|1,1,0]=4 933 B13R1.3 CSc1ccc(cc1)OCC(=O)O 8b28b18c4cba68ae6973266eb53d87e8 [0,0,0,0,0,2|0,1,0]=3 934 B13R1.3 CSc1ccc(cn1)NCC(=O)O 90c5bb4b6914e7386dd5cdfbc70d9fba [0,0,0,0,0,2|1,1,0]=4 935 B13R1.3 CSc1ccc(cn1)OCC(=O)O b9b7097a968a0cc296f8ed6f5e3ceed8 [0,0,0,0,0,2|1,1,0]=4 936 B13R1.3 CSc1ccc(nc1)NCC(=O)O 0a74e935a3acdbd35e2fc66735efc659 [0,0,0,0,0,2|1,1,0]=4 937 B13R1.3 N#Cc1ccc(cc1)NCC(=O)O d9a0c464130ecfc9f4d403e5eaba82d7 [0,0,0,0,0,2|2,0,0]=4 938 B13R1.3 N#Cc1ccc(cc1)OCC(=O)O 7a17fb9f8aafdfa8fdc5b207a5601a44 [0,0,0,0,0,2|2,0,0]=4 939 B13R1.3 O=C(O)CNc1ccc(cc1)CO 2fc62de93e3da88fb3b9bafc19f3b037 [0,0,0,0,0,2|2,0,0]=4 940 B13R1.3 O=Cc1ccc(cc1)NCC(=O)O 4279b8ff5d5952db5447c26f981923e4 [0,0,0,0,0,2|2,0,0]=4 941 B13R1.3 O=Cc1ccc(cc1)OCC(=O)O 16b2f54432fa9a72e52778432904c158 [0,0,0,0,0,2|2,0,0]=4 942 B13R1.3 O=Nc1ccc(cc1)OCC(=O)O 3382d95c234091d75a5122370486b046 [0,0,0,0,0,2|2,0,0]=4