0 B10R1.66 C=C(Br)CNc1c[nH]cn1 4827e0d06343613cd92fbfe67068a219 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 C=C(Br)CNc1cocn1 d9ce8603191060a5fa13535efabd137b [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 C=C(Br)CNc1cscn1 10af3d5a183792e950af34fea73aa512 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 C=C(Br)CNc1nc[nH]n1 3b833a7e6b8967044a0579eb4792dda4 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 C=C(Br)COc1c[nH]cn1 e4c2d0d06af3c7172492f2f8a429bded [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 C=C(C)CNc1c[nH]cn1 8c938fd26c0bf911e0915545b61668f4 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 C=C(C)CNc1cocn1 523bad2f76461dc8652c04462f4bea86 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 C=C(C)CNc1cscn1 abf8a3fcef4b9e5ba22d56373b4b2611 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 C=C(C)CNc1nc[nH]n1 3455617f26e2e25f8505b2e4667ee659 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 C=C(C)COc1c[nH]cn1 e74389c29cb803b52dea97da02b860f9 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 C=C(Cl)CNc1cocn1 5e7b459f2feaaf516d8ae7c8488490cc [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 C=C(Cl)CNc1cscn1 187e546263c61196a0ebd5f61836a81f [0,0,0,0,0,0|4,0,0]=4 12 B10R1.66 C=C(Cl)CNc1nc[nH]n1 e29d2fe649c7e00fda537d01c8377e7d [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 C=C(Cl)COc1c[nH]cn1 880a848e3f0c6d484fee03dc7f66b6fc [0,0,0,0,0,0|3,0,0]=3 14 B10R1.66 C=C(F)CNc1cocn1 e8fc977ea2835e634657c94b46b510c9 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 C=C(F)CNc1cscn1 e2733227cacf0a88d92508e3239d0c12 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.66 C=C(F)CNc1nc[nH]n1 78ee0bc63a563b134023144455f097dd [0,0,0,0,0,0|4,0,0]=4 17 B10R1.66 C=C(F)COc1c[nH]cn1 39d1e1b17da364263229fff4d0bb6575 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.66 CC(=O)CNc1c[nH]cn1 be2bea778bbeba0f31cba71636f977f9 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.66 CC(=O)CNc1c[nH]nn1 98e6305e8dcfefd87e76c7c44894a726 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.66 CC(=O)CNc1cccs1 cd83157d86433e62c17b868e5fb1470c [0,0,0,0,0,0|4,0,0]=4 22 B10R1.66 CC(=O)CNc1ccoc1 f96f84316e97865366e82ff70b21a405 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.66 CC(=O)CNc1ccsc1 264cfd5bd6905699df6036299a4d94ea [0,0,0,0,0,0|4,0,0]=4 24 B10R1.66 CC(=O)CNc1cncs1 08e34da9bd442eefd33450d52d14bc76 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.66 CC(=O)CNc1cnsn1 772a2495fca3c8eabbdb48353588b2d6 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.66 CC(=O)CNc1cscn1 482c21989e7459cf1cfac3954fb324f0 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.66 CC(=O)CNc1nccs1 77a4f07613bba7bf49318b232ac5c431 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.66 CC(=O)CNc1ncns1 2fec184f3d1bbec40161d26f8efc4473 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [0,0,0,0,0,0|4,0,0]=4 30 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.66 CC(=O)NCc1ccoc1 ce9871ea53622fcc38533d8f5672809d [0,0,0,0,0,0|4,0,0]=4 32 B10R1.66 CC(=O)NCc1ccon1 5c65e5956a6b69a35911040d15d7c19a [0,0,0,0,0,0|4,0,0]=4 33 B10R1.66 CC(=O)NCc1ccsc1 32c7f46af3edcc14e3d5f823406c656c [0,0,0,0,0,0|4,0,0]=4 34 B10R1.66 CC(=O)NCc1ccsn1 612816c731f283ec818c1ce3ed185f54 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [0,0,0,0,0,0|3,0,1]=4 36 B10R1.66 CC(=O)NCc1cncs1 ec5ecc8d905108c74de005c1c70641d3 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.66 CC(=O)NCc1cocn1 8ce50f68f5fa07856aef854923c4aaad [0,0,0,0,0,0|3,0,0]=3 38 B10R1.66 CC(=O)NCc1cscn1 7bbb3e803cbe4292859eedd99dcc8b12 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.66 CC(=O)NCc1nccs1 d681868309a7cd5cf6bf7a2c5c44b5ed [0,0,0,0,0,0|4,0,0]=4 41 B10R1.66 CC(C)COc1c[nH]cn1 5a6a70e59cd27d2b7c499cd9ff765ea7 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.66 CC(O)CNc1cocn1 04eb8269d84a26043e6a4811a28eb1ff [0,0,0,0,0,0|3,0,1]=4 43 B10R1.66 CC(O)CNc1cscn1 2df5e61fe02e5bba147de85cb26f9ae1 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(O)CNc1nc[nH]n1 4845543594f3b0de0ded178de06b4688 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.66 CN(C)COc1c[nH]cn1 9ef8c23dc24aea0e999629fad2eb6acf [0,0,0,0,0,0|4,0,0]=4 46 B10R1.66 C[C@@H](O)CNc1cscn1 cedda5debe0db4e52eaeb30c07b40aec [0,0,0,0,0,0|3,0,1]=4 47 B10R1.66 C[C@H](O)CNc1cocn1 f579b5f66780e00794fa6c6f2ff96b69 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.66 C[C@H](O)CNc1cscn1 8275318a266690cd932782ff41159b62 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.66 C[C@H](O)CNc1nc[nH]n1 7452f0425308381a7d0af20c7fd67d16 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.66 FC(F)CNc1c[nH]cn1 41ea8a32587313ea6cb9e0f12cc1cec1 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 FC(F)COc1c[nH]cn1 a9fccc59a79c29767e3fc8c4cea2eede [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 NC(=O)CNc1c[nH]cn1 49f3dce7c7daf9f8a40be1fbe24cd813 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.66 NC(=O)CNc1c[nH]nn1 8fe91d6faf2a50eadec79d27475e9ed8 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.66 NC(=O)CNc1cc[nH]n1 7cdfdeea9429ab53c0a8dc2ac68b0a3d [0,0,0,0,0,0|4,0,0]=4 55 B10R1.66 NC(=O)CNc1ccco1 382c54ff125dc94771cf8fb1720983d9 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.66 NC(=O)CNc1cccs1 c1848d6f8f82234eb7410dbb98641bc4 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.66 NC(=O)CNc1ccoc1 5e070431fd81b0f7f5570d10e8a348df [0,0,0,0,0,0|4,0,0]=4 58 B10R1.66 NC(=O)CNc1ccon1 31b95fcade242f4917a8d2e3da9ef84c [0,0,0,0,0,0|4,0,0]=4 59 B10R1.66 NC(=O)CNc1ccsc1 5cd29110a17785039639f3a93348a900 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.66 NC(=O)CNc1ccsn1 8b028178446c276024a11468ce5142a9 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.66 NC(=O)CNc1cn[nH]c1 8ff45b33e12396310c0ef42254b718a6 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.66 NC(=O)CNc1cncs1 4ea136fe65de731c5a6ed75fce9fde24 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.66 NC(=O)CNc1cnon1 74b4598627e7ec8969b0937eca108160 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.66 NC(=O)CNc1cnsn1 5ddff2e71b59144fe1a09874eaef20eb [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 NC(=O)CNc1cocn1 2685411193f495f19c3dcb122ff22cd2 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.66 NC(=O)CNc1cscn1 69ae87ec27c5df6a6e1ae9a3c6120e24 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.66 NC(=O)CNc1csnn1 6da5560a0dc640b8b570ac3790ee254f [0,0,0,0,0,0|4,0,0]=4 68 B10R1.66 NC(=O)CNc1nc[nH]n1 0a9b733f95f6571a5b181cf8f4168b0c [0,0,0,0,0,0|3,0,0]=3 69 B10R1.66 NC(=O)CNc1ncc[nH]1 504be38ee16209c576e95730067f4504 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.66 NC(=O)CNc1ncco1 fbf6a938366b6f1a796a59255db001be [0,0,0,0,0,0|4,0,0]=4 71 B10R1.66 NC(=O)CNc1nccs1 e2cfa54d42aea0c2a25e4db782daf819 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.66 NC(=O)CNc1ncns1 51cadb9632de11439eca25a26992d557 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.66 NC(=O)CNc1ncon1 a543b84fa7eca5333b77b5f56dda9db9 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 NC(=O)CNc1ncsn1 bbc6df9e71f622601b029c729b601f47 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.66 NC(=O)CNc1nn[nH]n1 7fbe2b224ebdc6d672112b45e20af91b [0,0,0,0,0,0|4,0,0]=4 76 B10R1.66 NC(=O)COc1c[nH]cn1 c659a70f0960037fb1ab525386925538 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.66 NC(=O)COc1ccco1 1a2e54051ed18393ef61d43ef5486554 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.66 NC(=O)COc1cccs1 6d788ab9a430fdaac4ae196a6438a596 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.66 NC(=O)COc1ccsc1 0dafde6fce1261fe98ca455f04cb05e4 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.66 NC(=O)COc1cn[nH]c1 8f5fb88f8e2aa69fe4b9eb7e280e5d14 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.66 NC(=O)COc1cnsn1 0022c651e3e225b7661268021145c712 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.66 NC(=O)COc1nccs1 3d3b2567f9e6dbfd941cd3316d3ca628 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.66 NC(=O)COn1cccn1 f651d3d8abe961a7da90ccd8c570b590 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.66 O=C(O)CCN1CC=CC1 c65ba50af520c1ae6b0360bbe16ef8eb [0,0,0,0,0,0|3,0,1]=4 85 B10R1.66 O=C(O)CNc1cc[nH]n1 db21ff944449ddece077f94178dc891f [0,0,0,0,0,0|3,0,0]=3 86 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.66 O=C(O)CNc1ccno1 375180111439d2c3a881638818b3cb4d [0,0,0,0,0,0|3,0,1]=4 88 B10R1.66 O=C(O)CNc1ccns1 dac4fdf38bec8833fc07971060e129f7 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.66 O=C(O)CNc1ccon1 15c6b384b84d1c04d9a068fd4ffcbf06 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.66 O=C(O)CNc1ccsc1 c844ee29c143c2527480ec93d2f5fc5f [0,0,0,0,0,0|3,0,0]=3 91 B10R1.66 O=C(O)CNc1cn[nH]c1 688c6e19a1333a0f4fb0e26e51543d95 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.66 O=C(O)CNc1cncs1 a857a27f873c3d80f04b7345ceefb23b [0,0,0,0,0,0|2,0,1]=3 93 B10R1.66 O=C(O)CNc1cnns1 ebfe1c777491f416e1a7d79381f02575 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.66 O=C(O)CNc1cnoc1 c8622be078091e0977d9ce9dd53d4609 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.66 O=C(O)CNc1cnon1 62e811ef446f658f0cf6deed4ede28f1 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.66 O=C(O)CNc1cnsc1 55a2c7fd1ec5becc8fcb8e946a372e7a [0,0,0,0,0,0|3,0,1]=4 97 B10R1.66 O=C(O)CNc1cocn1 a8c539d2b48144c59d381afebd90d7fe [0,0,0,0,0,0|2,0,0]=2 98 B10R1.66 O=C(O)CNc1cscn1 6412361c6df5c58a950b702f8eef61ac [0,0,0,0,0,0|2,0,0]=2 99 B10R1.66 O=C(O)CNc1nc[nH]n1 c1da874f0b865f5ce9169b4d3d57e5ab [0,0,0,0,0,0|2,0,0]=2 100 B10R1.66 O=C(O)CNc1ncc[nH]1 ede0a8770fcc3d335ca44ac1a91b218c [0,0,0,0,0,0|3,0,0]=3 101 B10R1.66 O=C(O)CNc1ncco1 9cee89407c4dddbde9fb6861286ad5b4 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.66 O=C(O)CNc1nccs1 3e17b5f63b4ce8946d14c136eab5e07e [0,0,0,0,0,0|3,0,0]=3 103 B10R1.66 O=C(O)CNc1ncns1 881b5d3c5da979e461967a2502e221c6 [0,0,0,0,0,0|2,0,1]=3 104 B10R1.66 O=C(O)CNc1ncon1 99501f6e4de3235bc53a9db4d782bd46 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.66 O=C(O)CNc1nn[nH]n1 dff986bad9409ff9554cf6be1da66ecf [0,0,0,0,0,0|3,0,0]=3 106 B10R1.66 O=C(O)CNc1nnco1 11a000b0cb01904b3e00ef5807bb14fa [0,0,0,0,0,0|3,0,1]=4 107 B10R1.66 O=C(O)CNc1nncs1 41178908f48871d665b0d40dce230bbe [0,0,0,0,0,0|3,0,1]=4 108 B10R1.66 O=C(O)CNc1nnns1 5625aab064b3ba6b78b74a438592c4f1 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.66 O=C(O)COc1c[nH]cn1 ef84dd58bacee98312668113ab73c4d1 [0,0,0,0,0,0|1,0,0]=1 110 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [0,0,0,0,0,0|3,0,0]=3 111 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [0,0,0,0,0,0|3,0,0]=3 112 B10R1.66 O=C(O)COc1ccn[nH]1 a90818a9bc4e7c43ef2c4a1e00326fa7 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.66 O=C(O)COc1ccsc1 aa5433da28ee2912bef48e37dea2acb0 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.66 O=C(O)COc1cn[nH]c1 1628b60d284193acfc0bd5c49c185fad [0,0,0,0,0,0|3,0,0]=3 115 B10R1.66 O=C(O)COc1cnoc1 752626578db0ad01be74a4aa160152e2 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.66 O=C(O)COc1cnsn1 49a66a4f8bc0a34c9276e20bcff0f3f0 [0,0,0,0,0,0|2,0,1]=3 117 B10R1.66 O=C(O)COc1nccs1 b23965ccbe0f43dd52e5f972404f42af [0,0,0,0,0,0|3,0,0]=3 118 B10R1.66 O=C(O)COc1nncs1 df27f503f1c95204883ec398900ca1bd [0,0,0,0,0,0|3,0,1]=4 119 B10R1.66 O=C(O)COn1cccn1 7d9e6a5258c3681847adae5700b7b251 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.66 O=C(O)COn1ccnc1 18d76e909c8852398a2e6434e10a688c [0,0,0,0,0,0|3,0,1]=4 121 B10R1.66 O=[N+]([O-])CNc1cocn1 0caf5b1bf81011d38658922bbf47d898 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.66 O=[N+]([O-])CNc1cscn1 d491ff6deaee1b40aaa69eadb866f69e [0,0,0,0,0,0|3,0,1]=4 123 B10R1.66 O=[N+]([O-])CNc1nc[nH]n1 69aeff503da4dfeda1314e1794370df2 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.66 O=[N+]([O-])COc1c[nH]cn1 750efdaac75656bc9e7254c54bd2aaa1 [0,0,0,0,0,0|2,0,1]=3 125 B9R1.12 BrCCNc1c[nH]cn1 e3353379c63a01d677f06d71e18efdc7 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.12 C#CCOc1c[nH]cn1 1abdb3ca715b3f825ee75286fb29a514 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.12 C=CCNc1cocn1 b94d2470b1d0c692246ebaa4f15c1fc7 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.12 C=CCNc1cscn1 82a6a217cdb39945204f14e412a4d25a [1,0,0,0,0,0|3,0,0]=4 129 B9R1.12 C=CCNc1nc[nH]n1 d48936cac6c06c91e58069c1d263145d [1,0,0,0,0,0|3,0,0]=4 130 B9R1.12 C=CCOc1c[nH]cn1 b64bd5797da60b1d481d5ef5f4601f86 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.12 CCCNc1c[nH]cn1 6b63b2271006eeda903e175a88c0546a [1,0,0,0,0,0|2,0,1]=4 132 B9R1.12 CCCOc1c[nH]cn1 45a2af4246e68dfa1ee3afde5dc82ddf [1,0,0,0,0,0|2,0,1]=4 133 B9R1.12 COCOc1c[nH]cn1 6c2115fe6273b19af20bea24cbbde651 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.12 CSCOc1c[nH]cn1 8e109d64c8f73539e4b4622297cabda6 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.12 FCCNc1c[nH]cn1 aca0ac46f26567f63e90cf175af21f1c [1,0,0,0,0,0|2,0,1]=4 136 B9R1.12 FCCOc1c[nH]cn1 b820b1994a62f3f50fb0c49bdfb2f5e4 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.12 N#CCOc1c[nH]cn1 6d504de1db4ffa22efb807049bcf74e6 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.12 O=CCNc1cc[nH]n1 e72cee3a1b484d842b20dd94fb992dce [1,0,0,0,0,0|3,0,0]=4 139 B9R1.12 O=CCNc1cccs1 60a129f7ce0ed47960cff2a58ff45c1c [1,0,0,0,0,0|3,0,0]=4 140 B9R1.12 O=CCNc1ccon1 729bd73a3f1a6a68c182f73343a1fc4c [1,0,0,0,0,0|3,0,0]=4 141 B9R1.12 O=CCNc1ccsc1 3a6584211dd17ad08e5baa6d7dda34d0 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.12 O=CCNc1cn[nH]c1 a53cb70f64a465889500acb9530737cf [1,0,0,0,0,0|3,0,0]=4 143 B9R1.12 O=CCNc1cncs1 5f5a2584eb4c060b08c3c591786f1ea1 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.12 O=CCNc1cnon1 08d793e2bd7a91662fbaceea3e48699d [1,0,0,0,0,0|2,0,1]=4 145 B9R1.12 O=CCNc1cocn1 d39f7e50656af0661ead6cb79ad14799 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.12 O=CCNc1cscn1 4e568c756a2c7a44625a27be1d3d2997 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.12 O=CCNc1nc[nH]n1 5fcdd5b3d2c48731c3e9de0f9f417f56 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.12 O=CCNc1ncc[nH]1 f0c7fa836e2298c47a69a99db749fc89 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.12 O=CCNc1ncco1 a903c622426cd77e9fe9761a3cc7b9bd [1,0,0,0,0,0|3,0,0]=4 150 B9R1.12 O=CCNc1nccs1 c96160d5367c01c3981c8d9d23e2d0ad [1,0,0,0,0,0|3,0,0]=4 151 B9R1.12 O=CCNc1ncns1 7a9b61fc6136d2dec6cef7d38203fd32 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.12 O=CCNc1ncon1 a5c07e73d62856315181dcb6fdac32c4 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.12 O=CCNc1ncsn1 068ed0d8bf189b833c74f2c1184880ce [1,0,0,0,0,0|3,0,0]=4 154 B9R1.12 O=CCNc1nn[nH]n1 69a41eecb9eb2af31f831c680112e238 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.12 O=CCOc1c[nH]cn1 70217748d9d99784da867c7efa39800b [1,0,0,0,0,0|1,0,0]=2 156 B9R1.12 O=CCOc1ccco1 1e74f64104a9bfe1c6a709b4cd3c3941 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.12 O=CCOc1cccs1 8bfa681cbb01e0a1759e3c960c15aeb1 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.12 O=CCOc1ccsc1 2f35ae30e4bf47932468a295d2805438 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.12 O=CCOc1cn[nH]c1 801666a61bb8c138522176d99af82a20 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.12 O=CCOc1cnsn1 c994373c41e13c42d85a65c1a7b5883b [1,0,0,0,0,0|2,0,1]=4 161 B9R1.12 O=CCOc1nccs1 d224a78e24c64b41df9324845be0ebf6 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.12 O=CCOn1cccn1 8993160303afb662bd45700f0a166970 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.12 O=CNCc1cccs1 fecfb8c88f46a0100ee636a1638f8376 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.12 O=CNCc1ccoc1 2c2ecd250ae8d80c965c3936a532f64f [1,0,0,0,0,0|3,0,0]=4 166 B9R1.12 O=CNCc1ccon1 05a7c7357b01af9907ee2695fef4fb77 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.12 O=CNCc1ccsc1 71d20289537e24af987dd9a4d89d93c2 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.12 O=CNCc1ccsn1 444c9355991d0957139525c9d0279686 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.12 O=CNCc1cnco1 ee7ea837847f21c2df5abd28f3d73bda [1,0,0,0,0,0|2,0,1]=4 170 B9R1.12 O=CNCc1cncs1 20afedbba0f28c6c3d07abf84cac939f [1,0,0,0,0,0|2,0,1]=4 171 B9R1.12 O=CNCc1cocn1 42478e097d60710681f75d45a49c9050 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.12 O=CNCc1cscn1 41d80a5eda7e9f8599d0e415e67384b2 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.12 O=CNCc1ncco1 ae229f156f358694ec9fa8df5fdba020 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.12 O=CNCc1nccs1 d021f154403f9d3ac1cd2b03fa215329 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.12 OCCNc1c[nH]cn1 6bbb7b84fc258f74f81697f9e606085b [1,0,0,0,0,0|1,0,1]=3 176 B9R1.12 OCCNc1cocn1 53f1a08e03b0c5dc1d44b11951086402 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.12 OCCNc1cscn1 7621abb92b5880bf9a85fff3da9e8ad1 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.12 OCCNc1nc[nH]n1 372bf16063f7b1f99404eb83be627f80 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.12 OCNCc1c[nH]nn1 2b674755bc1c50eed907f2032855aad2 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.12 OCNCc1cc[nH]c1 f5a137e18f15de138541ca934254f440 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.12 OCNCc1cocn1 62065bc3c4e6fec9b8a9661dcdc38734 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 OCNCc1cscn1 c4e4a0e9b088904696061154b9ed9b67 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.12 SCCNc1c[nH]cn1 af96bbb92100de36270e27c0d09d7a3f [1,0,0,0,0,0|1,1,1]=4 184 B9R1.12 SCCOc1c[nH]cn1 1300716bd16a960bf2b18e9a9bc5a065 [1,0,0,0,0,0|1,1,1]=4 185 B11R1.25 C#CC(=O)NCc1cocn1 356cf8da1ce48dfb87352eae6c3d3cd8 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.25 C#CC(=O)NCc1cscn1 f1c9d81546bec139e429c285cd86a512 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.25 C=C(C#N)COc1c[nH]cn1 240e494cf23b62d39bfeee0c6d552f20 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.25 C=C(C=O)OCc1cocn1 d217778735a849ee4d30a08d14b74c08 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.25 C=C(C=O)OCc1cscn1 0a6d5b60a7acd783d05e3409b80b8b71 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.25 C=C(C=O)OCc1nc[nH]n1 c1e1f5cd196fb0a0182541911497836e [0,1,0,0,0,0|3,0,0]=4 191 B11R1.25 C=C(CC)COc1c[nH]cn1 3590b857de55453d10397c1a53bf261b [0,1,0,0,0,0|3,0,0]=4 192 B11R1.25 C=C(CNc1cocn1)OC 0cc234a55b8620146386e86e42a680b7 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.25 C=C(CNc1cscn1)OC 45be8a995d7145ea7e6e55bea7f78f0d [0,1,0,0,0,0|3,0,0]=4 194 B11R1.25 C=C(CNc1nc[nH]n1)OC 489f58965b11b6ab163fe11d576067d5 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.25 C=C(CO)CNc1cocn1 7069ebf1c940f8fcbfc68651bf3bed98 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.25 C=C(CO)CNc1cscn1 0925f934fe7bc1fcd84c0ea3eabd2059 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.25 C=C(CO)CNc1nc[nH]n1 a9f6ecf543572deaf40abb4aaa7be54f [0,1,0,0,0,0|3,0,0]=4 198 B11R1.25 C=C(COc1c[nH]cn1)OC d861b6c803e52858cc5227ec7909a066 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.25 C=CC(=O)NCc1cocn1 2dcd60ce957950692dfb3f1179669e2b [0,1,0,0,0,0|3,0,0]=4 200 B11R1.25 C=CC(=O)NCc1cscn1 372f34cacddd64b8a151e9a885bfa255 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.25 C=CC(O)CNc1c[nH]cn1 db022d49b3a126d5b29b122c77a9451c [0,1,0,0,0,0|2,0,1]=4 202 B11R1.25 CC(CO)CNc1c[nH]cn1 e82180705dd048444fc499a9a4401e0e [0,1,0,0,0,0|2,0,1]=4 203 B11R1.25 CCC(=O)CNc1cocn1 1210b9cc4362ce824421d62a1eadb08f [0,1,0,0,0,0|3,0,0]=4 204 B11R1.25 CCC(=O)CNc1cscn1 a30a56d95073ebde8e56e9f8a798b1f0 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.25 CCC(=O)CNc1nc[nH]n1 eb647ec40d9a73d955c80adcbfa21d3f [0,1,0,0,0,0|3,0,0]=4 206 B11R1.25 CCC(=O)COc1c[nH]cn1 ebbdc63684d5436c52d4180c6f23caed [0,1,0,0,0,0|2,0,0]=3 207 B11R1.25 CCC(=O)NCc1cocn1 3cd8317583d3b66432aef148bb9d4668 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.25 CCC(=O)NCc1cscn1 bf38b5d479d0b75d3c0776e9b580e1e0 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.25 CCC(O)CNc1c[nH]cn1 352f239535f2fa9e21fefff4fbb1d58d [0,1,0,0,0,0|2,0,1]=4 210 B11R1.25 CCN(C)CCc1c[nH]cn1 6d06ee2cf4ac187e9996d3f73566a236 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.25 CC[C@@H](O)CNc1c[nH]cn1 882c08a9289b2aae2b5b9dea4365d242 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.25 CNC(=O)CNc1c[nH]cn1 3ba1c24a173fe35aeb7bd6c7cad38921 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.25 CNC(=O)CNc1c[nH]nn1 f153eae08ac4bc0403c9d55cb135b13b [0,1,0,0,0,0|3,0,0]=4 214 B11R1.25 CNC(=O)CNc1cocn1 1ff73a9eb3a91a3a990010c83ff35377 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.25 CNC(=O)CNc1cscn1 7b46de705142337095b611ec39e8d3ef [0,1,0,0,0,0|3,0,0]=4 216 B11R1.25 CNC(=O)CNc1nc[nH]n1 6a1f8911b951ce355e4eae4ca54cb660 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.25 CNC(=O)COc1c[nH]cn1 e448e9c8dfb0be1afe3480ec5482696e [0,1,0,0,0,0|2,0,0]=3 218 B11R1.25 COC(=O)CNc1c[nH]cn1 e64d47096504f5f42cada853c8edcbec [0,1,0,0,0,0|1,0,0]=2 219 B11R1.25 COC(=O)CNc1c[nH]nn1 35c83e5a4d6c609b97d1464c9d0c819f [0,1,0,0,0,0|2,0,0]=3 220 B11R1.25 COC(=O)CNc1cc[nH]n1 fcab37a30183ce39825836b0e02a4349 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.25 COC(=O)CNc1ccco1 3a8934ef990493a0e0bc38424c480317 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.25 COC(=O)CNc1ccoc1 3b0b2a9e0e22930ab4c9b0e20c2655da [0,1,0,0,0,0|3,0,0]=4 224 B11R1.25 COC(=O)CNc1ccon1 a82b5ed4803eaf0b526755b5a59c9bb6 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.25 COC(=O)CNc1ccsc1 9e2f35ddcf7692c5d21471ff11dd0e74 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.25 COC(=O)CNc1cn[nH]c1 10f8b6c4f17cca4965b08c562bfd4d7a [0,1,0,0,0,0|3,0,0]=4 227 B11R1.25 COC(=O)CNc1cncs1 c01a099ef8dc3588d722571f51d1b087 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.25 COC(=O)CNc1cnon1 56747a14221ce223688bca68da271d8c [0,1,0,0,0,0|2,0,1]=4 229 B11R1.25 COC(=O)CNc1cnsn1 4681416b83517198aa9909cde56a134b [0,1,0,0,0,0|2,0,1]=4 230 B11R1.25 COC(=O)CNc1cocn1 42480067c6bf174166ecba97a9cb09c1 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.25 COC(=O)CNc1cscn1 f405f57d6368eef397ba12af148c0ab1 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.25 COC(=O)CNc1nc[nH]n1 5cbf111c79fda1a60516a0cb29e5887e [0,1,0,0,0,0|2,0,0]=3 233 B11R1.25 COC(=O)CNc1ncc[nH]1 7c9601fb92d5394e0818a2daf4963f44 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.25 COC(=O)CNc1ncco1 feededd87b0a92f1d612ca2091d69650 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.25 COC(=O)CNc1nccs1 003289569b44bbfe2ad788550ab8ae0b [0,1,0,0,0,0|3,0,0]=4 236 B11R1.25 COC(=O)CNc1ncns1 84ed557b55abe3e27f6f8ca9606fd9e5 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.25 COC(=O)CNc1ncon1 6573b255521063ff5fbf103d23081616 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.25 COC(=O)CNc1ncsn1 577278b8e51779e7d9cd3f470d6488d1 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.25 COC(=O)CNc1nn[nH]n1 91f35b16a469fe11e7a74b995e7af8a8 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.25 COC(=O)COc1c[nH]cn1 9369fa30531e54866f72486578d3dc55 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.25 COC(=O)COc1ccco1 7e5bb533074d72185d76d28364661292 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,1,0,0,0,0|3,0,0]=4 243 B11R1.25 COC(=O)COc1ccsc1 24d92bb61ae31d91c027c6b689340358 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.25 COC(=O)COc1cn[nH]c1 8d0d190257cec7fb89f423a87827a684 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.25 COC(=O)COc1cnsn1 3f0198bef2b511120da1ad9193f2cc70 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.25 COC(=O)COc1nccs1 f20c3b0834e1b93e4a4a1a0d0751d246 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.25 COC(=O)COn1cccn1 235698a7cc8b03bc924c547fa93503f3 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.25 COC(C)COc1c[nH]cn1 1b0a31a5e46ddc0eaaaab1d4c0ba23e5 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.25 CO[C@@H](C)COc1c[nH]cn1 0235f19c5a037532b267fc10fb162d3c [0,1,0,0,0,0|2,0,1]=4 250 B11R1.25 CO[C@H](C)COc1c[nH]cn1 372df91592b13d7cb4a6e00b5bc70720 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.25 C[C@H](CO)CNc1c[nH]cn1 09fa3b72b9b95be22671dd8e44ad6a24 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.25 Cl/C=C(\Cl)/COc1c[nH]cn1 cb19ea9603e3f20ccdf795af6f70b4b1 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.25 O=C(CF)NCc1cocn1 eb5e480675259b80b46bee9e192abea5 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.25 O=C(CF)NCc1cscn1 83e1f932e5b4631f2f82e6ba67bb43df [0,1,0,0,0,0|3,0,0]=4 255 B11R1.25 O=C(CNc1c[nH]cn1)NO 3de24375f14a6a86af69374a7810ee35 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.25 O=C(CNc1c[nH]nn1)NO cdab7cbc1d4df40f420852733e6a81c9 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.25 O=C(CNc1cc[nH]n1)NO 233b68dd9ee4b62b4d75e38b70e0f4a0 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.25 O=C(CNc1ccco1)NO 0a52081a67fc28cf2437bd0732b582b4 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.25 O=C(CNc1cccs1)NO 92d01323f7fef31bbc2e5237b4442732 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.25 O=C(CNc1ccoc1)NO 5a7087beda88807f361b669ac9b8d3fe [0,1,0,0,0,0|3,0,0]=4 261 B11R1.25 O=C(CNc1ccsc1)NO 1b4e311fc27f694b92d3ed838a290427 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.25 O=C(CNc1ccsn1)NO 90f1438ad4fe417bed1252879b454cfa [0,1,0,0,0,0|3,0,0]=4 263 B11R1.25 O=C(CNc1cncs1)NO 7efd0ea3a158d89eb90da3386e7a1bda [0,1,0,0,0,0|2,0,1]=4 264 B11R1.25 O=C(CNc1cnsn1)NO 242d7b9f5d8c7055a1d7816511177109 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.25 O=C(CNc1cocn1)NO 37f65050f6c63cfe32a8eef9630a4fda [0,1,0,0,0,0|2,0,0]=3 266 B11R1.25 O=C(CNc1cscn1)NO febff62309e4578eddfead49dd43d880 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.25 O=C(CNc1ncc[nH]1)NO 131b7cc71e56a136d5ab8d13b0987d1d [0,1,0,0,0,0|3,0,0]=4 268 B11R1.25 O=C(CNc1nccs1)NO f5f45399f283c9ce57fab174a55a55f6 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.25 O=C(CNc1ncns1)NO 34878d9f2d501622eeb0ed86fb237af3 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.25 O=C(CO)CNc1cc[nH]n1 c9a27255d67f0110edb8dd558f01a4d8 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.25 O=C(CO)CNc1cccs1 2fa55ac8bbb5c873ad00e48a9966c29f [0,1,0,0,0,0|3,0,0]=4 272 B11R1.25 O=C(CO)CNc1ccon1 8efe4e2a5f632db045cb17727890f9de [0,1,0,0,0,0|3,0,0]=4 273 B11R1.25 O=C(CO)CNc1ccsc1 ac31cd0e94962b6cbd74503b5f553fa3 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.25 O=C(CO)CNc1cn[nH]c1 6cbf6a196f14ad2235483e3a32a31df1 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.25 O=C(CO)CNc1cncs1 fcbfd578c3981ba268fa75874125c4c8 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.25 O=C(CO)CNc1cnon1 d5f02d411357f6505bafb7a8c25eda6d [0,1,0,0,0,0|2,0,1]=4 277 B11R1.25 O=C(CO)CNc1cocn1 778f21cb194ddb87f0cdda1f1cf5bdbf [0,1,0,0,0,0|2,0,0]=3 278 B11R1.25 O=C(CO)CNc1cscn1 013df9a49665020969201a383e2f8152 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.25 O=C(CO)CNc1nc[nH]n1 c6e91332c42b91e6cba6b3dbca14883d [0,1,0,0,0,0|2,0,0]=3 280 B11R1.25 O=C(CO)CNc1ncc[nH]1 69704ea6c43fc74150b022b23878a3c0 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.25 O=C(CO)CNc1ncco1 a77c7f1da0fa7ae8f9927e6aed614ed2 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.25 O=C(CO)CNc1nccs1 901ef886dfd9a645055e9e4f46953aca [0,1,0,0,0,0|3,0,0]=4 283 B11R1.25 O=C(CO)CNc1ncns1 080452ba87356c7b6836d26c14fb1b64 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 O=C(CO)CNc1ncon1 38ce0ae3875c7180a3a1bc6b21f2eac5 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.25 O=C(CO)CNc1ncsn1 52f01f3fec64f584dd7fec70dcf150ea [0,1,0,0,0,0|3,0,0]=4 286 B11R1.25 O=C(CO)CNc1nn[nH]n1 30c5c23cd9b26c2986ba9cda9c9e1bd5 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [0,1,0,0,0,0|3,0,0]=4 288 B11R1.25 O=C(CO)NCc1cccs1 99ae0ae91c0a822e251b5bff14f6cde8 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.25 O=C(CO)NCc1ccoc1 1d24d44a2f749ebcb98e10358aad542b [0,1,0,0,0,0|3,0,0]=4 290 B11R1.25 O=C(CO)NCc1ccon1 3abafc1beef1a9251f31610b9598d86e [0,1,0,0,0,0|3,0,0]=4 291 B11R1.25 O=C(CO)NCc1ccsc1 cb06569039dcd858c5bdfd9bf3d31c2f [0,1,0,0,0,0|3,0,0]=4 292 B11R1.25 O=C(CO)NCc1ccsn1 35f66b5178aa1b1e96ec67df0d768af2 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.25 O=C(CO)NCc1cnco1 4a13a21d3b08dc48052a719f6e101dbd [0,1,0,0,0,0|2,0,1]=4 294 B11R1.25 O=C(CO)NCc1cncs1 ed003aa244bdb50fb4baaedf7d0fc0f9 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.25 O=C(CO)NCc1cocn1 833600ada4942dcdce11c47084de5e9d [0,1,0,0,0,0|2,0,0]=3 296 B11R1.25 O=C(CO)NCc1cscn1 78c572a6e258cb111e5ab976305bedbb [0,1,0,0,0,0|2,0,0]=3 297 B11R1.25 O=C(CO)NCc1ncco1 e3899f38fa2e20a5067a6a3ba3371079 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.25 O=C(CO)NCc1nccs1 65d54e94672af8f9f1f2be1a10536bcf [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 O=C(CS)NCc1cocn1 f8900bc7cc73ce9bed4993932f4d1be2 [0,1,0,0,0,0|2,1,0]=4 300 B11R1.25 O=C(CS)NCc1cscn1 8bee3b4d4996b12ec4da076c3c72f320 [0,1,0,0,0,0|2,1,0]=4 301 B11R1.25 O=CC(=O)NCc1cocn1 e08aa49212a5e936ff04b9142077bbdc [0,1,0,0,0,0|2,0,1]=4 302 B11R1.25 O=CC(=O)NCc1cscn1 4cce0eba5319c1466963681c81dbeaf3 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.25 OCC(F)CNc1c[nH]cn1 88ddf694b4e4a6beba3fa9c1db753f95 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.25 OCC(O)CNc1c[nH]cn1 d3378fd20ffd748f937a229518e1c9c5 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.25 OCC(O)COc1c[nH]cn1 1423852d7d3665acd701ee5787e55adc [0,1,0,0,0,0|1,0,2]=4 306 B11R1.25 OC[C@@H](F)CNc1c[nH]cn1 cefc0879e266700f6b394c3b9cb3b97e [0,1,0,0,0,0|2,0,1]=4 307 B11R1.25 OC[C@@H](O)CNc1c[nH]cn1 efecf40ebb359af03d859481910fbcd2 [0,1,0,0,0,0|1,0,2]=4 308 B11R1.25 OC[C@@H](O)COc1c[nH]cn1 c5a884faf7900a77b3c03ab591023486 [0,1,0,0,0,0|1,0,2]=4 309 B11R1.25 OC[C@H](F)CNc1c[nH]cn1 08be8d9e9b42630e7616876427b535d7 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.25 OC[C@H](O)CNc1c[nH]cn1 f915932627de83064754d4668e4a3301 [0,1,0,0,0,0|1,0,2]=4 311 B11R1.25 OC[C@H](O)COc1c[nH]cn1 0028bf63c2a12041a59698737bf402bf [0,1,0,0,0,0|1,0,2]=4 312 B11R1.35 CC(=O)C(C)Nc1cocn1 6817ff68c31034e0169670a66aea4cfd [0,1,0,0,0,0|3,0,0]=4 313 B11R1.35 CC(=O)C(C)Nc1cscn1 1782a2ac16f7b60d8d8280c635128f5a [0,1,0,0,0,0|3,0,0]=4 314 B11R1.35 CC(=O)C(C)Nc1nc[nH]n1 6db3ad6562e307897e205a2484dbac2e [0,1,0,0,0,0|3,0,0]=4 315 B11R1.35 CC(=O)C(C)Oc1c[nH]cn1 ff154e84df5be6126ad7296dcdda4d34 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.35 CC(Nc1c[nH]cn1)C(=O)N 113e790154c5dc1b39fe6636456ae58b [0,1,0,0,0,0|2,0,0]=3 317 B11R1.35 CC(Nc1cscn1)C(=O)N 95d2186d8d23c121460221b66ecdc2fb [0,1,0,0,0,0|3,0,0]=4 318 B11R1.35 CC(Oc1c[nH]cn1)C(=O)N 29be5edabcaf740a90fc832940753354 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.35 CC(Oc1c[nH]cn1)C(=O)O dbb2c01a0ba87e181d7242792aa42b10 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.35 CC(On1cccn1)C(=O)O fd30df12defcf87d64a96c5345b5be0b [0,1,0,0,0,0|3,0,0]=4 321 B11R1.35 C[C@@H](Nc1c[nH]cn1)C(=O)N ca263924826933be3edb69bc1b04ff64 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.35 C[C@@H](Nc1cscn1)C(=O)N 224e8a67f9aef3262578769476998c0f [0,1,0,0,0,0|3,0,0]=4 323 B11R1.35 C[C@@H](Oc1c[nH]cn1)C(=O)N 90c1ce460ed0355ee90c0a175426da41 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.35 C[C@@H](Oc1c[nH]cn1)C(=O)O ba9315c77565d829b4a0aae3ec5ef969 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.35 C[C@@H](On1cccn1)C(=O)O 227bd1aeed507624871347fd42185264 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.35 C[C@H](Nc1c[nH]cn1)C(=O)N ca161898589bf019b0614fe13983f126 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.35 C[C@H](Nc1cscn1)C(=O)N bf65e3b9c2adfb962b5bf416626c32c3 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.35 C[C@H](Oc1c[nH]cn1)C(=O)N 9b58fdd5d32c92a6c2fe146b42105b5e [0,1,0,0,0,0|2,0,0]=3 329 B11R1.35 C[C@H](Oc1c[nH]cn1)C(=O)O effd76e4bdd4ea74bca4131092d0baec [0,1,0,0,0,0|1,0,0]=2 330 B11R1.35 C[C@H](On1cccn1)C(=O)O 8c8d3f2c41b62df2d4b4d12131ba7755 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.35 NC(=O)C(F)Nc1cocn1 6aae230ede244a71714ff1b948db2c0b [0,1,0,0,0,0|3,0,0]=4 332 B11R1.35 NC(=O)C(F)Nc1cscn1 ff94a8f51f4a64f17061b562ea237a5e [0,1,0,0,0,0|3,0,0]=4 333 B11R1.35 NC(=O)C(F)Nc1nc[nH]n1 318de59e906e92088371ae032be13b6b [0,1,0,0,0,0|3,0,0]=4 334 B11R1.35 NC(=O)C(F)Oc1c[nH]cn1 1fb2ba64c7ad4eefd4f4daae8137fb8d [0,1,0,0,0,0|2,0,0]=3 335 B11R1.35 O=C(O)C(F)Nc1cn[nH]c1 d1c526fe5168e67c5ff3fd2df37fc612 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.35 O=C(O)C(F)Nc1cnon1 053e01b4d9d84e110456eaf753ca2540 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.35 O=C(O)C(F)Nc1ncco1 bd8b2ec1c664bd7da10b117626235b5a [0,1,0,0,0,0|3,0,0]=4 338 B11R1.35 O=C(O)C(F)Nc1nccs1 f3ad0a2152de02de4d1cbcd0f6496edd [0,1,0,0,0,0|3,0,0]=4 339 B11R1.35 O=C(O)C(F)Oc1c[nH]cn1 61fbd857b8e69f534c7fee0b9a5d05da [0,1,0,0,0,0|1,0,0]=2 340 B11R1.35 O=C(O)C(F)Oc1cn[nH]c1 8b32f63e2259b8d1e96c045bf8f9b699 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.35 O=C(O)C(F)On1cccn1 2cadbd92fc3eb65550b3e2a20ed0b588 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.35 O=C(O)[C@H](F)Nc1cn[nH]c1 4818e44a29e6e4adf6b706b1d537a5aa [0,1,0,0,0,0|3,0,0]=4 343 B11R1.35 O=C(O)[C@H](F)Nc1cnon1 51930bc32d9437c2b876a3ef6dc4551c [0,1,0,0,0,0|2,0,1]=4 344 B11R1.35 O=C(O)[C@H](F)Nc1ncco1 f6923ba2dec0b9960af0160290d5d3df [0,1,0,0,0,0|3,0,0]=4 345 B11R1.35 O=C(O)[C@H](F)Nc1nccs1 4ea0e4ccd29c78a8b8766474ce0728c2 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.35 O=C(O)[C@H](F)Oc1c[nH]cn1 eab0b815f3385c3e77b7487f9ba7205c [0,1,0,0,0,0|1,0,0]=2 347 B11R1.35 O=C(O)[C@H](F)On1cccn1 d0e37b07ace3b784530fcff4bd524ddc [0,1,0,0,0,0|3,0,0]=4 348 B11R1.75 C=C(Br)CNc1c[nH]c(n1)N 635748054fb920adbcf5560472018693 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.75 C=C(Br)CNc1cn(cn1)C 8e6cbd19b05b7305ff4e1543a5859bee [0,1,0,0,0,0|3,0,0]=4 350 B11R1.75 C=C(C)CNc1c[nH]c(n1)N 4866d8ea0acf0db7b85d24ce0704eedb [0,1,0,0,0,0|3,0,0]=4 351 B11R1.75 C=C(C)CNc1cn(cn1)C ed060c7c508ee25ad50dab0962c1234e [0,1,0,0,0,0|3,0,0]=4 352 B11R1.75 C=C(Cl)CNc1cn(cn1)C 7205f48e4b59658aadd1d1218ae19a49 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.75 C=C(F)CNc1cn(cn1)C 920059638b804a4b4f38af9ac16223cd [0,1,0,0,0,0|3,0,0]=4 354 B11R1.75 CC(=O)CNc1c[nH]c(n1)N da7f05433e13466abacd85b438f66ab2 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.75 CC(=O)CNc1cn(cn1)C d019be0b128da512935f98524ec75bfa [0,1,0,0,0,0|2,0,0]=3 356 B11R1.75 CC(=O)CNc1coc(n1)N b9e0b4459c225ffdacc09eac55c537bc [0,1,0,0,0,0|3,0,0]=4 357 B11R1.75 CC(=O)CNc1csc(n1)N 670e1214cae16efa0e35ab019cb56a45 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.75 CC(=O)NCc1cn(cn1)C fc0c1bb0ffb8b35be6e2cf440ac8d967 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.75 CC(=O)NCc1cn(nn1)C 12c2ac3ee95f52c7445e2863e724a063 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.75 CC(=O)NCc1coc(n1)C f68086b8999937e17da266e4f80df767 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.75 CC(=O)NCc1csc(n1)Br 2fe72f13d7a047cef5ff1aed1ba7470a [0,1,0,0,0,0|3,0,0]=4 362 B11R1.75 CC(=O)NCc1csc(n1)C c8f56a84ab8a5c807766e5951d1f100b [0,1,0,0,0,0|3,0,0]=4 363 B11R1.75 CC(=O)NCc1csc(n1)Cl 1dede6422f7721b80462854645c31b2f [0,1,0,0,0,0|3,0,0]=4 364 B11R1.75 CC(=O)NCc1ncn(n1)C 83f0447cd584ad78569a263bbb65b81f [0,1,0,0,0,0|3,0,0]=4 365 B11R1.75 CC(O)CNc1cn(cn1)C c7ffd0c40443d472dd4314b1f3efd2a9 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.75 C[C@@H](O)CNc1cn(cn1)C 48cdd0686f876e16475b04672689a259 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.75 C[C@H](O)CNc1cn(cn1)C 0b28f6742ffefa4d5cb1704a80878870 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.75 Cc1cc(n[nH]1)NCC(=O)O 647674fae4df6a4aa2030b18d9431480 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.75 Cc1cc(no1)NCC(=O)O b76112efb5768c95af84e4b3d8000d5b [0,1,0,0,0,0|3,0,0]=4 370 B11R1.75 Cc1ccc(s1)NCC(=O)O 22e0aa6e8a63bef06bc74935a6d64ad6 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.75 Cc1cnc([nH]1)NCC(=O)O e4450ba460ca6fa03835931ac25c121e [0,1,0,0,0,0|3,0,0]=4 372 B11R1.75 Cc1cnc(o1)NCC(=O)O a9b0c1e5ed78ce5c0a81682de79f5b29 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.75 Cc1cnc(s1)NCC(=O)O 6ad80f06f6b58ac72ad417bc921eeb2c [0,1,0,0,0,0|3,0,0]=4 374 B11R1.75 Cc1coc(n1)NCC(=O)O 59a43d7601b80cf77802e5b404db0826 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.75 Cc1csc(c1)OCC(=O)O 38313bf3c28e10780f6f999b20f79b08 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.75 Cc1csc(n1)NCC(=O)O f5acf73cc0d397de1169be4da9c930a0 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.75 Cc1n[nH]c(n1)NCC(=O)O b7eb47b87c4144a5e1e9e8433f05b6d1 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.75 Cc1nc(cs1)NCC(=O)N 99a22504184e56ce78d3376c3277c318 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.75 Cc1nc(n[nH]1)OCC(=O)N 5723455ad09bf916988dea3528932881 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.75 Cc1nc(n[nH]1)OCC(=O)O 6daeb495aaa3fb02cc1731f433556f09 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.75 Cc1nc(no1)NCC(=O)O d44aa9e238a3f4a2336b5bed1f1b28a5 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.75 Cc1nc(ns1)NCC(=O)O 56ba11d859b9504f267f24cea39b77e7 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.75 Cc1ncc(o1)NCC(=O)O 1bb34fb248c6b88fa831a709082f154b [0,1,0,0,0,0|2,0,1]=4 384 B11R1.75 Cc1ncc(s1)NCC(=O)O 2826180d608035aa91fa4c4a4bc18023 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.75 Cc1noc(n1)NCC(=O)O dcb32ea99aebac3581cc55521fb6b03c [0,1,0,0,0,0|2,0,1]=4 386 B11R1.75 Cc1noc(n1)OCC(=O)O b5cc29516f5ff891beaa8dc41c7c7c61 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.75 Cc1nsc(n1)NCC(=O)O 710882a1dba8c984614ce412250d7906 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.75 Cn1cc(cn1)NCC(=O)O 747ce00713fb769806475b467006bd65 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.75 Cn1cc(cn1)OCC(=O)O 0c3312b1856d1505806aa5fb78984a2e [0,1,0,0,0,0|3,0,0]=4 390 B11R1.75 Cn1cc(nn1)NCC(=O)N 6ac581889f65bdccae0e9b5c0bba662c [0,1,0,0,0,0|3,0,0]=4 391 B11R1.75 Cn1cc(nn1)NCC(=O)O 35036dfe3a556356d3caace9d6d20c9a [0,1,0,0,0,0|2,0,0]=3 392 B11R1.75 Cn1ccc(n1)NCC(=O)O 925b7247da3a95eceb4b874d2723d16a [0,1,0,0,0,0|3,0,0]=4 393 B11R1.75 Cn1ccc(n1)OCC(=O)O 0e91eae5c8162a16ddf17246ce1db2c9 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.75 Cn1cnc(c1)NCC(=O)N 0008fb20c456b893020a6646a281d18a [0,1,0,0,0,0|2,0,0]=3 395 B11R1.75 Cn1cnc(c1)NCC(=O)O 2921fffcf280c914c4951231b5f2f0e6 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.75 Cn1cnc(c1)NC[N+](=O)[O-] c4e21b423ece814506c9659c2ea35345 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.75 Cn1cnc(n1)NCC(=O)N ec9c9121db5111f14a7d2f373329a779 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.75 Cn1cnc(n1)NCC(=O)O 599db826b94305d6b2a48e55cdee10da [0,1,0,0,0,0|2,0,0]=3 399 B11R1.75 Cn1ncc(n1)NCC(=O)O 54d3e7ac770e6f68de8b24e19b0299b7 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.75 Cn1nnc(n1)NCC(=O)O b28c9f33bb1d6943420b2799336e022e [0,1,0,0,0,0|3,0,0]=4 401 B11R1.75 NC(=O)CNc1c[nH]c(n1)N 6fc844874aef5852ea51ee29ff79abdc [0,1,0,0,0,0|2,0,0]=3 402 B11R1.75 NC(=O)CNc1coc(n1)N dcd8d06f5da96b2a10d82297440075c0 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.75 NC(=O)CNc1csc(n1)Br 805bcae77a44df15c8bc9abe2e20c79a [0,1,0,0,0,0|3,0,0]=4 404 B11R1.75 NC(=O)CNc1csc(n1)N c8ed4e2580302921cb4225037adf910e [0,1,0,0,0,0|3,0,0]=4 405 B11R1.75 NC(=O)CNc1n[nH]c(n1)Br 9cafbade4bf310382b534db4e2e203b4 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.75 NC(=O)CNc1n[nH]c(n1)S 9f4037d0ec18f1f6e7799c99b6d47fcb [0,1,0,0,0,0|3,0,0]=4 407 B11R1.75 O=C(O)CCN1CNC(=O)C1 ab144eddf730e25d152a3f65bc986843 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.75 O=C(O)CNc1cc(=O)[nH]o1 6182ee87575b2ea4a52ee6c0ff568b59 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.75 O=C(O)CNc1cc([nH]n1)Br 9f7c7679079e01556e4874319d5cea8b [0,1,0,0,0,0|3,0,0]=4 410 B11R1.75 O=C(O)CNc1cc([nH]n1)F 5bac59d6211438d029999d220ccfbccd [0,1,0,0,0,0|3,0,0]=4 411 B11R1.75 O=C(O)CNc1cc(sn1)Br 5e8bb525173e3c63108921f5fca079ea [0,1,0,0,0,0|3,0,0]=4 412 B11R1.75 O=C(O)CNc1ccc(s1)Br ec8ffaa3f1462b30e56964337da62428 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.75 O=C(O)CNc1cnc(s1)Br f8a534bd4db2d02db2fb8362d6087fc0 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.75 O=C(O)CNc1cnc(s1)S 6732c764807fa70083430ac6947c6169 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.75 O=C(O)CNc1csc(n1)Br 078608182e6976c303c8fc5f67e1a94c [0,1,0,0,0,0|2,0,0]=3 416 B11R1.75 O=C(O)CNc1n[nH]c(=O)[nH]1 a76653609807fd4ac5068930a85eea50 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.75 O=C(O)CNc1n[nH]c(n1)Br 4ce2bbb321d56899b5159f568bc38be4 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.75 O=C(O)CNc1n[nH]c(n1)S 46696a31a3f13bc5c35d7cde0f140111 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.75 O=C(O)CNc1nc(=S)ss1 bd220ace057692c2c290552617f60547 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.75 O=C(O)CNc1nc(c[nH]1)Br 186128b8206641c093de4b99574952c8 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.75 O=C(O)CNc1nc(co1)Br c2041b35aa2ff3a856b796fdf01bb1f3 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.75 O=C(O)CNc1nc(cs1)Br aec7bf1c9b99f30bd2b9c982d8d733b4 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.75 O=C(O)CNc1nc(cs1)Cl 48c5737d9e16a04e6ac1dcf806691ad8 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.75 O=C(O)CNc1nc(n[nH]1)Cl 52e485f018d29c5ea16c90836ecd03a3 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.75 O=C(O)CNc1nc(ns1)Br 3e2d528900cd6c8080580554f6922ed9 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.75 O=C(O)CNc1nc(ns1)Cl b3218fbba34dcd92682ceef52385df2c [0,1,0,0,0,0|2,0,1]=4 427 B11R1.75 O=C(O)CNc1ncc(s1)Br 24572fc2f3fd866d6b9efd8237205bb2 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.75 O=C(O)CNc1ncc(s1)Cl 5b6e860d653969611f76befcb14e411b [0,1,0,0,0,0|3,0,0]=4 429 B11R1.75 O=C(O)CNc1ncc(s1)F aa701e33e03c0b496418ad72d7da29f4 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.75 O=C(O)COC1=CC(=O)NC1 e61f694862451044cd5a2d748769a327 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.75 O=C(O)COC1=COC(=O)C1 302b3cdb3ace73180336e31c39e132b8 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.75 O=C(O)COc1cc(sn1)Cl d54f6e1e73737ee89d71b9e88ddb390b [0,1,0,0,0,0|3,0,0]=4 433 B11R1.75 O=C(O)COc1ccc(s1)Br 6376957df039886143d13884b2b268d5 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.75 O=C(O)COc1nc(cs1)Br 0f4988c3a6a485761355e37406f553c5 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.75 O=C(O)COc1nc(n[nH]1)Br d6363f97144d48bdbd0907a796b67709 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.75 O=C(O)COn1cc(cn1)I b8f05d7403df9ed3a113c9abb2252115 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.77 CC(=O)NC(C)c1cscn1 bf490a05719af0dacf6079b03b5c06ba [0,1,0,0,0,0|3,0,0]=4 438 B11R1.77 CN(CC(=O)N)c1c[nH]cn1 5b9db9ce53a9187fec167a4971aafa62 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.77 CN(CC(=O)N)c1c[nH]nn1 f3b8a7aa166206178b3b26831af801a2 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.77 CN(CC(=O)N)c1cocn1 a06069f33d5e820b59c1f5a331269341 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.77 CN(CC(=O)N)c1cscn1 a8c2651c9ea497eb7b773e5a6770c827 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.77 CN(CC(=O)O)c1cc[nH]n1 7c4207fc289a355c8bd67f765864372d [0,1,0,0,0,0|3,0,0]=4 443 B11R1.77 CN(CC(=O)O)c1ccon1 cbe593e4beaa0b9c92e34219e95c3081 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.77 CN(CC(=O)O)c1ccsc1 9fcbbe52f1b3356ee27a769295eae137 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.77 CN(CC(=O)O)c1ncc[nH]1 69317654486ebe27f3e0595b972a4169 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.77 CN(CC(=O)O)c1ncco1 c91892fc17a595c52495ce8f5ff28e21 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.77 CN(CC(=O)O)c1nccs1 74773f367c38048a024d1ff3d6578e47 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.90 CC(=O)CNc1nc[nH]c1C a323939d9deaefc2e9a0dccc9533e3ce [0,1,0,0,0,0|2,0,0]=3 449 B11R1.90 CC(=O)NCc1ncoc1C 45d2d5362019d7f10f1974d937ea79ad [0,1,0,0,0,0|3,0,0]=4 450 B11R1.90 Cc1[nH]ncc1OCC(=O)O 35a8836a376ecd68d125008cc86ab090 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.90 Cc1c[nH]nc1NCC(=O)O cc24e7113e17b9af505df7f7101cb7a7 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.90 Cc1c[nH]nc1OCC(=O)O da31ce49490721105eeaffd84bc82dde [0,1,0,0,0,0|3,0,0]=4 453 B11R1.90 Cc1conc1NCC(=O)O 1ced2ce6e5a04bc1c3b51dc203da776f [0,1,0,0,0,0|3,0,0]=4 454 B11R1.90 Cc1cscc1NCC(=O)O d6db02d32364ffb2e154f201e8ba82d0 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.90 Cc1n[nH]cc1NCC(=O)O 58453e7c39278345900477236d6f37dc [0,1,0,0,0,0|3,0,0]=4 456 B11R1.90 Cc1ncsc1NCC(=O)O 23a180e40897b7b0e9ce0b672a350c2a [0,1,0,0,0,0|2,0,1]=4 457 B11R1.90 Cc1nonc1NCC(=O)O efedef3232aa8f8f6e862957884deaba [0,1,0,0,0,0|2,0,1]=4 458 B11R1.90 Cc1sccc1NCC(=O)O 1fa638d96901099aa3bbfba5f1bed4d0 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.90 Cn1cccc1OCC(=O)O 2c2a3fabddbc43f29fb56431b18105f2 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.90 Cn1ccnc1NCC(=O)O d0a2924be5026b8cdc0a6a5a826dd13f [0,1,0,0,0,0|3,0,0]=4 461 B11R1.90 Cn1cncc1NCC(=O)O c217c06c9dea5e7c144b697dc3bdaec4 [0,1,0,0,0,0|1,0,2]=4 462 B11R1.90 Cn1ncnc1NCC(=O)O 718c19091960ab7c3a0ce2e6aa8be1a7 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.90 NC(=O)CNc1ncsc1Br bba45b92ab1ae10d28023d1be45104a0 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.90 NC(=O)CNc1no[nH]c1=O 06012c8455c08e19ebc470654b41ddd0 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.90 O=C(O)CNc1c[nH]nc1Br 6cecad5f130f68028367c0cb672293e4 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.90 O=C(O)CNc1c[nH]nc1Cl 783de8117c5ef7de60dd5d304ec0223e [0,1,0,0,0,0|3,0,0]=4 467 B11R1.90 O=C(O)CNc1cscc1Br 9d56000ba797fb03a03bfa2df52de9f3 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.90 O=C(O)CNc1n[nH]cc1Br 783bd1003b85502aed0e269a44a3a189 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.90 O=C(O)CNc1n[nH]cc1Cl 277cb4bc716a5a18abb2d356f9958f26 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.90 O=C(O)CNc1n[nH]cc1I f71f83d4d4ffc86cb99307706d409ede [0,1,0,0,0,0|3,0,0]=4 471 B11R1.90 O=C(O)CNc1no[nH]c1=O f1ae1b5bbd6486f919f8d5201145fc78 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.90 O=C(O)CNc1nocc1Br 51c00c1fec0849c9bff5b9bd6d9963d2 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.90 O=C(O)CNc1nocc1Cl 9effbbce2729fea8a631e6c9e07834d6 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.90 O=C(O)CNc1nsnc1Cl c2adfe3970e4d24c77018d743c969e4a [0,1,0,0,0,0|2,0,1]=4 475 B11R1.90 O=C(O)COc1nocc1Br 4f359929a1fa29432d62e7c20de12a7e [0,1,0,0,0,0|3,0,0]=4 476 B11R1.90 O=C(O)COc1nsnc1Cl e82d47b92e883d760a048baa9e9c6b75 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.510 CC(C)(O)CNc1c[nH]cn1 6318e0458745c1d5d374fef8c2c6af71 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.510 CC(C)(O)COc1c[nH]cn1 bd4b460d3c7b047bd6df3cbc6b3e7c8d [0,1,0,0,0,0|2,0,1]=4 479 B11R1.510 CS(=O)(=O)COc1c[nH]cn1 52e3078bc6432469c496fa0b4ed4bd8b [0,1,0,0,0,0|2,0,1]=4 480 B11R1.510 O=S(=O)(O)CNc1c[nH]cn1 627ee10c0ffb4d3308f49aee635f38ab [0,1,0,0,0,0|2,0,0]=3 481 B11R1.510 O=S(=O)(O)CNc1cscn1 81396f9eb72a1f7dd41c354378c91a9a [0,1,0,0,0,0|3,0,0]=4 482 B9R1.13 CC(=O)Nc1cocn1 4089e82890500e24c2afb0f19306f425 [0,0,0,0,1,0|3,0,0]=4 483 B9R1.13 CC(=O)Nc1cscn1 40e369b2af88cefbcc061c4b162a2ec0 [0,0,0,0,1,0|3,0,0]=4 484 B11R1.91 CC(=O)CNc1ccccn1 9ef5867d6e28a360f3e560522ae4c545 [0,0,0,0,0,1|3,0,0]=4 485 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,1|3,0,0]=4 486 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,1|3,0,0]=4 487 B11R1.91 CC(=O)CNc1ccncn1 4f817587489a7d067dc5afdf25fc5852 [0,0,0,0,0,1|2,0,1]=4 488 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,1|2,0,1]=4 489 B11R1.91 CC(=O)CNc1ncccn1 f18694e3a51e6ffd47e70f441daa4c05 [0,0,0,0,0,1|3,0,0]=4 490 B11R1.91 CC(=O)NCc1ccccn1 4a5e0ad0f6fb64ba7eb4726872bef1d0 [0,0,0,0,0,1|3,0,0]=4 491 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,1|3,0,0]=4 492 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,1|3,0,0]=4 493 B11R1.91 CC(=O)NCc1ccncn1 bb4e634dd2d2ac1df6c40895aef3c1f0 [0,0,0,0,0,1|2,0,1]=4 494 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,1|2,0,1]=4 495 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,1|2,0,1]=4 496 B11R1.91 CC(=O)NCc1ncccn1 7e583fa87c299d4a4eb199dfcfdc7c5d [0,0,0,0,0,1|3,0,0]=4 497 B11R1.91 NC(=O)CNc1ccccn1 034e479579804be1d3ad81d994fdfe8a [0,0,0,0,0,1|3,0,0]=4 498 B11R1.91 NC(=O)CNc1cccnc1 dbb72e205ac173bc25639603ebb9275b [0,0,0,0,0,1|3,0,0]=4 499 B11R1.91 NC(=O)CNc1cccnn1 60d31b38949fd2adfd2e2512960c8165 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.91 NC(=O)CNc1ccncn1 e7c35585e28129a25fc0a63199f4168e [0,0,0,0,0,1|2,0,1]=4 501 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,0,0,0,0,1|2,0,1]=4 502 B11R1.91 NC(=O)CNc1cncnc1 2027aa04b899d228b30b6b8f4597eebe [0,0,0,0,0,1|2,0,1]=4 503 B11R1.91 NC(=O)CNc1cncnn1 b686127c4978139b0ca2d4f2f9eac5cf [0,0,0,0,0,1|2,0,1]=4 504 B11R1.91 NC(=O)CNc1cnncn1 9726df4fa49464258610e4fec80d4742 [0,0,0,0,0,1|2,0,1]=4 505 B11R1.91 NC(=O)CNc1ncccn1 fb2c96e608ce23df2dad79eaa200f85a [0,0,0,0,0,1|3,0,0]=4 506 B11R1.91 NC(=O)CNc1ncncn1 d96286dc093522be7fa795abc1e1fca7 [0,0,0,0,0,1|2,0,1]=4 507 B11R1.91 NC(=O)COc1ccccn1 d34b1e4c40fb1accb7eddd79d84f9d95 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.91 NC(=O)COc1cccnc1 561263082ed3dec2740bd877b6a3be01 [0,0,0,0,0,1|3,0,0]=4 509 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,0,0,0,0,1|2,0,1]=4 510 B11R1.91 NC(=O)COc1cncnc1 ffe0016a63c39558be0c122ef0eaecca [0,0,0,0,0,1|2,0,1]=4 511 B11R1.91 NC(=O)COc1cncnn1 6f65e9d02dfea4fec1c44335f1c5bad1 [0,0,0,0,0,1|2,0,1]=4 512 B11R1.91 NC(=O)COc1ncccn1 e146ec7b3b1f1d100b10c6cf24414d9d [0,0,0,0,0,1|3,0,0]=4 513 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [0,0,0,0,0,1|3,0,0]=4 514 B11R1.91 O=C(O)CNc1ccccn1 83bad72d96578f6ee29657bf854abc17 [0,0,0,0,0,1|2,0,0]=3 515 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,0,0,0,0,1|2,0,0]=3 516 B11R1.91 O=C(O)CNc1cccnn1 cf291fb62c38c15687fe08b6cd38c97a [0,0,0,0,0,1|2,0,0]=3 517 B11R1.91 O=C(O)CNc1ccncc1 d2ec8efae842007114d587a1ec71d62f [0,0,0,0,0,1|2,0,1]=4 518 B11R1.91 O=C(O)CNc1ccncn1 5a4b1659c5de5be20531a3f783e4b5de [0,0,0,0,0,1|1,0,1]=3 519 B11R1.91 O=C(O)CNc1ccnnc1 c99b746e992a4e9e6f7e039e52c1a5ec [0,0,0,0,0,1|2,0,1]=4 520 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,0,0,0,0,1|1,0,1]=3 521 B11R1.91 O=C(O)CNc1cncnc1 c77aa544ab79efbf2bcf36fb4eef07df [0,0,0,0,0,1|1,0,1]=3 522 B11R1.91 O=C(O)CNc1cnncn1 656f91866ba89d759783ad01285d9323 [0,0,0,0,0,1|1,0,1]=3 523 B11R1.91 O=C(O)CNc1ncccn1 47fccdac66ef6f51dcf572a9fead2165 [0,0,0,0,0,1|2,0,0]=3 524 B11R1.91 O=C(O)CNc1nccnn1 68de0936d2dfae14cdb757590d441dba [0,0,0,0,0,1|2,0,1]=4 525 B11R1.91 O=C(O)CNc1ncncn1 c8e30a9039355bdb4c7c01c4e4c31d42 [0,0,0,0,0,1|1,0,1]=3 526 B11R1.91 O=C(O)COc1ccccn1 d10c5c7e1100e6f68973343e5e477bed [0,0,0,0,0,1|2,0,0]=3 527 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,0,0,0,0,1|2,0,0]=3 528 B11R1.91 O=C(O)COc1ccncc1 b0acb3702ddf8b44733ab3e3ff47483a [0,0,0,0,0,1|2,0,1]=4 529 B11R1.91 O=C(O)COc1ccnnc1 1b95f97209e3f2855770ca42cf783b1d [0,0,0,0,0,1|2,0,1]=4 530 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [0,0,0,0,0,1|1,0,1]=3 531 B11R1.91 O=C(O)COc1cncnc1 be0d64e31690cc63b2fb9036513a8b31 [0,0,0,0,0,1|1,0,1]=3 532 B11R1.91 O=C(O)COc1cncnn1 f7236ae5d9b791665330b19e8512ec40 [0,0,0,0,0,1|1,0,1]=3 533 B11R1.91 O=C(O)COc1ncccn1 4bfa5c4a896907981ada0a0fb57d9225 [0,0,0,0,0,1|2,0,0]=3 534 B11R1.172 C/C(=C/COc1c[nH]cn1)/I 78ffb4c4b493b120a833590f418e4c32 [0,0,0,0,0,1|2,0,1]=4 535 B11R1.172 C/C(=C\COc1c[nH]cn1)/Cl dde4ca5bd5a1d72feb7e553da6da8a40 [0,0,0,0,0,1|2,0,1]=4 536 B11R1.172 C=C(Br)CNCc1c[nH]nn1 c095670f9f17cd52012671cbd283a904 [0,0,0,0,0,1|3,0,0]=4 537 B11R1.172 C=C(Br)CNCc1cc[nH]c1 d2410d36edbab83e9743d2ee9a3228f6 [0,0,0,0,0,1|3,0,0]=4 538 B11R1.172 C=C(Br)CNCc1cocn1 8e8dc243f5e2144e16392c9c11f7b503 [0,0,0,0,0,1|3,0,0]=4 539 B11R1.172 C=C(Br)CNCc1cscn1 ad0e3b61e3dc52405471e51b92d80fac [0,0,0,0,0,1|3,0,0]=4 540 B11R1.172 C=C(Br)COCc1cc[nH]c1 a25c5f45cca80228a2c53d0c89ba2d96 [0,0,0,0,0,1|3,0,0]=4 541 B11R1.172 C=C(Br)COCc1cocn1 341ce013ae6b31bc0c72e6d1e7ddb53c [0,0,0,0,0,1|3,0,0]=4 542 B11R1.172 C=C(Br)COCc1cscn1 5c1ce0ef65037b583359e5655f44fb7f [0,0,0,0,0,1|3,0,0]=4 543 B11R1.172 C=C(Br)COCc1nc[nH]n1 5aa866d2f76bd0fdf1496a8a772348ea [0,0,0,0,0,1|3,0,0]=4 544 B11R1.172 C=C(C)CCNc1c[nH]cn1 849283e3f26224ab91de6d344bf3e469 [0,0,0,0,0,1|2,0,0]=3 545 B11R1.172 C=C(C)CCNc1cscn1 c48334e7b07ead235f556f1297132cba [0,0,0,0,0,1|3,0,0]=4 546 B11R1.172 C=C(C)CCNc1nc[nH]n1 b1f008e07cf313a7f457667e259b702d [0,0,0,0,0,1|3,0,0]=4 547 B11R1.172 C=C(C)CCOc1c[nH]cn1 470e19f38e69ac261b0582927ab34edd [0,0,0,0,0,1|2,0,0]=3 548 B11R1.172 C=C(C)CNCc1c[nH]nn1 3137dcc780975994bebc5b9f19d024f1 [0,0,0,0,0,1|3,0,0]=4 549 B11R1.172 C=C(C)CNCc1cc[nH]c1 50f2aa4e3c39a54dd13e762971262f6d [0,0,0,0,0,1|3,0,0]=4 550 B11R1.172 C=C(C)CNCc1cocn1 af54ee321741c53920837d351adf9e58 [0,0,0,0,0,1|3,0,0]=4 551 B11R1.172 C=C(C)CNCc1cscn1 4ad540f3a947767068a882aaaf78a231 [0,0,0,0,0,1|3,0,0]=4 552 B11R1.172 C=C(C)COCc1cc[nH]c1 61d39546d4dd213878c11941a46e8520 [0,0,0,0,0,1|3,0,0]=4 553 B11R1.172 C=C(C)COCc1cocn1 b2a42310785b919199ea33315d0ce3e3 [0,0,0,0,0,1|3,0,0]=4 554 B11R1.172 C=C(C)COCc1cscn1 327b550de8b63d931c25c5dedf369d7f [0,0,0,0,0,1|3,0,0]=4 555 B11R1.172 C=C(C)COCc1nc[nH]n1 c16a672be4812b96d41dfdc2ebdb889f [0,0,0,0,0,1|3,0,0]=4 556 B11R1.172 C=C(Cl)CNCc1c[nH]nn1 b82cc666f7ce760a8863498946f2b816 [0,0,0,0,0,1|3,0,0]=4 557 B11R1.172 C=C(Cl)CNCc1cc[nH]c1 3dee9094d6ff44bfe2c96246dc6481c8 [0,0,0,0,0,1|3,0,0]=4 558 B11R1.172 C=C(Cl)CNCc1cscn1 29b79c9cd341af5cf7d9325165bd9d12 [0,0,0,0,0,1|3,0,0]=4 559 B11R1.172 C=C(Cl)COCc1cc[nH]c1 36f61796f83b78e5ecc792ea71e2d44d [0,0,0,0,0,1|3,0,0]=4 560 B11R1.172 C=C(Cl)COCc1cocn1 56d4c5b54198d20a88575a0a44e78412 [0,0,0,0,0,1|3,0,0]=4 561 B11R1.172 C=C(Cl)COCc1cscn1 94fdd6b2908eb91149811f7682a1e0b3 [0,0,0,0,0,1|3,0,0]=4 562 B11R1.172 C=C(Cl)COCc1nc[nH]n1 11a68f273a96e01daf467247571cca06 [0,0,0,0,0,1|3,0,0]=4 563 B11R1.172 C=C(F)CNCc1c[nH]nn1 0fe13a8f5f30c5efec46ef24c0956c80 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.172 C=C(F)CNCc1cc[nH]c1 c8059dbfe740cd9ce581c227c0dc6f66 [0,0,0,0,0,1|3,0,0]=4 565 B11R1.172 C=C(F)CNCc1cscn1 1e0d95e62e61256eb34f93fc7b1ff5d4 [0,0,0,0,0,1|3,0,0]=4 566 B11R1.172 C=C(F)COCc1cc[nH]c1 0ce97f5dd6826f31bfa1158a50f97525 [0,0,0,0,0,1|3,0,0]=4 567 B11R1.172 C=C(F)COCc1cocn1 3636abee4cc9401214bd85aed3b4f4cb [0,0,0,0,0,1|3,0,0]=4 568 B11R1.172 C=C(F)COCc1cscn1 c9972094c899a859ed633f77e1de0cbc [0,0,0,0,0,1|3,0,0]=4 569 B11R1.172 C=C(F)COCc1nc[nH]n1 92d9d1cd3057bdc921996acea84a6061 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.172 C=C(I)COCc1cocn1 d3da7b573ef8fc18b0de5d905c8dbc66 [0,0,0,0,0,1|3,0,0]=4 571 B11R1.172 C=C(I)COCc1cscn1 443c13f611fcad56e0812f72e56e19e0 [0,0,0,0,0,1|3,0,0]=4 572 B11R1.172 C=C(I)COCc1nc[nH]n1 7e02a4a1e3d08b76b613889d42848a88 [0,0,0,0,0,1|3,0,0]=4 573 B11R1.172 CC(=CCNc1c[nH]cn1)C 407ffa674f3acd9b2e06db8d42f8d438 [0,0,0,0,0,1|2,0,1]=4 574 B11R1.172 CC(=CCOc1c[nH]cn1)C 8be043cf63f7f9e3cf44a5696811b559 [0,0,0,0,0,1|2,0,1]=4 575 B11R1.172 CC(=CCOc1c[nH]cn1)Cl 44b079ff6186ee90fd43eb3c8632151d [0,0,0,0,0,1|2,0,1]=4 576 B11R1.172 CC(=CCOc1c[nH]cn1)I c4ba7758be36f7dc878abda7ecdfea99 [0,0,0,0,0,1|2,0,1]=4 577 B11R1.172 CC(=O)CCNc1cc[nH]n1 883daeb3188304b9d7044762105d7937 [0,0,0,0,0,1|3,0,0]=4 578 B11R1.172 CC(=O)CCNc1cccs1 3705e6b236dd0e242edc581b5639fa6d [0,0,0,0,0,1|3,0,0]=4 579 B11R1.172 CC(=O)CCNc1ccon1 fa2bb5bb8d68fa453bbdefdb1d759682 [0,0,0,0,0,1|3,0,0]=4 580 B11R1.172 CC(=O)CCNc1ccsc1 651e0759f022e69c9736f48a37d6dc91 [0,0,0,0,0,1|3,0,0]=4 581 B11R1.172 CC(=O)CCNc1cn[nH]c1 7d66f6ede45a2af16504ad668ffaf96f [0,0,0,0,0,1|3,0,0]=4 582 B11R1.172 CC(=O)CCNc1cncs1 bce7d96e9d22cce9e72ec22be1ef03a0 [0,0,0,0,0,1|2,0,1]=4 583 B11R1.172 CC(=O)CCNc1cnon1 63cc17715a6cefa6fb84f965e21a3d90 [0,0,0,0,0,1|2,0,1]=4 584 B11R1.172 CC(=O)CCNc1cocn1 f4edda95f1039e89d30a273f43e079c6 [0,0,0,0,0,1|2,0,0]=3 585 B11R1.172 CC(=O)CCNc1cscn1 bae0a140e53827c0132f1292745b570f [0,0,0,0,0,1|2,0,0]=3 586 B11R1.172 CC(=O)CCNc1nc[nH]n1 658f33e9672980f1f6cbb85d83bd982e [0,0,0,0,0,1|2,0,0]=3 587 B11R1.172 CC(=O)CCNc1ncc[nH]1 f62fc8122f45927eb0ccc652b7a4c5b1 [0,0,0,0,0,1|3,0,0]=4 588 B11R1.172 CC(=O)CCNc1ncco1 6db9a64456f72643bc08fa8bb5731698 [0,0,0,0,0,1|3,0,0]=4 589 B11R1.172 CC(=O)CCNc1nccs1 3d5d28b8f113842ebbf2ec44dd1bf59f [0,0,0,0,0,1|3,0,0]=4 590 B11R1.172 CC(=O)CCNc1ncns1 867e7fa39fd0e3b4438f7c5090c86799 [0,0,0,0,0,1|2,0,1]=4 591 B11R1.172 CC(=O)CCNc1ncon1 25e1bc32b260c787b63c837184643bc3 [0,0,0,0,0,1|3,0,0]=4 592 B11R1.172 CC(=O)CCNc1ncsn1 485a676941c1e855a62576fa76833a9b [0,0,0,0,0,1|3,0,0]=4 593 B11R1.172 CC(=O)CCNc1nn[nH]n1 4f159a903fffbe3ae192cac3a35398d8 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.172 CC(=O)CCOc1c[nH]cn1 5a2c247b0e6ea2d9a0d6482af004727a [0,0,0,0,0,1|1,0,0]=2 595 B11R1.172 CC(=O)CCOc1ccco1 1304331aa569973df701f4c541cd36f9 [0,0,0,0,0,1|3,0,0]=4 596 B11R1.172 CC(=O)CCOc1cccs1 b63fa1eb430f81b21edb5306b25d0cdb [0,0,0,0,0,1|3,0,0]=4 597 B11R1.172 CC(=O)CCOc1ccsc1 fee7f80d39017e359bb48461fa26983e [0,0,0,0,0,1|3,0,0]=4 598 B11R1.172 CC(=O)CCOc1cn[nH]c1 dab2bbadeeffff63c50657b5bf5975d2 [0,0,0,0,0,1|3,0,0]=4 599 B11R1.172 CC(=O)CCOc1cnsn1 3e7bbc5621e61df60e7aed79df56ac6e [0,0,0,0,0,1|2,0,1]=4 600 B11R1.172 CC(=O)CCOc1nccs1 cf08ec43f863de4c460f793b78c9f67a [0,0,0,0,0,1|3,0,0]=4 601 B11R1.172 CC(=O)CCOn1cccn1 97b5dcdee09e1afa32f5e7b00efd9045 [0,0,0,0,0,1|3,0,0]=4 602 B11R1.172 CC(=O)CNCc1ccco1 5349a004945f22466223fdea062b1a26 [0,0,0,0,0,1|3,0,0]=4 603 B11R1.172 CC(=O)CNCc1cccs1 b1e4a802d58216630369ed1cb1193c6c [0,0,0,0,0,1|3,0,0]=4 604 B11R1.172 CC(=O)CNCc1ccon1 23626df2e39d6d34262af4f6b23b9170 [0,0,0,0,0,1|3,0,0]=4 605 B11R1.172 CC(=O)CNCc1ccsc1 16ff0b76a99c7d3314b4299765d3106e [0,0,0,0,0,1|3,0,0]=4 606 B11R1.172 CC(=O)CNCc1cnc[nH]1 7961c596f66c2db5f4c710df2da78fd9 [0,0,0,0,0,1|1,0,2]=4 607 B11R1.172 CC(=O)CNCc1cnco1 99f78d679b27a44216bef491e144dcce [0,0,0,0,0,1|2,0,1]=4 608 B11R1.172 CC(=O)CNCc1cocn1 5a325c13f3d51587b1011738e379fe43 [0,0,0,0,0,1|2,0,0]=3 609 B11R1.172 CC(=O)CNCc1cscn1 50abab540491be2882a1c0a0909785fd [0,0,0,0,0,1|2,0,0]=3 610 B11R1.172 CC(=O)CNCc1nc[nH]n1 81c6a86f409b416be1f8ea1bf52a0b80 [0,0,0,0,0,1|2,0,0]=3 611 B11R1.172 CC(=O)CNCc1ncc[nH]1 778742788fb1ab1bab5ccf4fe2a0da32 [0,0,0,0,0,1|3,0,0]=4 612 B11R1.172 CC(=O)CNCc1ncco1 08548bfba2487e3629cbfdeac38ddfed [0,0,0,0,0,1|3,0,0]=4 613 B11R1.172 CC(=O)CNCc1nccs1 a8747eb331576143633e408625f188a4 [0,0,0,0,0,1|3,0,0]=4 614 B11R1.172 CC(=O)CNCc1ncno1 83bb31529ce46ee4ded2789dbac5f2aa [0,0,0,0,0,1|2,0,1]=4 615 B11R1.172 CC(=O)CNCc1ncon1 3de623be577aab81a1ec9c60abb5646c [0,0,0,0,0,1|3,0,0]=4 616 B11R1.172 CC(=O)CNCn1cncn1 106e1be9a757ec363fd492b463e2128a [0,0,0,0,0,1|2,0,1]=4 617 B11R1.172 CC(=O)COCc1ccco1 eb376918d478215b7784a307211ac4b9 [0,0,0,0,0,1|3,0,0]=4 618 B11R1.172 CC(=O)COCc1cccs1 230c5eb2cad29c6e94ed984c95bb8914 [0,0,0,0,0,1|3,0,0]=4 619 B11R1.172 CC(=O)COCc1ccon1 9e19981729836118dd19c0826084c66d [0,0,0,0,0,1|3,0,0]=4 620 B11R1.172 CC(=O)COCc1ccsc1 78bf80be00349b2116046f3effe94e73 [0,0,0,0,0,1|3,0,0]=4 621 B11R1.172 CC(=O)COCc1cnc[nH]1 8cf8a4d7b712ee5ea9cd56a3720c3ebf [0,0,0,0,0,1|1,0,2]=4 622 B11R1.172 CC(=O)COCc1cocn1 1dc479cb33ceaf076f3723d82bb37f46 [0,0,0,0,0,1|2,0,0]=3 623 B11R1.172 CC(=O)COCc1cscn1 19a63737f28646eb23fa503a4700b862 [0,0,0,0,0,1|2,0,0]=3 624 B11R1.172 CC(=O)COCc1nc[nH]n1 67206ef46f3011cc5fd571ae58cd4fb2 [0,0,0,0,0,1|2,0,0]=3 625 B11R1.172 CC(=O)COCc1ncc[nH]1 63019179786ec8451185c7af212d962c [0,0,0,0,0,1|3,0,0]=4 626 B11R1.172 CC(=O)COCc1ncco1 6392edc6fd8ff743b74fd77ae0ebc6d1 [0,0,0,0,0,1|3,0,0]=4 627 B11R1.172 CC(=O)COCc1nccs1 f6b227f8e0531f674da6013bb44fdfb1 [0,0,0,0,0,1|3,0,0]=4 628 B11R1.172 CC(=O)COCc1ncno1 1d52bc01789c9da548e7c29e4041ef4d [0,0,0,0,0,1|2,0,1]=4 629 B11R1.172 CC(=O)COCc1ncon1 4c7449d2a7469e8fd6d60f010e6872f0 [0,0,0,0,0,1|3,0,0]=4 630 B11R1.172 CC(=O)COCn1cncn1 379fdad34f424ea03b90faf48e16283d [0,0,0,0,0,1|2,0,1]=4 631 B11R1.172 CC(=O)NCCc1ccco1 f97fcd1be9cacf4675351753b4b97ccf [0,0,0,0,0,1|3,0,0]=4 632 B11R1.172 CC(=O)NCCc1cccs1 b2bccd28809b44ec5e70798b6aa4c45f [0,0,0,0,0,1|3,0,0]=4 633 B11R1.172 CC(=O)NCCc1ccsc1 10819fa3dfc260c6efcff456e5254d1c [0,0,0,0,0,1|3,0,0]=4 634 B11R1.172 CC(=O)NCCc1cscn1 5a0e906e9ec17b0b664a4310d6205079 [0,0,0,0,0,1|2,0,0]=3 635 B11R1.172 CC(=O)NCCc1nccs1 e199f90e06fe8a9fa8ec6cff53ae1078 [0,0,0,0,0,1|3,0,0]=4 636 B11R1.172 CC(=O)NCCn1cccn1 09d1495aa7ae7b34ce16de2f3bc9823f [0,0,0,0,0,1|3,0,0]=4 637 B11R1.172 CC(=O)NCCn1cncn1 6b25a91e7f42d6ef33a09467890b4c75 [0,0,0,0,0,1|2,0,1]=4 638 B11R1.172 CC(=O)OCNc1cocn1 dd521c2131d3bdac6bae185b11c989b6 [0,0,0,0,0,1|3,0,0]=4 639 B11R1.172 CC(=O)OCNc1cscn1 c1fe35d7a3b6c55d0700de45dfb1de72 [0,0,0,0,0,1|3,0,0]=4 640 B11R1.172 CC(=O)OCNc1nc[nH]n1 a636bab26ad996f00d2fbda17d77cc23 [0,0,0,0,0,1|3,0,0]=4 641 B11R1.172 CC(=O)OCOc1c[nH]cn1 77ad85680c2a23ead707f1ef692fee0a [0,0,0,0,0,1|2,0,0]=3 642 B11R1.172 CC(C)CCNc1c[nH]cn1 7ae04c4a3f44fe3217857895da9d7971 [0,0,0,0,0,1|2,0,1]=4 643 B11R1.172 CC(C)CCOc1c[nH]cn1 9e5c4f69ca08c5d42944d2ec9516f86a [0,0,0,0,0,1|2,0,1]=4 644 B11R1.172 CC(C)NCCc1c[nH]cn1 d9b1093684083398f09b2bcc7c136d3f [0,0,0,0,0,1|2,0,1]=4 645 B11R1.172 CC(C)OCCc1c[nH]cn1 afa4852823a31685051d73ac8913effc [0,0,0,0,0,1|2,0,1]=4 646 B11R1.172 CC(O)CCNc1c[nH]cn1 420677d5e03666f5f5886d01fd8d5405 [0,0,0,0,0,1|1,0,1]=3 647 B11R1.172 CC(O)CCNc1cocn1 4811f2222d89ffc6f30ac3d23f242013 [0,0,0,0,0,1|2,0,1]=4 648 B11R1.172 CC(O)CCNc1cscn1 32a553a374a6fff602fb49a2c61b5179 [0,0,0,0,0,1|2,0,1]=4 649 B11R1.172 CC(O)CCNc1nc[nH]n1 b04e37c3745474e87c0f2e8fb39dc6c1 [0,0,0,0,0,1|2,0,1]=4 650 B11R1.172 CC(O)CNCc1c[nH]nn1 fc70ebbb1f874722b00617ef7cb19618 [0,0,0,0,0,1|2,0,1]=4 651 B11R1.172 CC(O)CNCc1cc[nH]c1 9f9b0963ff0e2429adb0240f34bc16dd [0,0,0,0,0,1|2,0,1]=4 652 B11R1.172 CC(O)CNCc1cocn1 540d218358fee8bbb7f5b5ad84d4bbb9 [0,0,0,0,0,1|2,0,1]=4 653 B11R1.172 CC(O)CNCc1cscn1 983fb73c856436dc88022f74b701410d [0,0,0,0,0,1|2,0,1]=4 654 B11R1.172 CN(C)CCNc1c[nH]cn1 15780488e3445645dd2ff3ad3a09befa [0,0,0,0,0,1|3,0,0]=4 655 B11R1.172 CN(C)CCOc1c[nH]cn1 5fab8822a420cb1df5dea09ea55a40ca [0,0,0,0,0,1|3,0,0]=4 656 B11R1.172 CS(=O)CCNc1c[nH]cn1 9ffe291fe5ad6adf3800bcadbb74d5dc [0,0,0,0,0,1|2,0,0]=3 657 B11R1.172 CS(=O)CCNc1c[nH]nn1 4861fdadf293ecf30582ecd5ff851bd0 [0,0,0,0,0,1|3,0,0]=4 658 B11R1.172 CS(=O)CCNc1cocn1 789a92317fe457bded899c874d5944ce [0,0,0,0,0,1|3,0,0]=4 659 B11R1.172 CS(=O)CCNc1cscn1 520b15dd2b340909ea38c3341f89a255 [0,0,0,0,0,1|3,0,0]=4 660 B11R1.172 CS(=O)CCNc1nc[nH]n1 78d83807794ea332bc05d99464ed663e [0,0,0,0,0,1|3,0,0]=4 661 B11R1.172 CS(=O)CCOc1c[nH]cn1 ff5cd75ccd19e6e16dbe28e4c495b386 [0,0,0,0,0,1|2,0,0]=3 662 B11R1.172 C[C@@H](O)CCNc1c[nH]cn1 aa5a03ac4bbb4ba849f275222810d984 [0,0,0,0,0,1|1,0,1]=3 663 B11R1.172 C[C@@H](O)CNCc1c[nH]nn1 499f8b087ab85c4b0e2ec810d87b85ae [0,0,0,0,0,1|2,0,1]=4 664 B11R1.172 C[C@@H](O)CNCc1cc[nH]c1 0e203e4cf1ed106d736b7c5367ffc968 [0,0,0,0,0,1|2,0,1]=4 665 B11R1.172 C[C@@H](O)CNCc1cocn1 ff71dd68cfd9a9552261ea8cc0a9bac1 [0,0,0,0,0,1|2,0,1]=4 666 B11R1.172 C[C@@H](O)CNCc1cscn1 a11fbdc0d638a611d7546fc3884fea8d [0,0,0,0,0,1|2,0,1]=4 667 B11R1.172 C[C@@H](O)CNCc1nc[nH]n1 e10199c76a6ed8e3bd347c6053f7656d [0,0,0,0,0,1|2,0,1]=4 668 B11R1.172 C[C@H](O)CCNc1c[nH]cn1 4b2cf3b78b6c5abfe10eb6cc1cd44283 [0,0,0,0,0,1|1,0,1]=3 669 B11R1.172 C[C@H](O)CNCc1c[nH]nn1 29b848ffb990a9236872aa0f3b49cd2d [0,0,0,0,0,1|2,0,1]=4 670 B11R1.172 C[C@H](O)CNCc1cc[nH]c1 ef1e595646e0c92a9a0a3d806106769d [0,0,0,0,0,1|2,0,1]=4 671 B11R1.172 C[C@H](O)CNCc1cocn1 7fbe50fa95887426e3b98286485eae3e [0,0,0,0,0,1|2,0,1]=4 672 B11R1.172 C[C@H](O)CNCc1cscn1 b22d1deab7bf852cc79666a4562bcce1 [0,0,0,0,0,1|2,0,1]=4 673 B11R1.172 ClC(=CCOc1c[nH]cn1)Cl dca27b6a140ead4c6e35ff4ece9241f3 [0,0,0,0,0,1|2,0,1]=4 674 B11R1.172 FC(F)CCNc1c[nH]cn1 dd9098ec9822f13b2a9d32a81160b348 [0,0,0,0,0,1|2,0,1]=4 675 B11R1.172 NC(=O)CCNc1c[nH]cn1 87cc850012210008152c1d1fa6a89217 [0,0,0,0,0,1|1,0,0]=2 676 B11R1.172 NC(=O)CCNc1cc[nH]n1 120b1f94ca5232186755defeb1f2bb32 [0,0,0,0,0,1|3,0,0]=4 677 B11R1.172 NC(=O)CCNc1ccco1 ab32532f1c3dbe5d91a357acfbdf218d [0,0,0,0,0,1|3,0,0]=4 678 B11R1.172 NC(=O)CCNc1cccs1 4c3df2dedde37ddbd71ba489063312db [0,0,0,0,0,1|3,0,0]=4 679 B11R1.172 NC(=O)CCNc1ccoc1 b19d32acf9aacc9ac65e6863931ef115 [0,0,0,0,0,1|3,0,0]=4 680 B11R1.172 NC(=O)CCNc1ccon1 a2ee9497ed536342c87cd90e4168ade0 [0,0,0,0,0,1|3,0,0]=4 681 B11R1.172 NC(=O)CCNc1ccsc1 2b64f9bd9da762fde0b18ea9a1f9a1c9 [0,0,0,0,0,1|3,0,0]=4 682 B11R1.172 NC(=O)CCNc1cn[nH]c1 f39cee0a1a86f9865f0b461e4cfe1442 [0,0,0,0,0,1|3,0,0]=4 683 B11R1.172 NC(=O)CCNc1cncs1 cf1ac68a0afa68d08598eff58b52a383 [0,0,0,0,0,1|2,0,1]=4 684 B11R1.172 NC(=O)CCNc1cnon1 64de9b741d06f26dbf4919d99002b8aa [0,0,0,0,0,1|2,0,1]=4 685 B11R1.172 NC(=O)CCNc1cnsn1 86e4e7cc5688ffa106fc7f5f77a791b2 [0,0,0,0,0,1|2,0,1]=4 686 B11R1.172 NC(=O)CCNc1cocn1 149b0df3a03d3b93ab08bcd991851019 [0,0,0,0,0,1|2,0,0]=3 687 B11R1.172 NC(=O)CCNc1cscn1 d29f27d3eb8c061dadd7b3e69419608b [0,0,0,0,0,1|2,0,0]=3 688 B11R1.172 NC(=O)CCNc1nc[nH]n1 b3c5db7b6d53fc385d98bd0884c52c94 [0,0,0,0,0,1|2,0,0]=3 689 B11R1.172 NC(=O)CCNc1ncc[nH]1 9cd735a83fcac5ea943edc48f7a8b375 [0,0,0,0,0,1|3,0,0]=4 690 B11R1.172 NC(=O)CCNc1ncco1 c57de53ae0c567e6c73e34084a704dbb [0,0,0,0,0,1|3,0,0]=4 691 B11R1.172 NC(=O)CCNc1nccs1 67295b7cbbd20981e4121db118007024 [0,0,0,0,0,1|3,0,0]=4 692 B11R1.172 NC(=O)CCNc1ncns1 cfe8721c229a278ad2a63a223a4c3c29 [0,0,0,0,0,1|2,0,1]=4 693 B11R1.172 NC(=O)CCNc1ncon1 785ad763ec866ff63ee88c977041dbe0 [0,0,0,0,0,1|3,0,0]=4 694 B11R1.172 NC(=O)CCNc1ncsn1 cb6dcbab6e3316eaa32981e44b98591f [0,0,0,0,0,1|3,0,0]=4 695 B11R1.172 NC(=O)CCNc1nn[nH]n1 f21ebd11b01b0d21ba9306e74b5a2b75 [0,0,0,0,0,1|3,0,0]=4 696 B11R1.172 NC(=O)CCOc1c[nH]cn1 5f9be08c8256a22682fe9ab499d7c47f [0,0,0,0,0,1|1,0,0]=2 697 B11R1.172 NC(=O)CCOc1ccco1 62568bce3153cbd2dbe9e7f3e41fdb78 [0,0,0,0,0,1|3,0,0]=4 698 B11R1.172 NC(=O)CCOc1cccs1 abb566272552117d2cc0a0d6c3db031e [0,0,0,0,0,1|3,0,0]=4 699 B11R1.172 NC(=O)CCOc1ccsc1 b9de318cfd23f1b320795007d177dc4c [0,0,0,0,0,1|3,0,0]=4 700 B11R1.172 NC(=O)CCOc1cn[nH]c1 6be5677a51b93ed080b24b53f6869b59 [0,0,0,0,0,1|3,0,0]=4 701 B11R1.172 NC(=O)CCOc1cnsn1 37bd80c37b125f0cd1f584be70fa50d4 [0,0,0,0,0,1|2,0,1]=4 702 B11R1.172 NC(=O)CCOc1nccs1 38417c48cfdcc12f4df665d7d1698b0a [0,0,0,0,0,1|3,0,0]=4 703 B11R1.172 NC(=O)CCOn1cccn1 248b046eb2a3fedee4a09e94d70a2c54 [0,0,0,0,0,1|3,0,0]=4 704 B11R1.172 NC(=O)CNCc1c[nH]nn1 aab20b4904bee03865be11094a499bac [0,0,0,0,0,1|2,0,0]=3 705 B11R1.172 NC(=O)CNCc1cc[nH]c1 7945772b7a5e5e854c45247c250e536f [0,0,0,0,0,1|2,0,0]=3 706 B11R1.172 NC(=O)CNCc1ccc[nH]1 4d885322b19f56ef9a7adef5ac07e13a [0,0,0,0,0,1|2,0,1]=4 707 B11R1.172 NC(=O)CNCc1ccco1 66bbe09b4a4fd1abe2eabcc09ff61502 [0,0,0,0,0,1|3,0,0]=4 708 B11R1.172 NC(=O)CNCc1cccs1 ff189ba2aaf7a428fabbec9788965050 [0,0,0,0,0,1|3,0,0]=4 709 B11R1.172 NC(=O)CNCc1ccoc1 256d58c7ab82261cb95882113c3b7653 [0,0,0,0,0,1|3,0,0]=4 710 B11R1.172 NC(=O)CNCc1ccon1 ebd40fde4312a3f57bfd6c38019b1c61 [0,0,0,0,0,1|3,0,0]=4 711 B11R1.172 NC(=O)CNCc1ccsc1 99cbc824a6d261eb4ceebc19aaed53d4 [0,0,0,0,0,1|3,0,0]=4 712 B11R1.172 NC(=O)CNCc1ccsn1 d1d738691594fc0dc3b6fe1453ec0d23 [0,0,0,0,0,1|3,0,0]=4 713 B11R1.172 NC(=O)CNCc1cn[nH]c1 4cf0a01615145b35a52faa9ab137d5e1 [0,0,0,0,0,1|3,0,0]=4 714 B11R1.172 NC(=O)CNCc1cnc[nH]1 48ebb8d4ccef50f5fbcb5149ea1678c8 [0,0,0,0,0,1|1,0,2]=4 715 B11R1.172 NC(=O)CNCc1cnco1 79b996ea014dc992e10e1bffe38c4d1b [0,0,0,0,0,1|2,0,1]=4 716 B11R1.172 NC(=O)CNCc1cncs1 0df549936f45bdf50675630446650edc [0,0,0,0,0,1|2,0,1]=4 717 B11R1.172 NC(=O)CNCc1cocn1 8f4fcccb843d37ff3762b1cf3e5f53f3 [0,0,0,0,0,1|2,0,0]=3 718 B11R1.172 NC(=O)CNCc1cscn1 c6eb2c365fc2865cb9451a1a0f248df2 [0,0,0,0,0,1|2,0,0]=3 719 B11R1.172 NC(=O)CNCc1ncc[nH]1 7f36d8b36650c81d8b3e2938f70b7565 [0,0,0,0,0,1|3,0,0]=4 720 B11R1.172 NC(=O)CNCc1ncco1 b21d6713df6f65ea5d089e9d1a3132df [0,0,0,0,0,1|3,0,0]=4 721 B11R1.172 NC(=O)CNCc1nccs1 5087e87bce0b3d3f53f76f484efc7fbd [0,0,0,0,0,1|3,0,0]=4 722 B11R1.172 NC(=O)CNCc1ncn[nH]1 e0774bb0793103aecf92d43a17c083b7 [0,0,0,0,0,1|2,0,1]=4 723 B11R1.172 NC(=O)CNCc1ncno1 b83d50e4239c0149354ab55a08aecfb7 [0,0,0,0,0,1|2,0,1]=4 724 B11R1.172 NC(=O)CNCc1ncon1 8f088d4272cc33219c67719cdc899486 [0,0,0,0,0,1|3,0,0]=4 725 B11R1.172 NC(=O)CNCn1cncn1 1997a94869b487f68819190206a0e2f2 [0,0,0,0,0,1|2,0,1]=4 726 B11R1.172 NC(=O)COCc1cc[nH]c1 ca9a17aa36d73f55106881bb289d5442 [0,0,0,0,0,1|2,0,0]=3 727 B11R1.172 NC(=O)COCc1ccc[nH]1 b6e75ef9e7be437d4d16b0504d02f6b9 [0,0,0,0,0,1|2,0,1]=4 728 B11R1.172 NC(=O)COCc1ccco1 23772c88c899aa3b4db4adceab3b722e [0,0,0,0,0,1|3,0,0]=4 729 B11R1.172 NC(=O)COCc1cccs1 82a49a500242b4259e12addce264b1e6 [0,0,0,0,0,1|3,0,0]=4 730 B11R1.172 NC(=O)COCc1ccoc1 10de63caf496e53994b2dd289b010c4f [0,0,0,0,0,1|3,0,0]=4 731 B11R1.172 NC(=O)COCc1ccon1 e1caa2fb5304f52b7732ee0b78864aab [0,0,0,0,0,1|3,0,0]=4 732 B11R1.172 NC(=O)COCc1ccsc1 3d23985dfc1690127b9f0f1b1c7fa999 [0,0,0,0,0,1|3,0,0]=4 733 B11R1.172 NC(=O)COCc1ccsn1 9a32a472934d8c125eb35892e886eb0f [0,0,0,0,0,1|3,0,0]=4 734 B11R1.172 NC(=O)COCc1cn[nH]c1 fae0876fff1f301dea2c47c43eb6af4c [0,0,0,0,0,1|3,0,0]=4 735 B11R1.172 NC(=O)COCc1cnc[nH]1 cd69702e779d05191239ab55fe479ed9 [0,0,0,0,0,1|1,0,2]=4 736 B11R1.172 NC(=O)COCc1cnco1 a85d625518924ef7da0254fd9f9fcb67 [0,0,0,0,0,1|2,0,1]=4 737 B11R1.172 NC(=O)COCc1cncs1 ea444cb5c527fa97fe1d8b99991e0c04 [0,0,0,0,0,1|2,0,1]=4 738 B11R1.172 NC(=O)COCc1cnsn1 314c424c7c7cf745a0b4a48f6adc4d10 [0,0,0,0,0,1|2,0,1]=4 739 B11R1.172 NC(=O)COCc1cocn1 346ed68517b24cb7ad6c65717dcb18bb [0,0,0,0,0,1|2,0,0]=3 740 B11R1.172 NC(=O)COCc1cscn1 3fac59ce4fce802fbaa9cef874f44fa3 [0,0,0,0,0,1|2,0,0]=3 741 B11R1.172 NC(=O)COCc1csnn1 29edf84195dcb221b15586076fdffc96 [0,0,0,0,0,1|3,0,0]=4 742 B11R1.172 NC(=O)COCc1nc[nH]n1 3417bc8fce31115cd6666dfccce82f09 [0,0,0,0,0,1|2,0,0]=3 743 B11R1.172 NC(=O)COCc1ncc[nH]1 9025dbcdbdeb3076eb5e5490a1973b30 [0,0,0,0,0,1|3,0,0]=4 744 B11R1.172 NC(=O)COCc1ncco1 702d6ddeec97d8dc376db8abcd2c8d4c [0,0,0,0,0,1|3,0,0]=4 745 B11R1.172 NC(=O)COCc1nccs1 78281a80c4e83d1c41cb266ece532006 [0,0,0,0,0,1|3,0,0]=4 746 B11R1.172 NC(=O)COCc1ncno1 110623ff2e8dab56c361ddcc987a4e69 [0,0,0,0,0,1|2,0,1]=4 747 B11R1.172 NC(=O)COCc1ncns1 0edc19e2f1eb3d9343937c7800483c0c [0,0,0,0,0,1|2,0,1]=4 748 B11R1.172 NC(=O)COCc1ncon1 e4c014cbf8706b816e93f0e3b1470c63 [0,0,0,0,0,1|3,0,0]=4 749 B11R1.172 NC(=O)COCc1nn[nH]n1 144029c161f9f908fb9295fd7c855503 [0,0,0,0,0,1|3,0,0]=4 750 B11R1.172 NC(=O)COCn1cccn1 a40597a97678afc9e4c950056c86cfc1 [0,0,0,0,0,1|3,0,0]=4 751 B11R1.172 NC(=O)COCn1cncn1 a6618c23a61cb7f05fbce2ea03c74ee2 [0,0,0,0,0,1|2,0,1]=4 752 B11R1.172 NC(=O)SCNc1cocn1 b98c57ae231029bb80e9d12e48d56330 [0,0,0,0,0,1|3,0,0]=4 753 B11R1.172 NC(=O)SCNc1cscn1 f6e71f6accbc169b0cbf865b16363d91 [0,0,0,0,0,1|3,0,0]=4 754 B11R1.172 NC(=O)SCNc1nc[nH]n1 96b713be23d5072e0977bccbae4555ad [0,0,0,0,0,1|3,0,0]=4 755 B11R1.172 NC(=O)SCOc1c[nH]cn1 e972d8d7e60d85746b3d5bc0e68615d4 [0,0,0,0,0,1|2,0,0]=3 756 B11R1.172 NC(=S)CCNc1c[nH]cn1 c8c6e0a3513990810e2d7d81a76e825f [0,0,0,0,0,1|1,1,0]=3 757 B11R1.172 NC(=S)CCNc1cscn1 b3b2ee31ca43c1e9622e83900c5c8d40 [0,0,0,0,0,1|2,1,0]=4 758 B11R1.172 NC(=S)CCNc1nc[nH]n1 680d36b825745d0d8c2ffaea6e84e2ba [0,0,0,0,0,1|2,1,0]=4 759 B11R1.172 NC(=S)COCc1cocn1 2ef0b080124ec5bdd2f45e1ea1429eb6 [0,0,0,0,0,1|2,1,0]=4 760 B11R1.172 NC(=S)COCc1cscn1 88b5bd5b831e5245ca40bf25c45b68eb [0,0,0,0,0,1|2,1,0]=4 761 B11R1.172 NC(=S)COCc1nc[nH]n1 ea3f884227aa1c1e18276427e64cd75d [0,0,0,0,0,1|2,1,0]=4 762 B11R1.172 O=C(O)CCNc1c[nH]cn1 50eb713893be35a09e34f1767ca949af [0,0,0,0,0,1|0,0,0]=1 763 B11R1.172 O=C(O)CCNc1cc[nH]n1 0b319ed743919966d2f045b4aa78d8a7 [0,0,0,0,0,1|2,0,0]=3 764 B11R1.172 O=C(O)CCNc1cccs1 ce94cb2d46b17a86ed1a73ac7890105f [0,0,0,0,0,1|2,0,0]=3 765 B11R1.172 O=C(O)CCNc1ccno1 d4b6c1aacfe5e557161f479edb046e0e [0,0,0,0,0,1|2,0,1]=4 766 B11R1.172 O=C(O)CCNc1ccns1 75a59384acd40e92bf9370be24345681 [0,0,0,0,0,1|2,0,1]=4 767 B11R1.172 O=C(O)CCNc1ccoc1 4411d087719fc4942c24c38bf749d3eb [0,0,0,0,0,1|2,0,0]=3 768 B11R1.172 O=C(O)CCNc1ccon1 d671f74d5d01cdd01b355814906f3a8b [0,0,0,0,0,1|2,0,0]=3 769 B11R1.172 O=C(O)CCNc1ccsc1 32ebfb871c07e2b5b1de018d766ef835 [0,0,0,0,0,1|2,0,0]=3 770 B11R1.172 O=C(O)CCNc1cn[nH]c1 d53f04e07ec4ed3c16a9f4439f293a75 [0,0,0,0,0,1|2,0,0]=3 771 B11R1.172 O=C(O)CCNc1cncs1 9bcabddedbb8458b3eba95eac48c0b48 [0,0,0,0,0,1|1,0,1]=3 772 B11R1.172 O=C(O)CCNc1cnoc1 33ce25a24ae3f9cd73bd1467794c893e [0,0,0,0,0,1|2,0,1]=4 773 B11R1.172 O=C(O)CCNc1cnon1 045dce2e878194829e8bfc51c84f01f0 [0,0,0,0,0,1|1,0,1]=3 774 B11R1.172 O=C(O)CCNc1cnsc1 afe483afb62ea88d3ccdd011e2726fea [0,0,0,0,0,1|2,0,1]=4 775 B11R1.172 O=C(O)CCNc1cnsn1 513208fcb89a3c458ebe5c75a93d76c4 [0,0,0,0,0,1|1,0,1]=3 776 B11R1.172 O=C(O)CCNc1cocn1 3b949f48cca00da2cb46c4f3db3c609a [0,0,0,0,0,1|1,0,0]=2 777 B11R1.172 O=C(O)CCNc1cscn1 c1f042d73c163747890fb34c04fb3827 [0,0,0,0,0,1|1,0,0]=2 778 B11R1.172 O=C(O)CCNc1nc[nH]n1 5cccd9bf721f820972e6f2cac8213681 [0,0,0,0,0,1|1,0,0]=2 779 B11R1.172 O=C(O)CCNc1ncco1 dc8071ebf241cbcf7c6a3949dbbf648c [0,0,0,0,0,1|2,0,0]=3 780 B11R1.172 O=C(O)CCNc1nccs1 c9b5768fc8ba567876bfeddbb76e2171 [0,0,0,0,0,1|2,0,0]=3 781 B11R1.172 O=C(O)CCNc1ncns1 d76557c84a98217e7b875e9e5e4b630e [0,0,0,0,0,1|1,0,1]=3 782 B11R1.172 O=C(O)CCNc1nn[nH]n1 364070b0c35e7cdc52a45f14a2ada48b [0,0,0,0,0,1|2,0,0]=3 783 B11R1.172 O=C(O)CCNc1nncs1 b1446dbb1e1412c0497ec44d8ed9f843 [0,0,0,0,0,1|2,0,1]=4 784 B11R1.172 O=C(O)CCNc1nnns1 b4c0c49eee84412bc6d7073a062e091d [0,0,0,0,0,1|2,0,1]=4 785 B11R1.172 O=C(O)CCOc1c[nH]cn1 a647bcea462f771f4eb3530c5c3f7b39 [0,0,0,0,0,1|0,0,0]=1 786 B11R1.172 O=C(O)CCOc1ccco1 21b91de83358b466cc7a22fde4a1f9b0 [0,0,0,0,0,1|2,0,0]=3 787 B11R1.172 O=C(O)CCOc1ccn[nH]1 264a35d1d9b4bfbec93c954f4965dcdc [0,0,0,0,0,1|2,0,1]=4 788 B11R1.172 O=C(O)CCOc1cn[nH]c1 8e4b6c737b77f860f02c3d48637822f6 [0,0,0,0,0,1|2,0,0]=3 789 B11R1.172 O=C(O)CCOc1cnoc1 518b488a0c65d7fb295e4974d2d7d494 [0,0,0,0,0,1|2,0,1]=4 790 B11R1.172 O=C(O)CCOn1cccn1 ab3f04a252d7236ab16eb98a720889df [0,0,0,0,0,1|2,0,0]=3 791 B11R1.172 O=C(O)CCOn1ccnc1 c700da65a6e90a1c09f4455b14d0c22c [0,0,0,0,0,1|2,0,1]=4 792 B11R1.172 O=C(O)CNCc1c[nH]nn1 6afb19011e008dbeb2fb2d5f617b5358 [0,0,0,0,0,1|1,0,0]=2 793 B11R1.172 O=C(O)CNCc1cc[nH]c1 ad1545a2535c92a94cb4b770bdc582e2 [0,0,0,0,0,1|1,0,0]=2 794 B11R1.172 O=C(O)CNCc1ccc[nH]1 3d138a920c9fb2680fe73ae1ec866070 [0,0,0,0,0,1|1,0,1]=3 795 B11R1.172 O=C(O)CNCc1ccco1 4503a4764d3abcbc8a5487f0f255e772 [0,0,0,0,0,1|2,0,0]=3 796 B11R1.172 O=C(O)CNCc1cccs1 6589353daf6c6878fe13fe1bd5a05a32 [0,0,0,0,0,1|2,0,0]=3 797 B11R1.172 O=C(O)CNCc1ccn[nH]1 c863a1dba7828ddf822351fe91e22eb9 [0,0,0,0,0,1|2,0,1]=4 798 B11R1.172 O=C(O)CNCc1ccno1 419f64ab65b7ba14cc8176532520daa1 [0,0,0,0,0,1|2,0,1]=4 799 B11R1.172 O=C(O)CNCc1ccns1 07842c437beb61a0ea93508c03ff6af7 [0,0,0,0,0,1|2,0,1]=4 800 B11R1.172 O=C(O)CNCc1ccoc1 438cf3c33f55945b82713de9b13aa6fc [0,0,0,0,0,1|2,0,0]=3 801 B11R1.172 O=C(O)CNCc1ccon1 87fb352cebbabd7e8578ce04512c46ac [0,0,0,0,0,1|2,0,0]=3 802 B11R1.172 O=C(O)CNCc1ccsc1 dff5b88c0ad76084e686cd0c8eb30456 [0,0,0,0,0,1|2,0,0]=3 803 B11R1.172 O=C(O)CNCc1ccsn1 f3683c8a16c8f36ec57db239489e2a88 [0,0,0,0,0,1|2,0,0]=3 804 B11R1.172 O=C(O)CNCc1cn[nH]c1 b27cb661408c4e5f7d6705944ed49248 [0,0,0,0,0,1|2,0,0]=3 805 B11R1.172 O=C(O)CNCc1cnc[nH]1 cdc9ec7a3320fc086bd5ff255bde1d62 [0,0,0,0,0,1|0,0,2]=3 806 B11R1.172 O=C(O)CNCc1cnco1 c69761e627827a8043deb8e0d16d89e2 [0,0,0,0,0,1|1,0,1]=3 807 B11R1.172 O=C(O)CNCc1cncs1 b10e0962211288134116e2bb9ad56cb1 [0,0,0,0,0,1|1,0,1]=3 808 B11R1.172 O=C(O)CNCc1cnoc1 a29134eb7f691c30d3d4b60dfebf4883 [0,0,0,0,0,1|2,0,1]=4 809 B11R1.172 O=C(O)CNCc1cnsc1 2c1dec8e6001c1cfe4db32fbbfd16e4e [0,0,0,0,0,1|2,0,1]=4 810 B11R1.172 O=C(O)CNCc1cocn1 9dd0f56cb9645473bd88a4714a65c285 [0,0,0,0,0,1|1,0,0]=2 811 B11R1.172 O=C(O)CNCc1cscn1 ab0953006c5e0edb33635d07ef299b35 [0,0,0,0,0,1|1,0,0]=2 812 B11R1.172 O=C(O)CNCc1nc[nH]n1 13614a32a08c7404bed60bd2274ea8a4 [0,0,0,0,0,1|1,0,0]=2 813 B11R1.172 O=C(O)CNCc1ncc[nH]1 f821f923489be06a2bea63b6691033d8 [0,0,0,0,0,1|2,0,0]=3 814 B11R1.172 O=C(O)CNCc1ncco1 b6f80caf75d41ec248134f5ed4e33873 [0,0,0,0,0,1|2,0,0]=3 815 B11R1.172 O=C(O)CNCc1nccs1 51e00e6d0b6459f6c06ec05eba7595a5 [0,0,0,0,0,1|2,0,0]=3 816 B11R1.172 O=C(O)CNCc1ncon1 c3b68da3fb627cd94f1f57eb70c6f588 [0,0,0,0,0,1|2,0,0]=3 817 B11R1.172 O=C(O)CNCc1nnco1 e4201944c932fdf9034723e9216b2a4c [0,0,0,0,0,1|2,0,1]=4 818 B11R1.172 O=C(O)CNCc1nnn[nH]1 08963c3b55cf16dc5e4e2d5d0a322b06 [0,0,0,0,0,1|2,0,1]=4 819 B11R1.172 O=C(O)CNCn1cncn1 ff79857f4285014c081722bd55c7457e [0,0,0,0,0,1|1,0,1]=3 820 B11R1.172 O=C(O)CNCn1nccn1 edb44ba73fca3cf94abe6e52976f7d02 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.172 O=C(O)COCc1cc[nH]c1 0000d8dd863a04d7f4797db125a9bade [0,0,0,0,0,1|1,0,0]=2 822 B11R1.172 O=C(O)COCc1ccc[nH]1 1e43b9635f5a6de6df4ac7f9f5040b2a [0,0,0,0,0,1|1,0,1]=3 823 B11R1.172 O=C(O)COCc1ccco1 86ba59a113605253dd8262c236f0c2b8 [0,0,0,0,0,1|2,0,0]=3 824 B11R1.172 O=C(O)COCc1cccs1 956edf8e319dd4bdec98a4daef429110 [0,0,0,0,0,1|2,0,0]=3 825 B11R1.172 O=C(O)COCc1ccn[nH]1 5f0fef531952241b9e474615a9f528cf [0,0,0,0,0,1|2,0,1]=4 826 B11R1.172 O=C(O)COCc1ccno1 92e9977c89b9e5d06471307043a1a583 [0,0,0,0,0,1|2,0,1]=4 827 B11R1.172 O=C(O)COCc1ccns1 fe333376cd3c8d1264ba25ac34d63c66 [0,0,0,0,0,1|2,0,1]=4 828 B11R1.172 O=C(O)COCc1ccon1 3fe80a324f95f34e99958a9e3592dc1c [0,0,0,0,0,1|2,0,0]=3 829 B11R1.172 O=C(O)COCc1ccsc1 7f5f261218aa0861585e6ab4d63555d6 [0,0,0,0,0,1|2,0,0]=3 830 B11R1.172 O=C(O)COCc1ccsn1 1761ef5a2d7ddab6eb9a929484ed6666 [0,0,0,0,0,1|2,0,0]=3 831 B11R1.172 O=C(O)COCc1cn[nH]c1 e295b416c551901a411118d032b342ca [0,0,0,0,0,1|2,0,0]=3 832 B11R1.172 O=C(O)COCc1cnc[nH]1 fe7086271119c575e10e59fd8a7ab1e9 [0,0,0,0,0,1|0,0,2]=3 833 B11R1.172 O=C(O)COCc1cnco1 ea1da8ce0a76f478c90c89d9c8a90ab0 [0,0,0,0,0,1|1,0,1]=3 834 B11R1.172 O=C(O)COCc1cnn[nH]1 67e7a90364d07bc7d302eb6ff6271c94 [0,0,0,0,0,1|1,0,2]=4 835 B11R1.172 O=C(O)COCc1cnoc1 ab97358c5fa99489dcc89f03df2244b6 [0,0,0,0,0,1|2,0,1]=4 836 B11R1.172 O=C(O)COCc1cnsc1 6fa716d8c16ae1d1257d1e6497423de0 [0,0,0,0,0,1|2,0,1]=4 837 B11R1.172 O=C(O)COCc1cnsn1 e1d4542e1f77a30d8f18a8bb2824d728 [0,0,0,0,0,1|1,0,1]=3 838 B11R1.172 O=C(O)COCc1cocn1 f93d278a2fe950df72a6211245f5f818 [0,0,0,0,0,1|1,0,0]=2 839 B11R1.172 O=C(O)COCc1cscn1 fdc5bd1c51080fa79e5195e10498857b [0,0,0,0,0,1|1,0,0]=2 840 B11R1.172 O=C(O)COCc1csnn1 745bad199758e9ba3ffd9c1650b248a3 [0,0,0,0,0,1|2,0,0]=3 841 B11R1.172 O=C(O)COCc1nc[nH]n1 a71f83d885117b8d8c7d49944b872553 [0,0,0,0,0,1|1,0,0]=2 842 B11R1.172 O=C(O)COCc1ncc[nH]1 a21d21d2075106628e8194398a557b79 [0,0,0,0,0,1|2,0,0]=3 843 B11R1.172 O=C(O)COCc1ncco1 cde8867d534088f4e8ef37a93ab4a4b1 [0,0,0,0,0,1|2,0,0]=3 844 B11R1.172 O=C(O)COCc1nccs1 1369eed8b3315a92894b12c7390650b7 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.172 O=C(O)COCc1ncno1 1bb7fa03276eb1e75e38c09246a25307 [0,0,0,0,0,1|1,0,1]=3 846 B11R1.172 O=C(O)COCc1ncns1 a4347ca24b72fb9a2746c10d7c5affd2 [0,0,0,0,0,1|1,0,1]=3 847 B11R1.172 O=C(O)COCc1ncon1 285cf47c5cf7ef3c3522671d166a53b3 [0,0,0,0,0,1|2,0,0]=3 848 B11R1.172 O=C(O)COCc1nn[nH]n1 5c973c560423ff26138eeb72462bab0e [0,0,0,0,0,1|2,0,0]=3 849 B11R1.172 O=C(O)COCc1nnco1 0d6d25bab6998b80d2efd2d725766c44 [0,0,0,0,0,1|2,0,1]=4 850 B11R1.172 O=C(O)COCn1cccn1 6748d5f0e422c386b47b5345fb9b68cd [0,0,0,0,0,1|2,0,0]=3 851 B11R1.172 O=C(O)COCn1ccnc1 bef244b250aa0d8fe50a972aed9903bf [0,0,0,0,0,1|2,0,1]=4 852 B11R1.172 O=C(O)COCn1cncn1 b5d432fb0c8f31eab9eeaadf232abef2 [0,0,0,0,0,1|1,0,1]=3 853 B11R1.172 O=C(O)COCn1nccn1 477652234dcf9200c159c18d97202ba0 [0,0,0,0,0,1|3,0,0]=4 854 B11R1.172 O=S(O)CCNc1c[nH]cn1 7c73f59f4064c737e01d956a9a152a4c [0,0,0,0,0,1|1,0,0]=2 855 B11R1.172 O=S(O)CCNc1c[nH]nn1 3bf591355e624eb316ee210826ef1f57 [0,0,0,0,0,1|2,0,0]=3 856 B11R1.172 O=S(O)CCNc1cc[nH]n1 978748f46d4a80c2634d9291b31bc0f2 [0,0,0,0,0,1|3,0,0]=4 857 B11R1.172 O=S(O)CCNc1ccco1 c8c48422e87940db7945f996ca1a423b [0,0,0,0,0,1|3,0,0]=4 858 B11R1.172 O=S(O)CCNc1cccs1 bd6ce401bf4307fdfc4e602bfd6a30b3 [0,0,0,0,0,1|3,0,0]=4 859 B11R1.172 O=S(O)CCNc1ccoc1 f0830c75bea4d98f9333ecb15e818574 [0,0,0,0,0,1|3,0,0]=4 860 B11R1.172 O=S(O)CCNc1ccon1 0031d87f89a20e464b176396986fdec3 [0,0,0,0,0,1|3,0,0]=4 861 B11R1.172 O=S(O)CCNc1ccsc1 478b68213f238f63e5c2bb3051f30685 [0,0,0,0,0,1|3,0,0]=4 862 B11R1.172 O=S(O)CCNc1ccsn1 ece097ff325e433c2fcacc091822b3a2 [0,0,0,0,0,1|3,0,0]=4 863 B11R1.172 O=S(O)CCNc1cn[nH]c1 eb632c2e11ef36cffa212647cc38475f [0,0,0,0,0,1|3,0,0]=4 864 B11R1.172 O=S(O)CCNc1cncs1 90df3be3ee505e473db31798c11d3da4 [0,0,0,0,0,1|2,0,1]=4 865 B11R1.172 O=S(O)CCNc1cnsn1 da1538ac65051ec2e3dc4f0683af1c25 [0,0,0,0,0,1|2,0,1]=4 866 B11R1.172 O=S(O)CCNc1cocn1 929d7b995ceaa6f6d55aa0cf0303b12a [0,0,0,0,0,1|2,0,0]=3 867 B11R1.172 O=S(O)CCNc1ncc[nH]1 18a622d37b47a011643cea4e32889076 [0,0,0,0,0,1|3,0,0]=4 868 B11R1.172 O=S(O)CCNc1ncco1 5eff7e4e5d2583d44b5aaf2a9036a868 [0,0,0,0,0,1|3,0,0]=4 869 B11R1.172 O=S(O)CCNc1nccs1 3ad58b1bd6330696299d7d4c63299a33 [0,0,0,0,0,1|3,0,0]=4 870 B11R1.172 O=S(O)CCNc1ncns1 3bc4d3dafd21fb3f89357a1b4f05e148 [0,0,0,0,0,1|2,0,1]=4 871 B11R1.172 O=S(O)CCNc1nn[nH]n1 f86f60ed150f73b4d40f9e1ac9b9c97a [0,0,0,0,0,1|3,0,0]=4 872 B11R1.172 O=S(O)COCc1ccco1 2c4930c72f1264510282a2d0d1cd440d [0,0,0,0,0,1|3,0,0]=4 873 B11R1.172 O=S(O)COCc1cccs1 a7cca5f06e3cbbce2bc27f06f06acdaa [0,0,0,0,0,1|3,0,0]=4 874 B11R1.172 O=S(O)COCc1ccon1 c69426bf8626171c71429e730819145a [0,0,0,0,0,1|3,0,0]=4 875 B11R1.172 O=S(O)COCc1ccsc1 1674bc16855169af805a51437176d710 [0,0,0,0,0,1|3,0,0]=4 876 B11R1.172 O=S(O)COCc1cnc[nH]1 feafbc82b63ac3315c7e88caa9f55d48 [0,0,0,0,0,1|1,0,2]=4 877 B11R1.172 O=S(O)COCc1cocn1 9deb7a7b3c2572eb7ab8d521c03077fe [0,0,0,0,0,1|2,0,0]=3 878 B11R1.172 O=S(O)COCc1cscn1 3ebf019eb99ac159f764f90edd5f20f5 [0,0,0,0,0,1|2,0,0]=3 879 B11R1.172 O=S(O)COCc1nc[nH]n1 1e24d405a35e18e6c14ecbd0462e3e39 [0,0,0,0,0,1|2,0,0]=3 880 B11R1.172 O=S(O)COCc1ncc[nH]1 bb749b34f54608bdb922163d2712b9b8 [0,0,0,0,0,1|3,0,0]=4 881 B11R1.172 O=S(O)COCc1ncco1 b71c707929b25f1a04de0471f6526286 [0,0,0,0,0,1|3,0,0]=4 882 B11R1.172 O=S(O)COCc1nccs1 957f6f8fb553a04884a00950f4f17ed1 [0,0,0,0,0,1|3,0,0]=4 883 B11R1.172 O=S(O)COCc1ncno1 32e74f8551674bedc3fc3984c42c469d [0,0,0,0,0,1|2,0,1]=4 884 B11R1.172 O=S(O)COCc1ncon1 8c61713e7086bd8a69c3f84fb6c46733 [0,0,0,0,0,1|3,0,0]=4 885 B11R1.172 O=S(O)COCn1cncn1 078767f46050eea9b71123463d880c14 [0,0,0,0,0,1|2,0,1]=4 886 B11R1.172 O=[N+]([O-])CNCc1c[nH]nn1 d5733a137e2b88e96ac3b7769086ae62 [0,0,0,0,0,1|2,0,1]=4 887 B11R1.172 O=[N+]([O-])CNCc1cc[nH]c1 4fde9ceade749c39fbc444e200a2a5ec [0,0,0,0,0,1|2,0,1]=4 888 B11R1.172 O=[N+]([O-])CNCc1cocn1 82c6a9b3812b2ca54a9a02824420a1c7 [0,0,0,0,0,1|2,0,1]=4 889 B11R1.172 O=[N+]([O-])CNCc1cscn1 3f1f73652675c1effa6888a16ae1fad6 [0,0,0,0,0,1|2,0,1]=4 890 B11R1.172 O=[N+]([O-])COCc1cc[nH]c1 3bd043ace5f0a4e9e0bc3c1022fbbe84 [0,0,0,0,0,1|2,0,1]=4 891 B11R1.172 O=[N+]([O-])COCc1cocn1 d10332a1f00f765c426c3d2c42ad8810 [0,0,0,0,0,1|2,0,1]=4 892 B11R1.172 O=[N+]([O-])COCc1cscn1 64d6b63de152a0618bcbb57349b48105 [0,0,0,0,0,1|2,0,1]=4 893 B11R1.172 O=[N+]([O-])COCc1nc[nH]n1 94199f4b5ff195b5f184aea62bb5bba7 [0,0,0,0,0,1|2,0,1]=4 894 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [1,0,1,0,0,0|2,0,0]=4 895 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [1,0,1,0,0,0|2,0,0]=4 896 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [1,0,1,0,0,0|2,0,0]=4 897 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [2,0,0,0,0,0|1,0,1]=4 898 B8R1.8 FCOc1c[nH]cn1 83ef801dce93fa6d3822b836ca187583 [2,0,0,0,0,0|2,0,0]=4 899 B8R1.8 O=CNc1cocn1 fa7501fc60eefe5acd9d7f72446662b1 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.8 O=CNc1cscn1 dc58d2c2a66d8256ef5e7a147170c401 [2,0,0,0,0,0|2,0,0]=4 901 B8R1.8 OCNc1cocn1 e1a60a0cc7051579fcf6090e396569f9 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.8 OCNc1cscn1 ad7de3e895d3dc9dfaeb615236b65625 [2,0,0,0,0,0|2,0,0]=4 903 B8R1.8 OCNc1nc[nH]n1 8346a4f1b280596bfeb57f5f70409227 [2,0,0,0,0,0|2,0,0]=4 904 B10R0.4 C/C=C/C=C/COCC(=O)O a553b55e60655b04d7e2bf5b9e7b2cb3 [0,1,1,0,0,0|2,0,0]=4 905 B10R0.4 CC=CC=CCOCC(=O)O c52aa3fc2bbbc75c8a204a0b0c340fbd [0,1,1,0,0,0|2,0,0]=4 906 B10R1.11 CC(NC=O)c1cscn1 5462f345d5d44b1fd6712d129e61c3c0 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.16 C=CCNc1cn(cn1)C a462c505be63c83574e2fbee0eea41d0 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.16 Cc1nc(c[nH]1)CNCO 3e74b5309d619d0e6dd484907b29a34f [1,1,0,0,0,0|1,0,1]=4 909 B10R1.16 Cc1nc(co1)CNC=O 549dd3580932963f2c1f626de28559c8 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.16 Cc1nc(cs1)CNC=O 732ecbc4b257bef5c5bd60d1ed8929db [1,1,0,0,0,0|2,0,0]=4 911 B10R1.16 Cc1nc(n[nH]1)OCC=O 780d31729879d278d61db8e7020e5b7d [1,1,0,0,0,0|2,0,0]=4 912 B10R1.16 Cn1cc(nn1)CNC=O 0a34356567a9c9dfcad0388b07341df0 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.16 Cn1cc(nn1)NCC=O 7782a3498f564062605a5270916264a4 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.16 Cn1cnc(c1)CNC=O 547aa87da1f75854135bc77f58ae7a73 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.16 Cn1cnc(c1)CNCO b3b692b6a3edb7e4a21af9273bb9ee52 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.16 Cn1cnc(c1)NCC=O 9e6e34cc996b9a7a1ade57d40c857430 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.16 Cn1cnc(c1)NCCO 4e3087e10c8e4e70deb14c9696d94abe [1,1,0,0,0,0|1,0,1]=4 918 B10R1.16 Cn1cnc(n1)CNC=O 82f9501aa47e91d5249ec1ac7f2612b4 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.16 Cn1cnc(n1)NCC=O 54a65db5070369922658b7f7026031a3 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.16 Nc1nc(c[nH]1)NCCO 4ba847e43ac32363bc620f9a0e3d98ca [1,1,0,0,0,0|1,0,1]=4 921 B10R1.16 O=CCNc1csc(n1)Br fdfe322e0f58a7111d68e489903bd793 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.16 O=CCNc1n[nH]c(n1)Br 329700616cd9048edff8a130076747b2 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.16 O=CCNc1n[nH]c(n1)S 4b04041821974945fef00ee0935a0ee5 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.16 O=CNCc1csc(n1)Br af4b63c2f1b0d4a442e76cbc4f9d73a3 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.16 O=CNCc1csc(n1)Cl 962e49b3ee0bdea89459f035a1cfd36a [1,1,0,0,0,0|2,0,0]=4 926 B10R1.21 C#CCCOc1c[nH]cn1 a9339fc0d158770275dc19d0a3dede1d [1,1,0,0,0,0|1,0,1]=4 927 B10R1.21 C/C=C/COc1c[nH]cn1 3a010fe3d1a9e7f9b35c1d05260ea385 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.21 C/C=C\COc1c[nH]cn1 6a41a70c06fa488a12645e2f95a912dc [1,1,0,0,0,0|1,0,1]=4 929 B10R1.21 C=CCCNc1c[nH]cn1 70b81c3dc04797a2430cde6003632eaf [1,1,0,0,0,0|1,0,0]=3 930 B10R1.21 C=CCCNc1c[nH]nn1 8f304e6b5c3d0bd4d3a9bccc721fa1ac [1,1,0,0,0,0|2,0,0]=4 931 B10R1.21 C=CCCNc1cocn1 4f6499b128a1651063fbee506b0a8c74 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.21 C=CCCNc1cscn1 7be2c822f64193381111370322245352 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.21 C=CCCNc1nc[nH]n1 c4912d5fc1bb858cd7ef6ba0630aec4e [1,1,0,0,0,0|2,0,0]=4 934 B10R1.21 C=CCCOc1c[nH]cn1 80a90fc0cffcbf3e36e432a798907ffb [1,1,0,0,0,0|1,0,0]=3 935 B10R1.21 C=CCNCc1c[nH]nn1 c540b519d505a267401d0707bcd4efb8 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.21 C=CCNCc1cc[nH]c1 12497874a2abb00dc17db0dc9ebc7613 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.21 C=CCNCc1cocn1 0a0181cda79d21cb7a22b5c8329f986f [1,1,0,0,0,0|2,0,0]=4 938 B10R1.21 C=CCNCc1cscn1 c0bf4d46e101e5c8b1471c62ae116f01 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.21 C=CCOCc1cc[nH]c1 f1e6d73db92aba083cabe0e86c8ba39c [1,1,0,0,0,0|2,0,0]=4 940 B10R1.21 C=CCOCc1cocn1 7a07a0382abf2a02c983fb2fa743091d [1,1,0,0,0,0|2,0,0]=4 941 B10R1.21 C=CCOCc1cscn1 55c2095e9676d2b7d86d90bf0716ea69 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.21 C=CCOCc1nc[nH]n1 25edd7d80bdd1ea006432d25d6203305 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.21 CC=CCNc1c[nH]cn1 5370d3478c1fb26c56749fbca1432f9b [1,1,0,0,0,0|1,0,1]=4 944 B10R1.21 CCCCNc1c[nH]cn1 c32a5f86e55cb9897330164d8efcb9fe [1,1,0,0,0,0|1,0,1]=4 945 B10R1.21 CCCCOc1c[nH]cn1 2de79fd47cbcb5ac95e2c102e85f22a4 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.21 CCNCCc1c[nH]cn1 5d8976b386787bb539681dc4bbe582eb [1,1,0,0,0,0|1,0,1]=4 947 B10R1.21 CCOCCc1c[nH]cn1 aedba343b36eaee1c14567760ebbcea9 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.21 COCCNc1c[nH]cn1 31b5e19647757b8c8ff224c51156209f [1,1,0,0,0,0|1,0,1]=4 949 B10R1.21 COCCOc1c[nH]cn1 c22d372def312a114ce12682b28da196 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.21 CSCCNc1c[nH]cn1 137b35293b0dc85bb31d2e32ee40a86e [1,1,0,0,0,0|2,0,0]=4 951 B10R1.21 CSCCOc1c[nH]cn1 562e0b23ec0786e0fd18550873f0babf [1,1,0,0,0,0|2,0,0]=4 952 B10R1.21 Cl/C=C/COc1c[nH]cn1 c60a66216f18b7ff0d749d5508d10766 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.21 Cl/C=C\COc1c[nH]cn1 2c9e805dde0d72cbe5fce87182b4d3ae [1,1,0,0,0,0|1,0,1]=4 954 B10R1.21 ClCCCNc1c[nH]cn1 bb0220a317ead0c6592b3f7582bc8a4e [1,1,0,0,0,0|1,0,1]=4 955 B10R1.21 FCCCOc1c[nH]cn1 052363ddff55bdbd33b34583095bb26d [1,1,0,0,0,0|1,0,1]=4 956 B10R1.21 FCNCCc1c[nH]cn1 5494221e6ff8321957b1f00f7d3f58ac [1,1,0,0,0,0|1,0,1]=4 957 B10R1.21 FCOCCc1c[nH]cn1 4d549ea41c918a10f0105a3f3b12fe92 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.21 N#CCCOc1c[nH]cn1 636e64c404db8ea32840c93c8d734025 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.21 N#CNCCc1c[nH]cn1 8fb9c1521f3ec9c0464b4307f902e443 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.21 NOCCNc1c[nH]cn1 e065522251f25977a78cf45e20af91cd [1,1,0,0,0,0|1,0,1]=4 961 B10R1.21 O/C=C\CNc1cocn1 effc7a84d1fccc0ac9cb6fd5fdb1d985 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.21 O/C=C\CNc1cscn1 fcc24982b7d939050ac13c7642a32e38 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.21 O/C=C\CNc1nc[nH]n1 fd8ac19cc16db07306a2575bbb733cc9 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.21 O=CCCNc1cc[nH]n1 8a1ade5043893358cb69e74fcdd0e1a6 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.21 O=CCCNc1cccs1 cf723f42f768b24ec42d1757ae280dc8 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.21 O=CCCNc1ccon1 c588e4af2efb8813f268f73fba822411 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.21 O=CCCNc1ccsc1 ed6f4df976108c2384ab206768535110 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.21 O=CCCNc1cn[nH]c1 2e861bb123372d06176b431b6f62f6bc [1,1,0,0,0,0|2,0,0]=4 969 B10R1.21 O=CCCNc1cncs1 a293c81ee2b37a78d5c415c0fa2b626f [1,1,0,0,0,0|1,0,1]=4 970 B10R1.21 O=CCCNc1cnon1 a5ba5dffcf22237f7040149385825e82 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.21 O=CCCNc1cocn1 9b651ced5384524592e6d49a1a8c628d [1,1,0,0,0,0|1,0,0]=3 972 B10R1.21 O=CCCNc1cscn1 970a566956c175f49ff33928637300e7 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.21 O=CCCNc1nc[nH]n1 29dc349c2813122d0cdf5a42d98a3a7b [1,1,0,0,0,0|1,0,0]=3 974 B10R1.21 O=CCCNc1ncc[nH]1 1887c12f3a1f4ecdc41bbc0fb186dd6d [1,1,0,0,0,0|2,0,0]=4 975 B10R1.21 O=CCCNc1ncco1 fb776ff68a458fb64c5ac0d805cf09aa [1,1,0,0,0,0|2,0,0]=4 976 B10R1.21 O=CCCNc1nccs1 bf2c684eb13b8829edbeec735d588825 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.21 O=CCCNc1ncns1 e5a540cd56c64d20d230de08c9880ab9 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.21 O=CCCNc1ncon1 f5f104320c0cd15e09fae937429f312c [1,1,0,0,0,0|2,0,0]=4 979 B10R1.21 O=CCCNc1ncsn1 20a953f31f1309985bda2bf898b16001 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.21 O=CCCNc1nn[nH]n1 df589396bf32f8c9c8b69ae061517345 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.21 O=CCCOc1c[nH]cn1 40722884efca362ac72380dad1a01b51 [1,1,0,0,0,0|0,0,0]=2 982 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.21 O=CCCOc1cccs1 3c97730eeb94cffc869f74e9b437863e [1,1,0,0,0,0|2,0,0]=4 984 B10R1.21 O=CCCOc1ccsc1 6981d24b6a7e2a20bdb132bebee95d3d [1,1,0,0,0,0|2,0,0]=4 985 B10R1.21 O=CCCOc1cn[nH]c1 452289af55cf76417e271e7870875f5a [1,1,0,0,0,0|2,0,0]=4 986 B10R1.21 O=CCCOc1cnsn1 f73ae552472068bdf4d3bde3a80e8ecd [1,1,0,0,0,0|1,0,1]=4 987 B10R1.21 O=CCCOc1nccs1 190eae07ba3014a115b4439e0b99aeab [1,1,0,0,0,0|2,0,0]=4 988 B10R1.21 O=CCCOn1cccn1 59d114d966ad50cefa50574b35120497 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.21 O=CCNCc1c[nH]nn1 86b900c343df5934c3e604b03a04663e [1,1,0,0,0,0|1,0,0]=3 990 B10R1.21 O=CCNCc1cc[nH]c1 7bd98127b6ed34fc346e296ba4f3f373 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.21 O=CCNCc1ccc[nH]1 639a18cc5e97b07de5adf524490bad82 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.21 O=CCNCc1cccs1 e94becbb6eb95ee69efd16aa47a4093c [1,1,0,0,0,0|2,0,0]=4 994 B10R1.21 O=CCNCc1ccoc1 0b29fd8fcb3b08692b1fdadec4dcd0e3 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.21 O=CCNCc1ccon1 fc4129189c2ed64fed05b3f96c696e4c [1,1,0,0,0,0|2,0,0]=4 996 B10R1.21 O=CCNCc1ccsc1 f27b0971a477a24721ebff5e935a3de8 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.21 O=CCNCc1ccsn1 cfdc41af0a092c55b057d59f8a5edfa4 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.21 O=CCNCc1cn[nH]c1 81e52403adcf6062c8343fe7e0486634 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.21 O=CCNCc1cnco1 58a57fef6fc554af7226549b91166623 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.21 O=CCNCc1cncs1 e532b4c9b3414cb2d13ca7cf1e02efd7 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.21 O=CCNCc1cocn1 f886d0ec381ee97f2b620bc4ac7dca05 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.21 O=CCNCc1cscn1 969d5ebde0bb1a20c743c3c8836c2153 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.21 O=CCNCc1ncc[nH]1 060e9eab9e0c63d22fb428f2cbee91a4 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.21 O=CCNCc1ncco1 ac49783ef77ca87adf8287f4ded3f0f6 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.21 O=CCNCc1nccs1 c236042baeede1f50f70d2e7d78d875c [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.21 O=CCNCc1ncn[nH]1 af9916afc06cc23e0d0386982fdceca5 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.21 O=CCOCc1cc[nH]c1 efe8feb7746260a5e0774b30b9119620 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.21 O=CCOCc1ccc[nH]1 97ffcf32763fc9745266acd768ec8a83 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.21 O=CCOCc1ccco1 22e3ccbc249d54fc00073a07f33cc6b4 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.21 O=CCOCc1cccs1 f2a935b74a2608083c2a4099d7794c24 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.21 O=CCOCc1ccoc1 419ffb39b39f5ed040a5ef11e54016e6 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.21 O=CCOCc1ccon1 942fcb84e7fd908f79f1e205b6bf8fd1 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.21 O=CCOCc1ccsc1 4760773b2223f950ce80a9a7109a6734 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.21 O=CCOCc1ccsn1 de329a16956d11b8a774c9083cdce2e6 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.21 O=CCOCc1cn[nH]c1 a11b8495d786a8c2c14a9f2b37fa08a7 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.21 O=CCOCc1cnc[nH]1 85cadd5fdf28a3200a9f7f485325beec [1,1,0,0,0,0|0,0,2]=4 1017 B10R1.21 O=CCOCc1cnco1 615a5c95d412eed9adf2d90d072cfb2e [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.21 O=CCOCc1cncs1 4008b9560147db35610e6a95ebd04fcc [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.21 O=CCOCc1cnsn1 7881da09be407fb2bd351ae71f6f18ee [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.21 O=CCOCc1cocn1 e8353df610be40777c8824242f8ab0c2 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.21 O=CCOCc1cscn1 eb1d18581e17760c4af776097ce46c7d [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.21 O=CCOCc1csnn1 1343d96d64c7e6c06d203627ab9747ef [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.21 O=CCOCc1nc[nH]n1 9e1f54de21f53a873e2d629de0e94a1f [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.21 O=CCOCc1ncc[nH]1 035fcf20392bfcf322c740f38023aac5 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.21 O=CCOCc1ncco1 50c7923fde7502fbf1b355e2a11c9baa [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.21 O=CCOCc1nccs1 0eb380228acca2ace6bcbf77afa7ea6e [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.21 O=CCOCc1ncno1 1da1cfb506111bc09c4fb835973f1f50 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.21 O=CCOCc1ncns1 fd0570a9f7f56507810d2a3efbfaa54f [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.21 O=CCOCc1ncon1 f857fcdc504643d340ce6b6cf09d253d [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.21 O=CCOCc1nn[nH]n1 7de852b74d34092ab406c7f019a5bca9 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.21 O=CCOCn1cccn1 4b4c4790bd57aa2aad396efb2f7a6dff [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.21 O=CCOCn1cncn1 9a085a22b256c98804e913b11d732a57 [1,1,0,0,0,0|1,0,1]=4 1033 B10R1.21 O=CNCCc1ccco1 0b737060dc1ee55a5f0568ed4921621c [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.21 O=CNCCc1cccs1 fd1222ac3d0e2b6ccbfd32e31af9a8d7 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.21 O=CNCCc1ccsc1 40aeed6734dbe1c85d4189f6964d5072 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.21 O=CNCCc1cscn1 57421cd860fb5996df12d7b0a782b075 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.21 O=CNCCc1nccs1 a3ee9ddc95123af1d2954f4589596163 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.21 O=CNCCn1cccn1 da97265d2ac7d99f64b268331827132d [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.21 O=CNCCn1cncn1 63bce569c3f4b7b952d426a059e276e6 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.21 OCCCNc1c[nH]cn1 2de53448b514834c1715e8bdec519e9c [1,1,0,0,0,0|0,0,1]=3 1041 B10R1.21 OCCCNc1cocn1 66631e4f38136054e36eacbc38421a1b [1,1,0,0,0,0|1,0,1]=4 1042 B10R1.21 OCCCNc1cscn1 55aa9c9e9d91d92306ed9d031c8b037d [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.21 OCCCNc1nc[nH]n1 606a3e489ad71205e8729450512b1127 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.21 OCCNCc1c[nH]nn1 8e595553031991945677b7daa7b2f16d [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.21 OCCNCc1cc[nH]c1 1974eebb7f947b66ca2a4964cdd9e9e8 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.21 OCCNCc1cocn1 e359c236e63f935d4f4f6e8bf59c1865 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.21 OCCNCc1cscn1 d5fedcd4e1a219b8cbe9c9c0b9c2431e [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.21 OCNCCc1c[nH]cn1 c090f5b8a873a83e934d30ddd4325ed3 [1,1,0,0,0,0|0,0,1]=3 1049 B10R1.21 OCNCCc1cscn1 3b65d047d0401c4eb374c6dbd74a0aa0 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.21 SCCCOc1c[nH]cn1 46e5e015529b1766a49d3c6116b14de5 [1,1,0,0,0,0|0,1,1]=4 1051 B10R1.27 C=CC(C)Nc1c[nH]cn1 68d86ebc085dec35f4e746c6237f5d52 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.27 C=CC(C)Oc1c[nH]cn1 9488b57714e53286896fe2a9fc1134f6 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.27 CC(C=O)Nc1cocn1 9ac4d93bf008e63f4d37bf2d6180b1b6 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.27 CC(C=O)Nc1cscn1 2da053de65a74576e2262a4cc3b40abc [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.27 CC(C=O)Nc1nc[nH]n1 282020b679142e1bb7c226e31bf93321 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.27 CC(C=O)Oc1c[nH]cn1 4249bd45ba350bd0fa33a0e88c3c5cc7 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.27 CC(CO)Nc1c[nH]cn1 6eb72fdd51dd6b72bb521d8dfb245acb [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.27 C[C@@H](CO)Nc1c[nH]cn1 4d37ea81516d8b3a5ad800d13f38c6fc [1,1,0,0,0,0|1,0,1]=4 1059 B10R1.27 C[C@H](C=O)Nc1cocn1 061a03106c7b0df51349552a7f75dc87 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.27 C[C@H](C=O)Nc1cscn1 7d3dc5f92d4507eefd33615c83de3310 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.27 C[C@H](C=O)Nc1nc[nH]n1 672a3326a922247347cde4f8ddc980a9 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.27 C[C@H](C=O)Oc1c[nH]cn1 3008240e17e8d8e98552f9ec0856ca71 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.27 C[C@H](CO)Nc1c[nH]cn1 a9db3affd03815e8461b33aca9cef864 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.29 Cc1[nH]cnc1CNCO 383a42a231d818bd405b5f179f363340 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.29 Cc1ocnc1CNC=O abbdd86e924906b171a8f805fe760b5d [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.29 O=CCNc1ncsc1Br 6400f6296a43d170b6b063f3114bae49 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.29 O=CCNc1no[nH]c1=O 582418fc41289cd1b0b8998bc238faeb [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.54 CC(=O)Nc1cn(cn1)C 5abc563bc45dfec639fc07ed34752788 [0,1,0,0,1,0|2,0,0]=4 1069 B12R1.21 CC(=O)CNc1c[nH]c(=S)cn1 60ea46840b73989fb3d200ccf0796817 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.21 Cc1ccc(cn1)NCC(=O)O 58bb41a7876380d1226dd9fd2bd2a019 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.21 Cc1ccc(cn1)OCC(=O)O 12eb6b676eef622f5f2e7d8946a33456 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.21 Cc1ccc(nc1)NCC(=O)O 16ad7dfa06fb8a87f559fea40c29a6b3 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.21 Cc1ccc(nc1)OCC(=O)O 401776df19e31ac45d79bb09b4fc2086 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.21 Cc1ccc(nn1)NCC(=O)O ed5948c055aa4d89627b8fe8bbb6c899 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.21 Cc1ccc(nn1)OCC(=O)O 77f333ded0c9b2385d4d61e8c51514b6 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.21 Cc1cnc(cn1)NCC(=O)O 548bd8bbab86cd76fc3c77e5b9cb8e4a [0,1,0,0,0,1|1,0,1]=4 1077 B12R1.21 Cc1cnc(cn1)OCC(=O)O 7c90034f20ceaddb242ec7b3de0f5d49 [0,1,0,0,0,1|1,0,1]=4 1078 B12R1.21 Cc1cnc(nc1)NCC(=O)O d411ac7971f390cc11c63bad49df2135 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.21 Cc1cnc(nc1)OCC(=O)O 1a3c6acea44ccaeec515c3fcfacaeb7e [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.21 Cc1ncc(cn1)NCC(=O)O 4d52d9cc2c205166c00013ee7221ed6d [0,1,0,0,0,1|1,0,1]=4 1081 B12R1.21 Cc1ncc(cn1)OCC(=O)O fa93cb0745d728c1a9d5357d46e354ca [0,1,0,0,0,1|1,0,1]=4 1082 B12R1.21 NC(=O)CNc1c[nH]c(=S)cn1 bb5d5f17b0886d5aaa3b3d743d33a3a7 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.21 NC(=O)CNc1cnc(=O)[nH]c1 d0740b71d2c5c6dacaf914dac252b50f [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.21 O=C(O)CNc1ccc(=O)[nH]c1 d3ed6d07b274e6e1dc177aec27037938 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.21 O=C(O)CNc1ccc(cn1)Br 08413343e0ee097f66c9d63f1e7b599b [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.21 O=C(O)CNc1ccc(cn1)Cl c8ff8224e88db321497805314c743b08 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.21 O=C(O)CNc1ccc(cn1)F d2d8f806eb89f79bda747a9b5570be7a [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.21 O=C(O)CNc1ccc(cn1)I 037b8a8e37da7d32edfbdaa7874821a9 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.21 O=C(O)CNc1ccc(nc1)Br 2b883a06b5e94a86c2d638a54523f00b [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.21 O=C(O)CNc1ccc(nc1)Cl 151411d8ecfbbbbc6790b1b924901629 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.21 O=C(O)CNc1ccc(nc1)F a9157fb003fd0586c8e54b2b35f90be5 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.21 O=C(O)CNc1ccc(nc1)I 4dd66507ff5c64633d53c0986419a8c2 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.21 O=C(O)CNc1ccc(nn1)Br cba86d5c0fa8c2fab2d609d0399e1402 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.21 O=C(O)CNc1ccc(nn1)Cl 377f307d721409055a9e68b2436d0d40 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.21 O=C(O)CNc1ccc(nn1)F 646ab534c3bd26ecd61b9c416d3f2b6c [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.21 O=C(O)CNc1ccc(nn1)I b1182d7ec019570af2a55c5468659b78 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.21 O=C(O)CNc1cnc(=O)[nH]c1 f8ab09f32182712eae37d5c621ef1ca1 [0,1,0,0,0,1|1,0,0]=3 1098 B12R1.21 O=C(O)CNc1cnc(cn1)Br 9165b4615fee05d67c92bec13517d59e [0,1,0,0,0,1|1,0,1]=4 1099 B12R1.21 O=C(O)CNc1cnc(cn1)Cl 24d4464aa3223c0cd8ac31dc891e5d11 [0,1,0,0,0,1|1,0,1]=4 1100 B12R1.21 O=C(O)CNc1cnc(cn1)I 106b8539167244bdd752e36a79d38718 [0,1,0,0,0,1|1,0,1]=4 1101 B12R1.21 O=C(O)CNc1cnc(nc1)Br 31d7bcfbd9b3fe457f5f180cf100ad74 [0,1,0,0,0,1|1,0,1]=4 1102 B12R1.21 O=C(O)CNc1cnc(nc1)Cl d05e5d44d1e9896f31724acf45e17c62 [0,1,0,0,0,1|1,0,1]=4 1103 B12R1.21 O=C(O)CNc1cnc(nc1)I 99f4b37d0cd10c3ca7287a51ae42c59c [0,1,0,0,0,1|1,0,1]=4 1104 B12R1.21 O=C(O)CNc1ncc(cn1)Br 696a41769586a6809b6a219319fc4c0b [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.21 O=C(O)CNc1ncc(cn1)Cl a3e426e4ae64d61a83333815635d0b3c [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.21 O=C(O)CNc1ncc(cn1)F 73431d9be4ca89f9990e62ddbd91bace [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.21 O=C(O)CNc1ncc(cn1)I cfeed465c696dc169348aee41838232e [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.21 O=C(O)COc1ccc(cn1)Cl cf48e1e9b9aa13bd427b6e000a32fc1f [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.21 O=C(O)COc1ccc(cn1)F 3f470fa1fe9c5b090bde32fe8f6fbffb [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.21 O=C(O)COc1ccc(cn1)I ce7b34f91f6236f7c717d746c5fcfe8f [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.21 O=C(O)COc1ccc(nc1)Br 5a6a376d5c4d9f5b31a3150f18474250 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.21 O=C(O)COc1ccc(nc1)Cl 0816d2e7bdacde195549f4db419c0bb2 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.21 O=C(O)COc1ccc(nc1)F b6831ae789dcb9f8c168d4f4437daea6 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.21 O=C(O)COc1ccc(nc1)I 6d747b6a5c83b7fb5e7ef1d36e36551d [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.21 O=C(O)COc1ccc(nn1)Br 8ccd0d135998a4c7863f83cec6b0ec88 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.21 O=C(O)COc1ccc(nn1)Cl e843bc62111618fcc467638de75f59a4 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.21 O=C(O)COc1cnc(cn1)Br 12dcfeb2ab11c2b1bc87d15ce3f1030a [0,1,0,0,0,1|1,0,1]=4 1118 B12R1.21 O=C(O)COc1cnc(cn1)Cl 96bf2dfebac74593bbb0391d4a043168 [0,1,0,0,0,1|1,0,1]=4 1119 B12R1.21 O=C(O)COc1cnc(cn1)I 46c48659249505bccd7aa180fde0332c [0,1,0,0,0,1|1,0,1]=4 1120 B12R1.21 O=C(O)COc1cnc(nc1)Br 55b2e2879cbfd4c5c8343bea251482e2 [0,1,0,0,0,1|1,0,1]=4 1121 B12R1.21 O=C(O)COc1cnc(nc1)Cl 72a74ad6eb198f72e322ca0e5161bf96 [0,1,0,0,0,1|1,0,1]=4 1122 B12R1.21 O=C(O)COc1ncc(cn1)Br 922b55fc3f3ec6e9d997c8e72558bb6f [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.21 O=C(O)COc1ncc(cn1)F 5072a4f812367deabdb4ea962a58718f [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.21 O=C(O)COc1ncc(cn1)I 33f941186ff10711eb48798db969d8be [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.27 COC(=O)CNc1ccccn1 422ec05b49687667e2eb26080da1b005 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.27 COC(=O)CNc1cccnc1 bb8fa453cbe767f1bfa38300e2133b6f [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.27 COC(=O)CNc1cccnn1 e3fe85fcb804bff6501492672485587b [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.27 COC(=O)CNc1ccncn1 89567220a9f576dcce12a714da6edcc9 [0,1,0,0,0,1|1,0,1]=4 1129 B12R1.27 COC(=O)CNc1cnccn1 9ab7e38034cacb42b2d0dc4b8d5f1b98 [0,1,0,0,0,1|1,0,1]=4 1130 B12R1.27 COC(=O)CNc1cncnc1 c8a72bd510c192fa59fdd14c77a83f17 [0,1,0,0,0,1|1,0,1]=4 1131 B12R1.27 COC(=O)CNc1cncnn1 f123ce07fcae8210c64593d3a29e998f [0,1,0,0,0,1|1,0,1]=4 1132 B12R1.27 COC(=O)CNc1cnncn1 cf984d1d26d0adac5acf27eadcb52be3 [0,1,0,0,0,1|1,0,1]=4 1133 B12R1.27 COC(=O)CNc1ncccn1 50d45dc8d5d58c39241baacf707effe8 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.27 COC(=O)CNc1ncncn1 d0cd57d6a51432f1f2f5bf58f4672434 [0,1,0,0,0,1|1,0,1]=4 1135 B12R1.27 COC(=O)COc1ccccn1 b9320fa8fadd3b157619c972c855ab22 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.27 COC(=O)COc1cccnc1 4796298b812d84cf06b77d8bd60f9b41 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.27 COC(=O)COc1cnccn1 6e2ee09d9c1f5e1139c45fa3c46e2667 [0,1,0,0,0,1|1,0,1]=4 1138 B12R1.27 COC(=O)COc1cncnc1 8b3f6c1dba40f762a9affd4fbc4f68ef [0,1,0,0,0,1|1,0,1]=4 1139 B12R1.27 COC(=O)COc1cncnn1 38e0b6bb733b794b7d24a9766b32ec65 [0,1,0,0,0,1|1,0,1]=4 1140 B12R1.27 COC(=O)COc1ncccn1 aa6c463fc7911bd52e13761cf26287a2 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.27 O=C(CNc1ccccn1)NO be9d42adb21d4a69832949b9fc000cc0 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.27 O=C(CNc1cccnc1)NO 8a27a50468684c1595a33212cebac4a8 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.27 O=C(CNc1cccnn1)NO d37081ae7dc3e449b235910e37d9a4b7 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.27 O=C(CNc1ccncn1)NO 935af343186b17be6f3926b684059629 [0,1,0,0,0,1|1,0,1]=4 1145 B12R1.27 O=C(CNc1cnccn1)NO 9a20d6ac0d6e0931efec8b9b868af50f [0,1,0,0,0,1|1,0,1]=4 1146 B12R1.27 O=C(CNc1ncccn1)NO 22695183ecf84c06618670c0646222aa [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.27 O=C(CO)CNc1ccccn1 0c5a750a3ead3f0642560291fe4bd338 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.27 O=C(CO)CNc1cccnc1 2c6f296e217cf230fda521b9de841c22 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.27 O=C(CO)CNc1cccnn1 2512bc1226dbc4ae0ff66295da73ed4c [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.27 O=C(CO)CNc1ccncn1 cd1dd3982262b82f7191b0a9f51686db [0,1,0,0,0,1|1,0,1]=4 1151 B12R1.27 O=C(CO)CNc1cnccn1 ddbafa99792e97282c0c579f0b16284c [0,1,0,0,0,1|1,0,1]=4 1152 B12R1.27 O=C(CO)CNc1cncnc1 0b92bd0ddd8cb5390017254711a8ae64 [0,1,0,0,0,1|1,0,1]=4 1153 B12R1.27 O=C(CO)CNc1cnncn1 bf99307a90788b54e0b77cb77525308a [0,1,0,0,0,1|1,0,1]=4 1154 B12R1.27 O=C(CO)CNc1ncccn1 fb2e6117f7df8f34c4bbf6b23bc0657a [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.27 O=C(CO)CNc1ncncn1 97ada365a2d2a1b1c65a37bda0bf8cbd [0,1,0,0,0,1|1,0,1]=4 1156 B12R1.27 O=C(CO)NCc1ccccn1 76eb78e75930ec6892869074780cca40 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.27 O=C(CO)NCc1cccnc1 accc53643db8ccf06656b79e4c302034 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.27 O=C(CO)NCc1cccnn1 c7af8776b37791b5de368b369197b739 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.27 O=C(CO)NCc1ccncn1 05dd953bad7485a3c413d234f7d9ba89 [0,1,0,0,0,1|1,0,1]=4 1160 B12R1.27 O=C(CO)NCc1cnccn1 1f35d793bce8f5fd30db171aa631f8f9 [0,1,0,0,0,1|1,0,1]=4 1161 B12R1.27 O=C(CO)NCc1cncnc1 97c7fd60f7890452e7a6f80b4ce3ada7 [0,1,0,0,0,1|1,0,1]=4 1162 B12R1.27 O=C(CO)NCc1ncccn1 4206f48fceeee3fa8734c80623676221 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.43 CC(Nc1cccnc1)C(=O)O 659dd80270551d27c639c95faafb6472 [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)O f725611cd196ecb4e3173ce596f108d5 [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.43 C[C@H](Nc1cccnc1)C(=O)O dd8df90e032283b8c6411ff1e3f5a98a [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.43 O=C(O)C(F)Nc1cccnc1 455dc6c2ef68afd5d880209c8fe5a542 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.43 O=C(O)C(F)Nc1cccnn1 f394dd5a551efd4bee96370e6fbde208 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.43 O=C(O)C(F)Nc1ncccn1 1574e0139f1084470670410b30481458 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.43 O=C(O)[C@H](F)Nc1cccnc1 c741dd412e598c70d825973c9bcdacf7 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.43 O=C(O)[C@H](F)Nc1cccnn1 0db111dbbb3bffd53d95474b4b6fc8cc [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.43 O=C(O)[C@H](F)Nc1ncccn1 86b346581d38ce10f8ddc5d60cdeedf4 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.107 CN(CC(=O)O)c1ccccn1 b858050342c0cd6e6ffe7fc9ce59e005 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.107 CN(CC(=O)O)c1cccnc1 a068ea195e7c4e5a6506887dbd106203 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.107 CN(CC(=O)O)c1cccnn1 2466a0bed496bd9865c16398e66d11b2 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.107 CN(CC(=O)O)c1ccncn1 14aa860d39eaf198139ef69ddedd287a [0,1,0,0,0,1|1,0,1]=4 1176 B12R1.107 CN(CC(=O)O)c1cnccn1 a4e6a3bb02b65b7e5c40b30f763b92be [0,1,0,0,0,1|1,0,1]=4 1177 B12R1.107 CN(CC(=O)O)c1ncccn1 0a44343a55c45452a05c4187aa932ced [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.125 CC(=O)CNc1ncc[nH]c1=O 1a9c6342dfec1e52dad38f91cf29cd73 [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.125 Cc1cccnc1NCC(=O)O aa62158196eda69de6b627b630d107a1 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.125 Cc1cccnc1OCC(=O)O aef0cdc6fd504f26afc1037e6cae7a61 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.125 Cc1ccncc1NCC(=O)O b74d6ac8be1e4a78459e9da16f5f3206 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.125 Cc1ccncc1OCC(=O)O c9f7f26deae66f3e00c94bf2e816cdb9 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.125 Cc1ccnnc1NCC(=O)O a7df584753d8538bacf19d749e09a2b5 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.125 Cc1ccnnc1OCC(=O)O 5ecf581d8fcaf6ff264856dfcd26d2da [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.125 Cc1cncnc1NCC(=O)O 779fd766ca149abf7bd588c994d82a3d [0,1,0,0,0,1|1,0,1]=4 1186 B12R1.125 Cc1cncnc1OCC(=O)O c5fca522e85e70ea28c9c8745b2e6d93 [0,1,0,0,0,1|1,0,1]=4 1187 B12R1.125 Cc1ncccc1NCC(=O)O 99ba4086f189978e3a289f25f1ea81b6 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.125 Cc1ncccc1OCC(=O)O b0bee3c36496c286240b4779cb89137b [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.125 Cc1nccnc1NCC(=O)O ad84c9aa518839e35ec3379c06475f02 [0,1,0,0,0,1|1,0,1]=4 1190 B12R1.125 Cc1nccnc1OCC(=O)O a73bb3b3f8a70c3f62edc4638d8039d5 [0,1,0,0,0,1|1,0,1]=4 1191 B12R1.125 Cc1ncncc1NCC(=O)O 8d23235050a6fd26908119f8f3aa7fc5 [0,1,0,0,0,1|1,0,1]=4 1192 B12R1.125 Cc1ncncc1OCC(=O)O 33926b6eba4d27264343634ac329fd24 [0,1,0,0,0,1|1,0,1]=4 1193 B12R1.125 NC(=O)CNc1c[nH]cnc1=O 1ed52b30907ad2ee0eb316b98a4e6fdd [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.125 NC(=O)CNc1ncc[nH]c1=O d1e556bb80ec63da8b85a2748fa45a97 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.125 NC(=O)COc1c[nH]cnc1=O 567b946271943d902398cd08860185ad [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.125 O=C(O)CNc1c[nH]cnc1=O 8f933155611009027fce0d32f10af55b [0,1,0,0,0,1|1,0,0]=3 1197 B12R1.125 O=C(O)CNc1ccc[nH]c1=S bc93393ba08b7ace2515d6a1d845d9bd [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.125 O=C(O)CNc1cccnc1Br 8cb08701749d0830fa8266385dd12da0 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.125 O=C(O)CNc1cccnc1Cl 6e8c12bd715383f6d94fd75d0d785c9a [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.125 O=C(O)CNc1cccnc1F 6c8f6d2f355cfc245539d54d80451087 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.125 O=C(O)CNc1cccnc1I 2d86a074ce5788e1e1586753463c501f [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.125 O=C(O)CNc1ccn[nH]c1=O 81024147237cf90578973639f8558e93 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.125 O=C(O)CNc1ccn[nH]c1=S 10d681a802fab8be789082b643f9e17e [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.125 O=C(O)CNc1cnccc1Br a1d64713200b65fee2d8365a560faf8f [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.125 O=C(O)CNc1cnccc1Cl 2e20002c181ac9ece27f8e763e180410 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.125 O=C(O)CNc1cnccc1F b7b76774271024f4ebf30bf4b508fd12 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.125 O=C(O)CNc1cnccc1I e0947c6ae4d92f6b95e770f53cf255dd [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.125 O=C(O)CNc1cnccc1S ea3e8fce9d52b969c46363bacc5d7021 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.125 O=C(O)CNc1cncnc1Br 6acc7755ead099f05db4d8d5a9ed550b [0,1,0,0,0,1|1,0,1]=4 1210 B12R1.125 O=C(O)CNc1cncnc1Cl 5ff1d3f1eb1b3c6289cd1c117550b016 [0,1,0,0,0,1|1,0,1]=4 1211 B12R1.125 O=C(O)CNc1ncccc1Br 9ad9c05dfc0378e492023ba19a93c17c [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.125 O=C(O)CNc1ncccc1Cl 0a371beb3de0fc9972bbc2d367c26293 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.125 O=C(O)CNc1ncccc1F 7e2b18fa56a78607e167d047897e7cd5 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.125 O=C(O)CNc1ncccc1I 101c048a44fb5ca095ba100018a5010f [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.125 O=C(O)CNc1nccnc1Br 349f1e16b524f39c248632397f521573 [0,1,0,0,0,1|1,0,1]=4 1216 B12R1.125 O=C(O)CNc1nccnc1Cl 7b292149d9804f3f77cdb29308acb045 [0,1,0,0,0,1|1,0,1]=4 1217 B12R1.125 O=C(O)CNc1nccnc1I d25b7c45f2e5c140b7f6d4834bf43fea [0,1,0,0,0,1|1,0,1]=4 1218 B12R1.125 O=C(O)CNc1ncncc1Br 053677a418653f4fc34e9da6b7f5796e [0,1,0,0,0,1|1,0,1]=4 1219 B12R1.125 O=C(O)CNc1ncncc1Cl 8a3c63b3bb44cde7840f748ecbd61828 [0,1,0,0,0,1|1,0,1]=4 1220 B12R1.125 O=C(O)CNc1ncncc1F 00cb638ffdc834994ac4688af45c3f33 [0,1,0,0,0,1|1,0,1]=4 1221 B12R1.125 O=C(O)CNc1ncncc1I dbb1a621d59454a9ae183535228ce387 [0,1,0,0,0,1|1,0,1]=4 1222 B12R1.125 O=C(O)COc1c[nH]cnc1=O f194d45e879524f407f3694015c9f384 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.125 O=C(O)COc1ccc[nH]c1=S b687308e545781e8772590d02e603ef0 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.125 O=C(O)COc1cccnc1Br 8dc3e18e00f10ef6cd87f6c977d0e90e [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.125 O=C(O)COc1cccnc1Cl 766f4a33d90b6cf290ca7c2125685319 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.125 O=C(O)COc1cccnc1F f95c0593e0c115853416d7ceea454837 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.125 O=C(O)COc1cccnc1I c6cdb4b3c6728d988d68b32984252ada [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.125 O=C(O)COc1cnccc1Br 86d992641fba0990f277ae76452ecae3 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.125 O=C(O)COc1cnccc1Cl 70ddf959762740ebc0cfe33ba8e96712 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.125 O=C(O)COc1cnccc1F bd94a5fe6181365885e401df67f20928 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.125 O=C(O)COc1cnccc1I 608aa01d20018e75d39dfa5e3a401a36 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.125 O=C(O)COc1cncnc1I 36d132f13377a4b0c268443f33fdba6c [0,1,0,0,0,1|1,0,1]=4 1233 B12R1.125 O=C(O)COc1ncccc1Br 02a9bc860e0fc60f0b807d8997a49879 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.125 O=C(O)COc1ncccc1Cl 5fa65710b91420359b765c83bf56bea9 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.125 O=C(O)COc1ncccc1F 5b66b0c58a373fa1a3d6821a4622fe54 [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.125 O=C(O)COc1nccnc1Br 878351be5a2d99d4b42e9cda44fac69f [0,1,0,0,0,1|1,0,1]=4 1237 B12R1.125 O=C(O)COc1ncncc1Cl b3b10d67df0b95166ee99b9b6dc3e3ff [0,1,0,0,0,1|1,0,1]=4 1238 B12R1.125 O=C(O)COc1ncncc1F 1c43312af51e6b360729927c3eccc4e5 [0,1,0,0,0,1|1,0,1]=4 1239 B12R1.125 O=C(O)COc1ncncc1I 7514e0d935f3daa64c9daaeb50b622c2 [0,1,0,0,0,1|1,0,1]=4 1240 B12R1.125 O=C(O)COc1nnccc1Cl 164970357eed3702550708557a916b6a [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.125 O=C(O)COc1nnccc1I be1169357798d43157e58952cb3c4267 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.226 Cc1cc(ncn1)NCC(=O)O 69e5738e528a326d80d04ca72b878695 [0,1,0,0,0,1|1,0,1]=4 1243 B12R1.226 Cc1cc(ncn1)OCC(=O)O 2c7fa4a51aa33597511d7fe28944de97 [0,1,0,0,0,1|1,0,1]=4 1244 B12R1.226 Cc1cccc(n1)NCC(=O)O 508c5f1792285bd542230255ce96305d [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.226 Cc1cccc(n1)OCC(=O)O 2ac6a2949778ca5cc15d649f5fb5b1f6 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.226 Cc1ccnc(c1)NCC(=O)O 57b78656ff016cc57e314f1373920633 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.226 Cc1ccnc(c1)OCC(=O)O 9895fd91678c1e22da13883e3b2ed147 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.226 Cc1ccnc(n1)NCC(=O)O 7343a1e6999bf0df97eabc71a2daa13b [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.226 Cc1cncc(c1)NCC(=O)O 28f5cbe1a58803871305ff32c55a486d [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.226 Cc1cncc(c1)OCC(=O)O 7d49e97c3a786251fdef458543039d26 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.226 Cc1cncc(n1)NCC(=O)O 2d03624d211fe0246492df0834f9a476 [0,1,0,0,0,1|1,0,1]=4 1252 B12R1.226 Cc1cncc(n1)OCC(=O)O 3ebb5ade0c843fe34a7650724b5cff12 [0,1,0,0,0,1|1,0,1]=4 1253 B12R1.226 Cc1cnnc(c1)NCC(=O)O 89af15b58636308dc1097b99ca2712b1 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.226 Cc1nccc(n1)NCC(=O)O a05af2df4bda2b76ab7b2c40d4661917 [0,1,0,0,0,1|1,0,1]=4 1255 B12R1.226 Cc1nccc(n1)OCC(=O)O 1e461aba81431d8288223928aa78f5c5 [0,1,0,0,0,1|1,0,1]=4 1256 B12R1.226 Cc1nncc(n1)NCC(=O)O 90a796b6ad6259a8798cd5fbfdf53d1e [0,1,0,0,0,1|1,0,1]=4 1257 B12R1.226 NC(=O)CNc1cc[nH]c(=O)n1 0284301dbc8973036fff94bcdd68d5a1 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.226 NC(=O)CNc1cn[nH]c(=O)n1 48b65172869eeebbe2378d22737a3615 [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.226 NC(=O)CNc1nc[nH]c(=O)n1 5969c100309f640ffd29fae09d7d4d16 [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.226 O=C(O)CNc1cc(ccn1)Br 529ec9161610f756b394a870b64a80d6 [0,1,0,0,0,1|2,0,0]=4 1261 B12R1.226 O=C(O)CNc1cc(ccn1)Cl 4bbd91be8cd652cb7f62484596f0876c [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.226 O=C(O)CNc1cc(ccn1)F 9be2e87d5846d789a89f486e9f74c922 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.226 O=C(O)CNc1cc(ccn1)I 49c704fcd5c923b86552ea09df5776ab [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.226 O=C(O)CNc1cc(cnn1)Br 40603c7ce54ca261cabb344df6c0439d [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.226 O=C(O)CNc1cc(cnn1)Cl 9c30e36d3ecfeea1ef87c62353dabbf6 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.226 O=C(O)CNc1cc(ncn1)Br c35bde34966d9454fa6a7b791560e9cf [0,1,0,0,0,1|1,0,1]=4 1267 B12R1.226 O=C(O)CNc1cc(ncn1)Cl 2b0fa6223df6940bc362e4f10d24712e [0,1,0,0,0,1|1,0,1]=4 1268 B12R1.226 O=C(O)CNc1cc(ncn1)F 2f8badc13715949d8aca7b77c80c7fe6 [0,1,0,0,0,1|1,0,1]=4 1269 B12R1.226 O=C(O)CNc1cc(ncn1)I 45daf00a329f1e143dd3031cb467f433 [0,1,0,0,0,1|1,0,1]=4 1270 B12R1.226 O=C(O)CNc1cc[nH]c(=O)n1 5a028f9f2303a2e3b60990c8a8255b7e [0,1,0,0,0,1|1,0,0]=3 1271 B12R1.226 O=C(O)CNc1cc[nH]c(=S)c1 7a90ca8bd26c4bce26789d3b9b4e3dde [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.226 O=C(O)CNc1cccc(n1)Br ff5861b8b56d3be4bec0007ec2b43536 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.226 O=C(O)CNc1cccc(n1)Cl 861d071b89856b9cbad25c42e4f89008 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.226 O=C(O)CNc1cccc(n1)F 6641619ac8c83705994f4c60a24b50e3 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.226 O=C(O)CNc1cccc(n1)I 8a44af13721fc8fdfa1eb00836718316 [0,1,0,0,0,1|2,0,0]=4 1276 B12R1.226 O=C(O)CNc1ccnc(n1)Br c92e81180846717ea941e10cd705c0be [0,1,0,0,0,1|1,0,1]=4 1277 B12R1.226 O=C(O)CNc1ccnc(n1)Cl b1023da37c7b84761df7b126ef4e543c [0,1,0,0,0,1|1,0,1]=4 1278 B12R1.226 O=C(O)CNc1ccnc(n1)F 3f413803acd5caefb75e77dd5e0d9a5a [0,1,0,0,0,1|1,0,1]=4 1279 B12R1.226 O=C(O)CNc1ccnc(n1)S 1f56e602bec68562ebcad32e8165a4e5 [0,1,0,0,0,1|1,0,1]=4 1280 B12R1.226 O=C(O)CNc1cn[nH]c(=O)c1 6ac8977927a523de8f8df9d84c2187ef [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.226 O=C(O)CNc1cn[nH]c(=O)n1 6a21aa8891b9e8032604a2022db9eb7d [0,1,0,0,0,1|1,0,0]=3 1282 B12R1.226 O=C(O)CNc1cncc(c1)Br 23b8c25fc8dbab8e472a92af74696a93 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.226 O=C(O)CNc1cncc(c1)Cl b4fc4f5b9274fcc23d6a55519eba83fd [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.226 O=C(O)CNc1cncc(c1)F 23d68033e9bd833be5ae67ebc57c8f8b [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.226 O=C(O)CNc1cncc(c1)I bfa296daaf9202ff29934ffc20669449 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.226 O=C(O)CNc1cncc(n1)Br 0ad532744569d120856fbb32fed36170 [0,1,0,0,0,1|1,0,1]=4 1287 B12R1.226 O=C(O)CNc1cncc(n1)Cl 279b99a75cf6f18d7d3230c6ad727c0c [0,1,0,0,0,1|1,0,1]=4 1288 B12R1.226 O=C(O)CNc1cncc(n1)F 9c1dbb1d884b945164024a5723f70683 [0,1,0,0,0,1|1,0,1]=4 1289 B12R1.226 O=C(O)CNc1cnnc(n1)Cl 339f48ca1d3c2a28145af4c92d6bd6e4 [0,1,0,0,0,1|1,0,1]=4 1290 B12R1.226 O=C(O)CNc1nc[nH]c(=O)n1 612918c5f4c82d071610eeab8366d5b5 [0,1,0,0,0,1|1,0,0]=3 1291 B12R1.226 O=C(O)CNc1nccc(=O)[nH]1 85776bb56437f277bec0640fa31c35b9 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.226 O=C(O)CNc1nccc(n1)Br de2eb57db35632a5e675e865db061995 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.226 O=C(O)CNc1nccc(n1)Cl 0658cada924a24255fab3086286a4a3f [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.226 O=C(O)CNc1nccc(n1)F 553434d2ce3a8350856259fa509343c8 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.226 O=C(O)CNc1nccc(n1)I d6067665113927c8dab8c137ce52bb29 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.226 O=C(O)CNc1nccc(n1)S 8747c9d034ac6af270b4acd1adf53217 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.226 O=C(O)CNc1ncnc(n1)Cl 9ecddf7c344c141b2dd258c63f6deccb [0,1,0,0,0,1|1,0,1]=4 1298 B12R1.226 O=C(O)CNc1ncnc(n1)S a25ad59c7da21f0e2b1f16188ca5db39 [0,1,0,0,0,1|1,0,1]=4 1299 B12R1.226 O=C(O)COc1cc(ccn1)Br c56ab46460d9c5c74ab4957c5f0c3015 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.226 O=C(O)COc1cc(ccn1)Cl 51efa62c871d4b0ffe36590068602f3f [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.226 O=C(O)COc1cc(ccn1)F 5dfa9dde65f0079e43fefddfc3727d8b [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.226 O=C(O)COc1cc(ncn1)Br 44c9854d886b32e32584ec0ff5afa65a [0,1,0,0,0,1|1,0,1]=4 1303 B12R1.226 O=C(O)COc1cc(ncn1)Cl 18d6b48b9246d72bc2e4569e44da84bd [0,1,0,0,0,1|1,0,1]=4 1304 B12R1.226 O=C(O)COc1cccc(n1)Br 1c793cdd58262688c6a6a0710c6851cb [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.226 O=C(O)COc1cccc(n1)F b4af126648a921165e91d947825b968c [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.226 O=C(O)COc1ccnc(n1)Cl a595b3cd494555b3ad89dab234c74ff3 [0,1,0,0,0,1|1,0,1]=4 1307 B12R1.226 O=C(O)COc1cncc(c1)Cl cb19eb1a75b0b303ba641533b09c1560 [0,1,0,0,0,1|2,0,0]=4 1308 B12R1.226 O=C(O)COc1cncc(c1)F 48c51c334abb0e8b6f489185707988e3 [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.226 O=C(O)COc1cncc(c1)I 0eaca838c2b3bba2e01dbd3814f49cf2 [0,1,0,0,0,1|2,0,0]=4 1310 B12R1.226 O=C(O)COc1cncc(n1)Br 38eb61f1f66c1f4c008a801fe1b5ed33 [0,1,0,0,0,1|1,0,1]=4 1311 B12R1.226 O=C(O)COc1cncc(n1)Cl f968753b7d2195097b0d1e5b27785e5f [0,1,0,0,0,1|1,0,1]=4 1312 B12R1.226 O=C(O)COc1nccc(n1)Cl ddb03c0a060dece52b138a7b3e181cc1 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.226 O=C(O)COc1nccc(n1)S 959388667a2543a257ae70fdee4a3b33 [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.54 CC(NCC(=O)N)c1cscn1 a4ca849b3d82628c54428196c78dacb6 [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.54 CC(NCC(=O)O)c1cc[nH]n1 ffe53d68fe0135d23d5f8a312f731772 [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.54 CC(NCC(=O)O)c1ccco1 551a5ae64bc1aa1551a5133c7605b454 [0,1,0,0,0,1|2,0,0]=4 1317 B12R1.54 CC(NCC(=O)O)c1cccs1 781dd0417e7ecb7f86f8f64a17830d3b [0,1,0,0,0,1|2,0,0]=4 1318 B12R1.54 CC(NCC(=O)O)c1ccoc1 6f939bce50b95cbaf0a577b5f2b39022 [0,1,0,0,0,1|2,0,0]=4 1319 B12R1.54 CC(NCC(=O)O)c1ccon1 e2861af72bef5a00cbc8fd608a46a650 [0,1,0,0,0,1|2,0,0]=4 1320 B12R1.54 CC(NCC(=O)O)c1ccsc1 27db8444261f3bedafcab015bc23d450 [0,1,0,0,0,1|2,0,0]=4 1321 B12R1.54 CC(NCC(=O)O)c1cn[nH]c1 4e5a5d1d5a330fa384eaf7afde7d0ede [0,1,0,0,0,1|2,0,0]=4 1322 B12R1.54 CC(NCC(=O)O)c1cncs1 8706c1f66c2d50ba79c30120d549f9f7 [0,1,0,0,0,1|1,0,1]=4 1323 B12R1.54 CC(NCC(=O)O)c1cscn1 dd0da798e12ff5b82afef41b2d9c91ba [0,1,0,0,0,1|1,0,0]=3 1324 B12R1.54 CC(NCC(=O)O)c1ncco1 f4dceca5925827654646357406f9d822 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.54 CC(NCC(=O)O)c1nccs1 f10e11716e292dda6740aacad31f31d8 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.54 CC(OCC(=O)O)c1cc[nH]n1 158f2d701f7b81e296461f5f0d1b5d6d [0,1,0,0,0,1|2,0,0]=4 1327 B12R1.54 CC(OCC(=O)O)c1ccco1 e1b893df3f06a2c21df1c6ee9f70db06 [0,1,0,0,0,1|2,0,0]=4 1328 B12R1.54 CC(OCC(=O)O)c1cccs1 4c1d92e6d18c1bd3848a5dc3b21bc1d2 [0,1,0,0,0,1|2,0,0]=4 1329 B12R1.54 CC(OCC(=O)O)c1ccoc1 2ca6ab414b63951000b09bc8fe235842 [0,1,0,0,0,1|2,0,0]=4 1330 B12R1.54 CC(OCC(=O)O)c1ccsc1 90c6bea05ed5c424d5427f9d8e3c0293 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.54 CC(OCC(=O)O)c1cn[nH]c1 dda73f686ed6203da055e5c29dc5aa61 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.54 CC(OCC(=O)O)c1cncs1 eab70ea8ce8dc17e95a2ab608ea032e4 [0,1,0,0,0,1|1,0,1]=4 1333 B12R1.54 CC(OCC(=O)O)c1ncc[nH]1 488c852dc1067109ffa8fa2fa126a166 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.54 CC(OCC(=O)O)c1ncco1 c02ec97102a339e7cd81ca9b914cc365 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.54 CC(OCC(=O)O)c1nccs1 b2bc26a280eb3f3c58ec9c645754bc38 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.54 CN(CCC(=O)O)c1cc[nH]n1 64fa4156ad2e9057bf1665acb06df695 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.54 CN(CCC(=O)O)c1ccon1 356ce1fa2f6fa66989bdd99cf6d6db4c [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.54 CN(CCC(=O)O)c1ccsc1 a62a874e977f824d4ed76702c7060b4f [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.54 CN(CCC(=O)O)c1ccsn1 be627f2fcf1fbb8072d5b01a8c6f100b [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.54 CN(CCC(=O)O)c1cnsn1 83c636d38a49f8f8f36ad3a6e741e43f [0,1,0,0,0,1|1,0,1]=4 1341 B12R1.54 CN(CCC(=O)O)c1ncco1 78545a13cd266f47f16a52514b5ea264 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.54 CN(CCC(=O)O)c1nccs1 4c4e794ea25f8569938bcf54f5ca6c6a [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.54 C[C@@H](NCC(=O)O)c1ccco1 baa4be98371dbe86dd2ea9b78b1ecd76 [0,1,0,0,0,1|2,0,0]=4 1344 B12R1.54 C[C@@H](NCC(=O)O)c1cccs1 80106738b47ab62e7e4081dcdfeb829f [0,1,0,0,0,1|2,0,0]=4 1345 B12R1.54 C[C@@H](OCC(=O)O)c1ccco1 ce6ad5d380ace876e3e2d1f8389170f2 [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.54 C[C@@H](OCC(=O)O)c1cccs1 5a90eb0380ce7e6e82b66ff4f8103f5e [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.54 C[C@@H](OCC(=O)O)c1nccs1 b8bcc53a9a98f1782d17eaa86e4d53c5 [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.54 C[C@H](NCC(=O)O)c1cccs1 9385098076b448cc42e1247f5925921b [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.54 C[C@H](NCC(=O)O)c1ccoc1 08c4d0cc8aec6bd84bd6554b17eb4c51 [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.54 C[C@H](NCC(=O)O)c1ccsc1 b24ba0e501dcf9803baf9da588cb7f58 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.54 C[C@H](NCC(=O)O)c1cncs1 5c2845ded1b4f398964bb8cb4f1db4aa [0,1,0,0,0,1|1,0,1]=4 1352 B12R1.54 C[C@H](NCC(=O)O)c1nccs1 ff1d70467cb76507308a249aec960917 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.54 C[C@H](OCC(=O)O)c1cccs1 bb3663bf871402bbe7efa7a78fcf2fa7 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.54 C[C@H](OCC(=O)O)c1nccs1 a68bec35ee892ac8e86455ef56924250 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.105 C=C(Br)CNCc1c[nH]c(n1)C a39b415bcceb592a5a4889f2081bdd5b [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.105 C=C(Br)CNCc1cn(cn1)C e164da508e6903db7e3863ac881d5a17 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.105 C=C(Br)COCc1c[nH]c(n1)C cb2ad5cd175a1b54c4f84510af90fbaf [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.105 C=C(Br)COCc1cn(cn1)C 1c63a5ac5fdf742c475b21f1e2ae2cb9 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.105 C=C(C)CCNc1cn(cn1)C d4915bb799db8984a37cb8a8e221db71 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.105 C=C(C)CNCc1c[nH]c(n1)C 57f02fe956a81b6afc6728b3c14e4e26 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.105 C=C(C)CNCc1cn(cn1)C 6296e622e8bfc36f9a2bdae1f5d1daee [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.105 C=C(C)COCc1c[nH]c(n1)C 0d91a513e1475242c2cd508aa6355c13 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.105 C=C(C)COCc1cn(cn1)C 0a1ef813b0f0c456b4ad050805f30df5 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.105 C=C(Cl)CNCc1c[nH]c(n1)C fcafcc02dafb475e04f673ffe21a1994 [0,1,0,0,0,1|2,0,0]=4 1365 B12R1.105 C=C(Cl)CNCc1cn(cn1)C 460fec3f5fcc05a2edc8abdf92860ab6 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.105 C=C(Cl)COCc1c[nH]c(n1)C 15ae8677c9cd69c8aaecd2ecf2fccfa5 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.105 C=C(Cl)COCc1cn(cn1)C e153b1eff809dae781a93cab44c74b7a [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.105 C=C(F)CNCc1c[nH]c(n1)C fd516d78f5cc693ffb9b2726d3ce6c69 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.105 C=C(F)CNCc1cn(cn1)C f67b29f4858f1dc2835d6f6ae66746f4 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.105 C=C(F)COCc1c[nH]c(n1)C d62cddd6bedbba1a37eb995b320663b6 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.105 C=C(F)COCc1cn(cn1)C db944a44119a85fd763a32d9636c3fe4 [0,1,0,0,0,1|2,0,0]=4 1372 B12R1.105 CC(=O)CCNc1cn(cn1)C 5b8750d526c1aeae6d3de6ae65681707 [0,1,0,0,0,1|1,0,0]=3 1373 B12R1.105 CC(=O)CCNc1cn(nn1)C f61819999cc940bcc523c642726e2aad [0,1,0,0,0,1|2,0,0]=4 1374 B12R1.105 CC(=O)CCNc1csc(n1)Br e4ea5353d1686ec524a6b384ed907b0d [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.105 CC(=O)CCNc1n[nH]c(n1)Br b018a1f6120588912ed0856259f19ff1 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.105 CC(=O)CCNc1n[nH]c(n1)S 78e9e67e1043252ef91c9d307160d014 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.105 CC(=O)CCNc1ncn(n1)C 4abcb465c01ec41de8c40213438f090d [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.105 CC(=O)CCOc1n[nH]c(n1)C 73bf0bf6c1c882ca9805ed01b63160eb [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.105 CC(=O)CNCc1coc(n1)C 3ab839409e269e253890925eb86f034a [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.105 CC(=O)CNCc1csc(n1)Br db7f7fd8014ca4cabb39cb62065c957f [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.105 CC(=O)CNCc1csc(n1)C 57e136de7b71c92ebddcfd7a939a2a8b [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.105 CC(=O)CNCc1csc(n1)Cl 88d8120c264ac2acccd02c9f488dceef [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.105 CC(=O)CNCc1ncn(n1)C fab0709ed2b0c29ffafc91f2d6033331 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.105 CC(=O)COCc1coc(n1)C e5872e41b060ee1aa5f922c37a0264de [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.105 CC(=O)COCc1csc(n1)Br f3d702eb8b7a08d53c9d8f1b47fdc22b [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.105 CC(=O)COCc1csc(n1)C f47e26eab2f834121aa0fd280fb82c1c [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.105 CC(=O)COCc1csc(n1)Cl 942d1cc90ba3890ea5bf44b51698d8db [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.105 CC(=O)COCc1ncn(n1)C b964510607bdb783f07d1a9f52031c4e [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.105 CC(=O)NCCc1cn(cn1)C e5015f70dba55b454bf0975551da242b [0,1,0,0,0,1|1,0,0]=3 1390 B12R1.105 CC(=O)NCCc1cn(nn1)C 17460ec39ea568ac71b036867507fc45 [0,1,0,0,0,1|2,0,0]=4 1391 B12R1.105 CC(=O)NCCc1csc(n1)C 544225d27bd7978bbe77eee23c436407 [0,1,0,0,0,1|2,0,0]=4 1392 B12R1.105 CC(=O)OCNc1cn(cn1)C 451a7d386afb0d792aa39faa92590d48 [0,1,0,0,0,1|2,0,0]=4 1393 B12R1.105 CC(O)CCNc1c[nH]c(n1)N 0de3e38937b9be6d6335de11572bf3a0 [0,1,0,0,0,1|1,0,1]=4 1394 B12R1.105 CC(O)CCNc1cn(cn1)C e05e8e0274dedd267654329bbcd08d15 [0,1,0,0,0,1|1,0,1]=4 1395 B12R1.105 CC(O)CNCc1cn(cn1)C 0e1be2586dd60b17133fbdfe82f189e5 [0,1,0,0,0,1|1,0,1]=4 1396 B12R1.105 CS(=O)CCNc1c[nH]c(n1)N 6efeea2271a0cbd7d59f503ab75dd0a6 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.105 C[C@@H](O)CCNc1c[nH]c(n1)N 6404e6cd0faeabd5f647152a69cc384e [0,1,0,0,0,1|1,0,1]=4 1398 B12R1.105 C[C@@H](O)CCNc1cn(cn1)C 457b0c3c6f97c96dc6291f77d4c4fb1a [0,1,0,0,0,1|1,0,1]=4 1399 B12R1.105 C[C@@H](O)CNCc1cn(cn1)C c44e87530f39a8bdab569055ed141e5e [0,1,0,0,0,1|1,0,1]=4 1400 B12R1.105 C[C@H](O)CCNc1c[nH]c(n1)N 815d0162c117dbaf4e43a6c0f090a8d5 [0,1,0,0,0,1|1,0,1]=4 1401 B12R1.105 C[C@H](O)CCNc1cn(cn1)C 12aa237af70f296b3d8c07abda99165a [0,1,0,0,0,1|1,0,1]=4 1402 B12R1.105 C[C@H](O)CNCc1cn(cn1)C d59096b92a4774314ca42e07f335ba91 [0,1,0,0,0,1|1,0,1]=4 1403 B12R1.105 Cc1c[nH]c(n1)COCC(=O)O f5edce3f34060b3edddd088ea06cce9e [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.105 Cc1cc(cs1)CNCC(=O)O a9f1452f2ef1355c1f1dafe43f0429ed [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.105 Cc1cc(cs1)COCC(=O)O c3c9bf0a02058bc4f862a27bd4b37c5e [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.105 Cc1cc(n[nH]1)NCCC(=O)O b510cce4a59fbc0bc3726069859e4a3f [0,1,0,0,0,1|2,0,0]=4 1407 B12R1.105 Cc1cc(no1)CNCC(=O)O 258014c1ea03579cd29c5885d39a8699 [0,1,0,0,0,1|2,0,0]=4 1408 B12R1.105 Cc1cc(no1)COCC(=O)O 1854e7f9c5f7412556d349886c66a4ed [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.105 Cc1cc(no1)NCCC(=O)O 4a29d17adf1727fc3d460e6ed19f2c4c [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.105 Cc1cc(ns1)COCC(=O)O 2d71ef43d95e7da20a7b515723931f53 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.105 Cc1ccc(o1)CNCC(=O)O a8309b50dabd01a06985c91452f319e8 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.105 Cc1ccc(o1)COCC(=O)O 691f5f2b1306a7838c51ce93440209d8 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.105 Cc1ccc(o1)NCCC(=O)O 76eb15bd41e6481f3ec09a45ac5cef75 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.105 Cc1ccc(s1)CNCC(=O)O eae60aa7f345f6b3c75a8efd91746652 [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.105 Cc1ccc(s1)COCC(=O)O 02ea2fc993c29d96bc634b15ae8ef9b1 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.105 Cc1ccc(s1)NCCC(=O)O e5ef9fa164179b5a519a37e966184ee6 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.105 Cc1cnc([nH]1)NCCC(=O)O 58f94951be48aef554ac7c2548aa35bb [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.105 Cc1cnc(o1)CNCC(=O)O 47bd5ad4b1a4a4a657e31c3cfce7e64c [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.105 Cc1cnc(o1)NCCC(=O)O 7d126016e1d69f9dfd7691d36474dd78 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.105 Cc1cnc(s1)CNCC(=O)O 7e9d812078d46159e860f1a010054b63 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.105 Cc1cnc(s1)COCC(=O)O 836ee19eb65b3bd6faaa18fe68bc2f8b [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.105 Cc1coc(c1)CNCC(=O)O e0bd6c70eed7f2ded747dc702a365699 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.105 Cc1coc(n1)CNCC(=O)O 892df539fd4b34f33ab94f62e7ada111 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.105 Cc1coc(n1)NCCC(=O)O d621845c8296cddd18f6fcab2fc420f5 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.105 Cc1csc(c1)CNCC(=O)O f7a63357b85ccd5990d8a95f31c2ba29 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.105 Cc1csc(c1)COCC(=O)O e86403df91b4469d940b5ed847ae9c59 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.105 Cc1csc(n1)CNCC(=O)O 5a8d3d1e96da0c21aa847edac51f3fd8 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.105 Cc1csc(n1)COCC(=O)O dc590775d2a3e02284ee07b7653f85e0 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.105 Cc1csc(n1)NCCC(=O)O 0b4fe884d9d34510b5b5993576be90c1 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.105 Cc1n[nH]c(n1)COCC(=O)O 946f976b8a287ad96622e8cce5ce7c39 [0,1,0,0,0,1|1,0,1]=4 1431 B12R1.105 Cc1n[nH]c(n1)NCCC(=O)O ee047a400f883991d6e53e11f6a2fae3 [0,1,0,0,0,1|1,0,1]=4 1432 B12R1.105 Cc1nc(c[nH]1)CNCC(=O)N 2b62e6e94d794c9638c1e758556c6989 [0,1,0,0,0,1|1,0,0]=3 1433 B12R1.105 Cc1nc(c[nH]1)CNCC(=O)O 0a71b7fc1ed30f0c4eed10c288a62c8d [0,1,0,0,0,1|0,0,0]=2 1434 B12R1.105 Cc1nc(c[nH]1)CNCC(C)O 72cb26a2325c2ff13eb8f61ce3719a28 [0,1,0,0,0,1|1,0,1]=4 1435 B12R1.105 Cc1nc(c[nH]1)CNC[C@@H](C)O 804f4ac761faa35e79ac4628c8f97f2f [0,1,0,0,0,1|1,0,1]=4 1436 B12R1.105 Cc1nc(c[nH]1)CNC[C@H](C)O ce4cf26830133ff25a346186e21062e4 [0,1,0,0,0,1|1,0,1]=4 1437 B12R1.105 Cc1nc(c[nH]1)CNC[N+](=O)[O-] a9a3eee6f75ea7d18002942f29a438bf [0,1,0,0,0,1|1,0,1]=4 1438 B12R1.105 Cc1nc(c[nH]1)COCC(=O)N d8517d7d54f8f8b21a8574077f937d44 [0,1,0,0,0,1|1,0,0]=3 1439 B12R1.105 Cc1nc(c[nH]1)COCC(=O)O 7fe638a0649682f3baa3e6df68ae54f6 [0,1,0,0,0,1|0,0,0]=2 1440 B12R1.105 Cc1nc(c[nH]1)COC[N+](=O)[O-] 886450adc9c4122976470582b1fca8d4 [0,1,0,0,0,1|1,0,1]=4 1441 B12R1.105 Cc1nc(co1)CNCC(=O)N a6d66af0ebfa48601c913befb13c52a0 [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.105 Cc1nc(co1)CNCC(=O)O 5947729114ce6c13d96dc1721fde20d9 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.105 Cc1nc(co1)COCC(=O)N 49d19b6dca0ff830ef0ccb7e78ee4149 [0,1,0,0,0,1|2,0,0]=4 1444 B12R1.105 Cc1nc(co1)COCC(=O)O 98477e44c0b0aaaef6509b847af79c99 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.105 Cc1nc(co1)COCS(=O)O 23a9e06e71849bad9bd84fb0925f5c1e [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.105 Cc1nc(cs1)CNCC(=O)N a532ebb2369598ce0f2afaf153189a30 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.105 Cc1nc(cs1)CNCC(=O)O de4865533ad77db158a0f706098b3032 [0,1,0,0,0,1|1,0,0]=3 1448 B12R1.105 Cc1nc(cs1)COCC(=O)N 136b06270432e0728f4481c148f98a10 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.105 Cc1nc(cs1)COCC(=O)O 13e11ed5765c871230ac1fb7f18293be [0,1,0,0,0,1|1,0,0]=3 1450 B12R1.105 Cc1nc(cs1)COCS(=O)O 981c2df98eee31f4e4e1dabf21f72f7f [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.105 Cc1nc(n[nH]1)OCCC(=O)N 416ced8292300ee6c90156b3399cc335 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.105 Cc1nc(n[nH]1)OCCC(=O)O 3d751e349fd66632f1883602e6f5c0d4 [0,1,0,0,0,1|1,0,0]=3 1453 B12R1.105 Cc1nc(no1)CNCC(=O)O 9e08b50e5152d4f3efde106b36647ee3 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.105 Cc1nc(no1)COCC(=O)O 40286218308ebba693a5a9cce84339b3 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.105 Cc1nc(ns1)NCCC(=O)O 2fca61884b5d3dc3005fe14299a81d7c [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.105 Cc1ncc(o1)NCCC(=O)O 077a8f89431f4ad086114ea120a34fed [0,1,0,0,0,1|1,0,1]=4 1457 B12R1.105 Cc1ncc(s1)CNCC(=O)O 2ed57c638f061ddcb2437a18e390b287 [0,1,0,0,0,1|1,0,1]=4 1458 B12R1.105 Cc1ncc(s1)COCC(=O)O 23a17eef5fe3015e5333e1b17649d67b [0,1,0,0,0,1|1,0,1]=4 1459 B12R1.105 Cc1ncc(s1)NCCC(=O)O a18c7465ea50356a1faf5a9989d55e3c [0,1,0,0,0,1|1,0,1]=4 1460 B12R1.105 Cc1noc(n1)CNCC(=O)O 3b40e859a71e46662eff9732f078ed10 [0,1,0,0,0,1|1,0,1]=4 1461 B12R1.105 Cc1noc(n1)COCC(=O)O 291f747ffb6327e1543f66f282e07176 [0,1,0,0,0,1|1,0,1]=4 1462 B12R1.105 Cc1noc(n1)NCCC(=O)O 38903a581075664240ad5925f62f1b39 [0,1,0,0,0,1|1,0,1]=4 1463 B12R1.105 Cc1noc(n1)OCCC(=O)O 1304f7cdbc69783d9a66df07dcf37c00 [0,1,0,0,0,1|1,0,1]=4 1464 B12R1.105 Cc1nsc(n1)COCC(=O)O f8567977fba783267f6e4bc281463d49 [0,1,0,0,0,1|1,0,1]=4 1465 B12R1.105 Cn1cc(cn1)CNCC(=O)O e3b5052d85128b05bbf480e7d8141cf1 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.105 Cn1cc(cn1)COCC(=O)O a441fe8062d45fdea1374aa6e707419a [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.105 Cn1cc(cn1)NCCC(=O)O 5dd1a1f5f652108e89f34d6c50511669 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.105 Cn1cc(cn1)OCCC(=O)O 33e7913c3a05786ca19758e333b54224 [0,1,0,0,0,1|2,0,0]=4 1469 B12R1.105 Cn1cc(nn1)CNCC(=O)N 5e17c8380eaa51d4ad95d867b7e76270 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.105 Cn1cc(nn1)CNCC(=O)O aeb0804cecd7173e5f8c201e94392de9 [0,1,0,0,0,1|1,0,0]=3 1471 B12R1.105 Cn1cc(nn1)COCC(=O)N 02f33aa6d97702c1f51c4e474cb5ca91 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.105 Cn1cc(nn1)COCC(=O)O 4ffffc8b4e4064acf1d3c750d44c2f1a [0,1,0,0,0,1|1,0,0]=3 1473 B12R1.105 Cn1cc(nn1)NCCC(=O)N 768653deedc758232e0a956a950fecb4 [0,1,0,0,0,1|2,0,0]=4 1474 B12R1.105 Cn1cc(nn1)NCCC(=O)O 559f48c0d479e9e41e371f5519177cec [0,1,0,0,0,1|1,0,0]=3 1475 B12R1.105 Cn1ccc(c1)COCC(=O)N 11732f7d7a14e886ff22c5faca371248 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.105 Cn1ccc(c1)COCC(=O)O 080541cb23da6078fa62a5633b4fd526 [0,1,0,0,0,1|1,0,0]=3 1477 B12R1.105 Cn1ccc(c1)NCCS(=O)O a759e399b9c2660a839862377fa57234 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.105 Cn1ccc(n1)CNCC(=O)O b1db32c5cc05ccea8c2ea34a85b790c9 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.105 Cn1ccc(n1)COCC(=O)O 1c16ef932b723d38c99b2b3367101de1 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.105 Cn1ccc(n1)NCCC(=O)O 778798008b56897f35d65bd893de3306 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.105 Cn1ccc(n1)OCCC(=O)O 3ae0ffb134a18770e361185489e1b834 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.105 Cn1cnc(c1)CNCC(=O)N 274917a53112d18839d77f3fcb2b4600 [0,1,0,0,0,1|1,0,0]=3 1483 B12R1.105 Cn1cnc(c1)CNCC(=O)O c0c37563b4485f4de4cc8e33261e70a0 [0,1,0,0,0,1|0,0,0]=2 1484 B12R1.105 Cn1cnc(c1)CNC[N+](=O)[O-] 2af6a6375d8c7893a146f60d8bf63ac1 [0,1,0,0,0,1|1,0,1]=4 1485 B12R1.105 Cn1cnc(c1)COCC(=O)N 0df1f6d5271afe013c112f6b2e3a0f50 [0,1,0,0,0,1|1,0,0]=3 1486 B12R1.105 Cn1cnc(c1)COCC(=O)O c64b2fe9a9609091a8f8d868ad65ce4c [0,1,0,0,0,1|0,0,0]=2 1487 B12R1.105 Cn1cnc(c1)COC[N+](=O)[O-] 8539b96bb466fed011842433a541db8a [0,1,0,0,0,1|1,0,1]=4 1488 B12R1.105 Cn1cnc(c1)NCCC(=O)N 7a36ab9297695aecd0b65776626d8a1d [0,1,0,0,0,1|1,0,0]=3 1489 B12R1.105 Cn1cnc(c1)NCCC(=O)O a5415d89575384bc8bb40f8ab047ca6c [0,1,0,0,0,1|0,0,0]=2 1490 B12R1.105 Cn1cnc(c1)NCCC(=S)N 269425e2b1c6397f1c330be03f6d2826 [0,1,0,0,0,1|1,1,0]=4 1491 B12R1.105 Cn1cnc(c1)NCCS(=O)C 1dd7b7b95416c55f736a8c137cae9219 [0,1,0,0,0,1|2,0,0]=4 1492 B12R1.105 Cn1cnc(c1)NCCS(=O)O 147913b82e15e1da0a069b56d9813fbf [0,1,0,0,0,1|1,0,0]=3 1493 B12R1.105 Cn1cnc(c1)NCSC(=O)N e672e67bd26d2f88ce7151bf0ee66d62 [0,1,0,0,0,1|2,0,0]=4 1494 B12R1.105 Cn1cnc(n1)CNCC(=O)N 8548e17016f06088e5bc5ba8596c3e76 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.105 Cn1cnc(n1)CNCC(=O)O dcc0b8ea6aa81451c62677a1e9efe434 [0,1,0,0,0,1|1,0,0]=3 1496 B12R1.105 Cn1cnc(n1)COCC(=O)N ab8585f305d91491f86718938968796b [0,1,0,0,0,1|2,0,0]=4 1497 B12R1.105 Cn1cnc(n1)COCC(=O)O eda0f57a5c5c0fcf16a705d9ee4feab5 [0,1,0,0,0,1|1,0,0]=3 1498 B12R1.105 Cn1cnc(n1)NCCC(=O)N 4d0c07c75f8074c30051500779526f60 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.105 Cn1ncc(n1)CNCC(=O)O 97d56d7bc621ab4548a511eaff388be1 [0,1,0,0,0,1|1,0,1]=4 1500 B12R1.105 Cn1ncc(n1)COCC(=O)O 797530890803fa50f5f96ab060e65edd [0,1,0,0,0,1|1,0,1]=4 1501 B12R1.105 Cn1ncc(n1)NCCC(=O)O 8d5bad8bca4b83b529dd9ab05b45f263 [0,1,0,0,0,1|1,0,1]=4 1502 B12R1.105 Cn1nnc(n1)COCC(=O)O f46429bb0922a44f08b3a3ca490a9fd0 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.105 Cn1nnc(n1)NCCC(=O)O 37c8757c026806985fcf7b27500f5cc8 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.105 NC(=O)CCNc1c[nH]c(n1)N 566361de97db7305812dd9f5bb79a182 [0,1,0,0,0,1|1,0,0]=3 1505 B12R1.105 NC(=O)CCNc1coc(n1)N 23a95fe46970373702f00cdee70bc5ee [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.105 NC(=O)CCNc1csc(n1)Br b419ce095c9a1eeda50891c2d9a01b43 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.105 NC(=O)CCNc1csc(n1)N 05ada1dee14b622640c216eead9867f6 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.105 NC(=O)CCNc1n[nH]c(n1)Br 227895b14fa5746f907712d696f092d6 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.105 NC(=O)CCNc1n[nH]c(n1)S df684896fe79cc5de196dbc0f4b7fab8 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.105 NC(=O)CNCc1csc(n1)Br 5c330c4f0207ee560167fc2e5bc6ed1e [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.105 NC(=O)CNCc1csc(n1)Cl 92df4851c1118eee18b7ed37d29bd6f9 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.105 NC(=O)COCc1coc(n1)Br ead7a8bbdc3662297d67e2ae3899cac1 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.105 NC(=O)COCc1coc(n1)Cl f53b1d7ccb17c3d24c175a2ca38f2f75 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.105 NC(=O)COCc1csc(n1)Br 773eee70145fcdddd905171382679479 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.105 NC(=O)COCc1csc(n1)Cl 83fae2fbfd97bc54686f28cd67e85fd8 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.105 NC(=O)COCc1nc(=S)[nH][nH]1 8f060cfc7692bf3a187a1989ad72c736 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.105 NC(=S)CCNc1c[nH]c(n1)N 87324090c961899ca9d6fa65b14b6290 [0,1,0,0,0,1|1,1,0]=4 1518 B12R1.105 Nc1nc(c[nH]1)NCCS(=O)O 18e38bac8937d4d69735a83ad9c17cf8 [0,1,0,0,0,1|1,0,0]=3 1519 B12R1.105 Nc1nc(co1)NCCC(=O)O ab37246d1db93fd0150e738353d90fcb [0,1,0,0,0,1|1,0,0]=3 1520 B12R1.105 Nc1nc(co1)NCCS(=O)O b42c9a13b61e6ba5cdad5ac64a9bc71e [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.105 Nc1nc(cs1)NCCS(=O)O 15bd2575b8c95fc9f27e07c93a0cb5d4 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.105 O=C(O)CCNc1cc(=O)[nH]o1 bb2c213aefcb88b50060ac80b4ab7f80 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.105 O=C(O)CCNc1cc([nH]n1)Br 8c85c4210072b8075080d19c28b15cda [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.105 O=C(O)CCNc1cc([nH]n1)F 061f0614a458e63c802ca91e0c606e0c [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.105 O=C(O)CCNc1ccc(s1)Br d740db04f681eee44731d025ce3af000 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.105 O=C(O)CCNc1ccc(s1)F d4ab6a183aaaaf93a4fe3afc76c8fdf2 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.105 O=C(O)CCNc1cnc(s1)Br a0a908aa2a93ccff2eb4b904d7a3a37f [0,1,0,0,0,1|1,0,1]=4 1528 B12R1.105 O=C(O)CCNc1csc(n1)Br fa82747e235d8d57c9633244bd4ee604 [0,1,0,0,0,1|1,0,0]=3 1529 B12R1.105 O=C(O)CCNc1n[nH]c(=O)[nH]1 0aa4916360ad5de23ec3f6888fa2d731 [0,1,0,0,0,1|1,0,1]=4 1530 B12R1.105 O=C(O)CCNc1n[nH]c(n1)Br 549e9583465d12af15b1504b354ed148 [0,1,0,0,0,1|1,0,0]=3 1531 B12R1.105 O=C(O)CCNc1nc(=S)ss1 a8cffe257a697025dcd28172110589c3 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.105 O=C(O)CCNc1nc(co1)Br eab87b2d6a443e28626ff654d338a80d [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.105 O=C(O)CCNc1nc(cs1)Cl fd53300e0ad42950ddc5e34b86009f4a [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.105 O=C(O)CCNc1nc(n[nH]1)Cl 0a0dbf35c954713c53b2cb573467e258 [0,1,0,0,0,1|1,0,1]=4 1535 B12R1.105 O=C(O)CCNc1nc(ns1)Cl 3617b97fdf734c4762b011a38f1afe5b [0,1,0,0,0,1|1,0,1]=4 1536 B12R1.105 O=C(O)CCNc1ncc(s1)Br 75f3eb5f3ef99ed80bff49423374e8b1 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.105 O=C(O)CCNc1ncc(s1)Cl d5bc709feb1472952f02dd8bf7c5e215 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.105 O=C(O)CCOC1=CC(=O)NC1 c8a72a4d211e0622edc9b1f4e05fe332 [0,1,0,0,0,1|1,0,1]=4 1539 B12R1.105 O=C(O)CCOC1=COC(=O)C1 64a6776409c9e693be5c2bd2e40a3215 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.105 O=C(O)CCOc1nc(n[nH]1)Br c515bca245914789efec23d1260cccac [0,1,0,0,0,1|1,0,1]=4 1541 B12R1.105 O=C(O)CCOn1cc(cn1)I 56ca23b8b35ceaace1beb02ad3ac90c9 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.105 O=C(O)CNCc1cc(=O)[nH]o1 6e30faf6aa802d3dc6a6af6547e2656b [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.105 O=C(O)CNCc1cc(c[nH]1)Br b2cb9e1a00f8407b1333a6c8fa38b24a [0,1,0,0,0,1|1,0,1]=4 1544 B12R1.105 O=C(O)CNCc1cc(cs1)Br bad933666dc344ab040d0fcfd00e486f [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.105 O=C(O)CNCc1cc(sn1)Br 6c59dc3b28ca726fc1a9f469ed1a7b65 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.105 O=C(O)CNCc1ccc(o1)Br 0d8bb09d4af65736a5df9bc92e287b52 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.105 O=C(O)CNCc1ccc(s1)Br c4a0e0061209fa929fbfe27d52de472c [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 5ce40a658554a10cd6343985167c70f5 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.105 O=C(O)CNCc1ccc(s1)F 6d461b12f6579a1342c95aaddf4da315 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.105 O=C(O)CNCc1cnc(s1)Br ef47531b081c5d6c212b1fd48f2777f4 [0,1,0,0,0,1|1,0,1]=4 1551 B12R1.105 O=C(O)CNCc1cnc(s1)Cl 5c982443a158097d538f910d252d4239 [0,1,0,0,0,1|1,0,1]=4 1552 B12R1.105 O=C(O)CNCc1coc(=O)o1 3bb6584ef36958545504ed8f3047d602 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.105 O=C(O)CNCc1csc(c1)Br 5559a8dc14743cdaa45e65811146f106 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.105 O=C(O)CNCc1csc(c1)Cl ce3a7024cdf74b2b114f96b4a1110440 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.105 O=C(O)CNCc1csc(n1)Br 759f961fcd45b9a68908a096626f69e0 [0,1,0,0,0,1|1,0,0]=3 1556 B12R1.105 O=C(O)CNCc1nc(cs1)Br 631e07a481c54c256fe3ed0c88ae1205 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.105 O=C(O)CNCc1nc(cs1)Cl 9208682a0b1fd7f11256b0e459f8b2be [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.105 O=C(O)CNCc1nc(no1)Br fd7f6a428ccc0b1b31628b09b9ff9316 [0,1,0,0,0,1|1,0,1]=4 1559 B12R1.105 O=C(O)CNCc1ncc(o1)Br 3905c44a061dcf720610e957dcee137b [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.105 O=C(O)CNCc1ncc(s1)Br a3768761cb24306210c48df1da4d75bc [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.105 O=C(O)CNCc1ncc(s1)Cl df22926b7259a8de16d99aaebfaefbaa [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.105 O=C(O)CNCc1nsc(n1)Cl 74d8a69a0fdfd2cc4d77bc85f452077b [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.105 O=C(O)CNCn1cc(cn1)Cl aafc9a6333284e4e981efebb6912a9c8 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.105 O=C(O)COCc1cc(co1)Br 40a8290dce5ba404210a85fdd1d0911d [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.105 O=C(O)COCc1cc(cs1)Br ed7998ed0faf5efa1072768677498076 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.105 O=C(O)COCc1cc(sn1)Br ad7bb5fc92f38aacf05a2990349a5097 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.105 O=C(O)COCc1ccc(o1)Br f759ad5bf240d9d3ebb5490fd5e6983d [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.105 O=C(O)COCc1ccc(s1)Br 7529ff0b962f88958e01d6253df5679b [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.105 O=C(O)COCc1ccc(s1)Cl 2537281626aa43611187852be922c7f5 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.105 O=C(O)COCc1cnc(s1)Br 942ba23b599bcf0da6c848b5b169ce50 [0,1,0,0,0,1|1,0,1]=4 1571 B12R1.105 O=C(O)COCc1cnc(s1)Cl 1e3e28410c6e4706035a2f678e9a19be [0,1,0,0,0,1|1,0,1]=4 1572 B12R1.105 O=C(O)COCc1coc(=O)o1 20fb5c85207558e93ef0670cd223f8f5 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.105 O=C(O)COCc1coc(c1)Br 58bb45168cac16f4f9d4570637fed074 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.105 O=C(O)COCc1coc(n1)Br 84e9fe828883551d37ef5b17aad05625 [0,1,0,0,0,1|1,0,0]=3 1575 B12R1.105 O=C(O)COCc1coc(n1)Cl 43574048175bfc8490fb16b9966e115b [0,1,0,0,0,1|1,0,0]=3 1576 B12R1.105 O=C(O)COCc1csc(c1)Br 41462a678956e5874fa06a14085cbcd5 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.105 O=C(O)COCc1csc(c1)Cl 0bb7746ddcb24dfe579342ee679f5e21 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.105 O=C(O)COCc1csc(n1)Br cb9a244b70dbc7680492568cf67ad92a [0,1,0,0,0,1|1,0,0]=3 1579 B12R1.105 O=C(O)COCc1nc(=S)[nH][nH]1 c910eb83429c23ff9d815d77b0b68b56 [0,1,0,0,0,1|1,0,0]=3 1580 B12R1.105 O=C(O)COCc1nc(co1)Br d3402705a5999c08736a01fee7d18897 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.105 O=C(O)COCc1nc(cs1)Br 61590fc74d8a1a2ae9123d2451aac584 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.105 O=C(O)COCc1nc(n[nH]1)Br 0fc08c970650f72572f022e94bdb5a9c [0,1,0,0,0,1|1,0,1]=4 1583 B12R1.105 O=C(O)COCc1nc(no1)Br 9ac0408f6ec8ea70a5ef9adca99b0416 [0,1,0,0,0,1|1,0,1]=4 1584 B12R1.105 O=C(O)COCc1ncc(o1)Br af8a7a5e2e07deb54c06a0bdbc0c22e1 [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.105 O=C(O)COCc1ncc(s1)Br fd1bf639a3932b16174202e6154e9b86 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.105 O=C(O)COCc1ncc(s1)Cl 7a3f9a510bff81cf1f76e3f1cc0558d4 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.105 O=C(O)COCc1nsc(n1)Cl ba3c26ae02cadd0135182dcb20072208 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.105 O=C(O)COCn1cc(cn1)Br 1578c4eeb0143442cfde6560e9442ab7 [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.105 O=C(O)COCn1cc(cn1)Cl 2be2cf82ba864b95023841cdee6351d3 [0,1,0,0,0,1|2,0,0]=4 1590 B12R1.105 O=C(O)COCn1ccc(n1)Br 5bc5e000562ada8eefaff29191ded5a5 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.105 O=C(O)COCn1ccc(n1)I 7d48f43db43d9a61d4c853980cd67209 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.105 O=C(O)COCn1cnc(n1)Br 7c7dfff853875b01da1efcaa36956cbb [0,1,0,0,0,1|1,0,1]=4 1593 B12R1.105 O=S(O)COCc1csc(n1)Br 299938f21d3f2cc661b0cd4d61b89213 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.130 C=C(Br)CNCc1nc[nH]c1C ad494af2989ccaaf230c496e4045009d [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.130 C=C(Br)COCc1nc[nH]c1C a6dd13e6b956784b416e13b7622dbbc2 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.130 C=C(C)CNCc1nc[nH]c1C 9a13a2bfe48fe3a11cecceff47d7ae1f [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.130 C=C(C)COCc1nc[nH]c1C 42554796f8e8f4b459de0f7f80618a57 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.130 C=C(Cl)CNCc1nc[nH]c1C 5cf7ca722708bc3af0bce2140a18f96a [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.130 C=C(Cl)COCc1nc[nH]c1C 44c3ef58d744ff0f893a45a9aab90c9a [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.130 C=C(F)CNCc1nc[nH]c1C ae9a2d0ed5c536b499f05aede46e3a18 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.130 C=C(F)COCc1nc[nH]c1C 108ddadef8f2a1525b7d16d3c8a0f3a1 [0,1,0,0,0,1|2,0,0]=4 1602 B12R1.130 CC(=O)CCNc1ncsc1Br f57f1332f14677a136686b8a87c9cfcd [0,1,0,0,0,1|2,0,0]=4 1603 B12R1.130 CC(=O)CCNc1no[nH]c1=O 05db78bcabe0d11dd7f159b161df86b1 [0,1,0,0,0,1|2,0,0]=4 1604 B12R1.130 CC(=O)CNCc1ncoc1C 198cac87c609657cb871a1f3711a727e [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.130 CC(=O)COCc1ncoc1C 9869f87516e51a39983ac09673ee9b11 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.130 Cc1[nH]cnc1CNCC(=O)N 61ef45ca03b127b316e20525b0e1a9de [0,1,0,0,0,1|1,0,0]=3 1607 B12R1.130 Cc1[nH]cnc1CNCC(=O)O ee0380bff801a69c1bde8952ac2ed110 [0,1,0,0,0,1|0,0,0]=2 1608 B12R1.130 Cc1[nH]cnc1CNCC(C)O da292494ed5428a0916b238c0d0a8e72 [0,1,0,0,0,1|1,0,1]=4 1609 B12R1.130 Cc1[nH]cnc1CNC[C@@H](C)O 5a8ca3a2b9eb6fc7ebcdd25a46648af1 [0,1,0,0,0,1|1,0,1]=4 1610 B12R1.130 Cc1[nH]cnc1CNC[C@H](C)O 38b2ebca6f339cb1ce4f7bbc0bd2012b [0,1,0,0,0,1|1,0,1]=4 1611 B12R1.130 Cc1[nH]cnc1CNC[N+](=O)[O-] 3216b4e8d0c330f0e37b1450573ff442 [0,1,0,0,0,1|1,0,1]=4 1612 B12R1.130 Cc1[nH]cnc1COCC(=O)N 0dc73ceac43a1c5ee6672c90f4d653aa [0,1,0,0,0,1|1,0,0]=3 1613 B12R1.130 Cc1[nH]cnc1COCC(=O)O a33c5ffe3d114504db3bbf62d5cdcf1c [0,1,0,0,0,1|0,0,0]=2 1614 B12R1.130 Cc1[nH]cnc1COC[N+](=O)[O-] 1f13cf7b154ba9f114076fc0f4070e2c [0,1,0,0,0,1|1,0,1]=4 1615 B12R1.130 Cc1[nH]ncc1CNCC(=O)O 59fdd138fe9b45c5782a5c1651d4ec35 [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.130 Cc1c[nH]nc1COCC(=O)O 4620c08bee4feaa718e862e57cb798fd [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.130 Cc1c[nH]nc1NCCC(=O)O 80ad1bbed7240becf3fec9ee0b46cd84 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.130 Cc1c[nH]nc1OCCC(=O)O 5c18413c037cb10dc09994d149fed149 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.130 Cc1ccoc1CNCC(=O)O 3ed0dedb8bf9d1915527eccacc205494 [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.130 Cc1ccoc1COCC(=O)O b2e6b759ffaae3726b10514cb115700c [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.130 Cc1ccsc1COCC(=O)O f49baa20cfe898febedf1269188a9d12 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.130 Cc1conc1CNCC(=O)O 4f047a014aa6de67076fc81b0e4b3fca [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.130 Cc1conc1NCCC(=O)O 03e8c393241167a13942427434fb5378 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.130 Cc1cscc1COCC(=O)O c27fa519fb6369618f5dc8f043a23321 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.130 Cc1cscc1NCCC(=O)O e00c0eceaabd7c140a9cd9e1f99cfa8e [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.130 Cc1n[nH]cc1COCC(=O)O 9ff56eb1a9129ebda770576b6e22cd1b [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.130 Cc1n[nH]cc1NCCC(=O)O ed2eea2334b4db532c1950a07803a73a [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.130 Cc1ncoc1COCC(=O)O ac7b8dd191752fd8f53c93b6c9bc92a7 [0,1,0,0,0,1|1,0,1]=4 1629 B12R1.130 Cc1ncsc1CNCC(=O)O 7f48db4cec8901cc56b3dbb4e59e4a17 [0,1,0,0,0,1|1,0,1]=4 1630 B12R1.130 Cc1ncsc1COCC(=O)O c5813b8650c9f74347c5c251cd07d65a [0,1,0,0,0,1|1,0,1]=4 1631 B12R1.130 Cc1ncsc1NCCC(=O)O c009119445ad9649880dbee8c5e0609c [0,1,0,0,0,1|1,0,1]=4 1632 B12R1.130 Cc1nonc1CNCC(=O)O ed782689c67422ca792393ce1fb98318 [0,1,0,0,0,1|1,0,1]=4 1633 B12R1.130 Cc1nonc1COCC(=O)O 09cf59a92e41832b646de9eabb98ee7b [0,1,0,0,0,1|1,0,1]=4 1634 B12R1.130 Cc1nonc1NCCC(=O)O bf304ce07d047153affa9da5c4482340 [0,1,0,0,0,1|1,0,1]=4 1635 B12R1.130 Cc1occc1CNCC(=O)O 3495c0cd51a4202edf57b5b62a1fa604 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.130 Cc1occc1COCC(=O)O 9ebc80a84e5e038b88837627601686d4 [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.130 Cc1ocnc1CNCC(=O)N fb8c9d996f2f2f9cdb632fdf0ddef21b [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.130 Cc1ocnc1CNCC(=O)O 272a30677bd096ba42c07cb81a920271 [0,1,0,0,0,1|1,0,0]=3 1639 B12R1.130 Cc1ocnc1COCC(=O)N ffb3c2d1fbd8ddfcd1a454ffabab6b06 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.130 Cc1ocnc1COCC(=O)O f5556533ac4869c76172b43ca04b037c [0,1,0,0,0,1|1,0,0]=3 1641 B12R1.130 Cc1ocnc1COCS(=O)O 83a19979d92f2f925c870ab12a0d6898 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.130 Cc1sccc1NCCC(=O)O 0451d9caf7c64e9f617712864b80c63f [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.130 Cc1scnc1COCC(=O)N e72b654e0d3aa5ff3c2808a0de9b7257 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.130 Cc1scnc1COCC(=O)O 5706b26004a5bc000cc8f545f5cece45 [0,1,0,0,0,1|1,0,0]=3 1645 B12R1.130 Cc1snnc1COCC(=O)O 9689bf2c0168c28d5e8ec27bd40fe0bf [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.130 Cn1cccc1CNCC(=O)O 42065ef2e44fc90191fa3c08267c1178 [0,1,0,0,0,1|1,0,1]=4 1647 B12R1.130 Cn1cccc1COCC(=O)O 6b071932ebd66a6fcc5f4874fa537ec5 [0,1,0,0,0,1|1,0,1]=4 1648 B12R1.130 Cn1ccnc1CNCC(=O)O 3219b5c3e37ab7626a6d905f99a8e472 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.130 Cn1ccnc1COCC(=O)O ae343f9c4991d5c6185679e3d4b06f27 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.130 Cn1ccnc1NCCC(=O)O e1377090b495c620b2ef6219619f4aaa [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.130 Cn1cncc1CNCC(=O)O 0e925f3632f6efe1331361cf9203cd2b [0,1,0,0,0,1|0,0,2]=4 1652 B12R1.130 Cn1cncc1COCC(=O)O 70f3ed6dab40f20610117d94167009fc [0,1,0,0,0,1|0,0,2]=4 1653 B12R1.130 Cn1cncc1NCCC(=O)O 27b4f0dae041a8d688597d83c705c9a7 [0,1,0,0,0,1|0,0,2]=4 1654 B12R1.130 Cn1ncnc1CNCC(=O)O 18dd4aaee73e903c81a802fd0bcdfcf9 [0,1,0,0,0,1|1,0,1]=4 1655 B12R1.130 Cn1ncnc1COCC(=O)O 37df910035e20e6586d8da38d8e5778f [0,1,0,0,0,1|1,0,1]=4 1656 B12R1.130 NC(=O)CCNc1ncsc1Br a7c57e1a2a83b4095e8335ca1fefe3d2 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.130 NC(=O)CCNc1no[nH]c1=O 66fbdd093334f60a112f40a3ca7b5ecd [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.130 NC(=O)COCc1ncsc1Br 668d7eadcbb4ed6231d51eafe579031a [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.130 Nc1c[nH]nc1NCCC(=O)O cd90b7b702b549cb2da0ed2c99f3e132 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.130 O=C(O)CCNc1c[nH]nc1Br d766ce0221c7b35b8065fd37b2274c0d [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.130 O=C(O)CCNc1c[nH]nc1Cl 0bde6250f1c35188ebb9dda46c3cc9e5 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.130 O=C(O)CCNc1n[nH]cc1Cl 4e1b24ff2d4a723a9c4a06b7bd92d415 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.130 O=C(O)CCNc1n[nH]cc1I b8c364b2a022a1793ccfa19ef732b462 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.130 O=C(O)CCNc1no[nH]c1=O 6ed22cb189e94b59728352200d104b27 [0,1,0,0,0,1|1,0,0]=3 1665 B12R1.130 O=C(O)CCNc1nocc1Br dd2a886173fd97d0333645b1e1a9a357 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.130 O=C(O)CCNc1nocc1Cl c5564d9af3d811adf7b0164c6ffb6cb0 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.130 O=C(O)CNCc1ccsc1Br 88adb4928a0eb5af3412079edb697727 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.130 O=C(O)CNCc1ccsc1Cl f31ca81ad711bada43bdeccb687fd70e [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.130 O=C(O)CNCc1cscc1Br 745edbd73a0de582b082ff814adf0cc0 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.130 O=C(O)CNCc1nnsc1Cl 08c7c76db4deaaca1207059f27b228d4 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.130 O=C(O)CNCc1nocc1Br f4108d2f6c0e7a315d2c038508b2ad6b [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.130 O=C(O)CNCc1sccc1Br 22f970fb22c10249e6918e61020c39c2 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.130 O=C(O)CNCc1sccc1Cl d01a2bb25a060d33421aba01166eeb93 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.130 O=C(O)CNCc1sccc1F 8241289bc2eca48f5248b741046a9020 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.130 O=C(O)CNCc1scnc1Br accabc724058145b2ca8f25fe92e35b7 [0,1,0,0,0,1|1,0,1]=4 1676 B12R1.130 O=C(O)CNCc1scnc1Cl 37ae92d13ceaa7c5441ec586bb8286e5 [0,1,0,0,0,1|1,0,1]=4 1677 B12R1.130 O=C(O)COCc1ccsc1Br 1a7ab0ae54f092bc2d5cc0b32061a5c2 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.130 O=C(O)COCc1ccsc1Cl 236bfd21f5b7797bf45d8f305584ec66 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.130 O=C(O)COCc1cscc1Br b792c539735692a352e9c1a14f82bd3e [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.130 O=C(O)COCc1nnsc1Cl 49570e2e8756848d594f714ba0d58533 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.130 O=C(O)COCc1nocc1Br f5247988682de7417533a3b1c56f1f94 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.130 O=C(O)COCc1occc1Br dad39375a0889930933a50a5c8d371c7 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.130 O=C(O)COCc1sccc1Cl 23c931d3ee1b68c63205d2c7a06d2a31 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.130 O=C(O)COCc1sccc1F 8b1324a24cbd1d1fd8a9f22fb771dab4 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.130 O=C(O)COCc1scnc1Br 71d4826df83a7f83c1109b6f0eb4624f [0,1,0,0,0,1|1,0,1]=4 1686 B12R1.130 O=C(O)COCc1scnc1Cl 153965363404eb2b7ed302560e33e22e [0,1,0,0,0,1|1,0,1]=4 1687 B12R1.260 CC(=O)OC(C)Oc1c[nH]cn1 c9d201d8057e49e5589167f3ff1e85a2 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.260 CC(CC(=O)O)Nc1c[nH]cn1 e82ae7918caf9661af52b2594ac44b51 [0,1,0,0,0,1|0,0,0]=2 1689 B12R1.260 CC(CC(=O)O)Nc1cccs1 7791b308d83ca7036041db17ceb5cc40 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.260 CC(CC(=O)O)Nc1ccoc1 570b4de7fa229207686453fd66aa53b5 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.260 CC(CC(=O)O)Nc1ccon1 14c6df1a96ab5a3c31fbca6aef84a75d [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.260 CC(CC(=O)O)Nc1ccsc1 9bf6bfc67be5647835d134e12daf3271 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.260 CC(CC(=O)O)Nc1cn[nH]c1 91d8bfb188d8035055f5dbaecf21bc7a [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.260 CC(CC(=O)O)Nc1cnon1 0e11ac40a06d8ae229e1eb4848cc395b [0,1,0,0,0,1|1,0,1]=4 1695 B12R1.260 CC(CC(=O)O)Nc1cnsn1 b5659d90118a5f068458b509626c3101 [0,1,0,0,0,1|1,0,1]=4 1696 B12R1.260 CC(CC(=O)O)Nc1cscn1 7407ce7ba0e7a09b1f54af98422c07dc [0,1,0,0,0,1|1,0,0]=3 1697 B12R1.260 CC(CC(=O)O)Nc1ncc[nH]1 04ba64025fdf4588965041d2476079a7 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.260 CC(CC(=O)O)Nc1ncco1 024bda07a8aecd037c3d0fd48c952909 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.260 CC(CC(=O)O)Nc1nccs1 101da1b62b817462027406ff78344d01 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.260 CC(CC(=O)O)Nc1ncns1 3a2ae81f69308569c2e269be2f8bdb40 [0,1,0,0,0,1|1,0,1]=4 1701 B12R1.260 CC(CC(=O)O)Oc1c[nH]cn1 b2ddbf2aadf06eba9baaf68ec9fcc9d7 [0,1,0,0,0,1|0,0,0]=2 1702 B12R1.260 CC(CC(=O)O)Oc1ccsc1 288af5057653921bb21674ea03abfaad [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.260 CC(CC(=O)O)Oc1cn[nH]c1 cb36bc068e2d4adb21414c5d090f94fc [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.260 CC(CC(=O)O)On1cccn1 6923a8a30033c1555694404e96731262 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.260 CN(CC(=O)N)Cc1cocn1 6ba4529a3d2da7b202311f8b6163203b [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.260 CN(CC(=O)N)Cc1cscn1 741dd2ac938a7db6cec63284727eb891 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.260 CN(CC(=O)N)Cc1nc[nH]n1 9bbbc6bd25da7e4d5df03bd665845901 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.260 CN(CC(=O)O)Cc1ccc[nH]1 a3af0ce73bc1bb89e8a0a889c8e3d11b [0,1,0,0,0,1|1,0,1]=4 1709 B12R1.260 CN(CC(=O)O)Cc1ccco1 1c964894c2f7db8f3f04c51d8682d0ae [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.260 CN(CC(=O)O)Cc1cccs1 5c9538fae08bfd9d0156c97c4ad47c03 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.260 CN(CC(=O)O)Cc1ccon1 2da1390ae47da050750d5de8b7422b9b [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.260 CN(CC(=O)O)Cc1ccsc1 e2ddecc0b6ae74c0128c08616f0c7292 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.260 CN(CC(=O)O)Cc1cnc[nH]1 7a77a4ce1b299416c3f201b02451d2ac [0,1,0,0,0,1|0,0,2]=4 1714 B12R1.260 CN(CC(=O)O)Cc1cncs1 6c20b6c20e4df2687719c64cdb584d81 [0,1,0,0,0,1|1,0,1]=4 1715 B12R1.260 CN(CC(=O)O)Cc1cocn1 cac929230e68b0ec4036e3cacad023d9 [0,1,0,0,0,1|1,0,0]=3 1716 B12R1.260 CN(CC(=O)O)Cc1cscn1 55abe56d8cf4d672a84449f4d6aec3f9 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.260 CN(CC(=O)O)Cc1nc[nH]n1 f96a3a13f7fa48aa73be6383d5c7bc66 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.260 CN(CC(=O)O)Cc1ncc[nH]1 684a96d47c1a8cb96681aa9c19b4100a [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.260 CN(CC(=O)O)Cc1ncco1 6e24144ca50153e9d058a660707d796d [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.260 CN(CC(=O)O)Cc1nccs1 ca83fb365189d5776dac50ae8c3bc004 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.260 CN(CC(=O)O)Cc1ncno1 db415220afd60f250e972082e3f438b6 [0,1,0,0,0,1|1,0,1]=4 1722 B12R1.260 CN(CC(=O)O)Cc1ncon1 e85369051c5d5e29db4ce8b563396c2f [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.260 CN(CC(=O)O)Cn1cncn1 a28bd9cbc44db3fc5f6ac80d5da78f44 [0,1,0,0,0,1|1,0,1]=4 1724 B12R1.260 C[C@@H](CC(=O)O)Nc1c[nH]cn1 167e97d8bbc05ea6201170bad0a39c93 [0,1,0,0,0,1|0,0,0]=2 1725 B12R1.260 C[C@@H](CC(=O)O)Nc1cccs1 2e51ac1caab1ab09417332f7a7f5d27e [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.260 C[C@@H](CC(=O)O)Nc1ccoc1 34e1b61b5104b34183504727a7cbb963 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.260 C[C@@H](CC(=O)O)Nc1ccon1 c423a4a1b82422bd4720696f91594ef7 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.260 C[C@@H](CC(=O)O)Nc1ccsc1 eab09a2268e869eeebdb092eb15b4a69 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.260 C[C@@H](CC(=O)O)Nc1cnsn1 e53db9dc093e2e903b9a89f2b6e2dbb1 [0,1,0,0,0,1|1,0,1]=4 1730 B12R1.260 C[C@@H](CC(=O)O)Nc1ncc[nH]1 f5fcb688a1abcbf438d776e2622e4087 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.260 C[C@@H](CC(=O)O)Nc1ncco1 2e42a5d6c288186c6d82f25f5a0598e7 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.260 C[C@@H](CC(=O)O)Nc1nccs1 6facb56cae8b935b5a9595a43d4567bd [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.260 C[C@@H](CC(=O)O)Nc1ncns1 67006409cadcdcba9ad93a122ebfbbae [0,1,0,0,0,1|1,0,1]=4 1734 B12R1.260 C[C@H](CC(=O)O)Nc1c[nH]cn1 4f4407f2fcff87b064f96554f3c102f7 [0,1,0,0,0,1|0,0,0]=2 1735 B12R1.260 C[C@H](CC(=O)O)Nc1cccs1 49b8cd23b5393da8d91d5e5e60379442 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.260 C[C@H](CC(=O)O)Nc1ccoc1 55227785fb98b375875297e882502fdb [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.260 C[C@H](CC(=O)O)Nc1ccon1 efc769dd44d414367186c91e90f18868 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.260 C[C@H](CC(=O)O)Nc1ccsc1 fde26fd8bfc4b68a4a5747ac8e17b749 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.260 C[C@H](CC(=O)O)Nc1cnsn1 3344caadba1ab1cca2cb50e2567c871a [0,1,0,0,0,1|1,0,1]=4 1740 B12R1.260 C[C@H](CC(=O)O)Nc1ncc[nH]1 d229988c2997268f7c1a59ed3a1ece0e [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.260 C[C@H](CC(=O)O)Nc1ncco1 ef1f6d399e829a73edf7c1ba41f63de9 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.260 C[C@H](CC(=O)O)Nc1nccs1 ff6fb55a69da6062201ea7e258384d4d [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.260 C[C@H](CC(=O)O)Nc1ncns1 ad26b3cc0acc71cd8af3fba3a48536b3 [0,1,0,0,0,1|1,0,1]=4 1744 B12R1.264 C=C(CNc1cocn1)C(=O)O 24eb9e77ccdad66d970fee86bd269544 [0,1,0,0,0,1|1,0,1]=4 1745 B12R1.264 C=C(CNc1cscn1)C(=O)O 23674b3bcb98fdae1b42b2403f94f3ef [0,1,0,0,0,1|1,0,1]=4 1746 B12R1.264 C=C(CNc1nc[nH]n1)C(=O)O dc1a96ea87ff28b57dec57d2de23d52e [0,1,0,0,0,1|1,0,1]=4 1747 B12R1.264 C=C(COc1c[nH]cn1)C(=O)O 23fdd592fbcbf778fca7ed0c347e9144 [0,1,0,0,0,1|0,0,1]=3 1748 B12R1.264 C=C(I)[C@H](C)COc1c[nH]cn1 b2e645edf9be07400b88968e0cff395f [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.264 CC(=O)C(=O)COc1c[nH]cn1 b7be03e63d61e7f791d7c89b5c598d2b [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.264 CC(=O)C(C)NCc1c[nH]nn1 419e250c6b5d511b30844f76c0b8dd7c [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.264 CC(=O)C(C)NCc1cc[nH]c1 d12ff95775979fd2fc665461999baafe [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.264 CC(=O)C(C)NCc1cocn1 eb4577e36eae1f822777eb3d634595d0 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.264 CC(=O)C(C)NCc1cscn1 ed03d483b9cf1038e141637a53820f68 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.264 CC(=O)C(C)OCc1cocn1 08b2e8a9c3edc483e580d3b808f57cea [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.264 CC(=O)C(C)OCc1cscn1 75b5ab99cd1cb558dd05149ba932c51e [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.264 CC(=O)C(C)OCc1nc[nH]n1 3da3a134af338882090a15562b2f98fe [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.264 CC(CNc1cc[nH]n1)C(=O)O bf04f83d7a7fa4c4739c8349759b8a95 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.264 CC(CNc1cccs1)C(=O)O d5aee0405632641ba66498b4b428e468 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.264 CC(CNc1ccoc1)C(=O)O caa42b0ed7eb764aa1ba4020e3285f22 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.264 CC(CNc1ccon1)C(=O)O 9360f84ca66f65b796fa2220f76283a2 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.264 CC(CNc1ccsc1)C(=O)O 0d3ef0c634714cac8101d51dbba5f2b3 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.264 CC(CNc1cn[nH]c1)C(=O)O 5aeb4cbb7d10b8ab48c7fdea12b35bc9 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.264 CC(CNc1cncs1)C(=O)O 829ce4a3b4df4f611007bf8e92a1b92b [0,1,0,0,0,1|1,0,1]=4 1764 B12R1.264 CC(CNc1cnon1)C(=O)O cbb564c4e104de64fd74f984729c2e51 [0,1,0,0,0,1|1,0,1]=4 1765 B12R1.264 CC(CNc1cnsn1)C(=O)O 339d5234d3619641adeeefb511c6b465 [0,1,0,0,0,1|1,0,1]=4 1766 B12R1.264 CC(CNc1cocn1)C(=O)O daa07bf9076edd52f860b21024fab254 [0,1,0,0,0,1|1,0,0]=3 1767 B12R1.264 CC(CNc1cscn1)C(=O)O caf9e76e1b5a5d5ea4f8253db8746ea5 [0,1,0,0,0,1|1,0,0]=3 1768 B12R1.264 CC(CNc1nc[nH]n1)C(=O)O d07149b0870a6f68241ea8f82f7178d1 [0,1,0,0,0,1|1,0,0]=3 1769 B12R1.264 CC(CNc1ncc[nH]1)C(=O)O 0fb1a660a9135225bb498a46f3db5608 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.264 CC(CNc1ncco1)C(=O)O 7511d16006e5df77df336435f0c83fc1 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.264 CC(CNc1nccs1)C(=O)O 86d1125df2dd24f0f599f498c85c9d5e [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.264 CC(CNc1ncns1)C(=O)O 73bf90a2250e3943bc4a3872d7028d08 [0,1,0,0,0,1|1,0,1]=4 1773 B12R1.264 CC(CNc1ncon1)C(=O)O 9e924684a1ff29ac2e6167f26dbf3e54 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.264 CC(CNc1nn[nH]n1)C(=O)O a13955bebbe9260cae8de72ea0e9dbfa [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.264 CC(COc1c[nH]cn1)C(=O)O 245c4031e669c905f6c158578d242ea9 [0,1,0,0,0,1|0,0,0]=2 1776 B12R1.264 CC(COc1ccco1)C(=O)O 7a6f8d7051a7cf005c1a3a5df32a97dd [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.264 CC(COc1cccs1)C(=O)O 6206a7d26a4a551fa387627ef611edee [0,1,0,0,0,1|2,0,0]=4 1778 B12R1.264 CC(COc1ccsc1)C(=O)O ab6e3e87a44461b518d8df2db5822b8f [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.264 CC(COc1cn[nH]c1)C(=O)O 0b888ab4f711165b44e47c033d608bf6 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.264 CC(COc1cnsn1)C(=O)O 0f659a7da23bdc3618fdcc1231667759 [0,1,0,0,0,1|1,0,1]=4 1781 B12R1.264 CC(COc1nccs1)C(=O)O f1b6633a46d7f4265ff36f6c81206ee0 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.264 CC(COn1cccn1)C(=O)O c7c2ab74a02b6d220ab63416781412cb [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.264 CC(NCc1c[nH]nn1)C(=O)N ce9a1426cc85aa0574cf91436ccd8c39 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.264 CC(NCc1c[nH]nn1)C(=O)O 7982cce42d41cc9b53796ed7abba7a85 [0,1,0,0,0,1|1,0,0]=3 1785 B12R1.264 CC(NCc1cc[nH]c1)C(=O)N e846e6962e90103e0f8bfc6012537530 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.264 CC(NCc1cc[nH]c1)C(=O)O 0f68a8eb5aa564c03c67ce3a8862ae4b [0,1,0,0,0,1|1,0,0]=3 1787 B12R1.264 CC(NCc1ccc[nH]1)C(=O)O 4fc8d12c3bd849eb41504c46b7b0a40c [0,1,0,0,0,1|1,0,1]=4 1788 B12R1.264 CC(NCc1ccco1)C(=O)O c319a516f0551dc43f8198cb596ab8e1 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.264 CC(NCc1cccs1)C(=O)O 35f32affd3feb8ac44d666c95b74c6dd [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.264 CC(NCc1ccon1)C(=O)O dbc92ed955f7578f767eff69c93fb60a [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.264 CC(NCc1ccsc1)C(=O)O 7e20284651e6d156136b4edaf78426c9 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.264 CC(NCc1cn[nH]c1)C(=O)O 5e49b882b01e2cb5fbce0bedaca0ec00 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.264 CC(NCc1cnc[nH]1)C(=O)O 5fd01e5c52e004b5446c31381a78e6b8 [0,1,0,0,0,1|0,0,2]=4 1794 B12R1.264 CC(NCc1cocn1)C(=O)N 3e62149c986022d2de019f260cc047cf [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.264 CC(NCc1cocn1)C(=O)O 79338776eaa6e7d310be4e319b1b7617 [0,1,0,0,0,1|1,0,0]=3 1796 B12R1.264 CC(NCc1cscn1)C(=O)N 35767d969f5b1f4d53e084f33bfa35b4 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.264 CC(NCc1cscn1)C(=O)O 5122a0aa4b4e7463bd2452f764ab7654 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.264 CC(NCc1nc[nH]n1)C(=O)N d41ddcaf4ae279a27ecb6230e35af1d4 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.264 CC(NCc1nc[nH]n1)C(=O)O 54b5debc2a23eabf6e2d68f1e53575c0 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.264 CC(NCc1ncc[nH]1)C(=O)O 27b1139977661123c04ac39266c47deb [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.264 CC(NCc1ncco1)C(=O)O 19f749567c2076c2a4ac95402ac1c57a [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.264 CC(NCc1nccs1)C(=O)O 30b21cb68a262ed863da81e55012e35d [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.264 CC(NCc1ncno1)C(=O)O c84a81dc75381b6a90a1565f3ae394ab [0,1,0,0,0,1|1,0,1]=4 1804 B12R1.264 CC(NCc1ncon1)C(=O)O 40efa9a935d4af9a7ede4ba66ef016cf [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.264 CC(NCn1cncn1)C(=O)O e11d41d9979bdb3fc75deea8e0c4c92c [0,1,0,0,0,1|1,0,1]=4 1806 B12R1.264 CC(OCc1ccc[nH]1)C(=O)O 61ba5b0a57e11c6c0adf44075c450f91 [0,1,0,0,0,1|1,0,1]=4 1807 B12R1.264 CC(OCc1ccco1)C(=O)O ea0ec8b3d4418b5b853084248ac11705 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.264 CC(OCc1cccs1)C(=O)O 08163a009fcb3ae0d7a32b8ac5a002b4 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.264 CC(OCc1ccon1)C(=O)O 2f34f2c6856a9ca5e7eeae757b2e63ce [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.264 CC(OCc1ccsc1)C(=O)O cc2d4bb96c83ab4fefddf678a230b8ef [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.264 CC(OCc1cnc[nH]1)C(=O)O de2839e9ca23192e6088f1a817af1052 [0,1,0,0,0,1|0,0,2]=4 1812 B12R1.264 CC(OCc1cocn1)C(=O)N 7a04b8ae67522f218befaf3b236d87fb [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.264 CC(OCc1cocn1)C(=O)O d2307781a281d9750cce24eca64a052a [0,1,0,0,0,1|1,0,0]=3 1814 B12R1.264 CC(OCc1cscn1)C(=O)N 55358a17ae9ce8ad30fb2998a83d5c28 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.264 CC(OCc1cscn1)C(=O)O 662d94ace04be15e56d220570f202e72 [0,1,0,0,0,1|1,0,0]=3 1816 B12R1.264 CC(OCc1nc[nH]n1)C(=O)N 69be913b21e9516fb87372d5540152ee [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.264 CC(OCc1nc[nH]n1)C(=O)O 2ba6807d926db011e4389deaa8a3ed2e [0,1,0,0,0,1|1,0,0]=3 1818 B12R1.264 CC(OCc1ncc[nH]1)C(=O)O 05147d56b4975df561dfae286b5a796c [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.264 CC(OCc1ncco1)C(=O)O 935d80a0927f7efd7111ad7c7cd0422d [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.264 CC(OCc1nccs1)C(=O)O 128571225b3a40c9313e82c29821acd2 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.264 CC(OCc1ncon1)C(=O)O 8d1f3691598e5911d4e7fb6ac359202f [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.264 CC(OCc1nn[nH]n1)C(=O)O 80220a4ecdcd9f7aa54d003d8fdad07f [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.264 CC(OCn1cccn1)C(=O)O 721831b7ff97e481e38a27717438f669 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.264 CC(OCn1cncn1)C(=O)O d43f452305aa063589b2f31ee88da7ad [0,1,0,0,0,1|1,0,1]=4 1825 B12R1.264 C[C@@H](CNc1cccs1)C(=O)O 36f40f54c0195974dba71c4008a2fd85 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.264 C[C@@H](CNc1ccoc1)C(=O)O 7e1a5dad6c2dcf365a5179a60db7f270 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.264 C[C@@H](CNc1ccon1)C(=O)O 03d2a099160827bcced841e756bbd4f4 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.264 C[C@@H](CNc1ccsc1)C(=O)O 667e34a1cef70b7d98b82dd820fbf9cc [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.264 C[C@@H](CNc1cnsn1)C(=O)O d92d3130b0a9ec0d22c08bbc0da5b87b [0,1,0,0,0,1|1,0,1]=4 1830 B12R1.264 C[C@@H](CNc1ncns1)C(=O)O 43ad99507ba5d11b53b1846ed084f86c [0,1,0,0,0,1|1,0,1]=4 1831 B12R1.264 C[C@@H](NCc1c[nH]nn1)C(=O)N 72ddc7cf63d4193f659c6ef4c4938174 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.264 C[C@@H](NCc1c[nH]nn1)C(=O)O 572a7e0ee3c30b147f058d13822e8f17 [0,1,0,0,0,1|1,0,0]=3 1833 B12R1.264 C[C@@H](NCc1cc[nH]c1)C(=O)N a07e7c366c553740b5acd02fd647199b [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.264 C[C@@H](NCc1cc[nH]c1)C(=O)O 46b5b63667dbb74163f0d0634ec62632 [0,1,0,0,0,1|1,0,0]=3 1835 B12R1.264 C[C@@H](NCc1ccc[nH]1)C(=O)O e64ab9433432397adfc723a0af1c1d37 [0,1,0,0,0,1|1,0,1]=4 1836 B12R1.264 C[C@@H](NCc1ccco1)C(=O)O f66e8200ab7ca65408eb4032ac3c04cb [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.264 C[C@@H](NCc1cccs1)C(=O)O c3e5edd476189e2baf4244a02905922b [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.264 C[C@@H](NCc1ccon1)C(=O)O 1239474562907b68e29acd067fa2e172 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)O 72d3514295059250fd5c171da31a3be6 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.264 C[C@@H](NCc1cn[nH]c1)C(=O)O 5315743a029fe7274f7d8804f08281e0 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.264 C[C@@H](NCc1cnc[nH]1)C(=O)O 8072a52538746211f76f8f89fd21f43d [0,1,0,0,0,1|0,0,2]=4 1842 B12R1.264 C[C@@H](NCc1cocn1)C(=O)N 0f249d8b9760717836620556937e2da6 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.264 C[C@@H](NCc1cocn1)C(=O)O 3b4469f3f3477699e1689a8dee819dfb [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.264 C[C@@H](NCc1cscn1)C(=O)N 85117637d48366ad4fcda4bb1f88a9f2 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.264 C[C@@H](NCc1cscn1)C(=O)O a502778873f4bd841b4f8ec2889df571 [0,1,0,0,0,1|1,0,0]=3 1846 B12R1.264 C[C@@H](NCc1nc[nH]n1)C(=O)N e0a0a1d3f7158e3444f98d6d2e06ba62 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.264 C[C@@H](NCc1nc[nH]n1)C(=O)O 8643002fc836921a72c142b9db934d39 [0,1,0,0,0,1|1,0,0]=3 1848 B12R1.264 C[C@@H](NCc1ncc[nH]1)C(=O)O 98d7033517a24b3f74db285c7a54c175 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.264 C[C@@H](NCc1ncco1)C(=O)O e8abbe5f1821a2011a80636426dccee0 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.264 C[C@@H](NCc1nccs1)C(=O)O 3bf905c37fcddcd52906b27ba989bcdc [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.264 C[C@@H](NCc1ncno1)C(=O)O 15ec6b783ef3654aff91823d2e8e463f [0,1,0,0,0,1|1,0,1]=4 1852 B12R1.264 C[C@@H](NCc1ncon1)C(=O)O fe2778d96dfb3f055a282022ce794f80 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.264 C[C@@H](NCn1cncn1)C(=O)O c355034c78f6c3753edfc54ca03847e6 [0,1,0,0,0,1|1,0,1]=4 1854 B12R1.264 C[C@@H](OCc1ccc[nH]1)C(=O)O ce50ebde7847a550a3f616c11348c149 [0,1,0,0,0,1|1,0,1]=4 1855 B12R1.264 C[C@@H](OCc1ccco1)C(=O)O 24b40db53c5ba5cfac18e494ea2c2556 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.264 C[C@@H](OCc1cccs1)C(=O)O cacac9d803e52efd56c6368eea765b6c [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.264 C[C@@H](OCc1ccon1)C(=O)O 3c04454887ae5e3395cc5564bae4465e [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.264 C[C@@H](OCc1ccsc1)C(=O)O 8cb13f71e057e36ef4b9058d7085ac0d [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.264 C[C@@H](OCc1cnc[nH]1)C(=O)O 57513390a0ec0e0d9ce393c930ffeff1 [0,1,0,0,0,1|0,0,2]=4 1860 B12R1.264 C[C@@H](OCc1cocn1)C(=O)N 4ec1e09cec4d8e02e9ae0f8da3aa1a0d [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.264 C[C@@H](OCc1cocn1)C(=O)O f37a952a5ca3f1eb837b8e3bc4a12694 [0,1,0,0,0,1|1,0,0]=3 1862 B12R1.264 C[C@@H](OCc1cscn1)C(=O)N 113a1de7bf1cba4eecb5f20cc9491cfe [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.264 C[C@@H](OCc1cscn1)C(=O)O 0b6e3935c06d3e38b1c1241c3c931910 [0,1,0,0,0,1|1,0,0]=3 1864 B12R1.264 C[C@@H](OCc1nc[nH]n1)C(=O)N c3911c661e851a4972b18dae2d6cfc11 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.264 C[C@@H](OCc1nc[nH]n1)C(=O)O 2bc176be5ebcf507252843ce71fd3763 [0,1,0,0,0,1|1,0,0]=3 1866 B12R1.264 C[C@@H](OCc1ncc[nH]1)C(=O)O 77d32d268d32d240a7c40a30ff9cf3f7 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.264 C[C@@H](OCc1ncco1)C(=O)O 27fff620aeaf2a5375c162bbabf98bf7 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.264 C[C@@H](OCc1nccs1)C(=O)O b894b67c9b716f2613b50c01644a10d4 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.264 C[C@@H](OCc1ncon1)C(=O)O aeaa2c16d143912d4c37606ee2c9acf2 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.264 C[C@@H](OCc1nn[nH]n1)C(=O)O 18a359c6de073bcebed20ac8d63ead39 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.264 C[C@@H](OCn1cccn1)C(=O)O 1ba8732fb5debc2d9d477acd6d6ff0f8 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.264 C[C@@H](OCn1cncn1)C(=O)O bef9fc721f15717fcc8e516e1d1e1847 [0,1,0,0,0,1|1,0,1]=4 1873 B12R1.264 C[C@H](CNc1cccs1)C(=O)O e53f1969ee75fa74c5d5402ee0554d37 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.264 C[C@H](CNc1ccoc1)C(=O)O 8c27e59f6c34a9b54bc82f1f4d017fa5 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.264 C[C@H](CNc1ccon1)C(=O)O d9dae9224e7de19a54c2eb389fa7eb63 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.264 C[C@H](CNc1ccsc1)C(=O)O 9e6545097f7599e8b77b51f8e93671e7 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.264 C[C@H](CNc1cnsn1)C(=O)O ebf133e68cb72abc5345753368f6daae [0,1,0,0,0,1|1,0,1]=4 1878 B12R1.264 C[C@H](CNc1ncns1)C(=O)O d0ad9c7deec7399b2de607f3dfb05f26 [0,1,0,0,0,1|1,0,1]=4 1879 B12R1.264 C[C@H](NCc1c[nH]nn1)C(=O)N 2814e9c9f5b3b92a6938c730fdbf3f21 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.264 C[C@H](NCc1c[nH]nn1)C(=O)O efbfaf92577c1f74a065f2458fb0c48e [0,1,0,0,0,1|1,0,0]=3 1881 B12R1.264 C[C@H](NCc1cc[nH]c1)C(=O)N 4185c243947d5f6ef746a3fdf9d04eab [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.264 C[C@H](NCc1cc[nH]c1)C(=O)O ebf27c5b9c9ac8cbdb6fe64615ba7786 [0,1,0,0,0,1|1,0,0]=3 1883 B12R1.264 C[C@H](NCc1ccc[nH]1)C(=O)O 9b8b9d64c279e25e8ad6788acf42279d [0,1,0,0,0,1|1,0,1]=4 1884 B12R1.264 C[C@H](NCc1ccco1)C(=O)O dc75f5c529d6c10465091ee0f469007c [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.264 C[C@H](NCc1cccs1)C(=O)O 19e0b90b8f25975a38c79f132b35a17a [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.264 C[C@H](NCc1ccon1)C(=O)O 31f2541d949b980716e61723e5757286 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O a4e89ef994c546ca1c28f18810159699 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.264 C[C@H](NCc1cn[nH]c1)C(=O)O 4d15b48b0f0aece8b9495d2684eab978 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.264 C[C@H](NCc1cnc[nH]1)C(=O)O 00c69e1f7c525a4a63e5620aadb2e77a [0,1,0,0,0,1|0,0,2]=4 1890 B12R1.264 C[C@H](NCc1cocn1)C(=O)N e50598c482fbeb4de8b3c2cd3ca8373f [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.264 C[C@H](NCc1cocn1)C(=O)O d8252163bbe20116d828138954cdeeed [0,1,0,0,0,1|1,0,0]=3 1892 B12R1.264 C[C@H](NCc1cscn1)C(=O)N 4e1780a6bcb4465c4583845750fd8226 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 2e81da56e2f15eba8930b3089c8e657d [0,1,0,0,0,1|1,0,0]=3 1894 B12R1.264 C[C@H](NCc1nc[nH]n1)C(=O)N 0237841a780e25246cb6e97fe6c40111 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.264 C[C@H](NCc1nc[nH]n1)C(=O)O 20b53fcf74b15bcbe0773662ebbc76b7 [0,1,0,0,0,1|1,0,0]=3 1896 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O c062d4c3068a2955bab0e223b1142e0c [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 32f8c0f69dd333f7fc65e88b44bc50f2 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.264 C[C@H](NCc1nccs1)C(=O)O 85d0cb7fd408e18e257693ad0dc0ec71 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.264 C[C@H](NCc1ncno1)C(=O)O d6518c3e8b8d49c9ed7ee7b249b8c325 [0,1,0,0,0,1|1,0,1]=4 1900 B12R1.264 C[C@H](NCc1ncon1)C(=O)O 3dd04c4c6fb41a1c8c47b94ef86c660c [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.264 C[C@H](NCn1cncn1)C(=O)O f220b57cef039b55dcb3b8f877433290 [0,1,0,0,0,1|1,0,1]=4 1902 B12R1.264 C[C@H](OCc1ccc[nH]1)C(=O)O f8708ae157c4b7a06ba0b64336368194 [0,1,0,0,0,1|1,0,1]=4 1903 B12R1.264 C[C@H](OCc1ccco1)C(=O)O 0dbd1fbe414c5b9823f07ff9348cbb8b [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.264 C[C@H](OCc1cccs1)C(=O)O 5212c7f60fb0680f3018f3cc4058c232 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.264 C[C@H](OCc1ccon1)C(=O)O 47725adfb9f5f0ffcd03f0ed839c7e98 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.264 C[C@H](OCc1ccsc1)C(=O)O 13fda23e9ebb483a5f852fd2eb47dbfd [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.264 C[C@H](OCc1cnc[nH]1)C(=O)O 758b1fdd707f8b4610b0469e202b24ef [0,1,0,0,0,1|0,0,2]=4 1908 B12R1.264 C[C@H](OCc1cocn1)C(=O)N e2b763556a1074e5350da62f8eba7270 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.264 C[C@H](OCc1cocn1)C(=O)O 8c32c1073bb7eff7c8e7ff4f450a6c2b [0,1,0,0,0,1|1,0,0]=3 1910 B12R1.264 C[C@H](OCc1cscn1)C(=O)N 9770decaea9bb51d065a1574ee3ceb5c [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.264 C[C@H](OCc1cscn1)C(=O)O d6b5181fe037bd05d6c94c6238528047 [0,1,0,0,0,1|1,0,0]=3 1912 B12R1.264 C[C@H](OCc1nc[nH]n1)C(=O)N ca7a6fa9ba5ba5ae2c2b82f8f1cf7159 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.264 C[C@H](OCc1nc[nH]n1)C(=O)O 42f5c362843b53ba96cdb3bf0746faf5 [0,1,0,0,0,1|1,0,0]=3 1914 B12R1.264 C[C@H](OCc1ncc[nH]1)C(=O)O d6a26085f03e22437c39f324ec9e4d9d [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.264 C[C@H](OCc1ncco1)C(=O)O 832ea3f4438dc70ab384581770c03318 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.264 C[C@H](OCc1nccs1)C(=O)O 90fbaa5a64ba7191063de16e1d5de0b2 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.264 C[C@H](OCc1ncon1)C(=O)O 5f154291bb8b522d2ab33b2ada1aed2b [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.264 C[C@H](OCc1nn[nH]n1)C(=O)O ded4ce322cfb98d6272973b78ae0a88c [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.264 C[C@H](OCn1cccn1)C(=O)O bb998a859119d0bca824146ec999b092 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.264 C[C@H](OCn1cncn1)C(=O)O d3e67b7cc269a0ed4e68467d77e6c19f [0,1,0,0,0,1|1,0,1]=4 1921 B12R1.264 NC(=O)C(F)NCc1c[nH]nn1 56b15c9d99106c7886a1bdae6f3e785b [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.264 NC(=O)C(F)NCc1cc[nH]c1 8e305ad8eb5d960de9dc329eb6ae67ce [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.264 NC(=O)C(F)NCc1cscn1 240da5e86dd70e033713cb7cab713236 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.264 NC(=O)C(F)OCc1cscn1 99c2d7cbb7382b8e5b42bf79ac319603 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.264 NC(=O)C(F)OCc1nc[nH]n1 b7a4a1d9ecedfcaed1f73335d2ae264d [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.264 O=C(O)C(=O)CNc1cocn1 4899f746ab3785f55a773c63e494c41a [0,1,0,0,0,1|1,0,1]=4 1927 B12R1.264 O=C(O)C(=O)CNc1cscn1 c5f75aff9b38b8ebf815d59527a580db [0,1,0,0,0,1|1,0,1]=4 1928 B12R1.264 O=C(O)C(=O)CNc1nc[nH]n1 3a1b8449ac6c208b3a685b840f20677e [0,1,0,0,0,1|1,0,1]=4 1929 B12R1.264 O=C(O)C(=O)COc1c[nH]cn1 d67328faf347090424590d8d94cde91b [0,1,0,0,0,1|0,0,1]=3 1930 B12R1.264 O=C(O)C(F)CNc1c[nH]cn1 bb4690315184d6dc10be286b1626b0ba [0,1,0,0,0,1|0,0,0]=2 1931 B12R1.264 O=C(O)C(F)CNc1ccco1 47f66d077227cecf64f14590791c092c [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.264 O=C(O)C(F)CNc1cccs1 154685e7c16d28aaa4053f42d925eafe [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.264 O=C(O)C(F)CNc1ccoc1 b790d65f1b572b539cec8c13264170f8 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.264 O=C(O)C(F)CNc1ccon1 9d5753a5fe74294bc443401de97b9964 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.264 O=C(O)C(F)CNc1ccsc1 ee00a525ae925e98e2c8d87e1a1c5e99 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.264 O=C(O)C(F)CNc1cncs1 3d7f434c911361bd5ab2bd760e23f867 [0,1,0,0,0,1|1,0,1]=4 1937 B12R1.264 O=C(O)C(F)CNc1cnsn1 aa611ca349c08800e39e3256604b0567 [0,1,0,0,0,1|1,0,1]=4 1938 B12R1.264 O=C(O)C(F)CNc1nccs1 85fed85b33f8ac4cac9a2cc39fde68ea [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.264 O=C(O)C(F)CNc1ncns1 f8279a7d58b4f7d61128e43e84e1a916 [0,1,0,0,0,1|1,0,1]=4 1940 B12R1.264 O=C(O)C(F)NCc1c[nH]nn1 3441ac0d8f5e40f3b151c89902d0b4f6 [0,1,0,0,0,1|1,0,0]=3 1941 B12R1.264 O=C(O)C(F)NCc1ccc[nH]1 1f521af02f4442f9f16f9bed5c2ae584 [0,1,0,0,0,1|1,0,1]=4 1942 B12R1.264 O=C(O)C(F)NCc1ccon1 93bbd893d27ed96424af9fc4031f2d1d [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.264 O=C(O)C(F)NCc1nccs1 e0655ec18d46f3278cbcbd9e2b620c22 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.264 O=C(O)C(F)NCc1ncn[nH]1 34db099dc1b2198c8d501849aaafd607 [0,1,0,0,0,1|1,0,1]=4 1945 B12R1.264 O=C(O)C(F)OCc1ccc[nH]1 55a8816d24090e1374cf339290e5eba8 [0,1,0,0,0,1|1,0,1]=4 1946 B12R1.264 O=C(O)C(F)OCc1ccon1 992e229d4cbe7118c250e26f70da9747 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.264 O=C(O)C(F)OCc1nc[nH]n1 a7a32efd584cd2aefecde6c221958aa9 [0,1,0,0,0,1|1,0,0]=3 1948 B12R1.264 O=C(O)C(F)OCc1nccs1 e7e28bb7fee885bcf638914687262d04 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.264 O=C(O)C(F)OCn1cccn1 22e083bb9f70b42c13ff4ebd9ab40b2e [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.264 O=C(O)C(F)OCn1cncn1 ca7af2b4ce3ae1c3e66d7e7b3d56b873 [0,1,0,0,0,1|1,0,1]=4 1951 B12R1.264 O=C(O)C(O)CNc1cc[nH]n1 2f2c7aa1a2923f6e0a46bb301cb6b074 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.264 O=C(O)C(O)CNc1ccco1 3adfee59226b548cd1bd91b5c4bcbcc2 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.264 O=C(O)C(O)CNc1cccs1 dc210d17cc9994139be44384e13bd799 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.264 O=C(O)C(O)CNc1ccoc1 e2079c293eada4eabb2fe7711025dc8d [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.264 O=C(O)C(O)CNc1ccon1 3c9940abac85ce01e7fbbe655b9d6ee5 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.264 O=C(O)C(O)CNc1ccsc1 2dc0f67f0ac53525af2afcdd1c806935 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.264 O=C(O)C(O)CNc1ccsn1 473cb748e7c6ae8a0e73edb55c3d3290 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.264 O=C(O)C(O)CNc1cn[nH]c1 ec6958611f55db382531699d89ba78e3 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.264 O=C(O)C(O)CNc1cncs1 81e34056e195126f5e6b5b5f6e1ab7b3 [0,1,0,0,0,1|1,0,1]=4 1960 B12R1.264 O=C(O)C(O)CNc1cnon1 65d05aae42c3f9a6447e482ee635b4a6 [0,1,0,0,0,1|1,0,1]=4 1961 B12R1.264 O=C(O)C(O)CNc1cnsn1 f62dd44912e0d47e02932f3e56f91de4 [0,1,0,0,0,1|1,0,1]=4 1962 B12R1.264 O=C(O)C(O)CNc1cocn1 388cc67b99a8578564cf48b86b72dd81 [0,1,0,0,0,1|1,0,0]=3 1963 B12R1.264 O=C(O)C(O)CNc1cscn1 fe9e9990a6b8f1025608d830bb8febd8 [0,1,0,0,0,1|1,0,0]=3 1964 B12R1.264 O=C(O)C(O)CNc1nc[nH]n1 f74b014003e5f75e7b02b98ffc34511d [0,1,0,0,0,1|1,0,0]=3 1965 B12R1.264 O=C(O)C(O)CNc1ncc[nH]1 7b66c89deba50c31967bff7d4e5dcd32 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.264 O=C(O)C(O)CNc1ncco1 ad222085e61ad6781c0e4642c3c52e37 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.264 O=C(O)C(O)CNc1nccs1 cb71268a584cf447ce359121af0f592a [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.264 O=C(O)C(O)CNc1ncns1 9bafed44eccd7b132eb99e026f1b0059 [0,1,0,0,0,1|1,0,1]=4 1969 B12R1.264 O=C(O)C(O)CNc1ncon1 41c521272829dbaa5ec4603314df6237 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.264 O=C(O)C(O)CNc1nn[nH]n1 9848eeae3102bef30b6de450d47da4d5 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.264 O=C(O)C(O)NCc1ccco1 6207fbed09c8a679c1ea59efc3aa193b [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.264 O=C(O)C(O)NCc1cccs1 abf3250f71bbc4b8b83f4511bf154b8c [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.264 O=C(O)C(O)NCc1ccon1 f44773a6c449c9d61527e0debd1e5b43 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.264 O=C(O)C(O)NCc1ccsc1 017b43e8fd266ba8958c55525e699f81 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.264 O=C(O)C(O)NCc1cnc[nH]1 abf92b03229a8e69ad4a1efc841013cf [0,1,0,0,0,1|0,0,2]=4 1976 B12R1.264 O=C(O)C(O)NCc1cocn1 23d369fd7ce4115c7e2b99e447a3410d [0,1,0,0,0,1|1,0,0]=3 1977 B12R1.264 O=C(O)C(O)NCc1cscn1 5808dde616b51074a3f126940a1fe4ee [0,1,0,0,0,1|1,0,0]=3 1978 B12R1.264 O=C(O)C(O)NCc1nc[nH]n1 66b9dd5aa8d8c2cb1e5d89fb1959d4fa [0,1,0,0,0,1|1,0,0]=3 1979 B12R1.264 O=C(O)C(O)NCc1ncc[nH]1 c957bca5033c86d6c9d6c7028055246d [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.264 O=C(O)C(O)NCc1ncco1 2ae3a8f5c0ca1a2ff70eaeaf03c497ef [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.264 O=C(O)C(O)NCc1nccs1 db8eba28b62f380612a257de2bf57c8c [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.264 O=C(O)C(O)NCc1ncno1 08ebffddf80f9ef03a097a95f7299e48 [0,1,0,0,0,1|1,0,1]=4 1983 B12R1.264 O=C(O)C(O)NCc1ncon1 0abd1cc960e347d8b82c5f368a6a0100 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.264 O=C(O)C(O)NCn1cncn1 af1fd3369327d192108160700df0a3bd [0,1,0,0,0,1|1,0,1]=4 1985 B12R1.264 O=C(O)[C@@H](O)CNc1cc[nH]n1 90dbab956e38daa21f7440856ca305df [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.264 O=C(O)[C@@H](O)CNc1ccco1 9bc05dfbd9966ded5aca3d805afae0e3 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.264 O=C(O)[C@@H](O)CNc1cccs1 55776a097e5feb7925b7f1926d970d14 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.264 O=C(O)[C@@H](O)CNc1ccoc1 c1c29f11c7656e0e8de4233379fb6f1d [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.264 O=C(O)[C@@H](O)CNc1ccon1 19abc68830c7935defdf761f07cbaed8 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.264 O=C(O)[C@@H](O)CNc1ccsc1 def04efe3c8298e9f06db8710a4bf9af [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.264 O=C(O)[C@@H](O)CNc1ccsn1 103b3d973ea242e36970d58d79e1ab50 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.264 O=C(O)[C@@H](O)CNc1cn[nH]c1 94fb76460b69075d926a0a48be6a70eb [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.264 O=C(O)[C@@H](O)CNc1cncs1 6a8e15679757e1e3198c303d3bcf2dab [0,1,0,0,0,1|1,0,1]=4 1994 B12R1.264 O=C(O)[C@@H](O)CNc1cnon1 4b931369485630bbca59381ef2b5034e [0,1,0,0,0,1|1,0,1]=4 1995 B12R1.264 O=C(O)[C@@H](O)CNc1cnsn1 41751ddf0e69c2b62fad3ffe1a18daf6 [0,1,0,0,0,1|1,0,1]=4 1996 B12R1.264 O=C(O)[C@@H](O)CNc1cocn1 50815e042aa5afaf7edaa2ee1819ca98 [0,1,0,0,0,1|1,0,0]=3 1997 B12R1.264 O=C(O)[C@@H](O)CNc1cscn1 5d2648181e11a5f5fada8c128d5da88d [0,1,0,0,0,1|1,0,0]=3 1998 B12R1.264 O=C(O)[C@@H](O)CNc1nc[nH]n1 7061c730738382808f6c816943879a95 [0,1,0,0,0,1|1,0,0]=3 1999 B12R1.264 O=C(O)[C@@H](O)CNc1ncc[nH]1 819efc88efb1502d2e8d967343109ab2 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.264 O=C(O)[C@@H](O)CNc1ncco1 10db501e715d7de659ac484385efcada [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.264 O=C(O)[C@@H](O)CNc1nccs1 65bd488c3f43c7826f7684cd179409bd [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.264 O=C(O)[C@@H](O)CNc1ncns1 b5c66ccfb9afdfdd72aea50df83b573b [0,1,0,0,0,1|1,0,1]=4 2003 B12R1.264 O=C(O)[C@@H](O)CNc1ncon1 2ee808064279c81c730748270e3ca391 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.264 O=C(O)[C@@H](O)CNc1nn[nH]n1 6f7196b3fca37f2c2b1dbd8ea556f754 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.264 O=C(O)[C@H](F)NCc1ccc[nH]1 151cdb980a45dd9963475f3716396c83 [0,1,0,0,0,1|1,0,1]=4 2006 B12R1.264 O=C(O)[C@H](F)NCc1nccs1 a1e71c853f825e96b7b5f5b8736b9f77 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.264 O=C(O)[C@H](F)OCc1ccc[nH]1 e9845ea5908baa30e23ac64121a03e08 [0,1,0,0,0,1|1,0,1]=4 2008 B12R1.264 O=C(O)[C@H](F)OCc1nc[nH]n1 5f83a33441ff2db022ad361c6c05d15a [0,1,0,0,0,1|1,0,0]=3 2009 B12R1.264 O=C(O)[C@H](F)OCc1nccs1 e8d2dba9d2febae2f466d5c74382126f [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.264 O=C(O)[C@H](F)OCn1cccn1 6d58badda605454735ff7cd8304c8244 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.264 O=C(O)[C@H](F)OCn1cncn1 98e7573cfcd0fab8f534c63c94f17b59 [0,1,0,0,0,1|1,0,1]=4 2012 B12R1.264 O=C(O)[C@H](O)CNc1ccco1 8a3558ba898061a1b897176e7f21ec6b [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.264 O=C(O)[C@H](O)CNc1cccs1 677bfa3d040f51c788dcbfb418c99767 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.264 O=C(O)[C@H](O)CNc1ccoc1 0a27509104734f4cf39f40e03f1b4ade [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.264 O=C(O)[C@H](O)CNc1ccon1 d6d4dffc144e100b47beac18f4629c5a [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.264 O=C(O)[C@H](O)CNc1ccsc1 ab203d4f27e650014f6899f1b320328b [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.264 O=C(O)[C@H](O)CNc1ccsn1 15d3af0e037a80dd3112731b72ff1c5e [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.264 O=C(O)[C@H](O)CNc1cncs1 854d5adbbb3a127a5d573060525f9677 [0,1,0,0,0,1|1,0,1]=4 2019 B12R1.264 O=C(O)[C@H](O)CNc1cnsn1 8a2d9b2e7ccf5dd6850fc32fad8b5185 [0,1,0,0,0,1|1,0,1]=4 2020 B12R1.264 O=C(O)[C@H](O)CNc1ncco1 846a28de1cc1c45881ad8e9abc9f0f33 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.264 O=C(O)[C@H](O)CNc1nccs1 03a9608ff3edf9e2c5523e4d4342e737 [0,1,0,0,0,1|2,0,0]=4 2022 B12R1.264 O=C(O)[C@H](O)CNc1ncns1 c1dc51bc9ea021cbc38f00385c999d48 [0,1,0,0,0,1|1,0,1]=4 2023 B12R1.477 C#CC(=O)NCCc1cscn1 a8f1e6b4076ffe8db15f44f50fcd655e [0,1,0,0,0,1|2,0,0]=4 2024 B12R1.477 C=C(C=O)OCCc1c[nH]cn1 db3894dbd7905fadf75bc25b599d74bf [0,1,0,0,0,1|1,0,0]=3 2025 B12R1.477 C=C(C=O)OCCc1cscn1 6fdfcbfde022b3c3c8f05a565dc1128f [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.477 C=C(CNCc1c[nH]nn1)OC eba7c65221942c93f96a1ec1d2cefd12 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.477 C=C(CNCc1cc[nH]c1)OC ec7859f249a53d11eef9b0fe78887506 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.477 C=C(CNCc1cocn1)OC 25a834951fe82c4943662944ca58f571 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.477 C=C(CNCc1cscn1)OC 179522c9a0b98d2a12d526d474fd6721 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.477 C=C(CO)CNCc1c[nH]nn1 b1957812113274d81f668c62248ee5d6 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.477 C=C(CO)CNCc1cc[nH]c1 a7a90e18051a27f5841db1b1927e287f [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.477 C=C(CO)CNCc1cscn1 cbee13ad44952ad9a10f059c00472430 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.477 C=C(COCc1cc[nH]c1)OC 9ce8ce2aa27457cdfcf7946a40620ea1 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.477 C=C(COCc1cocn1)OC f95636c181487385fdf73137f4ca2825 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.477 C=C(COCc1cscn1)OC 1035483e38ddcee7b2a479f87e82acd5 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.477 C=C(COCc1nc[nH]n1)OC 12e4791d249477ac0dc5809005987680 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.477 C=CC(=O)NCCc1cscn1 0894a3a45733e8541e96f545d9759e65 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.477 CC(C=O)NCCc1c[nH]cn1 48397eddb29942d31ceb8d1e6c835987 [0,1,0,0,0,1|1,0,1]=4 2039 B12R1.477 CC(C=O)OCCc1c[nH]cn1 de62d2f1dca6fb66c128889f0a6be984 [0,1,0,0,0,1|1,0,1]=4 2040 B12R1.477 CC(CO)CCNc1c[nH]cn1 0f86ebe9a200ba52a9030d91fc0cba70 [0,1,0,0,0,1|1,0,1]=4 2041 B12R1.477 CC(CO)NCCc1c[nH]cn1 22bba351656d71bdcffec3e691358bda [0,1,0,0,0,1|1,0,1]=4 2042 B12R1.477 CCC(=O)CNCc1c[nH]nn1 13f103585e161ef5dbd43f88c7bf5b0a [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.477 CCC(=O)CNCc1cc[nH]c1 3646ce99cb3850a5ffbe344b8b893d81 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.477 CCC(=O)CNCc1cocn1 dd011e3559bf75fadd72430e14dbac9c [0,1,0,0,0,1|2,0,0]=4 2045 B12R1.477 CCC(=O)CNCc1cscn1 d491f51593036ddebedf462d232c01a1 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.477 CCC(=O)COCc1cc[nH]c1 fa7d9c089e529d4e0108123119c1b733 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.477 CCC(=O)COCc1cocn1 6d59998f171390b917675b20bbe92204 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.477 CCC(=O)COCc1cscn1 5d89f6bb2e9d50220da49645dd779fd0 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.477 CCC(=O)COCc1nc[nH]n1 75811db1242cc610c4da90bc79581b8a [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.477 CCC(=O)NCCc1cscn1 e43422e040109af83b4a33a11d9ce3d8 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.477 CCC(=O)OCOc1c[nH]cn1 70411d9f534680a83f1485c50d49b2de [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.477 CCS(=O)CCOc1c[nH]cn1 77c990ddf1de7b873b1385172a6b147d [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.477 CNC(=O)CCNc1c[nH]cn1 bfeb6a45e2aaeecb9853c7ce09da8187 [0,1,0,0,0,1|1,0,0]=3 2054 B12R1.477 CNC(=O)CCNc1c[nH]nn1 699fe259f725555d23693d900261b8d5 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.477 CNC(=O)CCNc1cocn1 c4043fc9ed8d4918ac85b81d24273912 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.477 CNC(=O)CCNc1cscn1 37019c241c625fd10a2688e6abd6a3cf [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.477 CNC(=O)CCNc1nc[nH]n1 2851e0ce4c4ee07cfe6406e382dca42d [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.477 CNC(=O)CCOc1c[nH]cn1 df3f99952d971a1f6d74c1b8b340f5f0 [0,1,0,0,0,1|1,0,0]=3 2059 B12R1.477 CNC(=O)CNCc1c[nH]nn1 4e31e77da06d4da91ae58c4423fc56b1 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.477 CNC(=O)CNCc1cc[nH]c1 8d49ad7f48d56c847c97f6a141cd5659 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.477 CNC(=O)CNCc1cocn1 f059b90a4aa1d935a381fb0ca60d6aee [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.477 CNC(=O)CNCc1cscn1 49564b67b237049bf97d6fb1baf1b37d [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.477 CNC(=O)COCc1cc[nH]c1 ce5ca1c7ae4c1bf121626cc8f5e0c76d [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.477 CNC(=O)COCc1cocn1 0ac0b8bdc6724a1bd0b839b6276c24bf [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.477 CNC(=O)COCc1cscn1 60741b25c6bb1921101f354a0e479738 [0,1,0,0,0,1|2,0,0]=4 2066 B12R1.477 CNC(=O)COCc1nc[nH]n1 260905ce4debbb74eb99a328a271e1e7 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.477 COC(=O)CCNc1c[nH]cn1 d3e7100295cc9c4173a5d5e088e4e84b [0,1,0,0,0,1|0,0,0]=2 2068 B12R1.477 COC(=O)CCNc1cc[nH]n1 e83ae027f68aa0721f9014a7ae85cf0b [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.477 COC(=O)CCNc1ccco1 e0e8335b06d744a1b449a668f80683a2 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.477 COC(=O)CCNc1cccs1 aaa9cfd402dcc2f0870ffeb2e27cdb33 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.477 COC(=O)CCNc1ccoc1 cd9fe1a05ac9607efe3f59fb39cb10ed [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.477 COC(=O)CCNc1ccon1 9a7b0f3cb73002b12804984cba150e99 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.477 COC(=O)CCNc1ccsc1 5a7de8c20b6493e29893888b88418681 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.477 COC(=O)CCNc1cn[nH]c1 50c1bc01f440455c483fbfb826938c3e [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.477 COC(=O)CCNc1cncs1 c85b5a86061163ba5371fe79f49906d4 [0,1,0,0,0,1|1,0,1]=4 2076 B12R1.477 COC(=O)CCNc1cnon1 06d203598af3df5e896054cb206ed77a [0,1,0,0,0,1|1,0,1]=4 2077 B12R1.477 COC(=O)CCNc1cnsn1 590e6c9f6bd4d37502ada57cf78b9d8a [0,1,0,0,0,1|1,0,1]=4 2078 B12R1.477 COC(=O)CCNc1cocn1 40197941e60de7319c7a49cd8fa1f01d [0,1,0,0,0,1|1,0,0]=3 2079 B12R1.477 COC(=O)CCNc1cscn1 a1893fc4fdf0707bc067f30778bf8a41 [0,1,0,0,0,1|1,0,0]=3 2080 B12R1.477 COC(=O)CCNc1nc[nH]n1 91d5713adedbbfe4780dd6fadb93fc81 [0,1,0,0,0,1|1,0,0]=3 2081 B12R1.477 COC(=O)CCNc1ncc[nH]1 6cf31b5ba76b4f282840ffadb299792d [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.477 COC(=O)CCNc1ncco1 564c4aa0fd0cd06a056f7a55919daa93 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.477 COC(=O)CCNc1nccs1 caa53ae87ad8b0c13a3f4004e97a15ec [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.477 COC(=O)CCNc1ncns1 91e22383d5ffe5cb8127a400a704654d [0,1,0,0,0,1|1,0,1]=4 2085 B12R1.477 COC(=O)CCNc1ncon1 df334332827b007c5a616f9f9e942d41 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.477 COC(=O)CCNc1ncsn1 f52c04ebda23ae639139bdf7489077d9 [0,1,0,0,0,1|2,0,0]=4 2087 B12R1.477 COC(=O)CCNc1nn[nH]n1 9c8db5394f00d7de4cc7345dd7f57dda [0,1,0,0,0,1|2,0,0]=4 2088 B12R1.477 COC(=O)CCOc1c[nH]cn1 b54cbaa4b8968a54eb60ee6fd3a9e0d5 [0,1,0,0,0,1|0,0,0]=2 2089 B12R1.477 COC(=O)CCOc1ccco1 649aeb6738bc8c896167b5648b168d5d [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.477 COC(=O)CCOc1cccs1 664ac22ce41f5e45b386b1395c7eb518 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.477 COC(=O)CCOc1ccsc1 f85a3d3b4b9cb98abe4a72092b2cae06 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.477 COC(=O)CCOc1cn[nH]c1 5290d08bf6965e5d8d426c155b57b70e [0,1,0,0,0,1|2,0,0]=4 2093 B12R1.477 COC(=O)CCOc1cnsn1 9a9436e14915fc8ca8f0622e118389c7 [0,1,0,0,0,1|1,0,1]=4 2094 B12R1.477 COC(=O)CCOc1nccs1 70757fda0370253a31ced362eb21071f [0,1,0,0,0,1|2,0,0]=4 2095 B12R1.477 COC(=O)CCOn1cccn1 1253141597efe25d491509151c96e37f [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.477 COC(=O)CNCc1c[nH]nn1 02eecaa08369a47b9520df95466f932a [0,1,0,0,0,1|1,0,0]=3 2097 B12R1.477 COC(=O)CNCc1cc[nH]c1 2f96fbab15c2435dde51b779077ea3fb [0,1,0,0,0,1|1,0,0]=3 2098 B12R1.477 COC(=O)CNCc1ccc[nH]1 dd41e28ea929e66af9ea0d101dfdd982 [0,1,0,0,0,1|1,0,1]=4 2099 B12R1.477 COC(=O)CNCc1ccco1 2bf3ed1f5d44112ec1c684ec23a4918a [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.477 COC(=O)CNCc1cccs1 01bbb1df4d37a3c8e183d57b1b059ae1 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.477 COC(=O)CNCc1ccoc1 d03ed4f4e284dcc2ec5030b0c51000a8 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.477 COC(=O)CNCc1ccon1 9ddf917472902b02eb7bda763b339da1 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.477 COC(=O)CNCc1ccsc1 0e4d12b2a0e456a4a51849aa26739b88 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.477 COC(=O)CNCc1ccsn1 bb666c72f94a12f2b187f2e3712d4f61 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.477 COC(=O)CNCc1cn[nH]c1 233a8fd706b7ee257c3749acde2d25c6 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.477 COC(=O)CNCc1cnc[nH]1 17d37df6a2402b4cca4f75027c3a1cab [0,1,0,0,0,1|0,0,2]=4 2107 B12R1.477 COC(=O)CNCc1cnco1 3598916c9b260aca5fb271b9e1fecb11 [0,1,0,0,0,1|1,0,1]=4 2108 B12R1.477 COC(=O)CNCc1cncs1 290a7cbdf9ec265030f4a2a4a5b8216c [0,1,0,0,0,1|1,0,1]=4 2109 B12R1.477 COC(=O)CNCc1cocn1 ae739ccfacea18c9b27110b47f3e1c0f [0,1,0,0,0,1|1,0,0]=3 2110 B12R1.477 COC(=O)CNCc1cscn1 e1283ba2aac20852917a08386567c98f [0,1,0,0,0,1|1,0,0]=3 2111 B12R1.477 COC(=O)CNCc1ncc[nH]1 ae5d0ff61bc52c6a3b1fb60778c7a5bc [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.477 COC(=O)CNCc1ncco1 e333a4656cc09e339d1b06f389312f40 [0,1,0,0,0,1|2,0,0]=4 2113 B12R1.477 COC(=O)CNCc1nccs1 918343a7e76456b719340683f127bf73 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.477 COC(=O)CNCc1ncn[nH]1 b396a67ec7ac3879090e0b55c5518e10 [0,1,0,0,0,1|1,0,1]=4 2115 B12R1.477 COC(=O)CNCc1ncon1 635b601a15358d6a14ad0913a927f19a [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.477 COC(=O)COCc1cc[nH]c1 df5caccfc2d2c597bab44f0c9a12d4b5 [0,1,0,0,0,1|1,0,0]=3 2117 B12R1.477 COC(=O)COCc1ccc[nH]1 17206b59383caa5cb2a5dd4187c8aac8 [0,1,0,0,0,1|1,0,1]=4 2118 B12R1.477 COC(=O)COCc1ccco1 185a389c71177752b8db1093a565458c [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.477 COC(=O)COCc1cccs1 7313aa22ef222247eb9faa1630bead64 [0,1,0,0,0,1|2,0,0]=4 2120 B12R1.477 COC(=O)COCc1ccoc1 6b0a3aa828cd4d5c754dad7354fa29e6 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.477 COC(=O)COCc1ccon1 c20062fbfb99a688640c70bf87c4b86e [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.477 COC(=O)COCc1ccsc1 dd774fa526a1ce75d2bdd3886de44f5d [0,1,0,0,0,1|2,0,0]=4 2123 B12R1.477 COC(=O)COCc1ccsn1 e9743a067d41355b036b45a7d76a8083 [0,1,0,0,0,1|2,0,0]=4 2124 B12R1.477 COC(=O)COCc1cn[nH]c1 5d7f29d3b18481a3d0c71cffefc732d0 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.477 COC(=O)COCc1cnc[nH]1 4e1f2a27c76358fb309c0e183b2474f3 [0,1,0,0,0,1|0,0,2]=4 2126 B12R1.477 COC(=O)COCc1cnco1 d779b1e02ac688be5f32e8f00648ff46 [0,1,0,0,0,1|1,0,1]=4 2127 B12R1.477 COC(=O)COCc1cncs1 0d694ad3cb759a6e9156e1fd7aa86bf7 [0,1,0,0,0,1|1,0,1]=4 2128 B12R1.477 COC(=O)COCc1cnsn1 b1dca94c87ac8c24989dafc7795c1562 [0,1,0,0,0,1|1,0,1]=4 2129 B12R1.477 COC(=O)COCc1cocn1 744f606dadbd654185db37c77bc908f2 [0,1,0,0,0,1|1,0,0]=3 2130 B12R1.477 COC(=O)COCc1cscn1 6c19dd2734d0618f34ca651a9ea1a9d1 [0,1,0,0,0,1|1,0,0]=3 2131 B12R1.477 COC(=O)COCc1csnn1 b49f17fdab34429cc2c7ecccc3e4435a [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.477 COC(=O)COCc1nc[nH]n1 a823e48b9c220930b25c6f16d7567c9d [0,1,0,0,0,1|1,0,0]=3 2133 B12R1.477 COC(=O)COCc1ncc[nH]1 830912d20bc251105d2acb6a12548f73 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.477 COC(=O)COCc1ncco1 b6480ba64dd750e1a310cd3c5bba6eb9 [0,1,0,0,0,1|2,0,0]=4 2135 B12R1.477 COC(=O)COCc1nccs1 6447c44687eacdadcb685b819f978ebf [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.477 COC(=O)COCc1ncno1 23216886643fde353c2811a825a4c306 [0,1,0,0,0,1|1,0,1]=4 2137 B12R1.477 COC(=O)COCc1ncns1 a73b6e3c99578b871d0c1b46edee8baa [0,1,0,0,0,1|1,0,1]=4 2138 B12R1.477 COC(=O)COCc1ncon1 b4e6afc8242a1872c771c7d68ac5c381 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.477 COC(=O)COCc1nn[nH]n1 d3e334f53f8d19c9cd09f21b27db5ceb [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.477 COC(=O)COCn1cccn1 a9ded25ede65b2222b803b8a5afd5c7e [0,1,0,0,0,1|2,0,0]=4 2141 B12R1.477 COC(=O)COCn1cncn1 d31d205a5e0c71a1a58f6708d38272fa [0,1,0,0,0,1|1,0,1]=4 2142 B12R1.477 COC(=O)OCOc1c[nH]cn1 b16c64d93bb78a36b7d331b58436eb01 [0,1,0,0,0,1|1,0,0]=3 2143 B12R1.477 C[C@@H](CO)CCNc1c[nH]cn1 ad0bc57ab77b8a14bd46428414c25cf4 [0,1,0,0,0,1|1,0,1]=4 2144 B12R1.477 C[C@@H](CO)NCCc1c[nH]cn1 ec379b0a65293e8e5c6c3f12e8054b17 [0,1,0,0,0,1|1,0,1]=4 2145 B12R1.477 C[C@H](C=O)NCCc1c[nH]cn1 32ecc67715ca31906132459af6625335 [0,1,0,0,0,1|1,0,1]=4 2146 B12R1.477 C[C@H](C=O)OCCc1c[nH]cn1 93be87937152a22aebefb240afd1951b [0,1,0,0,0,1|1,0,1]=4 2147 B12R1.477 C[C@H](CO)NCCc1c[nH]cn1 95fff0dedc9404a9e26fa5a6a97e002e [0,1,0,0,0,1|1,0,1]=4 2148 B12R1.477 O=C(CCNc1c[nH]cn1)NO 04220e2f1a03a68b0a5669410625d433 [0,1,0,0,0,1|0,0,0]=2 2149 B12R1.477 O=C(CCNc1cc[nH]n1)NO 5932e3846d8be10ea0e1cb58493335a0 [0,1,0,0,0,1|2,0,0]=4 2150 B12R1.477 O=C(CCNc1ccco1)NO 43b578ed31a826b423d864d6cf1b45aa [0,1,0,0,0,1|2,0,0]=4 2151 B12R1.477 O=C(CCNc1cccs1)NO e6af7d8c40cb8b89b506e867fe88460a [0,1,0,0,0,1|2,0,0]=4 2152 B12R1.477 O=C(CCNc1ccoc1)NO 95533660ced0b1e42b253c6ac2978718 [0,1,0,0,0,1|2,0,0]=4 2153 B12R1.477 O=C(CCNc1ccsc1)NO 29b0fc6c131785cc75c49f0467060fb2 [0,1,0,0,0,1|2,0,0]=4 2154 B12R1.477 O=C(CCNc1ccsn1)NO 151cabe91ad5393b6cdcf27b96c7d8b6 [0,1,0,0,0,1|2,0,0]=4 2155 B12R1.477 O=C(CCNc1cn[nH]c1)NO a5e798286e72b6d5825f7a40e0b8dddb [0,1,0,0,0,1|2,0,0]=4 2156 B12R1.477 O=C(CCNc1cncs1)NO 587d6d1de4e3bc69597c56a7bdc711a5 [0,1,0,0,0,1|1,0,1]=4 2157 B12R1.477 O=C(CCNc1cnsn1)NO 30c59694750212298d5a77b1d45b1d40 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.477 O=C(CCNc1ncc[nH]1)NO 787ddb783263b1c0d3fa9b49c5acef1f [0,1,0,0,0,1|2,0,0]=4 2159 B12R1.477 O=C(CCNc1ncco1)NO 88dc1fe17a2596b9b417a4f48c39663a [0,1,0,0,0,1|2,0,0]=4 2160 B12R1.477 O=C(CCNc1nccs1)NO dc09a1eae192e74acf521ad1da0f312a [0,1,0,0,0,1|2,0,0]=4 2161 B12R1.477 O=C(CCNc1ncns1)NO 7796f16ada4f2c5204ab40be8ae7bbc2 [0,1,0,0,0,1|1,0,1]=4 2162 B12R1.477 O=C(CF)NCCc1cscn1 2744a12092b97175a0d80c5b58356bb3 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.477 O=C(CNCc1ccco1)NO b5209eb00d5583d9ef71edc99d9eaa76 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.477 O=C(CNCc1cccs1)NO 359daedf57241058446de2480c5cebfb [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.477 O=C(CNCc1ccon1)NO 8f43f0284c7e7bacec516263578ee3c7 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.477 O=C(CNCc1ccsc1)NO 434ec08da462679ba2e085f7ca823cf3 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.477 O=C(CNCc1cnc[nH]1)NO c4b289b9adef9521761ffe2969b1fb34 [0,1,0,0,0,1|0,0,2]=4 2168 B12R1.477 O=C(CNCc1cnco1)NO 7b2fd21a5ae966171381a3a3ab830352 [0,1,0,0,0,1|1,0,1]=4 2169 B12R1.477 O=C(CNCc1cocn1)NO 74c521eaabaf16bc0f598438fdaf70f7 [0,1,0,0,0,1|1,0,0]=3 2170 B12R1.477 O=C(CNCc1cscn1)NO b1ecc64b492a61adfa4b759679985e02 [0,1,0,0,0,1|1,0,0]=3 2171 B12R1.477 O=C(CNCc1nc[nH]n1)NO 576b9013eabd19212be877e11d5b131c [0,1,0,0,0,1|1,0,0]=3 2172 B12R1.477 O=C(CNCc1ncc[nH]1)NO 4d28ae5ed687ff4849616cbcdf336701 [0,1,0,0,0,1|2,0,0]=4 2173 B12R1.477 O=C(CNCc1ncco1)NO 75a387e3f74c5c0647ce1c98ff634f50 [0,1,0,0,0,1|2,0,0]=4 2174 B12R1.477 O=C(CNCc1nccs1)NO ae802ab857fb4050c87b624cba9e1269 [0,1,0,0,0,1|2,0,0]=4 2175 B12R1.477 O=C(CNCc1ncno1)NO babe95fceb08cfa40e8937e80893e3a6 [0,1,0,0,0,1|1,0,1]=4 2176 B12R1.477 O=C(CNCc1ncon1)NO 02211fe3b7e6b572fa8e09543734b7ce [0,1,0,0,0,1|2,0,0]=4 2177 B12R1.477 O=C(CNCn1cncn1)NO 88c88ed3b900cadc787ad03b838a227a [0,1,0,0,0,1|1,0,1]=4 2178 B12R1.477 O=C(CO)CNCc1c[nH]nn1 c0427b6a44bcead199842f628403d2c7 [0,1,0,0,0,1|1,0,0]=3 2179 B12R1.477 O=C(CO)CNCc1cc[nH]c1 cdd5e4705ae293a5856dca531304f580 [0,1,0,0,0,1|1,0,0]=3 2180 B12R1.477 O=C(CO)CNCc1ccc[nH]1 cb70c0c9bad6f9c6747fe4d167164893 [0,1,0,0,0,1|1,0,1]=4 2181 B12R1.477 O=C(CO)CNCc1ccco1 d8cc6500cc77cfd6bde88c6313aea249 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.477 O=C(CO)CNCc1cccs1 1999440da216a8c47c747f181d5094af [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.477 O=C(CO)CNCc1ccoc1 7131601d7602286f7462856b3294b95c [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.477 O=C(CO)CNCc1ccon1 475270d1030a9e69d3ebac9dd500718c [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.477 O=C(CO)CNCc1ccsc1 e928a51421c545e88fa2bd992bc0cfae [0,1,0,0,0,1|2,0,0]=4 2186 B12R1.477 O=C(CO)CNCc1ccsn1 17950388289f2ae28f0b45ba9df30475 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.477 O=C(CO)CNCc1cn[nH]c1 21f1ab65e9f3d9ef03e0bcc7b7d0a17a [0,1,0,0,0,1|2,0,0]=4 2188 B12R1.477 O=C(CO)CNCc1cnco1 741ec2d9167a12c96abd983c41ff05b3 [0,1,0,0,0,1|1,0,1]=4 2189 B12R1.477 O=C(CO)CNCc1cncs1 f91e65168ff5e67a9c4a50ed986fc2c4 [0,1,0,0,0,1|1,0,1]=4 2190 B12R1.477 O=C(CO)CNCc1cocn1 0b9006a1afdfe9fc0a978fcab7152aad [0,1,0,0,0,1|1,0,0]=3 2191 B12R1.477 O=C(CO)CNCc1cscn1 3be04622fe03d5b2730cae47298ca6af [0,1,0,0,0,1|1,0,0]=3 2192 B12R1.477 O=C(CO)CNCc1ncc[nH]1 635878f63c43d97ba0920a850e935ca6 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.477 O=C(CO)CNCc1ncco1 1e26cfb9808fe5d0aca2ab36336d1226 [0,1,0,0,0,1|2,0,0]=4 2194 B12R1.477 O=C(CO)CNCc1nccs1 31fc91e75a714e62b92cf8d455646144 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.477 O=C(CO)CNCc1ncn[nH]1 78083b15f54af767d352caebb53c2621 [0,1,0,0,0,1|1,0,1]=4 2196 B12R1.477 O=C(CO)NCCc1ccco1 ad96d88f7253f10830cfafa1d4f43183 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.477 O=C(CO)NCCc1cccs1 9f2e0da32d88862d93c942c60f2d338a [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.477 O=C(CO)NCCc1ccsc1 fac9a46f75f682642febcf6e3578e9e2 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.477 O=C(CO)NCCc1cscn1 12ded82859b41536ba50cea5e6e9e01d [0,1,0,0,0,1|1,0,0]=3 2200 B12R1.477 O=C(CO)NCCc1nccs1 a4940d2425d04c4f1141e2c040b6a8ac [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.477 O=C(CO)NCCn1cccn1 ad3999d31d973f413eb3a2bd27c2a3db [0,1,0,0,0,1|2,0,0]=4 2202 B12R1.477 O=C(CO)NCCn1cncn1 a451064a916c51d6f49af0d88364a5e5 [0,1,0,0,0,1|1,0,1]=4 2203 B12R1.477 O=C(CS)NCCc1cscn1 c53042598e6dd9a97dd1fb84e233fd2d [0,1,0,0,0,1|1,1,0]=4 2204 B12R1.477 O=CC(=O)NCCc1cscn1 40254cebd73a277e9fa9269409db4b13 [0,1,0,0,0,1|1,0,1]=4 2205 B12R1.477 OCC(O)CCNc1c[nH]cn1 1cb8657f85fb473b61274fecd6068699 [0,1,0,0,0,1|0,0,2]=4 2206 B12R1.890 CC(C)(O)CCNc1c[nH]cn1 d9d66d9d3892d1faabd79ece7e060bd0 [0,1,0,0,0,1|1,0,1]=4 2207 B12R1.890 CC(C)(O)CCOc1c[nH]cn1 c4ca76b63c9077c0596fd38834c0fceb [0,1,0,0,0,1|1,0,1]=4 2208 B12R1.890 CS(=O)(=O)CCNc1c[nH]cn1 21e1331c5d36a0e2ccc683d4cbc4e588 [0,1,0,0,0,1|1,0,1]=4 2209 B12R1.890 CS(=O)(=O)CCOc1c[nH]cn1 1a3854df1a5c3790777a9d79bf0fc2dd [0,1,0,0,0,1|1,0,1]=4 2210 B12R1.890 NS(=O)(=O)CCNc1c[nH]cn1 1f164cd00694e1b896e2c57c93b53f92 [0,1,0,0,0,1|1,0,1]=4 2211 B12R1.890 O=S(=O)(O)CCNc1c[nH]cn1 df4d51e2e03ff1efd9663f3c51be6d96 [0,1,0,0,0,1|1,0,0]=3 2212 B12R1.890 O=S(=O)(O)CCNc1c[nH]nn1 ca5ed75282f8f5773b13c64b7d9b4ff9 [0,1,0,0,0,1|2,0,0]=4 2213 B12R1.890 O=S(=O)(O)CCNc1cocn1 033dd03f11dde53ab3f8a5abb6876e7b [0,1,0,0,0,1|2,0,0]=4 2214 B12R1.890 O=S(=O)(O)CCNc1cscn1 be1d70abbd81ce1331b0fac67c202231 [0,1,0,0,0,1|2,0,0]=4 2215 B12R1.890 O=S(=O)(O)CCNc1nc[nH]n1 1d0c172493af6366a39bebcb1b15c768 [0,1,0,0,0,1|2,0,0]=4 2216 B12R1.890 O=S(=O)(O)CCOc1c[nH]cn1 009454da9cccda8649911a4ef1137f82 [0,1,0,0,0,1|1,0,0]=3 2217 B12R1.890 O=S(=O)(O)CNCc1c[nH]nn1 dc85f899dd03fc1f42e4d9ebf4b48c15 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.890 O=S(=O)(O)CNCc1cc[nH]c1 33476d913ae04a56903493d650abef0d [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.890 O=S(=O)(O)CNCc1cocn1 d64b3b4d64b8fb9b1f66092d44ae7f07 [0,1,0,0,0,1|2,0,0]=4 2220 B12R1.890 O=S(=O)(O)CNCc1cscn1 2e8d13aa0e3441a505718b5701d0bebd [0,1,0,0,0,1|2,0,0]=4 2221 B12R1.890 O=S(=O)(O)CNCc1nc[nH]n1 28b1b4db86b70b9b9c3fa447552647d6 [0,1,0,0,0,1|2,0,0]=4 2222 B12R1.890 O=S(=O)(O)COCc1nc[nH]n1 c3d2664c3b6fb14f4806ea9bee7e925f [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.15 CC(NC(=O)CO)c1cscn1 e020e5fa7a2fc4acf674acc2b4218765 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.15 CNC(=O)CN(C)c1c[nH]cn1 75229e33a2b24c1600a7f1dcc97ad22a [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.15 COC(=O)CN(C)c1c[nH]cn1 03647c6a582d5fb9d55cdac3903884b3 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.15 COC(=O)CN(C)c1c[nH]nn1 c09202fa854feec445c08d8ae4e73fd4 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.15 COC(=O)CN(C)c1cocn1 0f426f256d17e0ec1ea19905f429bb3a [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.15 COC(=O)CN(C)c1cscn1 67cdae6b9a0da9fc17de1832c62b4161 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.26 C#CC(=O)NCc1cn(cn1)C 74a05a3dc986dd55a40a3a9d5752f8a7 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.26 C=C(CNc1cn(cn1)C)OC cdbc6b80fc9cb03ff6bd548b0d5452bb [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.26 C=C(CO)CNc1cn(cn1)C 28c12a8ff6c0d8f114148109d19f2b8d [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.26 C=CC(=O)NCc1cn(cn1)C 890baaf377128d906261472410f518b4 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.26 CCC(=O)CNc1cn(cn1)C 8a7deafa89f3732d63062099cf6d0429 [0,2,0,0,0,0|2,0,0]=4 2234 B12R1.26 CCC(=O)NCc1cn(cn1)C d975e773ab3afe63686da821978211ea [0,2,0,0,0,0|2,0,0]=4 2235 B12R1.26 CNC(=O)CNc1cn(cn1)C 2eab482df630aefd3d8caac92da6b4ab [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.26 COC(=O)CNc1c[nH]c(n1)N 1923263df3b023cdbbc857f86de2b7d8 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.26 COC(=O)CNc1cn(cn1)C ff97550bdf4d84c76d5ee90f0ca8660f [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.26 COC(=O)CNc1cn(nn1)C 4fb641e648cda3ca4e5e157e41a1c8bc [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.26 COC(=O)CNc1coc(n1)N 70c8a35aec1bb1f1230b8d36da851640 [0,2,0,0,0,0|2,0,0]=4 2240 B12R1.26 COC(=O)CNc1csc(n1)Br 7f696163e0ab2b656bdb22ea69035a5f [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.26 COC(=O)CNc1csc(n1)N 5b55b5f946b19dc3372f18b3d03c3e48 [0,2,0,0,0,0|2,0,0]=4 2242 B12R1.26 COC(=O)CNc1n[nH]c(n1)Br f79b879f02f4103451e8589150426047 [0,2,0,0,0,0|2,0,0]=4 2243 B12R1.26 COC(=O)CNc1n[nH]c(n1)S cfe38944fb327e3167d92a93ddf30602 [0,2,0,0,0,0|2,0,0]=4 2244 B12R1.26 COC(=O)CNc1ncn(n1)C cad0e5b5d60315e1ac07fdcb5c4d70fb [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.26 COC(=O)COc1n[nH]c(n1)C eaa802d63f682cc2f8b8b973c343d262 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.26 Cc1nc(co1)CNC(=O)CO eda2f954037d896441f0ccd304b92e8e [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.26 Cc1nc(cs1)CNC(=O)CO 7fa3e49f0ad30feeab4f2f0b3a055bdc [0,2,0,0,0,0|2,0,0]=4 2248 B12R1.26 Cn1cc(nn1)CNC(=O)CO 49fed1da6d55240980af1a5e34d28b14 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.26 Cn1cc(nn1)NCC(=O)CO d2ce9cf134a1a25cea54e50d206c6e94 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.26 Cn1cnc(c1)CNC(=O)C=O 4ae049689121bd50056ad8b6b9ac50a3 [0,2,0,0,0,0|1,0,1]=4 2251 B12R1.26 Cn1cnc(c1)CNC(=O)CF 1c6c374cc3887607493cea3dcfed7f90 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.26 Cn1cnc(c1)CNC(=O)CO a6822ae4c3ae1c6f0b9ddde183dd749f [0,2,0,0,0,0|1,0,0]=3 2253 B12R1.26 Cn1cnc(c1)CNC(=O)CS 7ce6d1cbf802cd6d2de9fa5275e90255 [0,2,0,0,0,0|1,1,0]=4 2254 B12R1.26 Cn1cnc(c1)NCC(=O)CO 3c5885a2a6f144431a8ea359cb25e107 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.26 Cn1cnc(c1)NCC(=O)NO d2c619f613c7c2ea32196218d71f90ba [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.26 Cn1cnc(n1)CNC(=O)CO e124511d1646171dcc9f90f0ea406e09 [0,2,0,0,0,0|2,0,0]=4 2257 B12R1.26 Cn1cnc(n1)NCC(=O)CO a09914cdea11b1787816b0ba0bf0a2a4 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.26 Nc1nc(co1)NCC(=O)NO 938081a9a9cfad37c7369d3e1aeb9dd4 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.26 O=C(CO)CNc1csc(n1)Br dc20da1098bd8edd0627bd54c319de07 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.26 O=C(CO)CNc1n[nH]c(n1)Br 0c16100d25fd238a61ad5f946e8d6ac5 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.26 O=C(CO)CNc1n[nH]c(n1)S cc36eb45051c9a873aefbb92823fc7ac [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.26 O=C(CO)NCc1csc(n1)Br 960f5e317ebcb6f127c187b4ab8de1ab [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.26 O=C(CO)NCc1csc(n1)Cl 31184db832857399afac47ba1fd52191 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.51 C=COC(=O)CNc1cocn1 056bda7b679d588bb760e4886c6c8631 [0,2,0,0,0,0|2,0,0]=4 2265 B12R1.51 C=COC(=O)CNc1cscn1 92e743f9135a54aae86d5dc6e4f44ab5 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.51 C=COC(=O)CNc1nc[nH]n1 2741a451c9b8673952fa4745a28319af [0,2,0,0,0,0|2,0,0]=4 2267 B12R1.51 C=COC(=O)COc1c[nH]cn1 235be1d5820f1cf1cf0302137b78358c [0,2,0,0,0,0|1,0,0]=3 2268 B12R1.51 CCCC(=O)COc1c[nH]cn1 2306ec5fa7f93c30ab3e6ce854e28db6 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.51 CCNC(=O)CNc1c[nH]cn1 24b89a6017f06842151e8d95a8c25b5b [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.51 CCNC(=O)COc1c[nH]cn1 0cb43cd528d541b04343a4d2d1503d9e [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.51 CCOC(=O)CNc1c[nH]cn1 f3698b7f6ed87fa48618bafd1c6f8600 [0,2,0,0,0,0|1,0,0]=3 2272 B12R1.51 CCOC(=O)CNc1c[nH]nn1 27a45a4218cd564bd7a10979ef3c0eab [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.51 CCOC(=O)CNc1cocn1 e3c9481ab16aac010913117445cd4877 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.51 CCOC(=O)CNc1cscn1 4236078c721aef804ff2205e6104651a [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.51 CCOC(=O)CNc1nc[nH]n1 33ff067af74e4af64d0570abdadf96ab [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.51 CCOC(=O)COc1c[nH]cn1 ec2de14db306cd4a8cfe2cf9b025dd70 [0,2,0,0,0,0|1,0,0]=3 2277 B12R1.51 CN(CCO)CCc1c[nH]cn1 371e58bd66cbeee16f66ca6f11c91b78 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.51 COCC(=O)CNc1cocn1 bdebec3a5039ce5bca7679883272fe87 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.51 COCC(=O)COc1c[nH]cn1 9708638be7378d82e71f50da5dccf8d5 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.51 COCC(=O)NCc1cocn1 48c8892bf2720737ec8e078700d1bd47 [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.51 COCC(=O)NCc1cscn1 699c2eeab6776bbe5525164a7d3e9592 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.51 NOCC(=O)NCc1cocn1 ce635f22934e19c70c436ac2ad3891c4 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.51 NOCC(=O)NCc1cscn1 ff44371f377e38437261c2d8128b3ceb [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.51 O=C(CCO)NCc1cocn1 f9cffffa06370b8451183dc98b2ae6ae [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.51 O=C(CCO)NCc1cscn1 8bb97a488ddcaa7dde78a9c88a959d75 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.51 O=C(CNc1cocn1)NCO 42d686a50d24999a3740b0645876286e [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.51 O=C(CNc1cscn1)NCO 6fcd0c29a2a41c875db49d7c598a7ea9 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.51 O=C(CNc1nc[nH]n1)NCO 2b7a7226ae9aa9899b5dc0c7923da3c7 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.108 CCC(=O)C(C)Oc1c[nH]cn1 8a9f90a99af7b227102a725a07bb20d8 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.108 CNC(=O)C(C)Nc1c[nH]cn1 8e018bfa53d3845aae6f539c4b46710b [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.108 CNC(=O)C(C)Oc1c[nH]cn1 7a389b174b84de1272fa3c0f36d672ed [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.108 COC(=O)C(C)Nc1cscn1 7348e859c3868d48ef40094557f50c15 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.108 COC(=O)C(C)Nc1nc[nH]n1 db9568ef92e31c64e508c641e0fa0c3c [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.108 COC(=O)C(C)Oc1c[nH]cn1 76c027816c7b12df56ca761e759e66d3 [0,2,0,0,0,0|1,0,0]=3 2295 B12R1.108 COC(=O)[C@@H](C)Nc1cscn1 02bcf75853fbea4e6fe086dc6f87c231 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.108 COC(=O)[C@@H](C)Nc1nc[nH]n1 ef57307213a572947c5bd3cc43c195dc [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.108 COC(=O)[C@@H](C)Oc1c[nH]cn1 1ccb578bd761ea743e5bd5a1d47a134c [0,2,0,0,0,0|1,0,0]=3 2298 B12R1.108 COC(=O)[C@H](C)Nc1cscn1 d506ffe8638ec2cd841cc4b10e722d7c [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.108 COC(=O)[C@H](C)Nc1nc[nH]n1 efbf645341f22702b370f2c55bb51194 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.108 COC(=O)[C@H](C)Oc1c[nH]cn1 66b31d2b2566513a55aeb5f3c269b89b [0,2,0,0,0,0|1,0,0]=3 2301 B12R1.353 COC(=O)CNc1ncsc1Br d28e3fd8c9f55b72941717dd54d467cd [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.353 COC(=O)CNc1no[nH]c1=O a939d215cb5ae7fe265cc6028b21bcb5 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.353 Cc1ocnc1CNC(=O)CO 93dc05a166c8097cad36dcf0c8a7be3d [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.353 O=C(CO)CNc1ncsc1Br da04e1d9af6ce323805e35a8b1d90db7 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.353 O=C(CO)CNc1no[nH]c1=O 3ce1552e285b0e10beade3947d0bd38d [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.104 CC(=O)C(C)Nc1cn(cn1)C 9675db538746bceb953b275f744fb81b [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.104 CC(=O)N(C)Cc1cn(cn1)C 7417758176f866c3099a629998308c54 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.104 CC(Nc1cn(cn1)C)C(=O)N 1bc1247c8b54eca4d9cf953c749a2c21 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.104 CC(Nc1cn(cn1)C)C(=O)O 877a775d08ef06743f09bcae2591700b [0,2,0,0,0,0|1,0,0]=3 2310 B12R1.104 CC(Nc1cn(nn1)C)C(=O)O e9b2dedcfdef6de17f2aa9929f4a19f8 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.104 C[C@@H](Nc1cn(cn1)C)C(=O)N bcad8198a2e9f81333d7d14dee840e90 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.104 C[C@@H](Nc1cn(cn1)C)C(=O)O 104747ebf14ce64503dd381137dcd716 [0,2,0,0,0,0|1,0,0]=3 2313 B12R1.104 C[C@@H](Nc1cn(nn1)C)C(=O)O 0690ded1f9dbfc7b09ed9fe9bbd72b48 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.104 C[C@H](Nc1cn(cn1)C)C(=O)N da48ec7df36d4ec046e9d3dd97df8858 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.104 C[C@H](Nc1cn(cn1)C)C(=O)O 3f7fd745b41153ee4429f9ae7503aada [0,2,0,0,0,0|1,0,0]=3 2316 B12R1.104 C[C@H](Nc1cn(nn1)C)C(=O)O 6a0d466bfa34c17a75e07c41f897453d [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.104 Cc1nc(n[nH]1)OC(C)C(=O)O f71c664690d72ff7df87db00dfadf104 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.104 Cc1nc(n[nH]1)O[C@@H](C)C(=O)O 3cbd52265909f3e4ead21dda4e4b06b6 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.104 Cc1nc(n[nH]1)O[C@H](C)C(=O)O 93689810cb828c791c29e2c5f9458880 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.104 Cn1cnc(c1)NC(F)C(=O)N d37b077d704a6b6df30d171a9c4a7381 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.104 Cn1cnc(c1)NC(F)C(=O)O e4b8de17394d92b23a371b1af1a87651 [0,2,0,0,0,0|1,0,0]=3 2322 B12R1.104 Cn1cnc(c1)N[C@@H](F)C(=O)O b9186fe8aff156880a64abd4262a553e [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.120 CC(C(=O)N)N(C)c1c[nH]cn1 ace02244b4f664e7a85d3340ba36c6a3 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.120 C[C@@H](C(=O)N)N(C)c1c[nH]cn1 175f93c7590e7f6fc9a9907772ab1ae9 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.298 CCC(Nc1c[nH]cn1)C(=O)N 9f38165bcb6253a1565f4deac7ab0f13 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.298 CCC(Nc1cscn1)C(=O)O 4971cf37ccb80a0752ad1ac8cd60ded8 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.298 CCC(Oc1c[nH]cn1)C(=O)N a9eec9aedf34bfb9b33fc5a64589f4a7 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.298 CCC(Oc1c[nH]cn1)C(=O)O cc4b68a7955fa94a00522c8ff428d6ee [0,2,0,0,0,0|1,0,0]=3 2329 B12R1.298 CC[C@@H](Nc1cscn1)C(=O)O b509e4c132a442c6157a59ecbcb517f2 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.298 CC[C@@H](Oc1c[nH]cn1)C(=O)O 53d1bb2d2504bfea1f92530bbe9783e1 [0,2,0,0,0,0|1,0,0]=3 2331 B12R1.298 CC[C@H](Nc1c[nH]cn1)C(=O)N 746c1d6c5404cddb5832c4ed9db79281 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.298 CC[C@H](Nc1cscn1)C(=O)O 7323bbde9129286909028643a1c802c3 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.298 CC[C@H](Oc1c[nH]cn1)C(=O)O 827e4581f933484142341711d2d43b48 [0,2,0,0,0,0|1,0,0]=3 2334 B12R1.298 NC(=O)C(CO)Nc1c[nH]cn1 94cc70e5fe0714662543d062f6d0e089 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.298 NC(=O)[C@H](CO)Nc1c[nH]cn1 acdf4d0ec1670c9a9c6e3ff4c9445c6b [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.298 O=C(O)C(CF)Nc1cscn1 ba765233a8b64bdf8f7a5bea103484f4 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.298 O=C(O)C(CF)Nc1nc[nH]n1 4bd39ce1ce84cd06957a8ff5853c2585 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.298 O=C(O)C(CF)Oc1c[nH]cn1 371097feaa6c4d1e2911d954d02f6899 [0,2,0,0,0,0|1,0,0]=3 2339 B12R1.298 O=C(O)[C@H](CO)Nc1cscn1 bc7fce9f366442569ae12cf624e59d5b [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.298 O=C(O)[C@H](CO)Nc1nc[nH]n1 2c6c029a7ea7867b26fa861e15b3a673 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.1373 CC(=O)C(C)(C)Nc1c[nH]cn1 047323e3b10e402a06de3c6de0228989 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.1373 CC(C)(Nc1c[nH]cn1)C(=O)N 501b7af30d4b73d1032293976aaa0e6b [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.59 CCc1nc(c[nH]1)NCC(=O)N 57417c34628b6968d064c8d4928ee8aa [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.59 CCn1cc(nn1)NCC(=O)O 0b4e4bf15c4fe145a210cf851d8eb797 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.59 CCn1cnc(c1)NCC(=O)C 0b4de69c4501d300c1e2ea8fb0c27244 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.59 CCn1cnc(c1)NCC(=O)N b9216a638dfb9a83b5566d6710957135 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.59 COc1nc(n[nH]1)NCC(=O)O 663e11b38c7a02960c6ace843c75c079 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.59 CSc1nc(n[nH]1)NCC(=O)O 18c6c80c06fe3a4c7ae40382b62bf208 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.59 N#Cc1nc(cs1)NCC(=O)O af91a3f7b615eeef7c6cd64d58519f8d [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.103 CN(CC(=O)N)c1c[nH]c(n1)N 77e2d1560d8fdc7181dfbc0a1fb2154e [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.110 CC(=O)CNc1cn(c(n1)N)C ad6eff3883f22810da2413171b04527d [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.110 Cc1nc(nn1C)NCC(=O)O 4f43880bb2b8ea3d0321d9fe6febc6aa [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.110 Cn1cc(nc1N)NCC(=O)N 6eecb686c9937222e4be78f9a85250f7 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.836 Cn1cnc(c1)NCS(=O)(=O)O 0bce08832f6002932c6007c1f7a63bba [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.861 CC(=O)CNc1nc([nH]c1C)C 9f1fe8ba186e886bf741b8ff45253e59 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.861 Cc1nc(c([nH]1)C)NCC(=O)N 7713d7abe1701b6b37f267b08723e734 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.861 NC(=O)CNc1nc([nH]c1Br)Br a5965712b3d5b50f7f83d2cb3328795e [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.861 O=C(O)CNc1nc([nH]c1Br)Br 30a80e39a7008a131eb9cda89dec3072 [0,2,0,0,0,0|1,0,0]=3 2359 B12R1.81 N#Cc1[nH]cnc1NCC(=O)N 8152287545250c71f5b955dfdb9767a5 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.81 N#Cc1[nH]cnc1NCC(=O)O c5ee5d3af41555d0db27944b00e8b9db [0,2,0,0,0,0|1,0,0]=3 2361 B12R2.136 O=C1CC(C1)Nc2cscn2 c24cf2cf3c022e9cbae789634fd7882b [0,0,0,1,0,1|2,0,0]=4 2362 B12R2.136 O=C1CC(C1)Nc2nc[nH]n2 c980d3a9af7d3fd35b316af307b07e58 [0,0,0,1,0,1|2,0,0]=4 2363 B12R2.136 O=C1CC(C1)Oc2c[nH]cn2 daeaa377876d1536f7f754556adb98de [0,0,0,1,0,1|1,0,0]=3 2364 B12R2.136 OC1CC(C1)Nc2c[nH]cn2 eaf1513a0498cfce0dd66885b904b16e [0,0,0,1,0,1|1,0,1]=4 2365 B12R2.136 O[C@H]1C[C@@H](C1)Nc2c[nH]cn2 c084b551e982ec5c32728712ca7f5fbb [0,0,0,1,0,1|1,0,1]=4 2366 B12R2.136 O[C@H]1C[C@H](C1)Nc2c[nH]cn2 e56c42d6f773848ada745b731d000fc0 [0,0,0,1,0,1|1,0,1]=4 2367 B12R2.12 O=C1CCC1Oc2c[nH]cn2 bc9d5aa1866a5702b60c18422f7e3f05 [0,1,0,1,0,0|2,0,0]=4 2368 B12R2.12 O=C1NC[C@@H]1Nc2c[nH]cn2 a11b764f12f5f3840dd9b331f531dfac [0,1,0,1,0,0|2,0,0]=4 2369 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [1,0,0,0,0,1|2,0,0]=4 2370 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [1,0,0,0,0,1|2,0,0]=4 2371 B10R1.17 O=CCNc1cccnn1 b77e216bcd16205b619775ccaec2a915 [1,0,0,0,0,1|2,0,0]=4 2372 B10R1.17 O=CCNc1ccncn1 ad050d76e28a8f149081a0a787160952 [1,0,0,0,0,1|1,0,1]=4 2373 B10R1.17 O=CCNc1cnccn1 1f2d05c8c2da92e2355104fcbbea848e [1,0,0,0,0,1|1,0,1]=4 2374 B10R1.17 O=CCNc1cncnc1 7936eded385f52228b568dc0cba11235 [1,0,0,0,0,1|1,0,1]=4 2375 B10R1.17 O=CCNc1cnncn1 27758409efdf45300aa42e56f2eea8f4 [1,0,0,0,0,1|1,0,1]=4 2376 B10R1.17 O=CCNc1ncccn1 6d36478dc88bf2e8e6c88235bd7271f3 [1,0,0,0,0,1|2,0,0]=4 2377 B10R1.17 O=CCNc1ncncn1 2db95b132c253bf363a25e16f2bb1699 [1,0,0,0,0,1|1,0,1]=4 2378 B10R1.17 O=CCOc1ccccn1 78f53edacda55ffdc5004f3168d63b47 [1,0,0,0,0,1|2,0,0]=4 2379 B10R1.17 O=CCOc1cccnc1 1d2e939a386c96cb8d89a6882c0c8d7c [1,0,0,0,0,1|2,0,0]=4 2380 B10R1.17 O=CCOc1cnccn1 ecda20f1b67333503933c739d5d7b88b [1,0,0,0,0,1|1,0,1]=4 2381 B10R1.17 O=CCOc1cncnc1 9d2898239ffbc64472b6faadf9b0b97c [1,0,0,0,0,1|1,0,1]=4 2382 B10R1.17 O=CCOc1cncnn1 cfc3d2cc9486bd7d94d2845b3f711050 [1,0,0,0,0,1|1,0,1]=4 2383 B10R1.17 O=CCOc1ncccn1 dd95d94e1e128d72aa4c775327aa56bd [1,0,0,0,0,1|2,0,0]=4 2384 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [1,0,0,0,0,1|2,0,0]=4 2385 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [1,0,0,0,0,1|2,0,0]=4 2386 B10R1.17 O=CNCc1cccnn1 c5e83bdac2e2f539bc82d2501f5689bd [1,0,0,0,0,1|2,0,0]=4 2387 B10R1.17 O=CNCc1ccncn1 9cc8575563436bdab6bb5758cdf1aa10 [1,0,0,0,0,1|1,0,1]=4 2388 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [1,0,0,0,0,1|1,0,1]=4 2389 B10R1.17 O=CNCc1cncnc1 3666ed94d9433e085fe377d1a30954f4 [1,0,0,0,0,1|1,0,1]=4 2390 B10R1.17 O=CNCc1ncccn1 7d1c42dda8acac697d69ce2b0a3b68b6 [1,0,0,0,0,1|2,0,0]=4 2391 B12R1.252 CC(=O)CCNc1ccccn1 997919901794ee27201838f3f268a693 [0,0,0,0,0,2|2,0,0]=4 2392 B12R1.252 CC(=O)CCNc1cccnc1 d55d133f13b833b5bf8507a979c71c53 [0,0,0,0,0,2|2,0,0]=4 2393 B12R1.252 CC(=O)CCNc1cccnn1 32d799f5ae0f043ddfd98d242d6e2b83 [0,0,0,0,0,2|2,0,0]=4 2394 B12R1.252 CC(=O)CCNc1ccncn1 0028a4c9e1e1e7e2cab45e31e5dcdf1c [0,0,0,0,0,2|1,0,1]=4 2395 B12R1.252 CC(=O)CCNc1cnccn1 8194d0ad6d30ebb45605078893d0b86f [0,0,0,0,0,2|1,0,1]=4 2396 B12R1.252 CC(=O)CCNc1cncnc1 7410d78cb0dba9b828d46217fb70a24b [0,0,0,0,0,2|1,0,1]=4 2397 B12R1.252 CC(=O)CCNc1cnncn1 cdac78ed222661f6e2ea67a8ddb9d91f [0,0,0,0,0,2|1,0,1]=4 2398 B12R1.252 CC(=O)CCNc1ncccn1 f9af544460838f47ce2dd0d8d6fb8e65 [0,0,0,0,0,2|2,0,0]=4 2399 B12R1.252 CC(=O)CCNc1ncncn1 2c92a1e4340e278f38f2e8cc12ec8a52 [0,0,0,0,0,2|1,0,1]=4 2400 B12R1.252 CC(=O)CCOc1ccccn1 f0d6b589e7af691479be38abbd6bcdf3 [0,0,0,0,0,2|2,0,0]=4 2401 B12R1.252 CC(=O)CCOc1cccnc1 67dae2709723517ab5af883d0837054b [0,0,0,0,0,2|2,0,0]=4 2402 B12R1.252 CC(=O)CCOc1cnccn1 470130b5fcbc6995e03cec6409a7e88f [0,0,0,0,0,2|1,0,1]=4 2403 B12R1.252 CC(=O)CCOc1cncnc1 099e9e708e8f8e782761fe111edeb6fe [0,0,0,0,0,2|1,0,1]=4 2404 B12R1.252 CC(=O)CCOc1ncccn1 cb317663dda387ed6c769a3c84b9ec4a [0,0,0,0,0,2|2,0,0]=4 2405 B12R1.252 CC(=O)CNCc1ccccn1 6857f6976c347e411d9abdd48f8982fb [0,0,0,0,0,2|2,0,0]=4 2406 B12R1.252 CC(=O)CNCc1cccnc1 39d89333d7252b4434a1fdfd17a4d718 [0,0,0,0,0,2|2,0,0]=4 2407 B12R1.252 CC(=O)CNCc1cccnn1 69a4573b28e6734fdd6ea189d6e37041 [0,0,0,0,0,2|2,0,0]=4 2408 B12R1.252 CC(=O)CNCc1ccncn1 9280fb5fc212f0e227894d5f435d42d3 [0,0,0,0,0,2|1,0,1]=4 2409 B12R1.252 CC(=O)CNCc1cncnc1 70d5a2ac2ac7c6f411b67827ce57726d [0,0,0,0,0,2|1,0,1]=4 2410 B12R1.252 CC(=O)CNCc1ncccn1 ebcbf993e63f54e2a531cc36cbf3d20b [0,0,0,0,0,2|2,0,0]=4 2411 B12R1.252 CC(=O)COCc1ccccn1 f8ed3ffb815bee7f1737eacfe042d64f [0,0,0,0,0,2|2,0,0]=4 2412 B12R1.252 CC(=O)COCc1cccnc1 36638c01e0a61511be9d007508b97b48 [0,0,0,0,0,2|2,0,0]=4 2413 B12R1.252 CC(=O)COCc1cccnn1 e5ce14b0f3485754a3b54e412cf985cc [0,0,0,0,0,2|2,0,0]=4 2414 B12R1.252 CC(=O)COCc1ccncn1 0d85e9f224c2952d6d7e3faef841c4cd [0,0,0,0,0,2|1,0,1]=4 2415 B12R1.252 CC(=O)COCc1cncnc1 a6210dfea47295d579916cba8a09c6f7 [0,0,0,0,0,2|1,0,1]=4 2416 B12R1.252 CC(=O)COCc1ncccn1 b330e3f5176d6d50393a8f323d76eb16 [0,0,0,0,0,2|2,0,0]=4 2417 B12R1.252 CC(=O)NCCc1ccccn1 3ad8e2876430ef8ccd3cbeba8ed6119f [0,0,0,0,0,2|2,0,0]=4 2418 B12R1.252 CC(=O)NCCc1cccnc1 3962e9654ba13e9ef1bdd3c037e7deff [0,0,0,0,0,2|2,0,0]=4 2419 B12R1.252 CC(=O)NCCc1ccncn1 fab966eb0085b8e36cdf3d0657da7143 [0,0,0,0,0,2|1,0,1]=4 2420 B12R1.252 CC(=O)NCCc1cnccn1 1cf21aa316ea8133ba87ed31740cb5a0 [0,0,0,0,0,2|1,0,1]=4 2421 B12R1.252 CC(=O)NCCc1ncccn1 6cea7b81fd8f7f4399691623e3b09425 [0,0,0,0,0,2|2,0,0]=4 2422 B12R1.252 NC(=O)CCNc1ccccn1 92e4f83573998c2485b8b03f9bb014d7 [0,0,0,0,0,2|2,0,0]=4 2423 B12R1.252 NC(=O)CCNc1cccnc1 fb2350cfee1403db1adf78cad93552fa [0,0,0,0,0,2|2,0,0]=4 2424 B12R1.252 NC(=O)CCNc1cccnn1 d008a96a4e399cbedd5db345e0d1bcd5 [0,0,0,0,0,2|2,0,0]=4 2425 B12R1.252 NC(=O)CCNc1ccncn1 3a2e374797d9e83c28802a60d5709f39 [0,0,0,0,0,2|1,0,1]=4 2426 B12R1.252 NC(=O)CCNc1cnccn1 e47d97aed02e5803cce7cafb96f13331 [0,0,0,0,0,2|1,0,1]=4 2427 B12R1.252 NC(=O)CCNc1cncnc1 e30246bd714bb243ffbc9375c0e86e69 [0,0,0,0,0,2|1,0,1]=4 2428 B12R1.252 NC(=O)CCNc1cnncn1 2d6ca446689a665bb1b8b7607ca3662b [0,0,0,0,0,2|1,0,1]=4 2429 B12R1.252 NC(=O)CCNc1ncccn1 16f242d5bf5c97a49fc7748326d7891f [0,0,0,0,0,2|2,0,0]=4 2430 B12R1.252 NC(=O)CCNc1ncncn1 0456fc225354d4fe37a989abc0f1ff6b [0,0,0,0,0,2|1,0,1]=4 2431 B12R1.252 NC(=O)CCOc1ccccn1 ef33f2f40c5695caaa5c50c5e9999f80 [0,0,0,0,0,2|2,0,0]=4 2432 B12R1.252 NC(=O)CCOc1cccnc1 363c960c3fefb5c5a22efaa39f0fda7e [0,0,0,0,0,2|2,0,0]=4 2433 B12R1.252 NC(=O)CCOc1cnccn1 7fc561f88498743af26611fc09360105 [0,0,0,0,0,2|1,0,1]=4 2434 B12R1.252 NC(=O)CCOc1cncnc1 0daa54b3a20a7836756a01ea4c3f1dd3 [0,0,0,0,0,2|1,0,1]=4 2435 B12R1.252 NC(=O)CCOc1cncnn1 ecc6039c421f8a5e635f56a0331a963e [0,0,0,0,0,2|1,0,1]=4 2436 B12R1.252 NC(=O)CCOc1ncccn1 6d446ee6f875ee071e15d57e364c22e3 [0,0,0,0,0,2|2,0,0]=4 2437 B12R1.252 NC(=O)CNCc1ccccn1 3c1dd420ad69284782fb8583eb56bf60 [0,0,0,0,0,2|2,0,0]=4 2438 B12R1.252 NC(=O)CNCc1cccnc1 8d19a20f0fc03f424e228f292b3559c8 [0,0,0,0,0,2|2,0,0]=4 2439 B12R1.252 NC(=O)CNCc1cccnn1 d257d9233518b40b1d6ae323409f6ea2 [0,0,0,0,0,2|2,0,0]=4 2440 B12R1.252 NC(=O)CNCc1ccncn1 7319ebecd0d03db2408816997bd2300b [0,0,0,0,0,2|1,0,1]=4 2441 B12R1.252 NC(=O)CNCc1cnccn1 1fab0c77fe78a8b9b518dc29e1efb526 [0,0,0,0,0,2|1,0,1]=4 2442 B12R1.252 NC(=O)CNCc1cncnc1 059453fcc59e50eab1a0726b93be0113 [0,0,0,0,0,2|1,0,1]=4 2443 B12R1.252 NC(=O)CNCc1ncccn1 86c76a41b060f367c59e6858a2ca0dd3 [0,0,0,0,0,2|2,0,0]=4 2444 B12R1.252 NC(=O)COCc1ccccn1 0d9c0bff99698d95c8b9e9a6d8922eb4 [0,0,0,0,0,2|2,0,0]=4 2445 B12R1.252 NC(=O)COCc1cccnc1 51b6ad658b269a92444e834b1f785c0e [0,0,0,0,0,2|2,0,0]=4 2446 B12R1.252 NC(=O)COCc1cccnn1 9893647b58ade82862b2c63fdb07b6b1 [0,0,0,0,0,2|2,0,0]=4 2447 B12R1.252 NC(=O)COCc1ccncn1 0c4aee264053f0dbf65d0fe5124fc492 [0,0,0,0,0,2|1,0,1]=4 2448 B12R1.252 NC(=O)COCc1cnccn1 d10373e515112c09e054302f7a5f9071 [0,0,0,0,0,2|1,0,1]=4 2449 B12R1.252 NC(=O)COCc1cncnc1 b7898397e4108bd6f8d3a4e347fcf5d9 [0,0,0,0,0,2|1,0,1]=4 2450 B12R1.252 NC(=O)COCc1ncccn1 d7f265149c28caac1a467eecd4af4873 [0,0,0,0,0,2|2,0,0]=4 2451 B12R1.252 O=C(O)CCNc1ccccc1 ed7f72bbe0b1599eda9c30db2d051414 [0,0,0,0,0,2|2,0,0]=4 2452 B12R1.252 O=C(O)CCNc1ccccn1 0537ea6c1dceaf8751238bf02ee3d095 [0,0,0,0,0,2|1,0,0]=3 2453 B12R1.252 O=C(O)CCNc1cccnc1 5ce9abae26295a33d354a7af3429e5db [0,0,0,0,0,2|1,0,0]=3 2454 B12R1.252 O=C(O)CCNc1cccnn1 9ba244b3b9d829c3744cf80436b27c6c [0,0,0,0,0,2|1,0,0]=3 2455 B12R1.252 O=C(O)CCNc1ccncc1 c76a2848f4b88ba3bf9880e1598d6cd8 [0,0,0,0,0,2|1,0,1]=4 2456 B12R1.252 O=C(O)CCNc1ccncn1 af59eefbc2de49d91413ec4600c8c80a [0,0,0,0,0,2|0,0,1]=3 2457 B12R1.252 O=C(O)CCNc1ccnnc1 f1d7bd4afd486248a130b4a1cb2e09fa [0,0,0,0,0,2|1,0,1]=4 2458 B12R1.252 O=C(O)CCNc1cnccn1 981a598eb10a9642318f0c29dfce0627 [0,0,0,0,0,2|0,0,1]=3 2459 B12R1.252 O=C(O)CCNc1cncnc1 48c033ae195c8f775922ebf6b88b8534 [0,0,0,0,0,2|0,0,1]=3 2460 B12R1.252 O=C(O)CCNc1cnncn1 62307a5065b678f1356e82473429728b [0,0,0,0,0,2|0,0,1]=3 2461 B12R1.252 O=C(O)CCNc1ncccn1 716730d45ee6d7fb77471bdac12273b8 [0,0,0,0,0,2|1,0,0]=3 2462 B12R1.252 O=C(O)CCNc1nccnn1 dcb3d64190a5948e6abba4f6976de93b [0,0,0,0,0,2|1,0,1]=4 2463 B12R1.252 O=C(O)CCNc1ncncn1 e4020ff7c0e5eadc672f94cd43dc2a86 [0,0,0,0,0,2|0,0,1]=3 2464 B12R1.252 O=C(O)CCOc1cccnc1 a9700a007db2ce9b0e7a0a82d7a2830b [0,0,0,0,0,2|1,0,0]=3 2465 B12R1.252 O=C(O)CCOc1ccnnc1 8b9832e0f2a39f64ffe81605b3b3483a [0,0,0,0,0,2|1,0,1]=4 2466 B12R1.252 O=C(O)CCOc1cnccn1 85397fb8c7bf85f540d50cbb22cb6f06 [0,0,0,0,0,2|0,0,1]=3 2467 B12R1.252 O=C(O)CNCc1ccccc1 db9e4b752c6e68fd22fb535c2b9167d2 [0,0,0,0,0,2|2,0,0]=4 2468 B12R1.252 O=C(O)CNCc1ccccn1 3c84db281076170db068c06ad4fa1558 [0,0,0,0,0,2|1,0,0]=3 2469 B12R1.252 O=C(O)CNCc1cccnc1 0f23cde99dad163ff1a43f270a6b97df [0,0,0,0,0,2|1,0,0]=3 2470 B12R1.252 O=C(O)CNCc1cccnn1 acd9ab6e7ee8b37279e42ed35198bb88 [0,0,0,0,0,2|1,0,0]=3 2471 B12R1.252 O=C(O)CNCc1ccncc1 572927dbbf5d53ea5ca9341b6194c6ae [0,0,0,0,0,2|1,0,1]=4 2472 B12R1.252 O=C(O)CNCc1ccncn1 b2df96f604cc7b1d4aa440c5c8f2448d [0,0,0,0,0,2|0,0,1]=3 2473 B12R1.252 O=C(O)CNCc1ccnnc1 8cf3c448bc1bb214afe9fea04c62b1c9 [0,0,0,0,0,2|1,0,1]=4 2474 B12R1.252 O=C(O)CNCc1cnccn1 d10366540a0a03a79e7118295988c03f [0,0,0,0,0,2|0,0,1]=3 2475 B12R1.252 O=C(O)CNCc1cncnc1 55cdcd213db4c0b6ed270bf84a5d0e12 [0,0,0,0,0,2|0,0,1]=3 2476 B12R1.252 O=C(O)CNCc1ncccn1 a1bf39e3120040780e27cae797878cf5 [0,0,0,0,0,2|1,0,0]=3 2477 B12R1.252 O=C(O)COCc1ccccc1 a919d4e5b6621fc6b657c329a5a5b2a3 [0,0,0,0,0,2|2,0,0]=4 2478 B12R1.252 O=C(O)COCc1ccccn1 23d47dd96051fd1e4e6f2b6ade2c5861 [0,0,0,0,0,2|1,0,0]=3 2479 B12R1.252 O=C(O)COCc1cccnc1 f0ccee5ed9ee69c492f291b8d433ec22 [0,0,0,0,0,2|1,0,0]=3 2480 B12R1.252 O=C(O)COCc1cccnn1 1d7cd1dc4f1a94df1c3289cffeb37f42 [0,0,0,0,0,2|1,0,0]=3 2481 B12R1.252 O=C(O)COCc1ccncc1 5c10a3aeb68608515bbdc7a10de9fb73 [0,0,0,0,0,2|1,0,1]=4 2482 B12R1.252 O=C(O)COCc1ccncn1 f2095ad1d839fba330ffd44a9e54039d [0,0,0,0,0,2|0,0,1]=3 2483 B12R1.252 O=C(O)COCc1ccnnc1 3e62a9b1d301613721d88356a433da6e [0,0,0,0,0,2|1,0,1]=4 2484 B12R1.252 O=C(O)COCc1cnccn1 a86c3852368f7621a0f962fe521e9d03 [0,0,0,0,0,2|0,0,1]=3 2485 B12R1.252 O=C(O)COCc1cncnc1 5d947e722d5ad1958dfe87fdf6d38f91 [0,0,0,0,0,2|0,0,1]=3 2486 B12R1.252 O=C(O)COCc1ncccn1 279c489594880f670133afd04a5febb9 [0,0,0,0,0,2|1,0,0]=3 2487 B12R1.252 O=S(O)CCNc1ccccn1 52912e49a54a8727cdb7fa7cdbaa0329 [0,0,0,0,0,2|2,0,0]=4 2488 B12R1.252 O=S(O)CCNc1cccnc1 8f3cc3d54c366194ea7c1d90eedb2769 [0,0,0,0,0,2|2,0,0]=4 2489 B12R1.252 O=S(O)CCNc1cccnn1 e9a84d860ee8b2d6b56d3b22236bbe67 [0,0,0,0,0,2|2,0,0]=4 2490 B12R1.252 O=S(O)CCNc1ccncn1 4a56313f368d123287fb246afaff462f [0,0,0,0,0,2|1,0,1]=4 2491 B12R1.252 O=S(O)CCNc1cnccn1 64e48a02de3f3ae6044153eb94170048 [0,0,0,0,0,2|1,0,1]=4 2492 B12R1.252 O=S(O)COCc1ccccn1 82f7ef930a26c74110028b3fbc96ff09 [0,0,0,0,0,2|2,0,0]=4 2493 B12R1.252 O=S(O)COCc1cccnc1 83e3ec94332cb681c92d904cbf5092fb [0,0,0,0,0,2|2,0,0]=4 2494 B12R1.252 O=S(O)COCc1cccnn1 4e0ea4d7c845381cdffd1647e0b4ff62 [0,0,0,0,0,2|2,0,0]=4 2495 B12R1.252 O=S(O)COCc1ccncn1 4341b9611b0e5e9dc3adc2babdce1932 [0,0,0,0,0,2|1,0,1]=4 2496 B12R1.252 O=S(O)COCc1cncnc1 c95179541f706700db331a4729474178 [0,0,0,0,0,2|1,0,1]=4 2497 B12R1.252 O=S(O)COCc1ncccn1 24f8b0dc27b0144855040068495762da [0,0,0,0,0,2|2,0,0]=4 2498 B12R1.255 C=C(Br)CNCCc1c[nH]cn1 336892bb238ea31a85bd1849e855c9e9 [0,0,0,0,0,2|2,0,0]=4 2499 B12R1.255 C=C(Br)COCCc1c[nH]cn1 c41dd2f817aadc22d7582625c4459136 [0,0,0,0,0,2|2,0,0]=4 2500 B12R1.255 C=C(C)CCCOc1c[nH]cn1 39d771f31f47dda4b4a9bcd8ece5dace [0,0,0,0,0,2|2,0,0]=4 2501 B12R1.255 C=C(C)CNCCc1c[nH]cn1 64f9cd29106016499590b566dd205806 [0,0,0,0,0,2|2,0,0]=4 2502 B12R1.255 C=C(C)COCCc1c[nH]cn1 6ced897aa37f94fe99a44d4fd01b263d [0,0,0,0,0,2|2,0,0]=4 2503 B12R1.255 C=C(Cl)CNCCc1c[nH]cn1 11311d20d1df8733a1862b6c6752fe73 [0,0,0,0,0,2|2,0,0]=4 2504 B12R1.255 C=C(Cl)COCCc1c[nH]cn1 53746bfdf87c9c26b47c458db09785b7 [0,0,0,0,0,2|2,0,0]=4 2505 B12R1.255 C=C(F)CNCCc1c[nH]cn1 1bb5dce62207be49bfed2d4c96e8f156 [0,0,0,0,0,2|2,0,0]=4 2506 B12R1.255 C=C(F)COCCc1c[nH]cn1 205667330ee40b8374a1af139e88baec [0,0,0,0,0,2|2,0,0]=4 2507 B12R1.255 C=C(I)COCCc1c[nH]cn1 88b7b48a184a97440b02227f603532d4 [0,0,0,0,0,2|2,0,0]=4 2508 B12R1.255 CC(=CCCOc1c[nH]cn1)C 10effd7998d8ac3ca3ee40791e603207 [0,0,0,0,0,2|2,0,0]=4 2509 B12R1.255 CC(=O)CCCNc1cocn1 f7bedc09f7cc16115fae2e9a1143a09f [0,0,0,0,0,2|2,0,0]=4 2510 B12R1.255 CC(=O)CCCNc1cscn1 9814682e27c13dfbbe2ffd9908e547b6 [0,0,0,0,0,2|2,0,0]=4 2511 B12R1.255 CC(=O)CCCNc1nc[nH]n1 e5ad3297d9b5f4adf043e9b125f018bc [0,0,0,0,0,2|2,0,0]=4 2512 B12R1.255 CC(=O)CCCOc1c[nH]cn1 3969219ba7965394a0aa099f9e542684 [0,0,0,0,0,2|1,0,0]=3 2513 B12R1.255 CC(=O)CCNCc1c[nH]nn1 25fbb90d20415b45b5f19644f88e407a [0,0,0,0,0,2|2,0,0]=4 2514 B12R1.255 CC(=O)CCNCc1cc[nH]c1 9249388620b1b6d0dbefbb358be60826 [0,0,0,0,0,2|2,0,0]=4 2515 B12R1.255 CC(=O)CCNCc1cocn1 c56ed8ec00812f09c6d3852f16aeb827 [0,0,0,0,0,2|2,0,0]=4 2516 B12R1.255 CC(=O)CCNCc1cscn1 60010674615b526ce217d39cdb632049 [0,0,0,0,0,2|2,0,0]=4 2517 B12R1.255 CC(=O)CCOCc1cc[nH]c1 f04073e125d614033bab1399c36f9df6 [0,0,0,0,0,2|2,0,0]=4 2518 B12R1.255 CC(=O)CCOCc1cocn1 1622482a6e31cab11085fbbab0455e7a [0,0,0,0,0,2|2,0,0]=4 2519 B12R1.255 CC(=O)CCOCc1cscn1 8edd21b293c2d0cb4750360b85f594e0 [0,0,0,0,0,2|2,0,0]=4 2520 B12R1.255 CC(=O)CCOCc1nc[nH]n1 e20aa029ab4d3fdafc6a796e05b06e93 [0,0,0,0,0,2|2,0,0]=4 2521 B12R1.255 CC(=O)CNCCc1c[nH]cn1 9acb2afbd3f37ca8adfc0440d8578f3a [0,0,0,0,0,2|1,0,0]=3 2522 B12R1.255 CC(=O)CNCCc1cscn1 5a6063bd6f23dfccaead29520e75df70 [0,0,0,0,0,2|2,0,0]=4 2523 B12R1.255 CC(=O)COCCc1c[nH]cn1 0a56221cbbdf6c49090c154287c279c1 [0,0,0,0,0,2|1,0,0]=3 2524 B12R1.255 CC(=O)COCCc1cscn1 b9a3e9df1321a07945d98942e39898b6 [0,0,0,0,0,2|2,0,0]=4 2525 B12R1.255 CC(=O)NCCNc1c[nH]cn1 ce7e5558e7e93c5df3c7860c82410d69 [0,0,0,0,0,2|1,0,0]=3 2526 B12R1.255 CC(=O)NCCNc1c[nH]nn1 84ca8c806821c5e25a4d60dd811de1ca [0,0,0,0,0,2|2,0,0]=4 2527 B12R1.255 CC(=O)NCCNc1cocn1 47b17e53f7959caf414ffb51c3cd5ada [0,0,0,0,0,2|2,0,0]=4 2528 B12R1.255 CC(=O)NCCNc1cscn1 72a816d99c849d07ea599ad519a5c3ee [0,0,0,0,0,2|2,0,0]=4 2529 B12R1.255 CC(=O)NCCNc1nc[nH]n1 44b10294e612f566cc08e4253310bccf [0,0,0,0,0,2|2,0,0]=4 2530 B12R1.255 CC(=O)NCCOc1c[nH]cn1 a71d2585ad15b81c2de6938f9fb6939c [0,0,0,0,0,2|1,0,0]=3 2531 B12R1.255 CC(=O)NCOCc1cocn1 1cbe4a493dca987102731d216dc1d2c3 [0,0,0,0,0,2|2,0,0]=4 2532 B12R1.255 CC(=O)NCOCc1cscn1 e6b05eb03f6204bc35728f6046b7ec4a [0,0,0,0,0,2|2,0,0]=4 2533 B12R1.255 CC(=O)NCOCc1nc[nH]n1 8805ea1c27d6683b27135c2466c4cde4 [0,0,0,0,0,2|2,0,0]=4 2534 B12R1.255 CC(=O)OCCNc1cocn1 56167c08550762f9111a628d85d1f4f0 [0,0,0,0,0,2|2,0,0]=4 2535 B12R1.255 CC(=O)OCCNc1cscn1 5c84614e5f6fd3adaf948216ffa1d023 [0,0,0,0,0,2|2,0,0]=4 2536 B12R1.255 CC(=O)OCCNc1nc[nH]n1 01f537d8e5d1fb70ee684885ac9970f0 [0,0,0,0,0,2|2,0,0]=4 2537 B12R1.255 CC(=O)OCCOc1c[nH]cn1 9e115b46cd03b5729128a042e6bc6ae0 [0,0,0,0,0,2|1,0,0]=3 2538 B12R1.255 CC(=O)OCNCc1c[nH]nn1 5dc39dbe0f9278a06bfc7e1cf0dc96a0 [0,0,0,0,0,2|2,0,0]=4 2539 B12R1.255 CC(=O)OCNCc1cc[nH]c1 34e284411fc08e9074d68daa9f5d3f96 [0,0,0,0,0,2|2,0,0]=4 2540 B12R1.255 CC(=O)OCNCc1cocn1 0b4528784c39c3dec6e678495f1473ae [0,0,0,0,0,2|2,0,0]=4 2541 B12R1.255 CC(=O)OCNCc1cscn1 a1c58c2a712cf80e6fef29c11907648e [0,0,0,0,0,2|2,0,0]=4 2542 B12R1.255 CC(=O)OCOCc1cc[nH]c1 c183f67f1242d41df342370852a07247 [0,0,0,0,0,2|2,0,0]=4 2543 B12R1.255 CC(=O)OCOCc1cocn1 bf4a8a5cefa079cbb9612f05acc02838 [0,0,0,0,0,2|2,0,0]=4 2544 B12R1.255 CC(=O)OCOCc1cscn1 65d8ae8d374311b5d5241083e0e3cc46 [0,0,0,0,0,2|2,0,0]=4 2545 B12R1.255 CC(=O)OCOCc1nc[nH]n1 edc01d4e75e1ed77ffb1b4c888caacf7 [0,0,0,0,0,2|2,0,0]=4 2546 B12R1.255 CC(=O)SCCNc1cocn1 f8dbda12c0cfe746c1ea685f2b21d7d8 [0,0,0,0,0,2|2,0,0]=4 2547 B12R1.255 CC(=O)SCCNc1cscn1 f595ebe899d29e984262dfb8ac1eb03f [0,0,0,0,0,2|2,0,0]=4 2548 B12R1.255 CC(=O)SCCNc1nc[nH]n1 f468e4c081be0b5404f98c1b4735d2d9 [0,0,0,0,0,2|2,0,0]=4 2549 B12R1.255 CC(=O)SCCOc1c[nH]cn1 8bcd60922d60eb71808063db9772ec2f [0,0,0,0,0,2|1,0,0]=3 2550 B12R1.255 CC(O)CNCCc1c[nH]cn1 07a7b1f4fe50e5103b1dfe2d653edae6 [0,0,0,0,0,2|1,0,1]=4 2551 B12R1.255 CS(=O)CCCNc1c[nH]cn1 de2f7a1b248c9d731e69d5921a1053b7 [0,0,0,0,0,2|2,0,0]=4 2552 B12R1.255 C[C@@H](O)CNCCc1c[nH]cn1 4a77e264b40a3987c1bd1da815d4f99c [0,0,0,0,0,2|1,0,1]=4 2553 B12R1.255 C[C@H](O)CNCCc1c[nH]cn1 e82d7e86db7b0dbaab0ea0236fdcd8e9 [0,0,0,0,0,2|1,0,1]=4 2554 B12R1.255 FC(=CCCOc1c[nH]cn1)F 5b999d591ee2843f04c37475380fa730 [0,0,0,0,0,2|2,0,0]=4 2555 B12R1.255 NC(=O)C#CCNc1c[nH]cn1 d3ca165054378d50f117b0c2b520bd04 [0,0,0,0,0,2|1,0,1]=4 2556 B12R1.255 NC(=O)CCCNc1c[nH]cn1 4a472fd14be6386cff07433c7c1c98f1 [0,0,0,0,0,2|1,0,0]=3 2557 B12R1.255 NC(=O)CCCNc1c[nH]nn1 aa85094dcd9357324cd8af1e6798ad1d [0,0,0,0,0,2|2,0,0]=4 2558 B12R1.255 NC(=O)CCCNc1cocn1 5c3456debf793c4a5dc4bee2056c1bdd [0,0,0,0,0,2|2,0,0]=4 2559 B12R1.255 NC(=O)CCCNc1cscn1 ed79bc408420354880584dbb702e0a1e [0,0,0,0,0,2|2,0,0]=4 2560 B12R1.255 NC(=O)CCCNc1nc[nH]n1 5f2834d75f75b756781270ba4768b93b [0,0,0,0,0,2|2,0,0]=4 2561 B12R1.255 NC(=O)CCCOc1c[nH]cn1 1f50b9eec1ce3a0449a6522fb485f4f7 [0,0,0,0,0,2|1,0,0]=3 2562 B12R1.255 NC(=O)CCNCc1c[nH]nn1 6460a93fb0fbbc8aaebc039b2ff15d3c [0,0,0,0,0,2|2,0,0]=4 2563 B12R1.255 NC(=O)CCNCc1cc[nH]c1 f314aa37865c714318ee8f41bff08e2f [0,0,0,0,0,2|2,0,0]=4 2564 B12R1.255 NC(=O)CCNCc1cocn1 b9f34efcb3f35f434039dbfcb1fc1c73 [0,0,0,0,0,2|2,0,0]=4 2565 B12R1.255 NC(=O)CCNCc1cscn1 3a546c90b4c537b0446c8a99a9640bbf [0,0,0,0,0,2|2,0,0]=4 2566 B12R1.255 NC(=O)CCOCc1cc[nH]c1 0669fa9d3da5b3059f2e30d388082841 [0,0,0,0,0,2|2,0,0]=4 2567 B12R1.255 NC(=O)CCOCc1cocn1 0a640cae0a6a7a163972976005c8825e [0,0,0,0,0,2|2,0,0]=4 2568 B12R1.255 NC(=O)CCOCc1cscn1 a27bc4a876af471103c0849e6f57bd7c [0,0,0,0,0,2|2,0,0]=4 2569 B12R1.255 NC(=O)CCOCc1nc[nH]n1 f7f89bd83a14bdc44a93357d2648124f [0,0,0,0,0,2|2,0,0]=4 2570 B12R1.255 NC(=O)CNCCc1c[nH]cn1 bbef68be7389871cd84fe72f0d6b9967 [0,0,0,0,0,2|1,0,0]=3 2571 B12R1.255 NC(=O)CNCCc1cscn1 55dc18648db2a8c1838d0cf695d7f288 [0,0,0,0,0,2|2,0,0]=4 2572 B12R1.255 NC(=O)COCCc1c[nH]cn1 a44dcf89de62e927be51d5b61c705c6d [0,0,0,0,0,2|1,0,0]=3 2573 B12R1.255 NC(=O)COCCc1cscn1 fe353d031cb9d1fbea88359ee06dbd11 [0,0,0,0,0,2|2,0,0]=4 2574 B12R1.255 NC(=O)NCCNc1cocn1 4cb0a965893dd559ed9a069e67cca2a8 [0,0,0,0,0,2|2,0,0]=4 2575 B12R1.255 NC(=O)NCCNc1cscn1 93ec6f1bb596784f1f42e1cd8aa3a30b [0,0,0,0,0,2|2,0,0]=4 2576 B12R1.255 NC(=O)NCCNc1nc[nH]n1 f7dfd23e1641b744f4817f02681af8c8 [0,0,0,0,0,2|2,0,0]=4 2577 B12R1.255 NC(=O)NCCOc1c[nH]cn1 f488fc94ec6ec0bdad7e82ec1d795219 [0,0,0,0,0,2|1,0,0]=3 2578 B12R1.255 NC(=O)NCOCc1cocn1 773ec79487fea0e1be46bda7637fd7d9 [0,0,0,0,0,2|2,0,0]=4 2579 B12R1.255 NC(=O)NCOCc1cscn1 62683eb05a571e882ef58d8976ae1c55 [0,0,0,0,0,2|2,0,0]=4 2580 B12R1.255 NC(=O)NCOCc1nc[nH]n1 ef8a45a9a8aee0063766b200d6443ddf [0,0,0,0,0,2|2,0,0]=4 2581 B12R1.255 NC(=O)SCNCc1c[nH]nn1 ae7248c417da5c88e1f948975def0387 [0,0,0,0,0,2|2,0,0]=4 2582 B12R1.255 NC(=O)SCNCc1cc[nH]c1 9fb39662be4d0e05f420818baca3c0d6 [0,0,0,0,0,2|2,0,0]=4 2583 B12R1.255 NC(=O)SCNCc1cscn1 41962cea17abdd3b1357982fbc43cb8c [0,0,0,0,0,2|2,0,0]=4 2584 B12R1.255 NC(=O)SCOCc1cc[nH]c1 3fd1e13b29217df376b4628857aafad4 [0,0,0,0,0,2|2,0,0]=4 2585 B12R1.255 NC(=O)SCOCc1cocn1 499b58b027888e38ea985429a87f7436 [0,0,0,0,0,2|2,0,0]=4 2586 B12R1.255 NC(=O)SCOCc1cscn1 0d8c2147b63edf5901ae2fd121cde35c [0,0,0,0,0,2|2,0,0]=4 2587 B12R1.255 NC(=O)SCOCc1nc[nH]n1 b5d972975524cf6603d934cff91b3f7c [0,0,0,0,0,2|2,0,0]=4 2588 B12R1.255 NC(=S)COCCc1c[nH]cn1 e117c352c8db5af5b3ea43589e081976 [0,0,0,0,0,2|1,1,0]=4 2589 B12R1.255 NC(=S)NCCNc1c[nH]cn1 d447069ef99c5f595a683d2c805b4260 [0,0,0,0,0,2|1,1,0]=4 2590 B12R1.255 O=C(O)/C=C/CNc1c[nH]cn1 cae0e5bd20c6a5398f9f773cafc73dec [0,0,0,0,0,2|0,0,1]=3 2591 B12R1.255 O=C(O)/C=C/CNc1c[nH]nn1 342498e6cb45093f36f832369f318ad2 [0,0,0,0,0,2|1,0,1]=4 2592 B12R1.255 O=C(O)/C=C/CNc1cocn1 61aa3ad1bec03726895f6ee41256a4a7 [0,0,0,0,0,2|1,0,1]=4 2593 B12R1.255 O=C(O)/C=C/CNc1cscn1 763e70cd2e41ff50f23f180022e44531 [0,0,0,0,0,2|1,0,1]=4 2594 B12R1.255 O=C(O)/C=C/CNc1nc[nH]n1 ce8f919ff1cc14c116db9b046d356558 [0,0,0,0,0,2|1,0,1]=4 2595 B12R1.255 O=C(O)/C=C/COc1c[nH]cn1 9c54462e648919de1180f9c915e21b8a [0,0,0,0,0,2|0,0,1]=3 2596 B12R1.255 O=C(O)C#CCNc1c[nH]cn1 9389e48688c43f529309109cad6ed874 [0,0,0,0,0,2|0,0,1]=3 2597 B12R1.255 O=C(O)C#CCNc1cocn1 ef0a682a16af6de5710da190251d7889 [0,0,0,0,0,2|1,0,1]=4 2598 B12R1.255 O=C(O)C=CCNc1c[nH]cn1 c2a22fa2b05306e5501d9ee2d5786bb8 [0,0,0,0,0,2|0,0,1]=3 2599 B12R1.255 O=C(O)C=CCNc1c[nH]nn1 92431e566f9334a298eed1838170d120 [0,0,0,0,0,2|1,0,1]=4 2600 B12R1.255 O=C(O)C=CCNc1cocn1 a4c6e0b7dedb41d361343ecbacb1371c [0,0,0,0,0,2|1,0,1]=4 2601 B12R1.255 O=C(O)C=CCNc1cscn1 72ba683850b531b7b509fa0ac9f313f9 [0,0,0,0,0,2|1,0,1]=4 2602 B12R1.255 O=C(O)C=CCNc1nc[nH]n1 bfd2462caac54e9c94fb001172711c6c [0,0,0,0,0,2|1,0,1]=4 2603 B12R1.255 O=C(O)C=CCOc1c[nH]cn1 02cecdbd0208bb78c03c903b98b5f916 [0,0,0,0,0,2|0,0,1]=3 2604 B12R1.255 O=C(O)CCCNc1c[nH]cn1 9c9b197eddc3e0dab53be4e1c16ae906 [0,0,0,0,0,2|0,0,0]=2 2605 B12R1.255 O=C(O)CCCNc1c[nH]nn1 0e0ca52f039d89a1b898fccc154b9f10 [0,0,0,0,0,2|1,0,0]=3 2606 B12R1.255 O=C(O)CCCNc1cc[nH]n1 1bf29171916a03023e573e61a6ea3d35 [0,0,0,0,0,2|2,0,0]=4 2607 B12R1.255 O=C(O)CCCNc1ccco1 995ff1a97334958a77d2ee3a19db3675 [0,0,0,0,0,2|2,0,0]=4 2608 B12R1.255 O=C(O)CCCNc1cccs1 0e9974ef758324c833804cf4b51923bd [0,0,0,0,0,2|2,0,0]=4 2609 B12R1.255 O=C(O)CCCNc1ccoc1 1478978854b67201f4e8fd406b6bf7f2 [0,0,0,0,0,2|2,0,0]=4 2610 B12R1.255 O=C(O)CCCNc1ccon1 280a972051d8894f214f4c0041177ad4 [0,0,0,0,0,2|2,0,0]=4 2611 B12R1.255 O=C(O)CCCNc1ccsc1 96b0ff5eeb8b368957831c59d9be3fad [0,0,0,0,0,2|2,0,0]=4 2612 B12R1.255 O=C(O)CCCNc1cn[nH]c1 eaaa23cd0d6ca9b119673650f38897c9 [0,0,0,0,0,2|2,0,0]=4 2613 B12R1.255 O=C(O)CCCNc1cnon1 01a50c99f7fac497bf1ff38bb04d7596 [0,0,0,0,0,2|1,0,1]=4 2614 B12R1.255 O=C(O)CCCNc1cnsn1 b05365361c3487303e3268676e201026 [0,0,0,0,0,2|1,0,1]=4 2615 B12R1.255 O=C(O)CCCNc1cscn1 216c3d5e9d9b47a28b8918537b5f821c [0,0,0,0,0,2|1,0,0]=3 2616 B12R1.255 O=C(O)CCCNc1ncc[nH]1 5d0c0646369086d3c5b89286f3f9fc10 [0,0,0,0,0,2|2,0,0]=4 2617 B12R1.255 O=C(O)CCCNc1nccs1 e19084b004cdb4b95ffb4f87ef26144d [0,0,0,0,0,2|2,0,0]=4 2618 B12R1.255 O=C(O)CCCNc1ncns1 f06f3e60ff4bfc366461f059f88cc994 [0,0,0,0,0,2|1,0,1]=4 2619 B12R1.255 O=C(O)CCCNc1nn[nH]n1 dbf0b27b8c6320ea17c6ddbce49f5629 [0,0,0,0,0,2|2,0,0]=4 2620 B12R1.255 O=C(O)CCCOc1c[nH]cn1 f4975d63cd45522ecc03499557313751 [0,0,0,0,0,2|0,0,0]=2 2621 B12R1.255 O=C(O)CCCOn1cccn1 8eab32afa2dca76fb382fcd210ffeb2b [0,0,0,0,0,2|2,0,0]=4 2622 B12R1.255 O=C(O)CCNCc1c[nH]nn1 c655f7ae3f4d08ceccf082ac68712bc6 [0,0,0,0,0,2|1,0,0]=3 2623 B12R1.255 O=C(O)CCNCc1cc[nH]c1 0c3b44ff48bee6034eb8e6f307c7a008 [0,0,0,0,0,2|1,0,0]=3 2624 B12R1.255 O=C(O)CCNCc1ccc[nH]1 e0a8db41e843b5bc222c6dc36c350c79 [0,0,0,0,0,2|1,0,1]=4 2625 B12R1.255 O=C(O)CCNCc1ccco1 89dcc1ed80fd55a3e3c97ab7f636d98b [0,0,0,0,0,2|2,0,0]=4 2626 B12R1.255 O=C(O)CCNCc1cccs1 5fc1b31ed0a3fc8a24d9c8cfda0ec29d [0,0,0,0,0,2|2,0,0]=4 2627 B12R1.255 O=C(O)CCNCc1ccoc1 5a78388aa4566728e53326223fc80acc [0,0,0,0,0,2|2,0,0]=4 2628 B12R1.255 O=C(O)CCNCc1ccon1 0ee75c372c8d838a8855e11968c69786 [0,0,0,0,0,2|2,0,0]=4 2629 B12R1.255 O=C(O)CCNCc1ccsc1 36abf10496e66d0a85ce029041484f2d [0,0,0,0,0,2|2,0,0]=4 2630 B12R1.255 O=C(O)CCNCc1ccsn1 b8e2468e95e42e1479213023b0a8211c [0,0,0,0,0,2|2,0,0]=4 2631 B12R1.255 O=C(O)CCNCc1cn[nH]c1 4aae4568a307b096cd06b36b06a85e73 [0,0,0,0,0,2|2,0,0]=4 2632 B12R1.255 O=C(O)CCNCc1cnc[nH]1 65cb8db6de814e8ea6ab9148ce77ac72 [0,0,0,0,0,2|0,0,2]=4 2633 B12R1.255 O=C(O)CCNCc1cnco1 02ae4bc93a98dd8ad55babac73624a4a [0,0,0,0,0,2|1,0,1]=4 2634 B12R1.255 O=C(O)CCNCc1cncs1 44d9afac1f26cb030e50d050f59f1307 [0,0,0,0,0,2|1,0,1]=4 2635 B12R1.255 O=C(O)CCNCc1cocn1 a003c5cccc75cbf6b3abdd21163b70a8 [0,0,0,0,0,2|1,0,0]=3 2636 B12R1.255 O=C(O)CCNCc1cscn1 bf1c54d49e7184768c34f3c9a93715d0 [0,0,0,0,0,2|1,0,0]=3 2637 B12R1.255 O=C(O)CCNCc1nc[nH]n1 bb4f4978e1c300674d8e271536e1585e [0,0,0,0,0,2|1,0,0]=3 2638 B12R1.255 O=C(O)CCNCc1ncc[nH]1 8a88ae7e718a2733765ae8a9dd44384d [0,0,0,0,0,2|2,0,0]=4 2639 B12R1.255 O=C(O)CCNCc1ncco1 0d9e209c0d52ac5285739bd819aa353e [0,0,0,0,0,2|2,0,0]=4 2640 B12R1.255 O=C(O)CCNCc1nccs1 c9253b29e3884fa6e1543309c3366a59 [0,0,0,0,0,2|2,0,0]=4 2641 B12R1.255 O=C(O)CCNCc1ncon1 7d064e8b2bc9e78da8242962f84f3b31 [0,0,0,0,0,2|2,0,0]=4 2642 B12R1.255 O=C(O)CCNCn1cncn1 c56b249dde538bfb86ee6f849a837fb8 [0,0,0,0,0,2|1,0,1]=4 2643 B12R1.255 O=C(O)CCOCc1cc[nH]c1 3fd79aa3347a9b7d1426287d8e95613f [0,0,0,0,0,2|1,0,0]=3 2644 B12R1.255 O=C(O)CCOCc1ccc[nH]1 becf30b1be8d12dbc272a6ce3619dbc8 [0,0,0,0,0,2|1,0,1]=4 2645 B12R1.255 O=C(O)CCOCc1ccco1 7243f80b0fccc8a9962867c7b8d09265 [0,0,0,0,0,2|2,0,0]=4 2646 B12R1.255 O=C(O)CCOCc1cccs1 25b0fe034d6513a12e96e7c8c2786577 [0,0,0,0,0,2|2,0,0]=4 2647 B12R1.255 O=C(O)CCOCc1ccon1 6fa9fa8108f3ebb9f32e180bb44be508 [0,0,0,0,0,2|2,0,0]=4 2648 B12R1.255 O=C(O)CCOCc1ccsc1 b628168eb4bc97e97bf408cc6b1cbd5f [0,0,0,0,0,2|2,0,0]=4 2649 B12R1.255 O=C(O)CCOCc1ccsn1 706d6b7256ec29b225b32f12f4ca7b9f [0,0,0,0,0,2|2,0,0]=4 2650 B12R1.255 O=C(O)CCOCc1cn[nH]c1 838df0f196c61cfb879ded49ff7c268f [0,0,0,0,0,2|2,0,0]=4 2651 B12R1.255 O=C(O)CCOCc1cnc[nH]1 7b1460c8ba7a5cc8e4ea0310e7ab249e [0,0,0,0,0,2|0,0,2]=4 2652 B12R1.255 O=C(O)CCOCc1cnsn1 4b4e7270cd537548827dcdfb688b641a [0,0,0,0,0,2|1,0,1]=4 2653 B12R1.255 O=C(O)CCOCc1cocn1 132f412ec36aa624d064838036c4fd17 [0,0,0,0,0,2|1,0,0]=3 2654 B12R1.255 O=C(O)CCOCc1cscn1 a89390452d29839c6c9b07f7202e1e2d [0,0,0,0,0,2|1,0,0]=3 2655 B12R1.255 O=C(O)CCOCc1nc[nH]n1 9844715533fa531f77fb80966756d76f [0,0,0,0,0,2|1,0,0]=3 2656 B12R1.255 O=C(O)CCOCc1ncc[nH]1 b3c5217315d403e61ffdf577c004efd7 [0,0,0,0,0,2|2,0,0]=4 2657 B12R1.255 O=C(O)CCOCc1ncco1 dfe52d8d9920f44ec5b1d9fe77e44c2a [0,0,0,0,0,2|2,0,0]=4 2658 B12R1.255 O=C(O)CCOCc1nccs1 2cc792ce727609c221e3197a203b79c2 [0,0,0,0,0,2|2,0,0]=4 2659 B12R1.255 O=C(O)CCOCc1ncno1 8138bd0e957c155e4ac61ed8e8e2f846 [0,0,0,0,0,2|1,0,1]=4 2660 B12R1.255 O=C(O)CCOCc1ncns1 2ba3ac76c8a0da2363b4c13b2b8b3e58 [0,0,0,0,0,2|1,0,1]=4 2661 B12R1.255 O=C(O)CCOCc1ncon1 c659e8b6c3398411bf3c0a4e087e1092 [0,0,0,0,0,2|2,0,0]=4 2662 B12R1.255 O=C(O)CCOCc1nn[nH]n1 b87dde892e87e3849a8d40cb8f6e2c6b [0,0,0,0,0,2|2,0,0]=4 2663 B12R1.255 O=C(O)CCOCn1cccn1 5b2271949115717a35caf36451a07cea [0,0,0,0,0,2|2,0,0]=4 2664 B12R1.255 O=C(O)CCOCn1cncn1 bbcaf157dbc34761a7ed25e764ccd185 [0,0,0,0,0,2|1,0,1]=4 2665 B12R1.255 O=C(O)CNCCc1c[nH]cn1 28c3c5553ae7808a7a6752f8f825555c [0,0,0,0,0,2|0,0,0]=2 2666 B12R1.255 O=C(O)CNCCc1cc[nH]n1 951413b6f8dd66a136a3da6a782e8ed5 [0,0,0,0,0,2|2,0,0]=4 2667 B12R1.255 O=C(O)CNCCc1ccc[nH]1 ea5646582502ed2189e35ebafaa1f840 [0,0,0,0,0,2|1,0,1]=4 2668 B12R1.255 O=C(O)CNCCc1ccco1 b120de61f4d3984fe919620d8a506603 [0,0,0,0,0,2|2,0,0]=4 2669 B12R1.255 O=C(O)CNCCc1cccs1 8bca4fb35803e79ed6d7dc4a447762dd [0,0,0,0,0,2|2,0,0]=4 2670 B12R1.255 O=C(O)CNCCc1ccsc1 eea86bf5c494e6e6a29fced5c8d60f9c [0,0,0,0,0,2|2,0,0]=4 2671 B12R1.255 O=C(O)CNCCc1cn[nH]c1 d87caef79bb94c7c80b18051c31a3d44 [0,0,0,0,0,2|2,0,0]=4 2672 B12R1.255 O=C(O)CNCCc1cscn1 0b4cdd6d23e9229d6f9629a36a2d4ac3 [0,0,0,0,0,2|1,0,0]=3 2673 B12R1.255 O=C(O)CNCCc1ncc[nH]1 72a3c9f8d8547d16f9609cf4286b87b6 [0,0,0,0,0,2|2,0,0]=4 2674 B12R1.255 O=C(O)CNCCc1nccs1 1bbbb1a91fea6556dcc77b68046b0361 [0,0,0,0,0,2|2,0,0]=4 2675 B12R1.255 O=C(O)CNCCc1ncon1 4c05e73f6ee04bceb29c932b709f738c [0,0,0,0,0,2|2,0,0]=4 2676 B12R1.255 O=C(O)CNCCn1cccn1 fe84f281a662e5f64188829e43847ebc [0,0,0,0,0,2|2,0,0]=4 2677 B12R1.255 O=C(O)CNCCn1cncn1 169f1c2cccd8216289d7ce9718735aae [0,0,0,0,0,2|1,0,1]=4 2678 B12R1.255 O=C(O)COCCc1c[nH]cn1 847075b3c972a42fca822276eda4e532 [0,0,0,0,0,2|0,0,0]=2 2679 B12R1.255 O=C(O)COCCc1cc[nH]n1 6e7fed088fd42c3fc69bc37e5ab6efb0 [0,0,0,0,0,2|2,0,0]=4 2680 B12R1.255 O=C(O)COCCc1ccc[nH]1 9f34bf1cccb6be58035f2d3ef0d72327 [0,0,0,0,0,2|1,0,1]=4 2681 B12R1.255 O=C(O)COCCc1ccco1 130df2e9052ca471804d7f84477f7c34 [0,0,0,0,0,2|2,0,0]=4 2682 B12R1.255 O=C(O)COCCc1cccs1 b27ce86f71ac660c5a477d011ca45db0 [0,0,0,0,0,2|2,0,0]=4 2683 B12R1.255 O=C(O)COCCc1ccoc1 e6dc92ea23e147974132205bd2306365 [0,0,0,0,0,2|2,0,0]=4 2684 B12R1.255 O=C(O)COCCc1ccon1 81053ebdf1f253ffc357b80121004a96 [0,0,0,0,0,2|2,0,0]=4 2685 B12R1.255 O=C(O)COCCc1ccsc1 cf92ebe34aa5e84f961518e33603de38 [0,0,0,0,0,2|2,0,0]=4 2686 B12R1.255 O=C(O)COCCc1cn[nH]c1 af3ddc551efebf2c6e89f2f847e7d26a [0,0,0,0,0,2|2,0,0]=4 2687 B12R1.255 O=C(O)COCCc1cscn1 514bc4c5bb92314696e7fc9e9471ab6a [0,0,0,0,0,2|1,0,0]=3 2688 B12R1.255 O=C(O)COCCc1ncc[nH]1 cb2c1af0158bc90e52efd911f1883795 [0,0,0,0,0,2|2,0,0]=4 2689 B12R1.255 O=C(O)COCCc1nccs1 52a74801229ee08bd8e8d089fcb0727d [0,0,0,0,0,2|2,0,0]=4 2690 B12R1.255 O=C(O)COCCc1ncon1 fb3a33e131cd19ed6f0383fd1dca3a80 [0,0,0,0,0,2|2,0,0]=4 2691 B12R1.255 O=C(O)COCCc1nn[nH]n1 f784d1e04cc729bf0277383e5d35d0c5 [0,0,0,0,0,2|2,0,0]=4 2692 B12R1.255 O=C(O)COCCn1cccn1 490ee9bda470deb783f5f45aec4897d5 [0,0,0,0,0,2|2,0,0]=4 2693 B12R1.255 O=C(O)COCCn1cncn1 5a0e96bb6f108fc2ea6a7ffe693a427f [0,0,0,0,0,2|1,0,1]=4 2694 B12R1.255 O=S(O)CCNCc1cocn1 f86a5f723759a20c4d0d85813d31c496 [0,0,0,0,0,2|2,0,0]=4 2695 B12R1.255 O=S(O)CCNCc1cscn1 f7b58382c5b3f370f11bc4a4d8655dd0 [0,0,0,0,0,2|2,0,0]=4 2696 B12R1.255 O=S(O)CCNCc1nc[nH]n1 5d6cfd6f01849b89e49e24dc4494d59a [0,0,0,0,0,2|2,0,0]=4 2697 B12R1.255 O=S(O)COCCc1c[nH]cn1 8074216818ea8bf6c7fb9c3c6fd2b5ce [0,0,0,0,0,2|1,0,0]=3 2698 B12R1.255 O=S(O)COCCc1cscn1 588257397e61ec3a139f75b1cfa19cf2 [0,0,0,0,0,2|2,0,0]=4 2699 B12R1.255 O=[N+]([O-])CCCOc1c[nH]cn1 0ce705ee083e0ebc17581499bba70076 [0,0,0,0,0,2|1,0,1]=4 2700 B12R1.255 O=[N+]([O-])CNCCc1c[nH]cn1 11f2b8fd11145f3aec06e0653b94a111 [0,0,0,0,0,2|1,0,1]=4 2701 B12R1.255 O=[N+]([O-])COCCc1c[nH]cn1 4fda680930d80d6f506947a63d756dc0 [0,0,0,0,0,2|1,0,1]=4