0 B23R3.109557 Cc1cc(cc(c1)c2ccc(cc2)OCC3CCOC3)C d80b99dfaa3df91199da1605586dea3f [0,0,0,0,0,0|4,0,0]=4 1 B23R3.109557 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCCO3)N 43913eb3e33b082adc1fe325f22d1879 [0,0,0,0,0,0|4,0,0]=4 2 B23R3.109557 Cc1cc(nc(c1)c2ccc(nc2)OCC3CCCC3)N cc9ea9581f26cfbf359c7a4167c63b94 [0,0,0,0,0,0|4,0,0]=4 3 B23R3.109557 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCO3 b8e432bf460b01420486064fbb14ff48 [0,0,0,0,0,0|3,0,1]=4 4 B23R3.109557 Cc1cc(nc(n1)N)c2ccc(nc2)OCC3CCCC3 2c7b3844d4f9ceaae06b8e46ae5ce5a9 [0,0,0,0,0,0|3,0,1]=4 5 B23R3.109557 Clc1cc(cc(c1)c2ccc(cc2)OCC3CCOC3)Cl 2f6a52d8fed2fc21e8fdb8b4cde7e371 [0,0,0,0,0,0|4,0,0]=4 6 B23R3.109557 Fc1cc(cc(c1)c2ccc(cc2)OCC3CCOC3)Cl 69451a765e74fb9ff845f3d31e311e4a [0,0,0,0,0,0|4,0,0]=4 7 B23R3.109557 Fc1cc(cc(c1)c2ccc(cc2)OCC3CCOC3)F ddc05a6809eebe3c6ff85bd88537ebe2 [0,0,0,0,0,0|4,0,0]=4 8 B23R3.109557 Nc1cc(cc(n1)c2ccc(cc2)OCC3CCCO3)F 5858e937a65a61669b1223f157f69386 [0,0,0,0,0,0|4,0,0]=4 9 B23R3.109557 Nc1cc(cc(n1)c2ccc(nc2)OCC3CCCC3)F 64020a869485d6b866ca94fa64a6df96 [0,0,0,0,0,0|4,0,0]=4 10 B23R3.109557 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCO3 fe3d782dbcee82ef669eac9a1ee02d7f [0,0,0,0,0,0|3,0,1]=4 11 B23R3.109557 Nc1cc(nc(n1)N)c2ccc(nc2)OCC3CCCC3 268e8840446c017acb7c4f8ac93640be [0,0,0,0,0,0|3,0,1]=4 12 B23R3.109557 Nc1nc(cc(n1)c2ccc(cc2)OCC3CCCO3)O 8f349f00aaf984cca0f1aed1018cb12e [0,0,0,0,0,0|2,0,2]=4 13 B23R3.109557 Nc1nc(nc(n1)c2ccc(cc2)NCC3CCOC3)N 16b99987c4dd0baea4c1eead4934e03d [0,0,0,0,0,0|3,0,1]=4 14 B23R3.109557 Nc1nc(nc(n1)c2ccc(cc2)NC[C@@H]3CCOC3)N 086b67de0858a978d72fae65a6e7379b [0,0,0,0,0,0|3,0,1]=4 15 B23R3.109557 Nc1nc(nc(n1)c2ccc(cc2)NC[C@H]3CCOC3)N e2131024bccbf6aa7bfb94735c6fd41e [0,0,0,0,0,0|3,0,1]=4 16 B23R3.109557 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCCO3 541fefc07fed9cb57664e859d945aed4 [0,0,0,0,0,0|3,0,1]=4 17 B23R3.109557 O=c1cc([nH]c(=O)[nH]1)c2ccc(nc2)OCC3CCCC3 16b959146dfc44710dc1c8bd71fc3b4d [0,0,0,0,0,0|3,0,1]=4 18 B23R3.109557 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CC=CC3 d0f8e4602136c187865d4fd7c254c660 [0,0,0,0,0,0|2,0,2]=4 19 B23R3.109557 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCCC3 ceb49c145ccaa116f11ac3a98a329ec6 [0,0,0,0,0,0|2,0,1]=3 20 B23R3.109557 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCCO3 b9f127f3f380b7946d40440a134d04bf [0,0,0,0,0,0|3,0,1]=4 21 B23R3.109557 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCOC3 64d58986add65fc80455d54152b6f25a [0,0,0,0,0,0|1,0,1]=2 22 B23R3.109557 O=c1nc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCCO3 45cfe7cebd42c2472990bf504bb2c55a [0,0,0,0,0,0|4,0,0]=4 23 B22R3.11510 Cc1cccc(c1)c2ccc(cc2)OCC3CCOC3 c5b9e99f0c70415c8110ac885fd48156 [1,0,0,0,0,0|3,0,0]=4 24 B22R3.11510 Clc1cccc(c1)c2ccc(cc2)OCC3CCOC3 aa0e45d542c2a2076db0374919781336 [1,0,0,0,0,0|3,0,0]=4 25 B22R3.11510 Fc1cccc(c1)c2ccc(cc2)OCC3CCOC3 104db5d963e0594b46ab9a33e41cfb54 [1,0,0,0,0,0|3,0,0]=4 26 B22R3.11510 Nc1cccc(n1)c2ccc(cc2)OCC3CCCO3 6394d8402b696af1170e1ee6012cb7f9 [1,0,0,0,0,0|3,0,0]=4 27 B22R3.11510 Nc1cccc(n1)c2ccc(nc2)OCC3CCCC3 5fde966ae592889a13f2879ccc58a669 [1,0,0,0,0,0|3,0,0]=4 28 B22R3.11510 Nc1nccc(n1)c2ccc(cc2)OCC3CCCO3 e2f434da2a76e12f350dfaa55751b2cc [1,0,0,0,0,0|2,0,1]=4 29 B22R3.11510 Nc1nccc(n1)c2ccc(nc2)OCC3CCCC3 cfedafc6928f5edae225722ed2001f6d [1,0,0,0,0,0|2,0,1]=4 30 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CC=CC3 df4ccfe3180797b1caf921a6b577a54d [1,0,0,0,0,0|2,0,1]=4 31 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCC3 6b2c5f4b4db21162818b3b87bdc6f04c [1,0,0,0,0,0|2,0,0]=3 32 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCO3 cb0f932a520ff315ff83c64182d99a29 [1,0,0,0,0,0|3,0,0]=4 33 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCOC3 4494a80e97448df715ecef6bd9899595 [1,0,0,0,0,0|1,0,0]=2 34 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@@H]3CCCO3 4a49bc69be731862807528797a6bab0f [1,0,0,0,0,0|3,0,0]=4 35 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@@H]3CCOC3 7a0e60af024f0b0df596a5aa9c0cb17b [1,0,0,0,0,0|1,0,0]=2 36 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@H]3CCCO3 2928fc7461234717887f34695e66b5a5 [1,0,0,0,0,0|3,0,0]=4 37 B22R3.11510 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@H]3CCOC3 7c4ebaaa3cf84eda94ca24f4a7bf0bf0 [1,0,0,0,0,0|1,0,0]=2 38 B22R3.11510 O=c1nc(cc[nH]1)c2ccc(cc2)OCC3CCCO3 f9f997243e1f90731090cdb11a7e6c9a [1,0,0,0,0,0|3,0,0]=4 39 B22R3.11510 O=c1nc(cc[nH]1)c2ccc(nc2)OCC3CCCC3 5f639f07e910f896f1e45c8fdce94d7d [1,0,0,0,0,0|3,0,0]=4 40 B22R3.11510 Sc1nccc(n1)c2ccc(cc2)NCC3CCOC3 38d6e0f8af8d3ed46dfff4dfbdf9f6ac [1,0,0,0,0,0|2,0,1]=4 41 B24R3.10905913 CN1CCC(C1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 90bf9b05677855ee8458aa474b0155c6 [0,1,0,0,0,0|2,0,1]=4 42 B24R3.23469923 Cn1c(nc(cc1=O)c2ccc(cc2)OCC3CCCO3)N ba26e19a81d6c778b0e6a3bfeeced96e [0,1,0,0,0,0|2,0,0]=3 43 B24R3.23469923 Cn1c(nc(cc1=O)c2ccc(nc2)OCC3CCCC3)N 226a3fc7551828d69bdfd064a41abd42 [0,1,0,0,0,0|2,0,0]=3 44 B24R3.24426431 CC1COCC1COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 1b619b91e12c5af4c6ebf9838cdf75f4 [0,1,0,0,0,0|1,0,1]=3 45 B24R3.211465357 CC1(CCCC1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 3e0c5d14d7d1421524376a5d97b2be5a [0,1,0,0,0,0|2,0,1]=4 46 B24R3.211465357 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3(CCCC3)F d73c46e1ea5d4a46e2772701c0ebd702 [0,1,0,0,0,0|2,0,1]=4 47 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 4cb74212e03c609e71a3954ed030ab85 [0,0,1,0,0,0|2,0,1]=4 48 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 e693c3adf28ae6afe80c9e32eb62cfb0 [0,0,1,0,0,0|2,0,1]=4 49 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(cc(n2)N)C d432fafe2ba00f5276b58f6e8b80fb27 [0,0,1,0,0,0|3,0,0]=4 50 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(cc(n2)N)F e2c9e28bd531cc097d40579344c663ee [0,0,1,0,0,0|3,0,0]=4 51 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(nc(n2)N)C e2cb3380440ba715e1417fcad4eea35c [0,0,1,0,0,0|2,0,1]=4 52 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(nc(n2)N)N 18ac11b27735b33ce88e6c5ecee0b28c [0,0,1,0,0,0|2,0,1]=4 53 B22R2.8597381 CCCCCCOc1ccc(cc1)c2cc(nc(n2)N)O 70ae3dbf627894fe731d4677e88eea1b [0,0,1,0,0,0|1,0,2]=4 54 B22R2.8597381 CCCCCCOc1ccc(cc1)c2nc(=O)[nH]c(=O)[nH]2 c6816007a4b0c60d97dcf058d88428d6 [0,0,1,0,0,0|3,0,0]=4 55 B22R2.8597381 CCCCCCOc1ccc(cc1)c2nc([nH]c(=O)n2)C 26fdeab3011432a643d6b4e837cd331c [0,0,1,0,0,0|3,0,0]=4 56 B22R2.8597381 CCOCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 f5fc27bf7c50e9bdf8386f090881db89 [0,0,1,0,0,0|1,0,1]=3 57 B22R2.8597381 CCSCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 869b5019ddc32cff4cf726dbb0c750f5 [0,0,1,0,0,0|1,1,1]=4 58 B22R2.8597381 COCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 97c5e2cfd104310fd30a489cd235ca6e [0,0,1,0,0,0|1,0,1]=3 59 B22R2.8597381 COCCOCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 777ca49062946e2b35a69863da65da44 [0,0,1,0,0,0|2,0,1]=4 60 B22R2.8597381 COCOCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 3537645e7c4e4941c14e287972473abd [0,0,1,0,0,0|2,0,1]=4 61 B22R2.37843096 CCCC(C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 a3a0e1feb25a22800380a400aa0a36ec [0,0,1,0,0,0|2,0,1]=4 62 B22R2.37843096 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC[C@@H](O)CCO 727bf5b0db56aebd90a7689f6813ed3d [0,0,1,0,0,0|2,0,1]=4 63 B22R2.38749132 CCC(CC)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 fb57f756760952cf4ee7b53098e00c6f [0,0,1,0,0,0|2,0,1]=4 64 B22R3.11261 Cc1nc(cn1C)c2ccc(cc2)OCC3CCOC3 c468562450fc86404be14bc9916fc64f [0,0,0,0,1,0|3,0,0]=4 65 B22R3.11261 Cn1cc(nc1S)c2ccc(cc2)OCC3CCOC3 0996b78af581f3458defeddbfe70b471 [0,0,0,0,1,0|3,0,0]=4 66 B22R3.221771 Cc1cc(cc(=O)o1)c2ccc(cc2)OC3CCOC3 f2a00af86cc8e54df1d86d5217081b92 [0,0,0,0,1,0|3,0,0]=4 67 B22R3.221771 Cc1cc(cc(c1)c2ccc(cc2)OC3CCOC3)N 66b178085965d6be8965371bea82b72e [0,0,0,0,1,0|3,0,0]=4 68 B22R3.221771 Cc1cc(cc(n1)N)c2ccc(cc2)OC3CCOC3 15d46ff195300d5c7922a1a7d03ef79a [0,0,0,0,1,0|2,0,1]=4 69 B22R3.221771 Cc1cc(cc(n1)c2ccc(cc2)OC3CCOC3)F bfa06762ac0ec4a2962e7067cd2663d4 [0,0,0,0,1,0|3,0,0]=4 70 B22R3.221771 Cc1cc(cc(n1)c2ccc(cc2)OC3CCOC3)N a3e4c3e9e4e686cf43365ede8a2df148 [0,0,0,0,1,0|3,0,0]=4 71 B22R3.221771 Cc1cc(nc(c1)c2ccc(cc2)OC3CCCC3)N 8dd6ebd1e3b62c9761e35030426a4c0a [0,0,0,0,1,0|3,0,0]=4 72 B22R3.221771 Cc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)C fba73840359bbf33764f86ddd9f8da88 [0,0,0,0,1,0|3,0,0]=4 73 B22R3.221771 Cc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)F 68cce0bcadd02c0fa0e0116f0202a79e [0,0,0,0,1,0|3,0,0]=4 74 B22R3.221771 Cc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)N 194114b55e4fe0367344bc20fcb344fb [0,0,0,0,1,0|2,0,0]=3 75 B22R3.221771 Cc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)O 13cf38d7c0c4c5a602cacda82cba9528 [0,0,0,0,1,0|3,0,0]=4 76 B22R3.221771 Cc1cc(nc(c1)c2ccc(nc2)OC3CCOC3)N 0926632be2a28101c2cf5aeba3ff08cb [0,0,0,0,1,0|3,0,0]=4 77 B22R3.221771 Cc1cc(nc(n1)C)c2ccc(cc2)OC3CCOC3 774e0d742b1677f19fc2de20a99edd71 [0,0,0,0,1,0|2,0,1]=4 78 B22R3.221771 Cc1cc(nc(n1)N)c2ccc(cc2)OC3CCCC3 aa8fc6835181bb862c0b01195a644850 [0,0,0,0,1,0|2,0,1]=4 79 B22R3.221771 Cc1cc(nc(n1)N)c2ccc(cc2)OC3CCOC3 a3c2eded7562a07ee5f5f5875b0b6b20 [0,0,0,0,1,0|1,0,1]=3 80 B22R3.221771 Cc1cc(nc(n1)N)c2ccc(nc2)OC3CCOC3 1642d30c30664a63039961982482b0bb [0,0,0,0,1,0|2,0,1]=4 81 B22R3.221771 Cc1cc(nc(n1)c2ccc(cc2)OC3CCOC3)N ec5e189e815d5fa0b4f71f9505520a17 [0,0,0,0,1,0|3,0,0]=4 82 B22R3.221771 Cc1nc(cc(n1)c2ccc(cc2)OC3CCOC3)N 47e71f04d0aa087f4cb11429d95d564c [0,0,0,0,1,0|2,0,1]=4 83 B22R3.221771 Cc1nc(cc(n1)c2ccc(cc2)OC3CCOC3)O 320ecb47373af632cc1dbee1648a91e0 [0,0,0,0,1,0|1,0,2]=4 84 B22R3.221771 Cc1nc(nc(=O)[nH]1)c2ccc(nc2)OC3CCOC3 ef3aa32bd4cee003e2bbffa2b2b77dae [0,0,0,0,1,0|3,0,0]=4 85 B22R3.221771 Cc1nc(nc(n1)c2ccc(cc2)OC3CCOC3)N b611c8ebac074650f99aa0116acf003d [0,0,0,0,1,0|2,0,1]=4 86 B22R3.221771 Fc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)F cf7a706fb52598fdfb162c260c37d868 [0,0,0,0,1,0|3,0,0]=4 87 B22R3.221771 Nc1cc(cc(c1)c2ccc(cc2)OC3CCOC3)F f2e0cc9b97fc9d1561d16020e0b6dba0 [0,0,0,0,1,0|3,0,0]=4 88 B22R3.221771 Nc1cc(cc(c1)c2ccc(cc2)OC3CCOC3)N 3d6fbb74ad4ea900dffa634054f1dd8d [0,0,0,0,1,0|3,0,0]=4 89 B22R3.221771 Nc1cc(cc(c1)c2ccc(cc2)OC3CCOC3)O dbe026c3e70a3c3010bbb8eedc5aa662 [0,0,0,0,1,0|2,0,1]=4 90 B22R3.221771 Nc1cc(cc(n1)F)c2ccc(cc2)OC3CCOC3 46c530e7c6c0d771031d05c07dcb809d [0,0,0,0,1,0|2,0,1]=4 91 B22R3.221771 Nc1cc(cc(n1)N)c2ccc(cc2)OC3CCOC3 511172fddfdf31946614485f6e1b8f22 [0,0,0,0,1,0|2,0,1]=4 92 B22R3.221771 Nc1cc(cc(n1)O)c2ccc(cc2)OC3CCOC3 a08091f87407abb0d94c7957c7b34c90 [0,0,0,0,1,0|1,0,2]=4 93 B22R3.221771 Nc1cc(cc(n1)c2ccc(cc2)OC3CCCC3)F 102503befb7cb2c0aa43dfd3d5b38202 [0,0,0,0,1,0|3,0,0]=4 94 B22R3.221771 Nc1cc(cc(n1)c2ccc(cc2)OC3CCOC3)F 69d0b79029a2cf042db17104df84396a [0,0,0,0,1,0|2,0,0]=3 95 B22R3.221771 Nc1cc(cc(n1)c2ccc(nc2)OC3CCOC3)F edc238a03b48899e655cd2ca56fc4881 [0,0,0,0,1,0|3,0,0]=4 96 B22R3.221771 Nc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)F 32dd1625e4c228e96c53a69d0870618f [0,0,0,0,1,0|3,0,0]=4 97 B22R3.221771 Nc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)O 1f6659df8293c29e4ff643699a1b3d9a [0,0,0,0,1,0|3,0,0]=4 98 B22R3.221771 Nc1cc(nc(n1)N)c2ccc(cc2)OC3CCCC3 61c8b9f49705061625cdc32140a6f6b6 [0,0,0,0,1,0|2,0,1]=4 99 B22R3.221771 Nc1cc(nc(n1)N)c2ccc(cc2)OC3CCOC3 3614bae60aa32cb7db3b6a4d897e124a [0,0,0,0,1,0|1,0,1]=3 100 B22R3.221771 Nc1cc(nc(n1)N)c2ccc(nc2)OC3CCOC3 2a85e6e37577a3d1e30cdb5c7ecffa89 [0,0,0,0,1,0|2,0,1]=4 101 B22R3.221771 Nc1cc(nc(n1)c2ccc(cc2)OC3CCOC3)N bee97e1fde7cbdc1df028cc5d7af1a01 [0,0,0,0,1,0|3,0,0]=4 102 B22R3.221771 Nc1nc(cc(n1)c2ccc(cc2)OC3CCCC3)O 339403655de838e0d36c9ef54ca91dc9 [0,0,0,0,1,0|1,0,2]=4 103 B22R3.221771 Nc1nc(cc(n1)c2ccc(nc2)OC3CCOC3)O 78557ea930e24be6e5dbe7cf04ad232e [0,0,0,0,1,0|1,0,2]=4 104 B22R3.221771 Nc1nc(nc(n1)c2ccc(cc2)OC3CCOC3)N 7717ac266b6f6e4cab67b2f2dd1172ee [0,0,0,0,1,0|2,0,1]=4 105 B22R3.221771 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OC3CCCC3 b286ff5d648c1583856e740f7d372c79 [0,0,0,0,1,0|2,0,1]=4 106 B22R3.221771 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OC3CCOC3 273ba626777d7a678acf1059f3b61aad [0,0,0,0,1,0|1,0,1]=3 107 B22R3.221771 O=c1cc([nH]c(=O)[nH]1)c2ccc(nc2)OC3CCOC3 f296d87277b19076101d274040745216 [0,0,0,0,1,0|2,0,1]=4 108 B22R3.221771 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3CCCC3 79addead12282d7496f84ad57ef33374 [0,0,0,0,1,0|2,0,1]=4 109 B22R3.221771 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3CCOC3 faca88effd1a745c1efc81cd961cb15c [0,0,0,0,1,0|1,0,1]=3 110 B22R3.221771 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)O[C@@H]3CCOC3 3c5aa700ad01fe6b115e00dec246d176 [0,0,0,0,1,0|1,0,1]=3 111 B22R3.221771 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)O[C@H]3CCOC3 9bc8f5dca6ca507592a39263f84e4218 [0,0,0,0,1,0|1,0,1]=3 112 B22R3.221771 O=c1nc([nH]c(=O)[nH]1)c2ccc(nc2)OC3CCOC3 e93a51909aad63e32533a63116451ee9 [0,0,0,0,1,0|3,0,0]=4 113 B22R3.221777 Cc1cc(nc(c1)c2ccc(nc2)OCC3CCC3)N 313d0d568dd1ba9e46f9a5326bec4591 [0,0,0,0,1,0|3,0,0]=4 114 B22R3.221777 Cc1cc(nc(n1)N)c2ccc(nc2)OCC3CCC3 1975d89e1e39b66f76c178ce04796d9f [0,0,0,0,1,0|2,0,1]=4 115 B22R3.221777 Nc1cc(cc(n1)c2ccc(nc2)OCC3CCC3)F c1ff7631f7985918c7188227806d61d8 [0,0,0,0,1,0|3,0,0]=4 116 B22R3.221777 Nc1cc(nc(n1)N)c2ccc(nc2)OCC3CCC3 5ebe946232b6095d73f2442ea93e2040 [0,0,0,0,1,0|2,0,1]=4 117 B22R3.221777 O=c1cc([nH]c(=O)[nH]1)c2ccc(nc2)OCC3CCC3 f625f934fa81773beebb351299fa0e87 [0,0,0,0,1,0|2,0,1]=4 118 B22R3.221777 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCC3 acfe625a2272f8d872b5189e51a0b310 [0,0,0,0,1,0|1,0,1]=3 119 B22R3.221777 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCO3 5d6612f4189018454a5ecfc8041f649d [0,0,0,0,1,0|1,0,1]=3 120 B22R3.221777 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3COC3 fba99da01c165eae904b32b6efd8417a [0,0,0,0,1,0|1,0,1]=3 121 B22R3.221777 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC[C@@H]3CCO3 49a448ff06ddee711f3d6437aaf1b83e [0,0,0,0,1,0|1,0,1]=3 122 B22R3.221777 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC[C@H]3CCO3 0534d9e1e18070516f363dac1c80d38f [0,0,0,0,1,0|1,0,1]=3 123 B22R3.236768 Cc1sc(nc1c2ccc(cc2)NCC3CCOC3)N f361d503be6bfd54d9277b7586624046 [0,0,0,0,1,0|3,0,0]=4 124 B22R3.236768 Cc1sc(nc1c2ccc(cc2)NC[C@@H]3CCOC3)N 4675e9f66bd9e3c639f394af6b72f72d [0,0,0,0,1,0|3,0,0]=4 125 B22R3.236768 Cc1sc(nc1c2ccc(cc2)NC[C@H]3CCOC3)N cea4a5327adf76edb9759ae6f84df259 [0,0,0,0,1,0|3,0,0]=4 126 B22R3.236768 O=C1CN(C(=O)N1)c2ccc(cc2)OCC3CCOC3 cb4ba842b82b78de4deeb7c9d3b4af43 [0,0,0,0,1,0|2,0,1]=4 127 B22R3.236768 O=C1NC(=O)C(N1)c2ccc(cc2)OCC3CCOC3 a3684610b7808144b319c6f7a4a52650 [0,0,0,0,1,0|1,0,2]=4 128 B24R3.19008 Cc1cc(cc(=O)o1)c2ccc(cc2)OCC3CCOCC3 4870387faffefaaa6b68ec906d13a6d9 [0,0,0,0,0,1|3,0,0]=4 129 B24R3.19008 Cc1cc(cc(c1)c2ccc(cc2)OCC3CCOCC3)N 881a13ea287d6ac2b1afd7e4e679ca4e [0,0,0,0,0,1|3,0,0]=4 130 B24R3.19008 Cc1cc(cc(n1)N)c2ccc(cc2)OCC3CCOCC3 aac54d3bb5ba9520d0df0aacd7d7a124 [0,0,0,0,0,1|2,0,1]=4 131 B24R3.19008 Cc1cc(cc(n1)c2ccc(cc2)OCC3CCOCC3)F 864ea124d6f63f1ec8940485b44f3710 [0,0,0,0,0,1|3,0,0]=4 132 B24R3.19008 Cc1cc(cc(n1)c2ccc(cc2)OCC3CCOCC3)N 2a7ffa0f00cb6cef0b7fbcc74f0b83e8 [0,0,0,0,0,1|3,0,0]=4 133 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CC=CCC3)N 1c32260e804ebbb0986ae960d9c08852 [0,0,0,0,0,1|3,0,0]=4 134 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCCCC3)N ba9fd3db6cbe3bee9635d850f6f93aef [0,0,0,0,0,1|3,0,0]=4 135 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCCCO3)N 6fd09b0650462706387a402e6567c75d [0,0,0,0,0,1|3,0,0]=4 136 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)C 378dae427900302b7eb5fa6bde2ea583 [0,0,0,0,0,1|3,0,0]=4 137 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)F eb2bc9d0629fa99c8462edcf67187dc8 [0,0,0,0,0,1|3,0,0]=4 138 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)N 81d3b35be5dc85dfa96bde900feba262 [0,0,0,0,0,1|2,0,0]=3 139 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)O c9e13f3c441edaab42e9de4dcdc06ed0 [0,0,0,0,0,1|3,0,0]=4 140 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3COCCO3)C e6f00d19fbdc562a1f33a39cac44fd5e [0,0,0,0,0,1|3,0,0]=4 141 B24R3.19008 Cc1cc(nc(c1)c2ccc(cc2)OCC3COCCO3)F 860cef12125424e2f88f06f1a5517095 [0,0,0,0,0,1|3,0,0]=4 142 B24R3.19008 Cc1cc(nc(n1)C)c2ccc(cc2)OCC3CCOCC3 f02e4607ddfb1bc789bd178c460b1eba [0,0,0,0,0,1|2,0,1]=4 143 B24R3.19008 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CC=CCC3 56f7e74c5fe30a2391572662c776ba18 [0,0,0,0,0,1|2,0,1]=4 144 B24R3.19008 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCCC3 02c2cfc434132de4d75f9b3b150f6462 [0,0,0,0,0,1|2,0,1]=4 145 B24R3.19008 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCCO3 587b5ea40a63d4f0e618dcfcfcc1b9e8 [0,0,0,0,0,1|2,0,1]=4 146 B24R3.19008 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CCOCC3 3051081c2ea36516f8e0810e5bf09aab [0,0,0,0,0,1|1,0,1]=3 147 B24R3.19008 Cc1cc(nc(n1)c2ccc(cc2)OCC3CCOCC3)N dcf0914c18ba9a3873354ff6094b61a3 [0,0,0,0,0,1|3,0,0]=4 148 B24R3.19008 Cc1nc(cc(n1)c2ccc(cc2)OCC3CCOCC3)N 52f7e33b5abb0f6d5bc0a4892ad099e6 [0,0,0,0,0,1|2,0,1]=4 149 B24R3.19008 Cc1nc(cc(n1)c2ccc(cc2)OCC3CCOCC3)O bb9df6d8fee93131b260f10bbe629754 [0,0,0,0,0,1|1,0,2]=4 150 B24R3.19008 Cc1nc(nc(=O)[nH]1)c2ccc(cc2)OCC3CC=CCC3 fb26aae038f33d182cac948a5106a40f [0,0,0,0,0,1|3,0,0]=4 151 B24R3.19008 Cc1nc(nc(n1)c2ccc(cc2)OCC3CCOCC3)N 4d1d545cda00703cf8c33bca1c5cdf1d [0,0,0,0,0,1|2,0,1]=4 152 B24R3.19008 Fc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)F e90fe611190252ac2548481d4272c54d [0,0,0,0,0,1|3,0,0]=4 153 B24R3.19008 Nc1cc(cc(c1)c2ccc(cc2)OCC3CCOCC3)F d9604e41b94012e990fa12bffc1280ce [0,0,0,0,0,1|3,0,0]=4 154 B24R3.19008 Nc1cc(cc(c1)c2ccc(cc2)OCC3CCOCC3)N 07af6885cc62775f838cd7f60c86e566 [0,0,0,0,0,1|3,0,0]=4 155 B24R3.19008 Nc1cc(cc(c1)c2ccc(cc2)OCC3CCOCC3)O 7fb8330ff4fd8dc51ffcfc7b3a646535 [0,0,0,0,0,1|2,0,1]=4 156 B24R3.19008 Nc1cc(cc(n1)F)c2ccc(cc2)OCC3CCOCC3 f75899307e915d191ce8822280a046ad [0,0,0,0,0,1|2,0,1]=4 157 B24R3.19008 Nc1cc(cc(n1)N)c2ccc(cc2)OCC3CCOCC3 b5d9b83a69abdda0e9997197fccb8117 [0,0,0,0,0,1|2,0,1]=4 158 B24R3.19008 Nc1cc(cc(n1)O)c2ccc(cc2)OCC3CCOCC3 3770c65080c2ca08704bcdab7aade002 [0,0,0,0,0,1|1,0,2]=4 159 B24R3.19008 Nc1cc(cc(n1)c2ccc(cc2)OCC3CC=CCC3)F b475e7d62d97f5075b028726ec605f56 [0,0,0,0,0,1|3,0,0]=4 160 B24R3.19008 Nc1cc(cc(n1)c2ccc(cc2)OCC3CCCCC3)F 31a1e13643b499873bcd32775c3c1a15 [0,0,0,0,0,1|3,0,0]=4 161 B24R3.19008 Nc1cc(cc(n1)c2ccc(cc2)OCC3CCCCO3)F ef4c48631af78b2afddfbc59072f9041 [0,0,0,0,0,1|3,0,0]=4 162 B24R3.19008 Nc1cc(cc(n1)c2ccc(cc2)OCC3CCOCC3)F 82836bf78c3f4cf38a02af972de63ae7 [0,0,0,0,0,1|2,0,0]=3 163 B24R3.19008 Nc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)F de0626cd7738f43e8c0d8f7806433da4 [0,0,0,0,0,1|3,0,0]=4 164 B24R3.19008 Nc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)O 5d5672ee3ae86086747c2092d6f17e20 [0,0,0,0,0,1|3,0,0]=4 165 B24R3.19008 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CC=CCC3 518be33e5b6440378aa9f307fef66b07 [0,0,0,0,0,1|2,0,1]=4 166 B24R3.19008 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCCC3 3cff45a88415129d71534ede46d7c5dd [0,0,0,0,0,1|2,0,1]=4 167 B24R3.19008 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CCCCO3 c15a2b3a8b604829afbc9257f2638845 [0,0,0,0,0,1|2,0,1]=4 168 B24R3.19008 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CCOCC3 0c8792cd17b064866c615e94a33d1961 [0,0,0,0,0,1|1,0,1]=3 169 B24R3.19008 Nc1cc(nc(n1)c2ccc(cc2)OCC3CCOCC3)N 8d444d8d9321d0ea2a7b9e6d20f3479b [0,0,0,0,0,1|3,0,0]=4 170 B24R3.19008 Nc1cc(nc(n1)c2ccc(cc2)OCC3CCOCC3)O c760cd1a8afe3f3f00e901fb56ca7f69 [0,0,0,0,0,1|2,0,1]=4 171 B24R3.19008 Nc1nc(cc(n1)c2ccc(cc2)OCC3CC=CCC3)O efd93957df1272e83a718b4e5b927850 [0,0,0,0,0,1|1,0,2]=4 172 B24R3.19008 Nc1nc(cc(n1)c2ccc(cc2)OCC3CCCCO3)O 81def445609cc973140e9b9c2b467b65 [0,0,0,0,0,1|1,0,2]=4 173 B24R3.19008 Nc1nc(nc(n1)c2ccc(cc2)OCC3CCOCC3)N 4c771dd18e95947da1696fee398069a1 [0,0,0,0,0,1|2,0,1]=4 174 B24R3.19008 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CC=CCC3 7d3b11f91683dafb3af67b51a4cf7cfc [0,0,0,0,0,1|2,0,1]=4 175 B24R3.19008 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCCCC3 0e29313c4cfb4beec5dd5b24d8c99924 [0,0,0,0,0,1|2,0,1]=4 176 B24R3.19008 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCCCO3 4765fe89a8a0deb6d0131893b53ccc7e [0,0,0,0,0,1|2,0,1]=4 177 B24R3.19008 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCOCC3 363f02bc3854e64b4e51d1e219237b51 [0,0,0,0,0,1|1,0,1]=3 178 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3=CCOCC3 15004a3f6e5294dd9359025e25593007 [0,0,0,0,0,1|1,0,2]=4 179 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CC=CCC3 67b12d952910007a3729926018173545 [0,0,0,0,0,1|2,0,1]=4 180 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCCCC3 f695b3e09a86cb62b137af285ea3f979 [0,0,0,0,0,1|2,0,1]=4 181 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCCCO3 7dd996d4f45ae78ca2977fd52f8eaae5 [0,0,0,0,0,1|2,0,1]=4 182 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCCOC3 58a632a753da1efb47f80865362d5312 [0,0,0,0,0,1|1,0,1]=3 183 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCOCC3 aa26193953e3d307db4bd9a818b09d1c [0,0,0,0,0,1|1,0,1]=3 184 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CCSCC3 04717fd674f3fe0ec5f3e46afe840d0d [0,0,0,0,0,1|1,1,1]=4 185 B24R3.19008 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3COCCO3 c04b0d9573041755e1b130829f94a150 [0,0,0,0,0,1|1,0,1]=3 186 B24R3.19008 O=c1nc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CC=CCC3 e9d6be5655ec2e284368674658697175 [0,0,0,0,0,1|3,0,0]=4 187 B24R3.19008 O=c1nc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CCCCO3 cb8f13e9af65cf97ca24ac86f76dc607 [0,0,0,0,0,1|3,0,0]=4 188 B24R3.2360030 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3CCCC3 7db86a3cbcc8d92e810f63eb3368298e [0,0,0,0,0,1|2,0,1]=4 189 B24R3.2360030 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3CCOC3 e2ecd7516294db93359003f44131300c [0,0,0,0,0,1|1,0,1]=3 190 B24R3.2360189 Nc1cc(=O)[nH]c(n1)Nc2ccc(cc2)NCC3CCOC3 c20f949177f5141f40c9b8461206e72e [0,0,0,0,0,1|3,0,0]=4 191 B24R3.2360189 Nc1cc(=O)[nH]c(n1)Nc2ccc(cc2)NC[C@@H]3CCOC3 fc4fc13d35a78bc8209152dd1461a808 [0,0,0,0,0,1|3,0,0]=4 192 B24R3.2360189 Nc1cc(=O)[nH]c(n1)Nc2ccc(cc2)NC[C@H]3CCOC3 411035e47e85ede3901bbc753f427373 [0,0,0,0,0,1|3,0,0]=4 193 B21R2.285 CCCCCCNc1ccc(cc1)c2cc(=O)[nH]cn2 328360dfb63e1041222f883d504b10ac [1,0,1,0,0,0|2,0,0]=4 194 B21R2.285 CCCCCCOc1ccc(cc1)c2cc[nH]c(=O)n2 47ee7fea16125445c84642f191ac6abf [1,0,1,0,0,0|2,0,0]=4 195 B21R2.285 CCCCCCOc1ccc(cc1)c2cccc(n2)N c68823690020b6d1b7fc6aa3a4803554 [1,0,1,0,0,0|2,0,0]=4 196 B21R2.285 CCCCCCOc1ccc(cc1)c2ccnc(n2)N c8ebbd16ea14c56777b30f0deba27f84 [1,0,1,0,0,0|1,0,1]=4 197 B21R2.285 CCOCCCNc1ccc(cc1)c2cc(=O)[nH]cn2 b4d25aa578476512bce43d75382e647a [1,0,1,0,0,0|1,0,0]=3 198 B21R2.285 COCCCCNc1ccc(cc1)c2cc(=O)[nH]cn2 4b9459ac6215c5d754816acc98fa03f0 [1,0,1,0,0,0|1,0,0]=3 199 B21R2.285 CSCCCCNc1ccc(cc1)c2cc(=O)[nH]cn2 379811a70dcc7da9587c1ef9d369a7fd [1,0,1,0,0,0|1,1,0]=4 200 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 29e5a8958da6d0035e0e0d4e94c9612d [1,0,1,0,0,0|1,0,1]=4 201 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 444ead51ecd15b6348851e0f77a35db5 [1,0,1,0,0,0|1,0,1]=4 202 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(cc(n2)N)C 69a3860a7de6c52e4c446a11c0a5eef0 [1,0,1,0,0,0|2,0,0]=4 203 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(cc(n2)N)F 377d7c537d05ed63f206833060c15486 [1,0,1,0,0,0|2,0,0]=4 204 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(nc(n2)N)C cb3bed52a767c59aa4a269bb1c24f992 [1,0,1,0,0,0|1,0,1]=4 205 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(nc(n2)N)N c40911cfc5b0593e2cf626febc3a13bd [1,0,1,0,0,0|1,0,1]=4 206 B21R2.4864640 CCCCCOc1ccc(cc1)c2cc(nc(n2)N)O 5cdd1205fd88cdc8e23a41b585aa73dd [1,0,1,0,0,0|0,0,2]=4 207 B21R2.4864640 CCCCCOc1ccc(cc1)c2nc(=O)[nH]c(=O)[nH]2 24eb17dbbd2cb87fdc7791389bfc253a [1,0,1,0,0,0|2,0,0]=4 208 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 195acdf27959e02c5213b26165ace3ea [1,0,1,0,0,0|1,0,1]=4 209 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 ba80e25d4f433790a9e389d407077487 [1,0,1,0,0,0|1,0,1]=4 210 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(cc(n2)N)C 09d1282eb53b3e9a87ee47a0b7c011f9 [1,0,1,0,0,0|2,0,0]=4 211 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(cc(n2)N)F 1e4c89a7bb0136c5d14c8bafb4db6602 [1,0,1,0,0,0|2,0,0]=4 212 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(nc(n2)N)C 49e04482cf11ffe78f486aeeffb4b330 [1,0,1,0,0,0|1,0,1]=4 213 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(nc(n2)N)N ad78456f9d8b042c99f51f9b0df7d095 [1,0,1,0,0,0|1,0,1]=4 214 B21R2.4864640 CCOCCOc1ccc(cc1)c2cc(nc(n2)N)O 4c985a60178ae72ca599dcdcdd6716ad [1,0,1,0,0,0|0,0,2]=4 215 B21R2.4864640 CCOCCOc1ccc(cc1)c2nc(=O)[nH]c(=O)[nH]2 677a753b93879cc5cbb5c9ae63b60926 [1,0,1,0,0,0|2,0,0]=4 216 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 325db7700f3830a02a29f23d6ee45f22 [1,0,1,0,0,0|1,0,1]=4 217 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 c1179c3158bd0d5b682bd3f0a588859e [1,0,1,0,0,0|1,0,1]=4 218 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(cc(n2)N)C 1230bd52fae33da93641ee6a7bef0ba6 [1,0,1,0,0,0|2,0,0]=4 219 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(cc(n2)N)F 89fc6647ec96ac68ac7c5b21de4c21c2 [1,0,1,0,0,0|2,0,0]=4 220 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(nc(n2)N)C 40830ec39aa98ca0897bd096cef00972 [1,0,1,0,0,0|1,0,1]=4 221 B21R2.4864640 COCCCOc1ccc(cc1)c2cc(nc(n2)N)N 20c03cb8b8fde8cd2e416f2b7f1a80cd [1,0,1,0,0,0|1,0,1]=4 222 B21R2.4864640 COCCCOc1ccc(cc1)c2nc(=O)[nH]c(=O)[nH]2 a49aaf8c7d8fd90a2c51043ed479f10d [1,0,1,0,0,0|2,0,0]=4 223 B21R2.14451 CC(CCO)CNc1ccc(cc1)c2cc(=O)[nH]cn2 b64042d78c9957fb36d91498f59f0f50 [1,0,1,0,0,0|1,0,0]=3 224 B21R2.14451 COCC(O)CNc1ccc(cc1)c2cc(=O)[nH]cn2 51e194b88ea9fdbe59a967ae457d5932 [1,0,1,0,0,0|2,0,0]=4 225 B21R2.14451 COC[C@@H](O)CNc1ccc(cc1)c2cc(=O)[nH]cn2 3377c6529de503fc7094d08914f2df06 [1,0,1,0,0,0|2,0,0]=4 226 B21R2.1141872 CCC(C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 936d1fa2500f649b1f8422544d61a621 [1,0,1,0,0,0|1,0,1]=4 227 B21R2.1141872 CC[C@@H](C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 1781b902c0dc545bd6b31abb58f81a42 [1,0,1,0,0,0|1,0,1]=4 228 B21R2.1141872 CC[C@H](C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 4d1a07b2eef378c563a6eb41c7ba70c1 [1,0,1,0,0,0|1,0,1]=4 229 B21R2.1141872 COC(C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 99f2f20fbe5855dd6d03bf9d80193b5c [1,0,1,0,0,0|1,0,1]=4 230 B21R2.1141872 CO[C@@H](C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 a5f6422ef214aca6696ad7ad828a8241 [1,0,1,0,0,0|1,0,1]=4 231 B21R2.1141872 CO[C@H](C)COc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 4e5b2c3049ba3bc6210aecf522e79a1b [1,0,1,0,0,0|1,0,1]=4 232 B21R2.14901 CCC(CC)CNc1ccc(cc1)c2cc(=O)[nH]cn2 136dc71059cd40f1bfa92af987a9c7eb [1,0,1,0,0,0|2,0,0]=4 233 B21R2.14901 CCC(CO)CNc1ccc(cc1)c2cc(=O)[nH]cn2 4ef74de7433c9a27b218d070e474bd02 [1,0,1,0,0,0|1,0,0]=3 234 B21R2.14901 CO[C@@H](CO)CNc1ccc(cc1)c2cc(=O)[nH]cn2 559b792d827a1812a36d1fe5b7b34992 [1,0,1,0,0,0|2,0,0]=4 235 B21R2.14901 O=c1cc(nc[nH]1)c2ccc(cc2)NCC(CO)CO 0ac8a4dfb63b8481325d4eb4fccfaf02 [1,0,1,0,0,0|2,0,0]=4 236 B21R3.3117 c1cc(ccn1)c2ccc(cc2)OCC3CCOC3 b82e53d711cc7047f2f38a08c4581829 [2,0,0,0,0,0|1,0,1]=4 237 B21R3.3117 c1ccc(cc1)c2ccc(cc2)OCC3CCOC3 521be493a356c94906e3b43d842f213c [2,0,0,0,0,0|2,0,0]=4 238 B21R3.3117 c1ccc(nc1)c2ccc(cc2)NCC3CCOC3 773d03bc426a0ac0bd46df8ea4867eed [2,0,0,0,0,0|2,0,0]=4 239 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCCC3 5319ece0dda12dd71bf01e7300c5a8e5 [2,0,0,0,0,0|2,0,0]=4 240 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCOC3 a3c3e3a636edc43769d2e0c573f7a1b8 [2,0,0,0,0,0|1,0,0]=3 241 B21R3.3117 c1ccc(nc1)c2ccc(cn2)OCC3CCOC3 5aa09610c9c988371f0c3a11643c6c18 [2,0,0,0,0,0|2,0,0]=4 242 B23R2.1436924 CCCOCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 e31a76acc5e64cb82df7215770141d8b [0,1,1,0,0,0|1,0,1]=4 243 B23R2.1436924 COCCCCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 d49b7afde4458e8fd7a2aab6ea4e658d [0,1,1,0,0,0|1,0,1]=4 244 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 10b7aa8389010443d811edcc8210b918 [0,1,1,0,0,0|1,0,1]=4 245 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 1dd1c57df5d734ad5141fd6fda734d8c [0,1,1,0,0,0|1,0,1]=4 246 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(cc(n2)N)C c62cb5e9ef4cc671a6f15fa221cfa7ef [0,1,1,0,0,0|2,0,0]=4 247 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(cc(n2)N)F 7135ddd22545382cf4cd0a27890b1c04 [0,1,1,0,0,0|2,0,0]=4 248 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(nc(n2)N)C d0dd83730188af0de7ee68983c4437ba [0,1,1,0,0,0|1,0,1]=4 249 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(nc(n2)N)N 36c2bb9f3afc46dd33f83be1bd75ef1e [0,1,1,0,0,0|1,0,1]=4 250 B23R2.1436924 COCCOCCOc1ccc(cc1)c2cc(nc(n2)N)O 7058083b1756be5c1276b47c64361bd8 [0,1,1,0,0,0|0,0,2]=4 251 B23R2.1436924 COCCOCCOc1ccc(cc1)c2nc(=O)[nH]c(=O)[nH]2 705006c5da6a745451fb3642c0111d31 [0,1,1,0,0,0|2,0,0]=4 252 B23R2.1436924 COCCOCCOc1ccc(cc1)c2nc([nH]c(=O)n2)C f78b2abec5332fdeb077489fc6bf9732 [0,1,1,0,0,0|2,0,0]=4 253 B23R2.12363400 CCCCCCCc1ccc(cc1)c2cc(=O)n(c(n2)N)C 965d5e3fc4706b67f1abe157bd2e4d37 [0,1,1,0,0,0|2,0,0]=4 254 B23R2.12363400 CCCCCCOc1ccc(cc1)c2cc(=O)n(c(n2)N)C f25e0924cc320298a399d9c03080113b [0,1,1,0,0,0|1,0,0]=3 255 B23R3.7490 COc1cccc(n1)c2ccc(cc2)OCC3CCOC3 2fb38c8cd5cca093a6f33da849ae40fe [1,1,0,0,0,0|2,0,0]=4 256 B23R3.7490 COc1ccnc(c1)c2ccc(cc2)OCC3CCOC3 a965e1ae0919c354347b90adb17ac961 [1,1,0,0,0,0|1,0,1]=4 257 B23R3.7490 O=Cc1cccc(c1)c2ccc(cc2)OCC3CCOC3 ff04c9444fa8edf2e9f5e30e1837888f [1,1,0,0,0,0|2,0,0]=4 258 B23R3.7490 O=Cc1cccc(n1)c2ccc(cc2)OCC3CCOC3 29534ac723d83858b3ee10ed46a49c3b [1,1,0,0,0,0|2,0,0]=4 259 B23R3.16204 CN(CC1CCCC1)c2ccc(cc2)c3cc(=O)[nH]cn3 4215c1a6e2e9da874c2e3def71f5ba4e [1,1,0,0,0,0|2,0,0]=4 260 B23R3.16204 CN(CC1CCOC1)c2ccc(cc2)c3cc(=O)[nH]cn3 783ed65b2043b99adbf5623976cd6361 [1,1,0,0,0,0|1,0,0]=3 261 B23R3.16215 CC(Nc1ccc(cc1)c2cc(=O)[nH]cn2)C3CCCC3 653c1ff6faad74cfc056f629f7daf20f [1,1,0,0,0,0|2,0,0]=4 262 B23R3.16215 C[C@@H](Nc1ccc(cc1)c2cc(=O)[nH]cn2)C3CCOC3 309dfcaf39dbe125ae04ae43acdc19e1 [1,1,0,0,0,0|1,0,0]=3 263 B23R3.66596 Cn1cnc(cc1=O)c2ccc(cc2)OCC3CCCO3 4cc20c8c629afb48cd9552bb30d19d78 [1,1,0,0,0,0|2,0,0]=4 264 B23R3.66596 Cn1cnc(cc1=O)c2ccc(nc2)OCC3CCCC3 a6dda1f2be03dbf469442abd24078416 [1,1,0,0,0,0|2,0,0]=4 265 B23R3.809791 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCC3O ccaad83dbd37e451173a9ed8209273d9 [1,1,0,0,0,0|2,0,0]=4 266 B23R3.809791 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@@H]3COC[C@@H]3O df456db441911a63ececb34a2fd2b6e8 [1,1,0,0,0,0|1,0,0]=3 267 B23R3.809793 CN1CCC(C1)CNc2ccc(cc2)c3cc(=O)[nH]cn3 5991bac4cbbfa5a3e3628cfc1e3e0758 [1,1,0,0,0,0|2,0,0]=4 268 B23R3.809793 CN1CC[C@@H](C1)CNc2ccc(cc2)c3cc(=O)[nH]cn3 eec29e44fe74f9e03ce019f7b81dd759 [1,1,0,0,0,0|2,0,0]=4 269 B23R3.809793 CN1CC[C@H](C1)CNc2ccc(cc2)c3cc(=O)[nH]cn3 50c02d48943d93132a44a2a1590bf00e [1,1,0,0,0,0|2,0,0]=4 270 B23R3.809793 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCC(C3)O 6eb63648ddf1fa2dce0760c383b59008 [1,1,0,0,0,0|2,0,0]=4 271 B23R3.17862010 CC1(CCCC1)CNc2ccc(cc2)c3cc(=O)[nH]cn3 44868ec8912e86d3de5a5bc2482817fe [1,1,0,0,0,0|2,0,0]=4 272 B23R3.17862010 CC1(CCOC1)CNc2ccc(cc2)c3cc(=O)[nH]cn3 820e3b5807b0d2fc00fa8426d08a0b31 [1,1,0,0,0,0|1,0,0]=3 273 B23R3.17862010 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3(CCCC3)F 72f40127c222b5dd7ea0a7cfc80dd2f6 [1,1,0,0,0,0|2,0,0]=4 274 B23R3.17862010 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3(CCCC3)O 21395f4eafcfe6f0d50a43d60c3f4f4f [1,1,0,0,0,0|2,0,0]=4 275 B23R3.47271 CCc1cc(nc(n1)N)c2ccc(cc2)OC3CCOC3 27e12fb8fc2c550eacc19ffd433c13cb [0,1,0,0,1,0|1,0,1]=4 276 B23R3.47271 CNc1cc(nc(n1)N)c2ccc(cc2)OC3CCOC3 76a5c2598576a12a62f5afda6f8f1988 [0,1,0,0,1,0|1,0,1]=4 277 B23R3.47271 CNc1nc(cc(n1)c2ccc(cc2)OC3CCOC3)C 7991a0056eeddc0988d0be735641cdb6 [0,1,0,0,1,0|1,0,1]=4 278 B23R3.47271 COc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)N f47abf39d18fcfa86197269ab299d422 [0,1,0,0,1,0|1,0,1]=4 279 B23R3.47271 COc1cc(nc(n1)N)c2ccc(cc2)OC3CCOC3 c232e4bdf0b39393307e31c5076b9a86 [0,1,0,0,1,0|0,0,2]=4 280 B23R3.47271 Cc1cc(cc(n1)c2ccc(cc2)OC3CCOC3)C=O 1fd96d18caf92c6b5b5566e1c0108a12 [0,1,0,0,1,0|2,0,0]=4 281 B23R3.47271 Cc1cc(nc(n1)CN)c2ccc(cc2)OC3CCOC3 15f0b81edcb040cbc104e8f1fb10185f [0,1,0,0,1,0|1,0,1]=4 282 B23R3.47271 Cc1nc(cc(n1)c2ccc(cc2)OC3CCOC3)C=O 35270dde5d98bb980d98168b906a7ceb [0,1,0,0,1,0|1,0,1]=4 283 B23R3.47271 N#Cc1cc(nc(c1)c2ccc(cc2)OC3CCOC3)N 1b10b0af519e44088a17b3203a1bd3db [0,1,0,0,1,0|2,0,0]=4 284 B23R3.47271 Nc1cc(cc(n1)c2ccc(cc2)OC3CCOC3)CO ba6332becfc3363a686b4e12c9b9c3da [0,1,0,0,1,0|1,0,1]=4 285 B23R3.1969428 Cc1cc(nc(c1C)c2ccc(cc2)OC3CCOC3)N c987359d9d9f82282a0206992464c957 [0,1,0,0,1,0|2,0,0]=4 286 B23R3.1969428 Cn1c(cc(=O)[nH]c1=O)c2ccc(cc2)OC3CCOC3 33d7885bce509a52ca3afc902c2f0b32 [0,1,0,0,1,0|1,0,1]=4 287 B23R3.1969428 Nc1nc(c(c(n1)c2ccc(cc2)OC3CCOC3)N)N 231163711ac235a8fec67facd5e71f24 [0,1,0,0,1,0|1,0,1]=4 288 B23R3.7642840 CC1CC(CO1)Oc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 a783f5bb22924b8f4d08d2bca7cdbde5 [0,1,0,0,1,0|1,0,1]=4 289 B23R3.15750422 Cc1cc(cc(=O)n1C)c2ccc(cc2)OC3CCOC3 b5b25e29045407d53338bb41b467f77a [0,1,0,0,1,0|2,0,0]=4 290 B23R3.15750422 Cc1cc(nc(c1O)N)c2ccc(cc2)OC3CCOC3 147098855e77f012d7dc2b4ddfa353f8 [0,1,0,0,1,0|2,0,0]=4 291 B23R3.15750422 Cn1c(=O)cc([nH]c1=O)c2ccc(cc2)OC3CCOC3 81020629edf9232f10e37e2f11afb3a9 [0,1,0,0,1,0|1,0,1]=4 292 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(cc2)CN3CCCC3)N 3edde4fec6b91b04cba03aa79a2c96c0 [0,1,0,0,1,0|2,0,0]=4 293 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(cc2)OC3CCCC3)N fd3ea369408988cf0fd0e12ca67d005d [0,1,0,0,1,0|1,0,0]=3 294 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(cc2)OC3CCOC3)N 6aac4473feee5d6ae945c93a9d39bcc3 [0,1,0,0,1,0|0,0,0]=2 295 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(cc2)SC3CCCC3)N b1de6682fbc26f2d6e04e12de747aad8 [0,1,0,0,1,0|1,1,0]=4 296 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(nc2)OC3CCCC3)N c6ffe8bb789d93835a88c14fae23a287 [0,1,0,0,1,0|2,0,0]=4 297 B23R3.15750422 Cn1c(nc(cc1=O)c2ccc(nc2)OC3CCOC3)N becf8745a0862bdaefc8b577361396b5 [0,1,0,0,1,0|1,0,0]=3 298 B23R3.15750422 N=c1nc(cc(n1O)N)c2ccc(cc2)OC3CCOC3 ec9323dcaf08d94be82f03e229e0a2ca [0,1,0,0,1,0|1,0,1]=4 299 B23R3.15750422 Nc1cc(nc([n+]1[O-])N)c2ccc(cc2)OC3CCOC3 1ee2b6e11ab01a6a58ca41d915c5e3d3 [0,1,0,0,1,0|1,0,1]=4 300 B23R3.7610813 CC1CC(C1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 bfb8eedee0d20b38b57c083290e9635f [0,1,0,0,1,0|1,0,1]=4 301 B23R3.7610813 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC[C@H]3C[C@H](C3)F ced0e9b09c5a5f49fdd1bcaa5c12a0b0 [0,1,0,0,1,0|1,0,1]=4 302 B23R3.127840172 Cn1c(nc(cc1=O)c2ccc(nc2)OCC3CCC3)N 5b2c887202fac5996d0ab09ea068d5ad [0,1,0,0,1,0|1,0,0]=3 303 B23R3.127849715 CC1(CCC1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 2ed7e32e5242cada874234160d4ab750 [0,1,0,0,1,0|1,0,1]=4 304 B23R3.127849715 CC1(COC1)COc2ccc(cc2)c3cc(=O)[nH]c(=O)[nH]3 50f18ef50aa54a0c62f4a12540b28674 [0,1,0,0,1,0|1,0,1]=4 305 B23R3.127849715 CC1(COC1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 1c93888b8a6814c634343945cee5db14 [0,1,0,0,1,0|1,0,1]=4 306 B23R3.127849715 CC1(COC1)COc2ccc(cc2)c3cc(cc(n3)N)F 0837f5437784d3140bcffc44aed7ad07 [0,1,0,0,1,0|2,0,0]=4 307 B23R3.127849715 CC1(COC1)COc2ccc(cc2)c3cc(nc(n3)N)N 0dfe8bdd0163c4f84c64bc311a141d83 [0,1,0,0,1,0|1,0,1]=4 308 B23R3.127849715 CC1(COC1)COc2ccc(cc2)c3nc(=O)[nH]c(=O)[nH]3 1c5a261fe76d0e07150946cfa9e15ec4 [0,1,0,0,1,0|2,0,0]=4 309 B23R3.127849715 Cc1cc(nc(c1)c2ccc(cc2)OCC3(COC3)C)N de8d2c4cee0509a1186eed472b3a793c [0,1,0,0,1,0|2,0,0]=4 310 B23R3.127849715 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3(COC3)C b2141ce1cf5ea9d9d666d246ace95e34 [0,1,0,0,1,0|1,0,1]=4 311 B23R3.127849715 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3(COC3)F 96a7236226fa623c5af3c9594f64f712 [0,1,0,0,1,0|1,0,1]=4 312 B23R3.132747 C[C@@H](Nc1ccc(cc1)C2=CC(=O)NC2=O)C3CCOC3 172e26e90bdc1e5047840dbaf519f86b [0,1,0,0,1,0|2,0,0]=4 313 B23R3.708386 O=C1C=C(C(=O)N1)c2ccc(cc2)NC[C@@H]3COC[C@@H]3O f3852f8be2073dbc8224bbd1610b07b4 [0,1,0,0,1,0|2,0,0]=4 314 B25R3.152 CCc1cc(nc(n1)N)c2ccc(cc2)OCC3CCOCC3 574bcd09319ce12e2f9266cc4b6d6189 [0,1,0,0,0,1|1,0,1]=4 315 B25R3.152 CNc1cc(nc(n1)N)c2ccc(cc2)OCC3CCOCC3 a5c713eaf083ad63953cdf21d63d6dff [0,1,0,0,0,1|1,0,1]=4 316 B25R3.152 CNc1nc(cc(n1)c2ccc(cc2)OCC3CCOCC3)C de7f3df759e163879a1eb212da54a30d [0,1,0,0,0,1|1,0,1]=4 317 B25R3.152 COc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)N 6d34dfc67dd100e925675b25b8d65f65 [0,1,0,0,0,1|1,0,1]=4 318 B25R3.152 COc1cc(nc(n1)N)c2ccc(cc2)OCC3CCOCC3 272ca668d88e05eecec667ac40d38a06 [0,1,0,0,0,1|0,0,2]=4 319 B25R3.152 Cc1cc(cc(n1)c2ccc(cc2)OCC3CCOCC3)C=O 03db3619d360168867bcb93cbe55ba61 [0,1,0,0,0,1|2,0,0]=4 320 B25R3.152 Cc1cc(nc(n1)CN)c2ccc(cc2)OCC3CCOCC3 45852bdc7688f7aaec8ba69fe4e9ac91 [0,1,0,0,0,1|1,0,1]=4 321 B25R3.152 Cc1nc(cc(n1)c2ccc(cc2)OCC3CCOCC3)C=O cd6350f362bf1b7eda7323a68c172cb5 [0,1,0,0,0,1|1,0,1]=4 322 B25R3.152 N#Cc1cc(nc(c1)c2ccc(cc2)OCC3CCOCC3)N 9595a9d8c54dc12d9fa062f95231a713 [0,1,0,0,0,1|2,0,0]=4 323 B25R3.152 Nc1cc(cc(n1)c2ccc(cc2)OCC3CCOCC3)CO 7d804c9951bc7ffd086414fe371f378d [0,1,0,0,0,1|1,0,1]=4 324 B25R3.22726 CC(Oc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2)C3CCOCC3 667773e96e1bd9abe71e64011a1030d5 [0,1,0,0,0,1|1,0,1]=4 325 B25R3.2053418 Cc1cc(nc(c1C)c2ccc(cc2)OCC3CCOCC3)N 40eb5fc50b27734a6423d99ab8465b1d [0,1,0,0,0,1|2,0,0]=4 326 B25R3.2053418 Cn1c(cc(=O)[nH]c1=O)c2ccc(cc2)OCC3CCOCC3 304a073594bef6aac3d4d809df6d1dd7 [0,1,0,0,0,1|1,0,1]=4 327 B25R3.2053418 Nc1nc(c(c(n1)c2ccc(cc2)OCC3CCOCC3)N)N b6d57a8c7ee44944bce870747c081b68 [0,1,0,0,0,1|1,0,1]=4 328 B25R3.26959189 Cc1cc(cc(=O)n1C)c2ccc(cc2)OCC3CCOCC3 20535891f3430aba49643c7f05b23218 [0,1,0,0,0,1|2,0,0]=4 329 B25R3.26959189 Cc1cc(nc(c1C)N)c2ccc(cc2)OCC3CCOCC3 8524c1ff0b2fdc417120b318792dbf2a [0,1,0,0,0,1|2,0,0]=4 330 B25R3.26959189 Cc1cc(nc(c1O)N)c2ccc(cc2)OCC3CCOCC3 799efa7996f35c7c1eeada0ae1ff8b9c [0,1,0,0,0,1|2,0,0]=4 331 B25R3.26959189 Cn1c(=O)cc([nH]c1=O)c2ccc(cc2)OCC3CCOCC3 286545727425269c338bb23dd1944273 [0,1,0,0,0,1|1,0,1]=4 332 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)CCN3CCOCC3)N b9f54fa91f139073f630fb08dd2253c9 [0,1,0,0,0,1|2,0,0]=4 333 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)COC3CCOCC3)N 19d6199df209d142b32295a29aab4003 [0,1,0,0,0,1|2,0,0]=4 334 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)OCC3CC=CCC3)N 8ad60c2fe614ecc194b32067879760b0 [0,1,0,0,0,1|1,0,0]=3 335 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)OCC3CCCCC3)N c9781f8342b905ab02f400cc0b2f86db [0,1,0,0,0,1|1,0,0]=3 336 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)OCC3CCCCO3)N c54faa422cd44e83f6477654778bf8d8 [0,1,0,0,0,1|1,0,0]=3 337 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(cc2)OCC3CCOCC3)N dbb0902b6e920251c4b33b5fb5df56aa [0,1,0,0,0,1|0,0,0]=2 338 B25R3.26959189 Cn1c(nc(cc1=O)c2ccc(nc2)OCC3CCCCC3)N 64daa3ca21c9c023a9cc9e10d1db9e60 [0,1,0,0,0,1|2,0,0]=4 339 B25R3.26959189 N=c1nc(cc(n1O)N)c2ccc(cc2)OCC3CCOCC3 311b589ef929dc8791c238b8352dad1f [0,1,0,0,0,1|1,0,1]=4 340 B25R3.26959189 Nc1cc(nc([n+]1[O-])N)c2ccc(cc2)OCC3CCOCC3 862b58aac2bd807b30bb08168fae8039 [0,1,0,0,0,1|1,0,1]=4 341 B25R3.203228497 CC1(CCOCC1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 0c3767fe3c0b953ad7d88759483c4986 [0,1,0,0,0,1|1,0,1]=4 342 B25R3.203228497 CC1(COCCO1)COc2ccc(cc2)c3cc(=O)[nH]c(=S)[nH]3 1054b2dd3f8b23ec8a1eda26250ec979 [0,1,0,0,0,1|1,0,1]=4 343 B25R3.203228497 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3(CCOCC3)F 910d2d01621ba7082027a11a5d785d97 [0,1,0,0,0,1|1,0,1]=4 344 B25R3.203228497 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3(CCOCC3)O 51011e63382f01e74ac8143183e85466 [0,1,0,0,0,1|1,0,1]=4 345 B25R3.26959191 Cn1c(nc(cc1=O)c2ccc(cc2)OCCN3CCCC3)N ecf07a0176b576a2abfe45ad66462f7f [0,1,0,0,0,1|2,0,0]=4 346 B25R3.12383432 N#Cc1c(nc([nH]c1=O)N)c2ccc(cc2)OCC3CCCO3 e4b7e609281576501512df460bfaaf0d [0,2,0,0,0,0|2,0,0]=4 347 B25R3.12383432 N#Cc1c(nc([nH]c1=O)N)c2ccc(nc2)OCC3CCCC3 96d4de66f4e2735f83c6af3c7180b520 [0,2,0,0,0,0|2,0,0]=4 348 B23R3.15746125 O=C1NC(=O)/C(=C/c2ccc(cc2)OCC3CCOC3)/S1 fa97da0519d4857586e3599e81d23d85 [0,0,1,1,0,0|2,0,0]=4 349 B23R3.15746125 O=C1NC(=O)/C(=C\c2ccc(cc2)OCC3CCOC3)/S1 e9f4124919406adac73b0b32763959d3 [0,0,1,1,0,0|2,0,0]=4 350 B23R3.15746125 O=C1NC(=O)C(=Cc2ccc(cc2)OCC3CCOC3)S1 e2a0652a34de0dc001fd1f2dc0e027e4 [0,0,1,1,0,0|2,0,0]=4 351 B23R3.15746125 O=C\1NC(=S)S/C1=C\c2ccc(cc2)OCC3CCOC3 4586b719b6bca71663c9533717565445 [0,0,1,1,0,0|2,0,0]=4 352 B23R3.14731 Cc1cc(nc(c1)c2ccc(cc2)OC3CCOCC3)N 16581986186b563afb96958293f1c70c [0,0,1,1,0,0|2,0,0]=4 353 B23R3.14731 Cc1cc(nc(n1)N)c2ccc(cc2)OC3CCOCC3 7955b361955623ac95f6c3c1b4944932 [0,0,1,1,0,0|1,0,1]=4 354 B23R3.14731 Nc1cc(cc(n1)c2ccc(cc2)OC3CCOCC3)F 594d25072082919bd8cbb5233acfd648 [0,0,1,1,0,0|2,0,0]=4 355 B23R3.14731 Nc1cc(nc(n1)N)c2ccc(cc2)OC3CCOCC3 126df91395e751dc462bf647a596dc49 [0,0,1,1,0,0|1,0,1]=4 356 B23R3.14731 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OC3CCOCC3 4f2fcade3d38a2c4b651eb1b38fd6f6e [0,0,1,1,0,0|1,0,1]=4 357 B23R3.14731 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3CCCOC3 09c3cc56e050d1355b6f38a7703f803f [0,0,1,1,0,0|1,0,1]=4 358 B23R3.14731 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3CCOCC3 897f7a43bd6adc7567771945167d3126 [0,0,1,1,0,0|1,0,1]=4 359 B23R3.109554 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3CCO3 86ca85140977dcf7ff87b7a880729cfa [0,0,1,1,0,0|1,0,1]=4 360 B23R3.109554 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3COC3 2ec33ec902aaeed3040b9eb1394e8db5 [0,0,1,1,0,0|1,0,1]=4 361 B25R4.2277863122 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC34COC(C3)C4 f6bd09e288c66682718d6d2f4f6b0521 [0,1,0,1,0,0|1,0,1]=4 362 B21R2.21327 CCOCCCNc1ccc(cc1)C2=CC(=O)NC2=O a38ae150f137ea26ac1989dd6d0353e7 [0,0,1,0,1,0|2,0,0]=4 363 B21R2.21327 COCCCCNc1ccc(cc1)C2=CC(=O)NC2=O 0a1db1c2e212d1a992e8407fed433860 [0,0,1,0,1,0|2,0,0]=4 364 B21R2.282386 CC(CCO)CNc1ccc(cc1)C2=CC(=O)NC2=O 4cf63918fe633a89998ba2266c3a5d6e [0,0,1,0,1,0|2,0,0]=4 365 B21R2.2104535 COCC(C)Oc1ccc(cc1)c2cc(=O)[nH]c(=S)[nH]2 980e2cfb2dee6d5422d1929bee9a2994 [0,0,1,0,1,0|1,0,1]=4 366 B21R2.288982 CCC(CO)CNc1ccc(cc1)C2=CC(=O)NC2=O 9c82534cde29733a03409a9df0a3ee9c [0,0,1,0,1,0|2,0,0]=4 367 B21R3.7372 Cc1csc(n1)c2ccc(cc2)OCC3CCOC3 efed08b813e205bc7d9c8b6d2c102518 [1,0,0,0,1,0|2,0,0]=4 368 B21R3.7372 Cc1nc(cs1)c2ccc(cc2)OCC3CCOC3 95d38980bdbb53325c321cdb63b7c4ae [1,0,0,0,1,0|2,0,0]=4 369 B21R3.7372 Nc1nc(c[nH]1)c2ccc(cc2)NCC3CCCC3 fb4c685c3f85e285761993dd40fee1f6 [1,0,0,0,1,0|2,0,0]=4 370 B21R3.7372 Nc1nc(c[nH]1)c2ccc(cc2)NCC3CCOC3 0ad1c05e81f14c6f5ea4f0180f33ea7d [1,0,0,0,1,0|1,0,0]=3 371 B21R3.7372 Nc1nc(c[nH]1)c2ccc(cc2)NC[C@@H]3CCOC3 ec0f01935c1937f141b1f16b52185006 [1,0,0,0,1,0|1,0,0]=3 372 B21R3.7372 Nc1nc(c[nH]1)c2ccc(cc2)NC[C@H]3CCOC3 6ac4d6d7a60f180cf7abad3225d2df82 [1,0,0,0,1,0|1,0,0]=3 373 B21R3.7372 Nc1nc(c[nH]1)c2ccc(cc2)OCC3CCCO3 b6388edb92941f1e5a4a39a6ae4501e0 [1,0,0,0,1,0|2,0,0]=4 374 B21R3.7372 Nc1nc(c[nH]1)c2ccc(nc2)OCC3CCCC3 74bdf707d92daafcf3cde04786ea0fb5 [1,0,0,0,1,0|2,0,0]=4 375 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)NCC3CCOC3 5957e23f196535ea1d534b90a482cb70 [1,0,0,0,1,0|2,0,0]=4 376 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)NC[C@@H]3CCOC3 1952f3c33d5ff1a9725ab144bf24cc3a [1,0,0,0,1,0|2,0,0]=4 377 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)NC[C@H]3CCOC3 fe4cccbec357dbb01263a7318d4a00d1 [1,0,0,0,1,0|2,0,0]=4 378 B21R3.7372 O=c1[nH]nc(o1)c2ccc(cc2)OCC3CCCC3 e70c64c2616794d74cfbe86cb6fbe255 [1,0,0,0,1,0|2,0,0]=4 379 B21R3.7372 O=c1[nH]nc(o1)c2ccc(cc2)OCC3CCOC3 a2bfcd8c784449a73daf6f44c8db5389 [1,0,0,0,1,0|1,0,0]=3 380 B21R3.7372 O=c1cc([nH][nH]1)c2ccc(cc2)NCC3CCOC3 070cc3b831b781865ae4f6a487e3c024 [1,0,0,0,1,0|1,0,1]=4 381 B21R3.7868 Brc1cccc(n1)c2ccc(cc2)OC3CCOC3 7395aa88016172f5d2ee8169814766bf [1,0,0,0,1,0|2,0,0]=4 382 B21R3.7868 Cc1cc(ncn1)c2ccc(cc2)OC3CCOC3 4eb7013b1b85494e4b94d533a303a77e [1,0,0,0,1,0|1,0,1]=4 383 B21R3.7868 Cc1cccc(n1)c2ccc(cc2)OC3CCOC3 86c040ad1dcdb3414ab8e2440ed7bc95 [1,0,0,0,1,0|2,0,0]=4 384 B21R3.7868 Cc1ccnc(c1)c2ccc(cc2)OC3CCOC3 577e0f963b2af8bbc882d1a45aaf5a92 [1,0,0,0,1,0|2,0,0]=4 385 B21R3.7868 Cc1nccc(n1)c2ccc(cc2)OC3CCOC3 c14c0ac4e6ed1ab5eb5db142ff190af3 [1,0,0,0,1,0|1,0,1]=4 386 B21R3.7868 Clc1cccc(n1)c2ccc(cc2)OC3CCOC3 71f7cb34fe8f34379112d73bf935007f [1,0,0,0,1,0|2,0,0]=4 387 B21R3.7868 Clc1ccnc(c1)c2ccc(cc2)OC3CCOC3 68c3305f6856030a02e8d4c14d0290b9 [1,0,0,0,1,0|2,0,0]=4 388 B21R3.7868 Fc1cc(ncn1)c2ccc(cc2)OC3CCOC3 4e395e9d9bce62648048ea46cf126754 [1,0,0,0,1,0|1,0,1]=4 389 B21R3.7868 Fc1cccc(n1)c2ccc(cc2)OC3CCOC3 38ec9b40f87c0499f4c39dc1e31c6ee8 [1,0,0,0,1,0|2,0,0]=4 390 B21R3.7868 Fc1ccnc(c1)c2ccc(cc2)OC3CCOC3 1e5119499f133dfe86d39b89587f7116 [1,0,0,0,1,0|2,0,0]=4 391 B21R3.7868 Fc1nccc(n1)c2ccc(cc2)OC3CCOC3 2f7d4c38f9ca62c845a1e808702c6b55 [1,0,0,0,1,0|1,0,1]=4 392 B21R3.7868 Nc1cc(ccn1)c2ccc(cc2)OC3CCOC3 9c8f1c6cd927d8552e29bc38b5b9ec4f [1,0,0,0,1,0|1,0,1]=4 393 B21R3.7868 Nc1cc(ncn1)c2ccc(cc2)OC3CCOC3 4736b047f76565ba44efbd47ab29fb9d [1,0,0,0,1,0|1,0,1]=4 394 B21R3.7868 Nc1cccc(c1)c2ccc(cc2)OC3CCOC3 0a8da7a3574d40777be77bf39463af96 [1,0,0,0,1,0|2,0,0]=4 395 B21R3.7868 Nc1cccc(n1)c2ccc(cc2)OC3CCCC3 ae55b8699a3ed718396751d63220a039 [1,0,0,0,1,0|2,0,0]=4 396 B21R3.7868 Nc1cccc(n1)c2ccc(cc2)OC3CCOC3 8ab89ccd68d1599783c097e06a892150 [1,0,0,0,1,0|1,0,0]=3 397 B21R3.7868 Nc1cccc(n1)c2ccc(nc2)OC3CCOC3 ed2f73b002c24164692fe4b904370792 [1,0,0,0,1,0|2,0,0]=4 398 B21R3.7868 Nc1ccnc(c1)c2ccc(cc2)OC3CCOC3 270daa045fb13992bc71d88be3e36cb0 [1,0,0,0,1,0|2,0,0]=4 399 B21R3.7868 Nc1ccnc(n1)c2ccc(cc2)OC3CCOC3 d07b6770ca101edfb365f509b69c6883 [1,0,0,0,1,0|2,0,0]=4 400 B21R3.7868 Nc1cncc(n1)c2ccc(cc2)OC3CCOC3 9c1f01d123703e891889ebe02b932d6e [1,0,0,0,1,0|2,0,0]=4 401 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)OC3CCCC3 9bc62285c067a8b6d955332b30182c28 [1,0,0,0,1,0|1,0,1]=4 402 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)OC3CCOC3 92428ea6697d0b82bbb7ce5360817b89 [1,0,0,0,1,0|0,0,1]=3 403 B21R3.7868 Nc1nccc(n1)c2ccc(nc2)OC3CCOC3 a4274bf79f046d7f6be72decfe38ac42 [1,0,0,0,1,0|1,0,1]=4 404 B21R3.7868 Nc1ncnc(n1)c2ccc(cc2)OC3CCOC3 9f0536758f61fd5aaa68d3868a23d122 [1,0,0,0,1,0|1,0,1]=4 405 B21R3.7868 O=c1cc(cn[nH]1)c2ccc(cc2)OC3CCOC3 e6492f2cffe5792de9a85190552636ba [1,0,0,0,1,0|2,0,0]=4 406 B21R3.7868 O=c1cc(nc[nH]1)c2ccc(cc2)NC3CCCC3 00654bba07a305a1fc350451b9e04dd6 [1,0,0,0,1,0|2,0,0]=4 407 B21R3.7868 O=c1cc(nc[nH]1)c2ccc(cc2)NC3CCOC3 a437204dc900a2b8f6ec29a1e42fd745 [1,0,0,0,1,0|1,0,0]=3 408 B21R3.7868 O=c1cc(nc[nH]1)c2ccc(cc2)NC3CCSC3 3f4524acbad2e4867858a70e2b930304 [1,0,0,0,1,0|1,1,0]=4 409 B21R3.7868 O=c1cc(nc[nH]1)c2ccc(cc2)N[C@@H]3CCOC3 d1ed2273c80f45c51969a2961ca384b5 [1,0,0,0,1,0|1,0,0]=3 410 B21R3.7868 O=c1cc(nc[nH]1)c2ccc(cc2)N[C@H]3CCOC3 cc9646ad59487eb176e8a48a8277cd68 [1,0,0,0,1,0|1,0,0]=3 411 B21R3.7868 O=c1nc(cc[nH]1)c2ccc(cc2)OC3CCCC3 ff27bfe21b3003c60df79d1628c99389 [1,0,0,0,1,0|2,0,0]=4 412 B21R3.7868 O=c1nc(cc[nH]1)c2ccc(cc2)OC3CCOC3 ac2abf806bc35fbf39076306bf6bdf0c [1,0,0,0,1,0|1,0,0]=3 413 B21R3.7868 O=c1nc(cc[nH]1)c2ccc(nc2)OC3CCOC3 7168ce469dbd20d2504a3575aea64e69 [1,0,0,0,1,0|2,0,0]=4 414 B21R3.7868 Oc1cc(ncn1)c2ccc(cc2)OC3CCOC3 171071ba723a523d105b09b63653f261 [1,0,0,0,1,0|0,0,2]=4 415 B21R3.7868 Oc1cccc(n1)c2ccc(cc2)OC3CCOC3 76fd0f9a63ff1ec6733db10cbe19c6a7 [1,0,0,0,1,0|2,0,0]=4 416 B21R3.7868 Oc1ccnc(c1)c2ccc(cc2)OC3CCOC3 7cd54649dd47bf55802919846569a8e2 [1,0,0,0,1,0|1,0,1]=4 417 B21R3.11735 Clc1scnc1c2ccc(cc2)OCC3CCOC3 90d9c85e9fe3236b3f94eac14b0b0747 [1,0,0,0,1,0|2,0,0]=4 418 B21R3.11735 O=c1[nH]cnn1c2ccc(cc2)NCC3CCOC3 f5462482a3739cb98f302d8827078bcb [1,0,0,0,1,0|2,0,0]=4 419 B21R3.11735 O=c1[nH]cnn1c2ccc(cc2)NC[C@@H]3CCOC3 728a8ebd7060f665328968b876286544 [1,0,0,0,1,0|2,0,0]=4 420 B21R3.11735 O=c1[nH]cnn1c2ccc(cc2)NC[C@H]3CCOC3 9e37e186202b06764c569a2cf8421373 [1,0,0,0,1,0|2,0,0]=4 421 B21R3.150448 Nc1cccc(n1)c2ccc(nc2)OCC3CCC3 5ee9fd9bdb73ab371dd084bd6f6f7010 [1,0,0,0,1,0|2,0,0]=4 422 B21R3.150448 Nc1nccc(n1)c2ccc(nc2)OCC3CCC3 743781dcba0e00ca6dbf7fb9ec8db4f4 [1,0,0,0,1,0|1,0,1]=4 423 B21R3.150448 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCC3 f125556ff2decc1f8402fe0a4f865f80 [1,0,0,0,1,0|1,0,0]=3 424 B21R3.150448 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCO3 03e07dd98eb54fa28e109f3590106004 [1,0,0,0,1,0|1,0,0]=3 425 B21R3.150448 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3COC3 c40e29e0031ba54fd6f677d52261ced6 [1,0,0,0,1,0|1,0,0]=3 426 B21R3.150448 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@@H]3CCO3 20ccb4d0924b6dccfd9b0d0facf6b3b5 [1,0,0,0,1,0|1,0,0]=3 427 B21R3.150448 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@H]3CCO3 e50dcc8d8d87c4ac168e0668a834ffe8 [1,0,0,0,1,0|1,0,0]=3 428 B21R3.150448 O=c1nc(cc[nH]1)c2ccc(nc2)OCC3CCC3 1037e9bf04a9f463cf025d679cef28b5 [1,0,0,0,1,0|2,0,0]=4 429 B21R3.7731 Cn1cc(nc1N)c2ccc(cc2)OC3CCOC3 48038b97131f98966fb3cac706730a0a [0,0,0,0,2,0|2,0,0]=4 430 B21R3.140352 Cc1cc(nc(c1)c2ccc(cc2)OC3CCC3)N 66445f91915d35b91a39e30fe5428640 [0,0,0,0,2,0|2,0,0]=4 431 B21R3.140352 Cc1cc(nc(n1)N)c2ccc(cc2)OC3CCC3 385e75d03416f0db378fca4365d559d8 [0,0,0,0,2,0|1,0,1]=4 432 B21R3.140352 Nc1cc(cc(n1)c2ccc(cc2)OC3CCC3)F cabcf917466be4cdf78b1ef6eae0231a [0,0,0,0,2,0|2,0,0]=4 433 B21R3.140352 Nc1cc(nc(n1)N)c2ccc(cc2)OC3CCC3 1a1d484d02ad256786f03567c3e23dad [0,0,0,0,2,0|1,0,1]=4 434 B21R3.140352 Nc1nc(cc(n1)c2ccc(cc2)OC3CCC3)O 3e21ba9b4a4f9529ca2acde7ffe39bfd [0,0,0,0,2,0|0,0,2]=4 435 B21R3.140352 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OC3CCC3 5092fa4c2406f23b7b1c5c03c73ea00f [0,0,0,0,2,0|1,0,1]=4 436 B21R3.140352 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3CCC3 5bfa16d2c83149068ca01f3fe9ca71c5 [0,0,0,0,2,0|1,0,1]=4 437 B21R3.140352 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OC3COC3 745f74c5ae02d9b5d3ee7c5dc6769575 [0,0,0,0,2,0|1,0,1]=4 438 B21R3.149705 Cc1nc(c([nH]1)C)c2ccc(cc2)OC3CCOC3 dfe80a7d7c9c3edf2dbc567c14de8d8e [0,0,0,0,2,0|2,0,0]=4 439 B21R3.149705 Cc1sc(nc1c2ccc(cc2)OC3CCOC3)N ddf3ba9b0329a7e765ca298331ffdfc8 [0,0,0,0,2,0|2,0,0]=4 440 B21R3.149705 O=C1C=C(C(=O)N1)c2ccc(cc2)NC3CCOC3 6b6c1189d19865caefd854c82a30ef36 [0,0,0,0,2,0|2,0,0]=4 441 B21R3.149705 O=C1C=C(C(=O)N1)c2ccc(cc2)N[C@@H]3CCOC3 43eb088a166a397a6413a4e667004bc6 [0,0,0,0,2,0|2,0,0]=4 442 B21R3.149705 O=C1C=C(C(=O)N1)c2ccc(cc2)N[C@H]3CCOC3 42e7b17239608c13cc77ee3e5bb6a2ce [0,0,0,0,2,0|2,0,0]=4 443 B21R3.140353 Cc1cc(nc(c1)c2ccc(cc2)OCC3CC3)N 2e544a389c5ea472060074207c09cebe [0,0,0,0,2,0|2,0,0]=4 444 B21R3.140353 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CC3 eaa9ec1e2dfbc33510cf3d8cb58c7b3c [0,0,0,0,2,0|1,0,1]=4 445 B21R3.140353 Nc1cc(cc(n1)c2ccc(cc2)OCC3CC3)F 827f404d08fa814d6c478110a1812856 [0,0,0,0,2,0|2,0,0]=4 446 B21R3.140353 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CC3 53743913701289bf24dd6b759b902d71 [0,0,0,0,2,0|1,0,1]=4 447 B21R3.140353 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CC3 94f62fe0fe04b207bb456005b9612b2b [0,0,0,0,2,0|1,0,1]=4 448 B21R3.140353 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3CC3 c33e160749f5840d0a36e8ff660e280f [0,0,0,0,2,0|1,0,1]=4 449 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)NCC3CCO3 3788ed24ea88c0d394c17f0b277771a2 [0,0,0,0,2,0|2,0,0]=4 450 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)NC[C@@H]3CCO3 bde24abd13fc231d5d4cc5909a9dbe2b [0,0,0,0,2,0|2,0,0]=4 451 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)NC[C@H]3CCO3 5120116f63c47fc779c4c603c2b8ba00 [0,0,0,0,2,0|2,0,0]=4 452 B23R2.60557 O=C(O)CNC(=O)/C=C/c1ccc(cc1)OCC2CCOC2 0b417b5e77db9e6cb28cca2b7dd2fc82 [0,0,1,0,0,1|2,0,0]=4 453 B23R3.16214 Brc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 215c415786424fbd219ddc3975c69c18 [1,0,0,0,0,1|2,0,0]=4 454 B23R3.16214 Brc1cccc(n1)c2ccc(cc2)OCC3COCCO3 2cd097bb7e108dc1d2dcf5eb2e74bbd4 [1,0,0,0,0,1|2,0,0]=4 455 B23R3.16214 Cc1cc(ncn1)c2ccc(cc2)OCC3CCOCC3 1782cb8ae3d96310792e56bc6e62a15c [1,0,0,0,0,1|1,0,1]=4 456 B23R3.16214 Cc1cc(ncn1)c2ccc(cc2)OCC3COCCO3 7b6f7009079f5e872bbc901f0ba8b15e [1,0,0,0,0,1|1,0,1]=4 457 B23R3.16214 Cc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 5b3685c31ec87114fccf7118780b402d [1,0,0,0,0,1|2,0,0]=4 458 B23R3.16214 Cc1cccc(n1)c2ccc(cc2)OCC3COCCO3 b94536d688d2b004ff7d5a0b8120fc35 [1,0,0,0,0,1|2,0,0]=4 459 B23R3.16214 Cc1ccnc(c1)c2ccc(cc2)OCC3CCOCC3 03027472c42180bb530313b99e3cabd4 [1,0,0,0,0,1|2,0,0]=4 460 B23R3.16214 Cc1ccnc(c1)c2ccc(cc2)OCC3COCCO3 743fd8671489fe82c30bbbf7a605ec58 [1,0,0,0,0,1|2,0,0]=4 461 B23R3.16214 Cc1nccc(n1)c2ccc(cc2)OCC3CCOCC3 fb0287f9ec6e47ccf4953c778bc1ab2a [1,0,0,0,0,1|1,0,1]=4 462 B23R3.16214 Cc1nccc(n1)c2ccc(cc2)OCC3COCCO3 8642006ddfd3220d224126384c9dbad7 [1,0,0,0,0,1|1,0,1]=4 463 B23R3.16214 Clc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 662748f1df641ca78e7411e255cf0a8b [1,0,0,0,0,1|2,0,0]=4 464 B23R3.16214 Clc1cccc(n1)c2ccc(cc2)OCC3COCCO3 bb5cf7a7d8cf123c514f41cd3a8c6b58 [1,0,0,0,0,1|2,0,0]=4 465 B23R3.16214 Clc1ccnc(c1)c2ccc(cc2)OCC3COCCO3 c8d222dca20c525993eab83c452eb1e5 [1,0,0,0,0,1|2,0,0]=4 466 B23R3.16214 Fc1cc(ncn1)c2ccc(cc2)OCC3CCOCC3 d9bf2604de5e3fca85bb84c853885387 [1,0,0,0,0,1|1,0,1]=4 467 B23R3.16214 Fc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 3153ce9e96ea088657b3785583696377 [1,0,0,0,0,1|2,0,0]=4 468 B23R3.16214 Fc1cccc(n1)c2ccc(cc2)OCC3COCCO3 1c4cb4743502640b28e2287a54007f5a [1,0,0,0,0,1|2,0,0]=4 469 B23R3.16214 Fc1ccnc(c1)c2ccc(cc2)OCC3CCOCC3 ff2777e0ededfe12a2fa556a0b8b1416 [1,0,0,0,0,1|2,0,0]=4 470 B23R3.16214 Fc1ccnc(c1)c2ccc(cc2)OCC3COCCO3 bcbdb1df1eb68e7cd5968336495dcb04 [1,0,0,0,0,1|2,0,0]=4 471 B23R3.16214 Fc1nccc(n1)c2ccc(cc2)OCC3CCOCC3 421a24d2bb0583bb13160c36ca5e54ab [1,0,0,0,0,1|1,0,1]=4 472 B23R3.16214 Nc1cc(ccn1)c2ccc(cc2)OCC3CCOCC3 a90cd1836659ae935ab363950395e9ba [1,0,0,0,0,1|1,0,1]=4 473 B23R3.16214 Nc1cc(ncn1)c2ccc(cc2)OCC3CCOCC3 a243ace08ce2378871cd79ea0cf4ca5b [1,0,0,0,0,1|1,0,1]=4 474 B23R3.16214 Nc1cccc(c1)c2ccc(cc2)OCC3CCOCC3 b2ae1927764c287fe1e7042a71077e19 [1,0,0,0,0,1|2,0,0]=4 475 B23R3.16214 Nc1cccc(n1)c2ccc(cc2)OCC3CC=CCC3 516d21629bf28e3aa9deba3ea5a90bfd [1,0,0,0,0,1|2,0,0]=4 476 B23R3.16214 Nc1cccc(n1)c2ccc(cc2)OCC3CCCCC3 5898dbe694e4a29cb46669b0f3fe0688 [1,0,0,0,0,1|2,0,0]=4 477 B23R3.16214 Nc1cccc(n1)c2ccc(cc2)OCC3CCCCO3 5bd7f843ac73d2e6abe573fa68a298ae [1,0,0,0,0,1|2,0,0]=4 478 B23R3.16214 Nc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 158f3631f8a3c5ae03e4a002916e67f4 [1,0,0,0,0,1|1,0,0]=3 479 B23R3.16214 Nc1ccnc(c1)c2ccc(cc2)OCC3CCOCC3 d3fcf76d81ad029234fd3025df26d2cf [1,0,0,0,0,1|2,0,0]=4 480 B23R3.16214 Nc1ccnc(n1)c2ccc(cc2)OCC3CCOCC3 02504fded4e11c3549114e6c7b4b83af [1,0,0,0,0,1|2,0,0]=4 481 B23R3.16214 Nc1cncc(n1)c2ccc(cc2)OCC3CCOCC3 37f94fa880a8af08b98bbe22bacb8311 [1,0,0,0,0,1|2,0,0]=4 482 B23R3.16214 Nc1nccc(n1)c2ccc(cc2)OCC3CC=CCC3 63bdc7b74a88910108d88301c5e0fa8d [1,0,0,0,0,1|1,0,1]=4 483 B23R3.16214 Nc1nccc(n1)c2ccc(cc2)OCC3CCCCC3 966cbf1fd248281ed4dd75ac51458743 [1,0,0,0,0,1|1,0,1]=4 484 B23R3.16214 Nc1nccc(n1)c2ccc(cc2)OCC3CCCCO3 9d811308f3ade350d434519bd1532f67 [1,0,0,0,0,1|1,0,1]=4 485 B23R3.16214 Nc1nccc(n1)c2ccc(cc2)OCC3CCOCC3 49d9c6e5727222dd1074d969505d5ee8 [1,0,0,0,0,1|0,0,1]=3 486 B23R3.16214 O=c1cc(cn[nH]1)c2ccc(cc2)OCC3CCOCC3 482f406c41f85232911488f88445ef3e [1,0,0,0,0,1|2,0,0]=4 487 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CC=CCC3 ded86fbd83ea6d7b6fc4b7b47e490977 [1,0,0,0,0,1|2,0,0]=4 488 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCCC3 81b1fe266c3e256681297959a72f6cfc [1,0,0,0,0,1|2,0,0]=4 489 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCCO3 5a20f7970a71263f63f2c60b64e06ec4 [1,0,0,0,0,1|2,0,0]=4 490 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCCOC3 0fd09c1554f6cc75db50063262b5806f [1,0,0,0,0,1|1,0,0]=3 491 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCOCC3 c1b47e31a46a595b03ca6c8859e0dbea [1,0,0,0,0,1|1,0,0]=3 492 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3CCSCC3 edc494f4f40eb5aca594575dc358ae34 [1,0,0,0,0,1|1,1,0]=4 493 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NCC3COCCO3 924914cc3f2c8d29b10713a40a0b1a06 [1,0,0,0,0,1|1,0,0]=3 494 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@@H]3CCCOC3 c825f9f2a1f14b18f8de70aa50131412 [1,0,0,0,0,1|1,0,0]=3 495 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@H]3CCCOC3 45d1c63b7581bb0148285033916cc0c9 [1,0,0,0,0,1|1,0,0]=3 496 B23R3.16214 O=c1cc(nc[nH]1)c2ccc(cc2)NC[C@H]3COCCO3 78acb7a967c8f8acf5ca151f52f0cf24 [1,0,0,0,0,1|1,0,0]=3 497 B23R3.16214 O=c1nc(cc[nH]1)c2ccc(cc2)OCC3CC=CCC3 b0b41967ce0918cf08d75305612cf787 [1,0,0,0,0,1|2,0,0]=4 498 B23R3.16214 O=c1nc(cc[nH]1)c2ccc(cc2)OCC3CCCCC3 6eda65ad9b43c8d2433f373057798ff0 [1,0,0,0,0,1|2,0,0]=4 499 B23R3.16214 O=c1nc(cc[nH]1)c2ccc(cc2)OCC3CCCCO3 a1b5fdb5f85d696ce3e2af8837e5e2a7 [1,0,0,0,0,1|2,0,0]=4 500 B23R3.16214 O=c1nc(cc[nH]1)c2ccc(cc2)OCC3CCOCC3 d8ee6c0ea027ac1ada4792ea5454e09b [1,0,0,0,0,1|1,0,0]=3 501 B23R3.16214 Oc1cc(ncn1)c2ccc(cc2)OCC3CCOCC3 8cdfc4b50adfb67f21fa3de310655f6f [1,0,0,0,0,1|0,0,2]=4 502 B23R3.16214 Oc1cccc(n1)c2ccc(cc2)OCC3CCOCC3 18b34b73906b8e9f9acfa2fb11a216e5 [1,0,0,0,0,1|2,0,0]=4 503 B23R3.16214 Oc1cccc(n1)c2ccc(cc2)OCC3COCCO3 25f59622c696c362c50335d354b397d0 [1,0,0,0,0,1|2,0,0]=4 504 B23R3.16214 Oc1ccnc(c1)c2ccc(cc2)OCC3CCOCC3 3d15f569c498503a348972291309defb [1,0,0,0,0,1|1,0,1]=4 505 B23R3.16219 O=c1cc(nc[nH]1)c2ccc(cc2)NCCC3CCCC3 2a083511628b9ccb0656f36ca3980319 [1,0,0,0,0,1|2,0,0]=4 506 B23R3.16219 O=c1cc(nc[nH]1)c2ccc(cc2)NCCC3CCOC3 6c0a9236357c53522c314b343e7bf873 [1,0,0,0,0,1|1,0,0]=3 507 B23R3.16226 O=c1cc(cc[nH]1)Oc2ccc(cc2)NCC3CCOC3 6083256749cbffea329f6f2294532e97 [1,0,0,0,0,1|2,0,0]=4 508 B23R3.15783 Cn1cc(nc1N)c2ccc(cc2)OCC3CCOCC3 47e06e4d1352e8bd080814c661d17717 [0,0,0,0,1,1|2,0,0]=4 509 B23R3.109673 Cc1nc(nc(=O)[nH]1)Nc2ccc(cc2)OC3CCOC3 1ffe73a514d1302e556c484636e0efd8 [0,0,0,0,1,1|2,0,0]=4 510 B23R3.109673 O=c1cc([nH]c(=O)[nH]1)Nc2ccc(cc2)OC3CCOC3 4277e6970520105323f5a3a299d9663c [0,0,0,0,1,1|1,0,1]=4 511 B23R3.109673 O=c1cc([nH]c(=S)[nH]1)Nc2ccc(cc2)OC3CCOC3 3d4643b7e7871b0c7d1d749ea617c846 [0,0,0,0,1,1|1,0,1]=4 512 B23R3.109673 O=c1cc(cc([nH]1)F)Nc2ccc(cc2)OC3CCOC3 c63cfd892e2b6ccbd7487c96764fb6f3 [0,0,0,0,1,1|2,0,0]=4 513 B23R3.16131 Cc1nc(c([nH]1)C)c2ccc(cc2)OCC3CCOCC3 5e5fa3681e4571851a77547e06149741 [0,0,0,0,1,1|2,0,0]=4 514 B23R3.16131 Cc1sc(nc1c2ccc(cc2)OCC3CCOCC3)N 869c2e6f7d8f46c54e044be8307f0c43 [0,0,0,0,1,1|2,0,0]=4 515 B23R3.16131 O=C1C=C(C(=O)N1)c2ccc(cc2)NCC3CCOCC3 3965db9d1201ff9320bce9a79c42142a [0,0,0,0,1,1|2,0,0]=4 516 B23R3.16131 O=C1C=C(C(=O)N1)c2ccc(cc2)NCC3COCCO3 2b6fd692577103b23a68d4735d7caa0b [0,0,0,0,1,1|2,0,0]=4 517 B23R3.16131 O=C1C=C(C(=O)N1)c2ccc(cc2)NC[C@H]3COCCO3 c1030e03040fbdcb7d4add37f2ea4d5b [0,0,0,0,1,1|2,0,0]=4 518 B23R3.17752 O=c1[nH]c(nnc1c2ccc(cc2)OCC3CCOC3)S bd32169e3af3c8cdb126d2c38dfabfb2 [0,0,0,0,1,1|1,0,0]=3 519 B23R3.132748 O=C1C=C(C(=O)N1)c2ccc(cc2)NCCC3CCOC3 2c2534e309043cfee9369a0c6b6b59ba [0,0,0,0,1,1|2,0,0]=4 520 B25R3.22728 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3CCCOC3 fd9c5b4b0fb043cf468b0b8145e98520 [0,0,0,0,0,2|1,0,1]=4 521 B25R3.22728 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3CCOCC3 0dcd33d81a8e054feb87369c8438fc1f [0,0,0,0,0,2|1,0,1]=4 522 B25R3.22728 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCC3COCCO3 85734e56ad30d23c3535d887a90b5901 [0,0,0,0,0,2|1,0,1]=4 523 B25R3.22741 O=c1cc([nH]c(=O)[nH]1)Nc2ccc(cc2)OCC3COCCO3 d11e139ce4c272dded90e48bf2688a72 [0,0,0,0,0,2|1,0,1]=4 524 B25R3.22741 O=c1cc([nH]c(=S)[nH]1)Nc2ccc(cc2)OCC3COCCO3 2bb6314b41a154d0c2851f1741b7aeaa [0,0,0,0,0,2|1,0,1]=4 525 B25R3.22741 O=c1cc(cc([nH]1)F)Nc2ccc(cc2)OCC3COCCO3 39bf2b8014e61da5cdf8e26f5945fe0b [0,0,0,0,0,2|2,0,0]=4 526 B25R3.26960927 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCC3COCCOC3 ac83c2d34b39b7f19ffbab57dee15765 [0,0,0,0,0,2|1,0,1]=4 527 B25R3.12967152 O=c1cc([nH]c(=S)[nH]1)c2ccc(cc2)OCCOC3CCOC3 3a148e521ca6bb419aa4b0ed941a9372 [0,0,0,0,0,2|1,0,1]=4