0 B17R3.1910 c1c[nH]c(n1)Nc2ccnc3c2CCO3 2d4075058cacca178259ce782fb3b114 [0,0,0,0,0,0|2,0,2]=4 1 B17R3.1910 c1c[nH]c(n1)Nc2ncnc3c2CCC3 3a353a0409ad2f477a39264cf4ae0909 [0,0,0,0,0,0|2,0,2]=4 2 B17R3.1910 c1cc(c2c(c1)OCC2)Nc3c[nH]cn3 0f0278199f894e8fa3037f1011b64513 [0,0,0,0,0,0|3,0,1]=4 3 B17R3.1910 c1cc(c2c(c1)OCC2)Nc3nccs3 88ea4ef113d48713087889752bca555e [0,0,0,0,0,0|2,0,2]=4 4 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)CCC2 6a3f2d33cf4b25bce7fc9b763b2c64c8 [0,0,0,0,0,0|2,0,1]=3 5 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)OCC2 a69b9d2582af2a905000be2fa1fd489c [0,0,0,0,0,0|3,0,1]=4 6 B17R3.1910 c1cc2c(c(c1)Nc3c[nH]cn3)COC2 0dc26401a17b7a6e48e63fa83ffafe5b [0,0,0,0,0,0|3,0,1]=4 7 B17R3.1910 c1cc2c(c(c1)Nc3c[nH]cn3)OCC2 e0f5a00ac9c328d4ef04cb2a04ce9af7 [0,0,0,0,0,0|3,0,1]=4 8 B17R3.1910 c1cc2c(c(c1)Nc3cc[nH]n3)OCC2 034392beb83460f586c74c4faf56360e [0,0,0,0,0,0|3,0,1]=4 9 B17R3.1910 c1cc2c(c(c1)Nc3ccns3)CCC2 1e7c45a2c495f9033d52fc2e49689662 [0,0,0,0,0,0|3,0,1]=4 10 B17R3.1910 c1cc2c(c(c1)Nc3ccon3)OCC2 9dfa1fde767cd338e2f8a69504f3e0d2 [0,0,0,0,0,0|3,0,1]=4 11 B17R3.1910 c1cc2c(c(c1)Nc3cnoc3)CCC2 5f508c1d4355f38986baca419587a471 [0,0,0,0,0,0|4,0,0]=4 12 B17R3.1910 c1cc2c(c(c1)Nc3cnon3)OCC2 5f6fb15fb10fc7182eef1648faefb4b7 [0,0,0,0,0,0|4,0,0]=4 13 B17R3.1910 c1cc2c(c(c1)Nc3cnsc3)CCC2 196655cff6b69d95b86d2ac7b1164e65 [0,0,0,0,0,0|4,0,0]=4 14 B17R3.1910 c1cc2c(c(c1)Nc3cnsn3)OCC2 60bc4aae59a94bf47075ca3668ece403 [0,0,0,0,0,0|4,0,0]=4 15 B17R3.1910 c1cc2c(c(c1)Nc3cocn3)CCC2 7c948c6a2cc29c477c5e0f4a901af84f [0,0,0,0,0,0|2,0,1]=3 16 B17R3.1910 c1cc2c(c(c1)Nc3cocn3)OCC2 389cbcb9249c6db5f6b0d52a063c01dc [0,0,0,0,0,0|3,0,1]=4 17 B17R3.1910 c1cc2c(c(c1)Nc3cscn3)CCN2 396910ad5cb25d16ebc0ea970ab64df6 [0,0,0,0,0,0|3,0,1]=4 18 B17R3.1910 c1cc2c(c(c1)Nc3cscn3)CNC2 b8e5d35ad689320a2cb632b66e8304da [0,0,0,0,0,0|3,0,1]=4 19 B17R3.1910 c1cc2c(c(c1)Nc3csnn3)OCC2 cac9875f443814a08279b1b8db66c652 [0,0,0,0,0,0|4,0,0]=4 20 B17R3.1910 c1cc2c(c(c1)Nc3nc[nH]n3)OCC2 f07035daf38a6715fce5d36b2e14af6b [0,0,0,0,0,0|2,0,2]=4 21 B17R3.1910 c1cc2c(c(c1)Nc3ncc[nH]3)OCC2 9801dcfade8c04d29925afe2da23a4de [0,0,0,0,0,0|1,0,2]=3 22 B17R3.1910 c1cc2c(c(c1)Nc3ncco3)OCC2 5a4a034fa2d660278229bb95f42c990f [0,0,0,0,0,0|2,0,2]=4 23 B17R3.1910 c1cc2c(c(c1)Nc3nccs3)OCC2 28ccd610663897ef66c20046a752f1e2 [0,0,0,0,0,0|2,0,2]=4 24 B17R3.1910 c1cc2c(c(c1)Nc3ncns3)CCN2 ff16d607854a0a56521bfa841fd988ef [0,0,0,0,0,0|3,0,1]=4 25 B17R3.1910 c1cc2c(c(c1)Nc3ncon3)CCN2 a7b2f07cf282a2ea178d99c14230dcea [0,0,0,0,0,0|2,0,2]=4 26 B17R3.1910 c1cc2c(c(c1)Nc3nn[nH]n3)CCN2 395cde0faeb0ab67de09a2bd91b7cbcf [0,0,0,0,0,0|3,0,1]=4 27 B17R3.1910 c1cc2c(c(c1)Nc3nn[nH]n3)NCC2 32903dd4628b77775202e7176efbaf7a [0,0,0,0,0,0|3,0,1]=4 28 B17R3.1910 c1cc2c(c(c1)Nc3nn[nH]n3)OCC2 be9a7890ddba20b1d2bbe97ec5109d52 [0,0,0,0,0,0|3,0,1]=4 29 B17R3.1910 c1cc2c(c(c1)Nc3nnco3)OCC2 d3cb7cfedae4ba8c6f1106d63e5b3017 [0,0,0,0,0,0|3,0,1]=4 30 B17R3.1910 c1cc2c(c(c1)Nc3nncs3)CCN2 6df23cecb8bc3a9eba3b9806534ac874 [0,0,0,0,0,0|3,0,1]=4 31 B17R3.1910 c1cc2c(c(c1)Nc3nncs3)OCC2 fc82950dc2a9bf882b5ca5784e6a2625 [0,0,0,0,0,0|3,0,1]=4 32 B17R3.1910 c1cc2c(c(c1)OC3CCCC3)CCC2 f96a1c7e6015b1c5ba095443b610d589 [0,0,0,0,0,0|3,0,1]=4 33 B18R3.4 O=C1CCc2c1cccc2Nc3ncc[nH]3 825c279ff5e2d923a2e405d8f3b652d3 [0,1,0,0,0,0|0,0,3]=4 34 B18R3.2923 Cc1n[nH]c(n1)Nc2cccc3c2CCO3 935035d6a869c455e7acc7c60f5d4341 [0,1,0,0,0,0|2,0,1]=4 35 B18R3.2923 Cc1n[nH]c(n1)Nc2cccc3c2OCC3 d706d110ab6dfd8bb01129fe44b10869 [0,1,0,0,0,0|2,0,1]=4 36 B18R3.2923 Cc1n[nH]c(n1)Nc2ccnc3c2CCC3 3afd7963a76821aa5de2b874ccd45686 [0,1,0,0,0,0|2,0,1]=4 37 B18R3.2923 Fc1cc(n[nH]1)Nc2cccc3c2CCC3 d21e55b1a5f4dc789ba3f8d1293e4604 [0,1,0,0,0,0|2,0,1]=4 38 B18R3.2923 Nc1nc(co1)Nc2cccc3c2CCC3 086e7bb8196f86a5eb751f97809d7768 [0,1,0,0,0,0|2,0,1]=4 39 B18R3.2923 O=c1[nH]nc([nH]1)Nc2cccc3c2CCC3 fe49f4023e35111d210c636dfa4ea17c [0,1,0,0,0,0|1,0,1]=3 40 B18R3.2923 O=c1[nH]nc([nH]1)Nc2cccc3c2CCN3 4504e5e02814d5dbbe7c1b6cb3cc07fe [0,1,0,0,0,0|2,0,1]=4 41 B18R3.2923 O=c1[nH]nc([nH]1)Nc2cccc3c2CCO3 195b1609bd0c481d677683028fa54c90 [0,1,0,0,0,0|2,0,1]=4 42 B18R3.2923 O=c1[nH]nc([nH]1)Nc2cccc3c2OCC3 2934e7920235e65cf222f1b508c181a7 [0,1,0,0,0,0|2,0,1]=4 43 B18R3.2923 OC1CCC(C1)Nc2cccc3c2CCC3 20c01daa311dc4ea1b129806ad80e1b3 [0,1,0,0,0,0|2,0,1]=4 44 B18R3.2923 O[C@@H]1CC[C@@H](C1)Nc2cccc3c2CCC3 b0526d97318c6a29e573da0d7e67c9c2 [0,1,0,0,0,0|2,0,1]=4 45 B18R3.2923 O[C@@H]1CC[C@H](C1)Nc2cccc3c2CCC3 4fb3e7ca41b972002a4fe4dc44c31852 [0,1,0,0,0,0|2,0,1]=4 46 B18R3.2923 O[C@H]1CC[C@@H](C1)Nc2cccc3c2CCC3 b687541a689a7b6fec32c26dd08637c1 [0,1,0,0,0,0|2,0,1]=4 47 B18R3.2923 O[C@H]1CC[C@H](C1)Nc2cccc3c2CCC3 f0b134628f54f8d619235ccd1b139890 [0,1,0,0,0,0|2,0,1]=4 48 B18R3.2923 Oc1cc(n[nH]1)Nc2cccc3c2CCC3 2c9da0dae4deb2cb6334211d43f5fc82 [0,1,0,0,0,0|2,0,1]=4 49 B18R3.2923 Sc1nc(n[nH]1)Nc2cccc3c2CCC3 fab461e578804a71b612f8849079ff86 [0,1,0,0,0,0|1,0,2]=4 50 B18R3.3808 Cc1c[nH]nc1Nc2cccc3c2CCC3 5c6c73d333ca1fcb98d954fbe683b68e [0,1,0,0,0,0|2,0,1]=4 51 B18R3.3808 Cn1ccnc1Nc2cccc3c2COC3 6c724d91059acce8d62c66ab83edc1a4 [0,1,0,0,0,0|1,0,2]=4 52 B18R3.3808 Cn1ccnc1Nc2cccc3c2OCC3 3065cc292ab1c5462764d078ae516565 [0,1,0,0,0,0|1,0,2]=4 53 B18R3.3808 Cn1cnnc1Nc2cccc3c2CCC3 8dcdd1058fa62e783fd84d377f3af5fa [0,1,0,0,0,0|1,0,1]=3 54 B18R3.3808 Cn1cnnc1Nc2cccc3c2CCN3 b3816e8ced18c2ea6c375f001268418e [0,1,0,0,0,0|2,0,1]=4 55 B18R3.3808 Cn1cnnc1Nc2cccc3c2CCO3 e5c0a884ce3269b145a992685e914ac6 [0,1,0,0,0,0|2,0,1]=4 56 B18R3.3808 Cn1cnnc1Nc2cccc3c2CNC3 5c161aed9280b573eba7180c8463963e [0,1,0,0,0,0|2,0,1]=4 57 B18R3.3808 Cn1cnnc1Nc2cccc3c2OCC3 8491467ebf7634822382c238b656b12d [0,1,0,0,0,0|2,0,1]=4 58 B18R3.3808 Cn1nnnc1Nc2cccc3c2OCC3 e83f32494be0ee3cda9107ac557ecaa5 [0,1,0,0,0,0|3,0,0]=4 59 B18R3.3808 Fc1cn[nH]c1Nc2cccc3c2CCC3 2d2807b1fafa78394494f922b28fc204 [0,1,0,0,0,0|2,0,1]=4 60 B18R3.3808 O=C1CCCC1Nc2cccc3c2CCC3 094ccd30487f8c4b429b7cf5baf802e7 [0,1,0,0,0,0|2,0,1]=4 61 B18R3.3808 OC1CCCC1Nc2cccc3c2CCC3 b45d3e501f1b45498ba823497afd14c6 [0,1,0,0,0,0|2,0,1]=4 62 B18R3.3808 O[C@@H]1CCC[C@H]1Nc2cccc3c2CCC3 c5c38aeb294d32d2ff4688afdff7facc [0,1,0,0,0,0|2,0,1]=4 63 B18R3.3808 O[C@H]1CCC[C@@H]1Nc2cccc3c2CCC3 8a5a496d32eeb04b61f2bb33964b9df7 [0,1,0,0,0,0|2,0,1]=4 64 B18R3.4227 Cc1ccc2c(c1NC3CCCC3)CCC2 b39167da9bc097821dda321c60c0afb5 [0,1,0,0,0,0|2,0,1]=4 65 B18R3.4227 Cc1ccc2c(c1Nc3c[nH]cn3)CCC2 1aafd848d3e1fec28f60efd2b011d73c [0,1,0,0,0,0|2,0,1]=4 66 B18R3.4227 Cc1ccc2c(c1Nc3cc[nH]n3)CCC2 82a20635931d9b84cc6f89deb52d3f48 [0,1,0,0,0,0|2,0,1]=4 67 B18R3.6125 Fc1cc2c(c(c1)Nc3ncc[nH]3)OCC2 fd34b983cc53431073079a3212f71d32 [0,1,0,0,0,0|1,0,2]=4 68 B18R3.6125 O=c1cc(c2c([nH]1)CCC2)Nc3ncc[nH]3 50232178c35c72d00978f2c4fce3debb [0,1,0,0,0,0|1,0,2]=4 69 B18R3.6952 CC1Cc2cccc(c2O1)Nc3ncc[nH]3 19cb75924e116f7501dc24f021b56541 [0,1,0,0,0,0|1,0,2]=4 70 B18R3.6952 FC1Cc2cccc(c2C1)Nc3cc[nH]n3 4acad989d23e76d433ce3f9965ee5654 [0,1,0,0,0,0|2,0,1]=4 71 B18R3.6952 FC1Cc2cccc(c2C1)Nc3ccon3 c5ca78a5c1f4d869fae1b9d2f3563df2 [0,1,0,0,0,0|2,0,1]=4 72 B18R3.6952 FC1Cc2cccc(c2C1)Nc3cnon3 7be4c7bd780584e1f30c7df1455978d4 [0,1,0,0,0,0|3,0,0]=4 73 B18R3.6952 FC1Cc2cccc(c2C1)Nc3cocn3 482debbc684416d446eb35197925af12 [0,1,0,0,0,0|2,0,1]=4 74 B18R3.6952 OC1Cc2cccc(c2C1)NC3CCCC3 df153aa143f2f4b611c78ac7f8447adb [0,1,0,0,0,0|2,0,1]=4 75 B18R3.6952 OC1Cc2cccc(c2C1)Nc3c[nH]cn3 71571e9add55794abd0ab4941325e5d8 [0,1,0,0,0,0|2,0,1]=4 76 B18R3.6952 OC1Cc2cccc(c2C1)Nc3ncco3 6040315fafc84bfc695a752ea00cab54 [0,1,0,0,0,0|1,0,2]=4 77 B18R3.6952 OC1Cc2cccc(c2C1)Nc3nccs3 fdd88bdf4a38650f7c84972db56f069c [0,1,0,0,0,0|1,0,2]=4 78 B18R3.98485 Fc1ccc(c2c1CCC2)Nc3c[nH]cn3 f136f0d74c57e8ed1df258c1aee50cf4 [0,1,0,0,0,0|2,0,1]=4 79 B18R3.1438206 CN(c1nnc[nH]1)c2cccc3c2OCC3 726cea7981860c09fde35183f9c81612 [0,1,0,0,0,0|2,0,1]=4 80 B16R2.572 CCCc1cccc(c1)NC2CCCC2 c927727114a930febaccc88ef57463a1 [0,0,1,0,0,0|2,0,1]=4 81 B16R2.572 CCCc1cccc(c1)Nc2cc[nH]n2 2fed57142b205ab5a0c66d74c7350b04 [0,0,1,0,0,0|2,0,1]=4 82 B16R2.572 CCCc1cccc(c1)Nc2ccon2 e74f9aee9d5ae3b1301d674781eda112 [0,0,1,0,0,0|2,0,1]=4 83 B16R2.572 CCCc1cccc(c1)Nc2cnon2 e4f12bef150e1a408aa0fc420d592210 [0,0,1,0,0,0|3,0,0]=4 84 B16R2.572 CCCc1cccc(c1)Nc2cocn2 f9e3a714c9e71f27303c89c8e41b7d60 [0,0,1,0,0,0|2,0,1]=4 85 B16R2.572 CCCc1cccc(c1)Nc2cscn2 1f82512239da36e95194039bd91bc06b [0,0,1,0,0,0|2,0,1]=4 86 B16R2.572 CCCc1cccc(c1)Nc2nn[nH]n2 4f01622770e120b87ed4763430858493 [0,0,1,0,0,0|2,0,1]=4 87 B16R2.572 CCCc1cccc(c1)Nc2nnco2 2974e524dfc3cf361639664934b20369 [0,0,1,0,0,0|2,0,1]=4 88 B16R2.1957 CCc1cccc(c1C)Nc2cc[nH]n2 a5ddf945841b977ec8ce8282d9417634 [0,0,1,0,0,0|2,0,1]=4 89 B16R2.1957 CCc1cccc(c1C)Nc2ccon2 653673436c8be10246c8d6b588248a06 [0,0,1,0,0,0|2,0,1]=4 90 B16R2.1957 CCc1cccc(c1C)Nc2cnon2 ff32d1456ca8e85b7b5d833436f3a226 [0,0,1,0,0,0|3,0,0]=4 91 B16R2.1957 CCc1cccc(c1C)Nc2cocn2 bcc0831a392829cda6133e99156db0b4 [0,0,1,0,0,0|2,0,1]=4 92 B16R2.1957 CCc1cccc(c1C)Nc2cscn2 85c242b12ae2cd947aecadadc0b4add8 [0,0,1,0,0,0|2,0,1]=4 93 B16R2.1957 CCc1cccc(c1C)Nc2nnco2 ff3d761c8c59ffd561e4570cf1154f50 [0,0,1,0,0,0|2,0,1]=4 94 B16R2.2304 CCCc1ccccc1NC2CCCC2 eb9cf9e4cd50546bcd95b57b7b114e65 [0,0,1,0,0,0|2,0,1]=4 95 B16R2.2304 CCCc1ccccc1Nc2cocn2 23fd6969f054b856b6b20f4b528d4633 [0,0,1,0,0,0|2,0,1]=4 96 B16R2.2698 CCc1c(cccc1Nc2cnsn2)C 28ee7a45c340ac33ba53bfa8951cfd50 [0,0,1,0,0,0|3,0,0]=4 97 B16R2.2698 COc1c(cccc1Nc2ncc[nH]2)C 4eff70a54519c02d4f13eb93397970f9 [0,0,1,0,0,0|1,0,2]=4 98 B16R2.11632 CCCCCNc1cccc2c1CCC2 09fe52d4f4f255e84add55d758c29539 [0,0,1,0,0,0|2,0,1]=4 99 B16R2.11632 ClCCCCNc1cccc2c1CCC2 97bd93550e58625c70c78f19dfcd3f94 [0,0,1,0,0,0|2,0,1]=4 100 B16R2.11632 FCCCCNc1cccc2c1CCC2 838c2f95c67ea4611a961a1a77d813e8 [0,0,1,0,0,0|2,0,1]=4 101 B16R2.11632 OCCCCNc1cccc2c1CCC2 8442e994af63f2a99caa30f1d0244d47 [0,0,1,0,0,0|2,0,1]=4 102 B16R2.11632 SCCCCNc1cccc2c1CCC2 d6bef95a12ccb71ff75984cd8571cb5d [0,0,1,0,0,0|2,0,1]=4 103 B16R2.26671 CCC(CC)Nc1cccc2c1CCC2 27229748c6f1a9db3ac9b94dba0fd900 [0,0,1,0,0,0|2,0,1]=4 104 B16R2.29551 C/C=C/C(=O)Nc1cccc2c1CCC2 f461459da890e20782e20225de158aed [0,0,1,0,0,0|2,0,1]=4 105 B16R2.29551 CC#CC(=O)Nc1cccc2c1CCC2 793045d72aded29d982dbb4b3b6d65f0 [0,0,1,0,0,0|2,0,1]=4 106 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 953db196cb4f62833853c302f0286f7a [0,0,1,0,0,0|2,0,0]=3 107 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 07fd1921d9ff8fdec22aa5ea47fadd2d [0,0,1,0,0,0|3,0,0]=4 108 B16R2.29551 CCCC(=O)Nc1cccc2c1COC2 9d70da0c756457412afb93593f806f3a [0,0,1,0,0,0|3,0,0]=4 109 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 5a66ed6ed65e369d873f0a399e4fd74c [0,0,1,0,0,0|3,0,0]=4 110 B16R2.29551 CCCC(C)Nc1cccc2c1CCC2 09cdd1e018e36622fe154c6343fe5e75 [0,0,1,0,0,0|2,0,1]=4 111 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 18ee013294629e0c9d18fd01efeb750b [0,0,1,0,0,0|3,0,0]=4 112 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 b1298ed487c6f5b3968275895f08f317 [0,0,1,0,0,0|3,0,0]=4 113 B16R2.29551 N#CNC(=S)Nc1cccc2c1CCC2 d61183dc582b6955f031629fcf1be3f7 [0,0,1,0,0,0|2,0,1]=4 114 B16R2.29551 O=C(CCF)Nc1cccc2c1CCC2 f33fd58f4f106541bb2cac114b966b59 [0,0,1,0,0,0|3,0,0]=4 115 B16R2.29551 O=C(CCO)Nc1cccc2c1CCC2 0002cbcd07df52e72db69ddb29fee97c [0,0,1,0,0,0|3,0,0]=4 116 B16R2.29551 O=C(CCS)Nc1cccc2c1CCC2 81f827a834d84d51f64a198fa2e05477 [0,0,1,0,0,0|3,0,0]=4 117 B16R3.2208 c1cc2c(c(c1)NC3CCC3)CCC2 30b68c7d49cdb6d8b912ed00a518e138 [0,0,0,0,1,0|1,0,1]=3 118 B16R3.2208 c1cc2c(c(c1)NC3CCC3)OCC2 dcd3fb04eb6ebbdd3531bbb43ec01134 [0,0,0,0,1,0|2,0,1]=4 119 B16R3.2208 c1cc2c(c(c1)OC3CCC3)CCC2 3bbac7e3278d2e9b289c1709d7f0029c [0,0,0,0,1,0|2,0,1]=4 120 B16R3.5924 c1c[nH]c(c1)c2cccc3c2CCC3 285e554c9470d251c73c513118628f17 [0,0,0,0,1,0|1,0,2]=4 121 B16R3.5924 c1cc2c(c(c1)c3c[nH]cn3)CCC2 6eaacebfdd6788f7f71da1307eca2a27 [0,0,0,0,1,0|2,0,1]=4 122 B16R3.5924 c1cc2c(c(c1)c3c[nH]nn3)CCC2 8c15fab3c5fd73169de92d53ec434450 [0,0,0,0,1,0|3,0,0]=4 123 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CCC2 e63d6422fd93183db9418b04e86b549b [0,0,0,0,1,0|2,0,1]=4 124 B16R3.5924 c1cc2c(c(c1)c3ccsn3)CCC2 cdc653afcac7831a8ae4a451f23a4cb4 [0,0,0,0,1,0|2,0,1]=4 125 B16R3.5924 c1cc2c(c(c1)c3cnsn3)CCC2 bd63d82b7268bf64daf9abb6bcb2c1c6 [0,0,0,0,1,0|3,0,0]=4 126 B16R3.5924 c1cc2c(c(c1)c3cocn3)CCC2 de341cf9df178d3a3f982c6ddeca7af9 [0,0,0,0,1,0|2,0,1]=4 127 B16R3.5924 c1cc2c(c(c1)c3cscn3)CCC2 9c816ed0fd1f0a36f9aa377f85ea3b7c [0,0,0,0,1,0|2,0,1]=4 128 B16R3.5924 c1cc2c(c(c1)c3csnn3)CCC2 c2d563b8e482df69fe97161db1436187 [0,0,0,0,1,0|3,0,0]=4 129 B16R3.5924 c1cc2c(c(c1)c3nc[nH]n3)CCC2 96ecd70357d60958b3f3bff5cf4b1e0d [0,0,0,0,1,0|1,0,2]=4 130 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCC2 b6657e25eebf9446036e69f1075dca3b [0,0,0,0,1,0|0,0,2]=3 131 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCN2 b6dedcda27f270c0e9209b5e2adb38c8 [0,0,0,0,1,0|1,0,2]=4 132 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCO2 efe83caf8890c8c2f360582e6127ccab [0,0,0,0,1,0|1,0,2]=4 133 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CNC2 a6e05d0ecad8e88d968002eba12dda20 [0,0,0,0,1,0|1,0,2]=4 134 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)COC2 04e0e9e197e5676085d3ac536820b9c2 [0,0,0,0,1,0|1,0,2]=4 135 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)NCC2 49ca4d7f837726f28edce1685d4d6206 [0,0,0,0,1,0|1,0,2]=4 136 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)OCC2 fa3f59b61bb84fba258dc882f7b81844 [0,0,0,0,1,0|1,0,2]=4 137 B16R3.5924 c1cc2c(c(c1)c3ncco3)CCC2 cb8adf96b54ff820ff10abe650391bee [0,0,0,0,1,0|1,0,2]=4 138 B16R3.5924 c1cc2c(c(c1)c3nccs3)CCC2 82453062a16e6ca60f79c47362a2cd31 [0,0,0,0,1,0|1,0,2]=4 139 B16R3.5924 c1cc2c(c(c1)c3ncns3)CCC2 c9a173fb56030115a634022878e83ecc [0,0,0,0,1,0|2,0,1]=4 140 B16R3.5924 c1cc2c(c(c1)c3ncsn3)CCC2 737e2f0a6548de71576e168f356db706 [0,0,0,0,1,0|1,0,2]=4 141 B16R3.5924 c1cc2c(c(c1)c3nn[nH]n3)CCC2 45419869cb0630697ba97257a1e4d6a1 [0,0,0,0,1,0|2,0,1]=4 142 B16R3.5924 c1cc2c(c(c1)c3nnco3)CCC2 9594fdf07bf32e039bd4449770e56492 [0,0,0,0,1,0|2,0,1]=4 143 B16R3.5924 c1cc2c(c(c1)c3nncs3)CCC2 420b72637be73cf282bf81602ccd557b [0,0,0,0,1,0|2,0,1]=4 144 B18R3.11 c1cc(c2c(c1)OCCC2)Nc3c[nH]cn3 4bfd66ea7db62ab6dce0f107d831e658 [0,0,0,0,0,1|2,0,1]=4 145 B18R3.11 c1cc(c2c(c1)OCCC2)Nc3cnsn3 bb4b56a3ab07241856e5082b521105c8 [0,0,0,0,0,1|3,0,0]=4 146 B18R3.11 c1cc(c2c(c1)OCCC2)Nc3ncco3 867781c3ef1db5950fcb4c324edb2d30 [0,0,0,0,0,1|1,0,2]=4 147 B18R3.11 c1cc(c2c(c1)OCCC2)Nc3nccs3 5bb63622f056fad238a86c2961868ec8 [0,0,0,0,0,1|1,0,2]=4 148 B18R3.11 c1cc2c(c(c1)NC3CCCC3)CCCC2 820f3458126083e5e098cc14ba189d28 [0,0,0,0,0,1|2,0,1]=4 149 B18R3.11 c1cc2c(c(c1)NC3CCCC3)COCC2 84d84c94d64ae78fbf66f8c911cf385e [0,0,0,0,0,1|2,0,1]=4 150 B18R3.11 c1cc2c(c(c1)NC3CCCC3)OCCC2 e793c2d0785109d8bced8e58889b0212 [0,0,0,0,0,1|2,0,1]=4 151 B18R3.11 c1cc2c(c(c1)Nc3c[nH]cn3)COCC2 3914bdb9f3be7e661d2c74470b40c554 [0,0,0,0,0,1|2,0,1]=4 152 B18R3.11 c1cc2c(c(c1)Nc3c[nH]cn3)OCCC2 f466541e5291eddce6ed0ca7ab92c615 [0,0,0,0,0,1|2,0,1]=4 153 B18R3.11 c1cc2c(c(c1)Nc3c[nH]nn3)OCCC2 7a14eb0599e2dd72569aeca0b2049d06 [0,0,0,0,0,1|3,0,0]=4 154 B18R3.11 c1cc2c(c(c1)Nc3cc[nH]n3)COCC2 b923d4cbac1d680012b34ebb4cbeabed [0,0,0,0,0,1|2,0,1]=4 155 B18R3.11 c1cc2c(c(c1)Nc3cc[nH]n3)OCCC2 5c6afececccf37df0023c6d31720f5cd [0,0,0,0,0,1|2,0,1]=4 156 B18R3.11 c1cc2c(c(c1)Nc3ccon3)OCCC2 b507f730da0976989f502e79c914e8d0 [0,0,0,0,0,1|2,0,1]=4 157 B18R3.11 c1cc2c(c(c1)Nc3ccsn3)OCCC2 a99ca1c28caae62b814a513f873246b7 [0,0,0,0,0,1|2,0,1]=4 158 B18R3.11 c1cc2c(c(c1)Nc3cnsn3)COCC2 7ae0b334243ba9cb30126fa19794f798 [0,0,0,0,0,1|3,0,0]=4 159 B18R3.11 c1cc2c(c(c1)Nc3cnsn3)OCCC2 c50872efa4ee68135f55821f6f9aaa53 [0,0,0,0,0,1|3,0,0]=4 160 B18R3.11 c1cc2c(c(c1)Nc3cscn3)CCNC2 a8597755cec28d2fd8991cc99755a4ea [0,0,0,0,0,1|2,0,1]=4 161 B18R3.11 c1cc2c(c(c1)Nc3cscn3)CNCC2 257761674cf8f82a48cfc98981945905 [0,0,0,0,0,1|2,0,1]=4 162 B18R3.11 c1cc2c(c(c1)Nc3cscn3)OCCC2 79c17a7e410bc3d108aadd8c06c63636 [0,0,0,0,0,1|2,0,1]=4 163 B18R3.11 c1cc2c(c(c1)Nc3csnn3)OCCC2 9a326181cc4789eca8cd0e00b6123785 [0,0,0,0,0,1|3,0,0]=4 164 B18R3.11 c1cc2c(c(c1)Nc3nc[nH]n3)OCCC2 96b79cc5cd07d91d5a76ca932434b4ce [0,0,0,0,0,1|1,0,2]=4 165 B18R3.11 c1cc2c(c(c1)Nc3ncc[nH]3)OCCC2 ad27fe2ad8e5cee7eee47b5cefb468f3 [0,0,0,0,0,1|0,0,2]=3 166 B18R3.11 c1cc2c(c(c1)Nc3ncco3)COCC2 43f3566c93a5859a678d032faf4a3fd3 [0,0,0,0,0,1|1,0,2]=4 167 B18R3.11 c1cc2c(c(c1)Nc3ncco3)OCCC2 9c8b2032019593d5270db7725bfb1d72 [0,0,0,0,0,1|1,0,2]=4 168 B18R3.11 c1cc2c(c(c1)Nc3nccs3)OCCC2 6f89e35aa484067690599ead54f4e1c0 [0,0,0,0,0,1|1,0,2]=4 169 B18R3.11 c1cc2c(c(c1)Nc3ncns3)CCNC2 c769d0c0725dbb3119699048a5125a5c [0,0,0,0,0,1|2,0,1]=4 170 B18R3.11 c1cc2c(c(c1)Nc3ncns3)OCCC2 61b9113518bed34deb4d28ec2a107cc4 [0,0,0,0,0,1|2,0,1]=4 171 B18R3.11 c1cc2c(c(c1)Nc3ncon3)CCNC2 e6966c4cdde940caac61d7d31bbb0757 [0,0,0,0,0,1|1,0,2]=4 172 B18R3.11 c1cc2c(c(c1)Nc3nn[nH]n3)CCCN2 d192d8c36dcac5d77ac5eee638af44cc [0,0,0,0,0,1|2,0,1]=4 173 B18R3.11 c1cc2c(c(c1)Nc3nn[nH]n3)CCNC2 78b79029a660561559d2ab3ab908be63 [0,0,0,0,0,1|2,0,1]=4 174 B18R3.11 c1cc2c(c(c1)Nc3nn[nH]n3)CNCC2 83fb4fac411d901206a16055ac21b17b [0,0,0,0,0,1|2,0,1]=4 175 B18R3.11 c1cc2c(c(c1)Nc3nn[nH]n3)NCCC2 cbf96b5489ee9f309a7f79b9d3e08f14 [0,0,0,0,0,1|2,0,1]=4 176 B18R3.11 c1cc2c(c(c1)Nc3nn[nH]n3)OCCC2 75a23a0707b4497f2627ba4125e89b2d [0,0,0,0,0,1|2,0,1]=4 177 B18R3.11 c1cc2c(c(c1)Nc3nnco3)CCCC2 84c93da7eb0441a73b446b0b2cd27b58 [0,0,0,0,0,1|2,0,1]=4 178 B18R3.11 c1cc2c(c(c1)Nc3nnco3)OCCC2 76ea4b0f9e40ff70e49c5428ceba8f51 [0,0,0,0,0,1|2,0,1]=4 179 B18R3.11 c1cc2c(c(c1)Nc3nncs3)OCCC2 a16179a65bb5450412a6fa063ed59801 [0,0,0,0,0,1|2,0,1]=4 180 B18R3.2115 C1=CC(CCC1)Nc2cccc3c2CCC3 29da775677fef3340e245507adfdf9fe [0,0,0,0,0,1|2,0,1]=4 181 B18R3.2115 c1cc2c(c(c1)NC3CCCCC3)CCC2 fe21a16ac6a268a171f4701f98e160f4 [0,0,0,0,0,1|2,0,1]=4 182 B18R3.2115 c1cc2c(c(c1)Nc3nccnn3)CCC2 efb72dfa6cc57455307f01dde0d65605 [0,0,0,0,0,1|0,0,3]=4 183 B18R3.2115 c1cncc(c1)Nc2cccc3c2CCC3 863dca4a0ce93e9347a078602fc91c44 [0,0,0,0,0,1|1,0,2]=4 184 B18R3.12721 C1=C(CCC1)CNc2cccc3c2CCC3 a31211a38595a8f076e2ac1ad5482b51 [0,0,0,0,0,1|2,0,0]=3 185 B18R3.12721 C1=C(CCC1)CNc2cccc3c2CCO3 6809c5f1084989af0e757f4d1297d25f [0,0,0,0,0,1|3,0,0]=4 186 B18R3.12721 C1=C(CCC1)CNc2cccc3c2COC3 8506eb39c1848fd4eba8265ea9582831 [0,0,0,0,0,1|3,0,0]=4 187 B18R3.12721 C1=C(CCC1)CNc2cccc3c2OCC3 de9ebe785066d718080063d164bd5964 [0,0,0,0,0,1|3,0,0]=4 188 B18R3.12721 C1=C(CCC1)COc2cccc3c2CCC3 bd52c61d5f8d6750c0a405d430908776 [0,0,0,0,0,1|3,0,0]=4 189 B18R3.12721 c1c[nH]c(c1)CNc2cccc3c2CCC3 41283ff983f0ad836cb1e7f297d484e0 [0,0,0,0,0,1|1,0,2]=4 190 B18R3.12721 c1c[nH]c(n1)CNc2ccnc3c2CCC3 59c0790b80b78704fdf318e9389c197f [0,0,0,0,0,1|1,0,2]=4 191 B18R3.12721 c1cc(c2c(c1)OCC2)CNc3ncc[nH]3 425511b959cd38ebe58f55707e8458cc [0,0,0,0,0,1|1,0,2]=4 192 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3ncc[nH]3 7645750f9bbb6728049d26028172dc30 [0,0,0,0,0,1|1,0,2]=4 193 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3ncn[nH]3 335dd04d6e6dbb22d2b8921cf9859b06 [0,0,0,0,0,1|2,0,1]=4 194 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3nnn[nH]3 67dfbc56e9acaca57e2fe5255d16bcfe [0,0,0,0,0,1|3,0,0]=4 195 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3nnn[nH]3 6257f8fff322215c8f6143f47662b331 [0,0,0,0,0,1|3,0,0]=4 196 B18R3.12721 c1cc2c(c(c1)NCC3CCCC3)CCC2 ceb013b9f35ddc84f4ca84d746f60967 [0,0,0,0,0,1|2,0,1]=4 197 B18R3.12721 c1cc2c(c(c1)NCC3CCCO3)CCC2 a52217d93cbe357c5518c7971a4c947f [0,0,0,0,0,1|2,0,1]=4 198 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]nn3)CCC2 f0cb1811454be1ecf347c4968591050e [0,0,0,0,0,1|3,0,0]=4 199 B18R3.12721 c1cc2c(c(c1)NCc3ccn[nH]3)CCC2 1e85afbb1268274c11b2de655911e34f [0,0,0,0,0,1|2,0,1]=4 200 B18R3.12721 c1cc2c(c(c1)NCc3ccon3)CCC2 0e3a67018abb398e09e85558bff4b486 [0,0,0,0,0,1|2,0,1]=4 201 B18R3.12721 c1cc2c(c(c1)NCc3ccsn3)CCC2 f1bf0ff8c52ddc22e1fc107143f2a7b5 [0,0,0,0,0,1|2,0,1]=4 202 B18R3.12721 c1cc2c(c(c1)NCc3cnc[nH]3)CCC2 ebd5aa495ef3505243eb3252ea2495c2 [0,0,0,0,0,1|2,0,1]=4 203 B18R3.12721 c1cc2c(c(c1)NCc3cocn3)CCC2 fd88d10373dc8ed23f035a67895071ef [0,0,0,0,0,1|2,0,1]=4 204 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 f857ddda268259f4cc0e5b9df8793ec6 [0,0,0,0,0,1|2,0,1]=4 205 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 45f710b891f7b2282ffab1b799012c71 [0,0,0,0,0,1|0,0,2]=3 206 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCN2 45f23dc9464be2aa4c483e9d44295229 [0,0,0,0,0,1|1,0,2]=4 207 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CNC2 af9a8b0d72ccd9c9ec85838ccb5580c8 [0,0,0,0,0,1|1,0,2]=4 208 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)COC2 c65b90ff1ea9fb1fd90f55d8271e2e0b [0,0,0,0,0,1|1,0,2]=4 209 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)NCC2 ba781a42ac49e16f80f7f0b98885acf7 [0,0,0,0,0,1|1,0,2]=4 210 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)OCC2 1ffe1c96f9a74b9351fbd4f7ee9bd7e3 [0,0,0,0,0,1|1,0,2]=4 211 B18R3.12721 c1cc2c(c(c1)NCc3ncco3)CCC2 9454b0f1d50cbcffd1ea72c285af5c18 [0,0,0,0,0,1|1,0,2]=4 212 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 1af2f8f915ea9f43381857caebfce369 [0,0,0,0,0,1|1,0,2]=4 213 B18R3.12721 c1cc2c(c(c1)NCc3ncn[nH]3)CCC2 a491eddcfebe3e8dd630df880f5d2ba8 [0,0,0,0,0,1|1,0,1]=3 214 B18R3.12721 c1cc2c(c(c1)NCc3ncn[nH]3)CCN2 22ca44b4deaf6e3ade118c08219d035d [0,0,0,0,0,1|2,0,1]=4 215 B18R3.12721 c1cc2c(c(c1)NCc3ncn[nH]3)CNC2 fa1de057a7393652891fe1a0ee007183 [0,0,0,0,0,1|2,0,1]=4 216 B18R3.12721 c1cc2c(c(c1)NCc3ncn[nH]3)NCC2 9cbdf9bd709d12c03d29ea812bda6e12 [0,0,0,0,0,1|2,0,1]=4 217 B18R3.12721 c1cc2c(c(c1)NCc3ncno3)CCC2 42f8ddd57bde363d70e42b5466ff235c [0,0,0,0,0,1|2,0,1]=4 218 B18R3.12721 c1cc2c(c(c1)NCc3ncon3)CCC2 c7df989d1cec0dd8cf45e9743d190245 [0,0,0,0,0,1|1,0,2]=4 219 B18R3.12721 c1cc2c(c(c1)NCc3nnco3)CCC2 f9fc8aeeacff8050d30420324e9ab0a8 [0,0,0,0,0,1|2,0,1]=4 220 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)CCC2 a2286bdbbb95a0f7ef750ca0f4c87c03 [0,0,0,0,0,1|2,0,0]=3 221 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)CCN2 42e4ba6cb156fa3e5722c3a962ae450c [0,0,0,0,0,1|3,0,0]=4 222 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)CNC2 d65eabbf77ca1afa2f44e074969e05af [0,0,0,0,0,1|3,0,0]=4 223 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)COC2 091853c9d58c78c423ccc807b7c9e701 [0,0,0,0,0,1|3,0,0]=4 224 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)OCC2 fd8f6061504b5df9440af36cb8ec04b7 [0,0,0,0,0,1|3,0,0]=4 225 B18R3.12721 c1cc2c(c(c1)OCc3ncc[nH]3)CCC2 de28030e2fbed95d4e32854972bcfb55 [0,0,0,0,0,1|1,0,2]=4 226 B18R3.12721 c1cc2c(c(c1)OCc3nnn[nH]3)CCC2 0821c5ab3fa2094d20966c2efaf8d3a9 [0,0,0,0,0,1|3,0,0]=4 227 B18R3.12721 c1n[nH]c(n1)CNc2ccnc3c2CCC3 ff20d61b575edf5360c4b66772a06d7f [0,0,0,0,0,1|2,0,1]=4 228 B15R2.4278 CCCCNc1cccc2c1CCC2 e31938c7c32c043f5005dc746ad3cf81 [1,0,1,0,0,0|1,0,1]=4 229 B15R2.4278 CCOCNc1cccc2c1CCC2 7d6e69ecd86100999c9eee4a64aaf324 [1,0,1,0,0,0|1,0,1]=4 230 B15R2.4278 ClCCCNc1cccc2c1CCC2 1fedb8317b94bae30dd458462bc8f0db [1,0,1,0,0,0|1,0,1]=4 231 B15R2.4278 FCCCNc1cccc2c1CCC2 2d04af7a054ac4674e2f6f4454b6a878 [1,0,1,0,0,0|1,0,1]=4 232 B15R2.4278 NOCCNc1cccc2c1CCC2 00251a4aa71ca82ee47b2591beb3536c [1,0,1,0,0,0|1,0,1]=4 233 B15R2.4278 OCCCNc1cccc2c1CCC2 b258c58f6ff48a6db3ef853badbd0e57 [1,0,1,0,0,0|1,0,1]=4 234 B15R2.4278 SCCCNc1cccc2c1CCC2 59e2d1f6c0ec8b2692733102f1af1a45 [1,0,1,0,0,0|1,0,1]=4 235 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 0519ae292094215c3531c0caac4214b8 [1,0,1,0,0,0|1,0,0]=3 236 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 1dd1359aa0adfe50a169c3c85a4de78e [1,0,1,0,0,0|2,0,0]=4 237 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 ad3e98e9b0f585e4f76d30ab537d3b69 [1,0,1,0,0,0|2,0,0]=4 238 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 02a14785642ae391d24248d89b11e043 [1,0,1,0,0,0|2,0,0]=4 239 B15R2.19139 CCC(C)Nc1cccc2c1CCC2 bde4648d6c18cd6bc313b93accdc9f92 [1,0,1,0,0,0|1,0,1]=4 240 B15R2.19139 O=C(CF)Nc1cccc2c1CCC2 191345345ec3463f4aa8a94df888f71f [1,0,1,0,0,0|2,0,0]=4 241 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 6be900b91a8e439cd570c38106a203a9 [1,0,1,0,0,0|2,0,0]=4 242 B17R2.5844 CCCc1cccc(c1)Nc2n[nH]c(=O)[nH]2 4b86f3642b6c4fd8f7a1f415057353c8 [0,1,1,0,0,0|1,0,1]=4 243 B17R2.5844 CCCc1cccc(c1)Nc2nc(n[nH]2)C 40d3dcfd0717451bbc9b630fd44c2f24 [0,1,1,0,0,0|1,0,1]=4 244 B17R2.5855 CCCc1cccc(c1)Nc2ncnn2C d6bdb8fb6d40febe7dd4568144ca3327 [0,1,1,0,0,0|1,0,1]=4 245 B17R2.5855 CCCc1cccc(c1)Nc2nncn2C d0d920fa30e21ba53860de5d6cd17ec6 [0,1,1,0,0,0|1,0,1]=4 246 B17R2.1799 CCc1cccc(c1C)Nc2n[nH]c(=O)[nH]2 3f5cdaef1aec50f82943cd4664f60808 [0,1,1,0,0,0|1,0,1]=4 247 B17R2.1799 CCc1cccc(c1C)Nc2nc(n[nH]2)C 7d2ba8f1a3474c1062e8c9ce24c45dc6 [0,1,1,0,0,0|1,0,1]=4 248 B17R2.2688 CCc1cccc(c1C)Nc2ncnn2C 476043b0fa76cc49ec9e6623ba4b7b02 [0,1,1,0,0,0|1,0,1]=4 249 B17R2.2688 CCc1cccc(c1C)Nc2nncn2C 3ce6d43370b6e1e647724cf2cf111a19 [0,1,1,0,0,0|1,0,1]=4 250 B17R2.2458 CCCc1ccccc1Nc2n[nH]c(=O)[nH]2 b094e045129f94db9299be2962f6b141 [0,1,1,0,0,0|1,0,1]=4 251 B17R2.2458 CCCc1ccccc1Nc2nc(n[nH]2)C 706b25840afada261f2ae89d9b7ccbb3 [0,1,1,0,0,0|1,0,1]=4 252 B17R2.5890 CCCc1ccccc1Nc2nncn2C 88be222a06192d69b3f83d45a9939e56 [0,1,1,0,0,0|1,0,1]=4 253 B17R2.3057 CCc1c(cccc1Nc2nccn2C)C 8fe3b611f877fb6c77abd701923b2ae8 [0,1,1,0,0,0|0,0,2]=4 254 B17R2.3057 CCc1c(cccc1Nc2nncn2C)C ff4aac25980023a154be39934e53dc9d [0,1,1,0,0,0|1,0,1]=4 255 B17R2.10878 CCC/C=C/CNc1cccc2c1CCC2 74184d11e5514c98fd360047500ca916 [0,1,1,0,0,0|2,0,0]=4 256 B17R2.10878 CCC/C=C\CNc1cccc2c1CCC2 b092d281aeaf5e72ebd47998a403ab94 [0,1,1,0,0,0|2,0,0]=4 257 B17R2.10878 NOCCCCNc1cccc2c1CCC2 47daa5cbb2cf5a9c536f4c706506d0ff [0,1,1,0,0,0|1,0,1]=4 258 B17R2.74423 C#CCNC(=S)Nc1cccc2c1CCC2 f8db70a3edf8bfff6e6b17495a058a80 [0,1,1,0,0,0|1,0,1]=4 259 B17R2.74423 CCCCC(=O)Nc1cccc2c1CCC2 e6622cd651856cc3e34e99e827dc436d [0,1,1,0,0,0|2,0,0]=4 260 B17R2.74423 CCCNC(=O)Nc1cccc2c1OCC2 a374866b353ecf8cc45a8e944aa682c1 [0,1,1,0,0,0|2,0,0]=4 261 B17R2.74423 CCCNC(=S)Nc1cccc2c1CCC2 52d07a588d6d12aae200a56d2536973c [0,1,1,0,0,0|1,0,0]=3 262 B17R2.74423 CCCNC(=S)Nc1cccc2c1CCO2 74487511734ad675967348e7b36e9dde [0,1,1,0,0,0|2,0,0]=4 263 B17R2.74423 CCCNC(=S)Nc1cccc2c1COC2 3ffa1187a5434a70b22ae69ae658cbaa [0,1,1,0,0,0|2,0,0]=4 264 B17R2.74423 CCCNC(=S)Nc1cccc2c1OCC2 650d09f13dc88928baaa6c1a929571f8 [0,1,1,0,0,0|2,0,0]=4 265 B17R2.74423 FCCNC(=S)Nc1cccc2c1CCC2 d06062160e145baafb3772b4d3349e67 [0,1,1,0,0,0|1,0,0]=3 266 B17R2.74423 FCCNC(=S)Nc1cccc2c1CCO2 48dcf1ea787c3c1a6582101789641ed3 [0,1,1,0,0,0|2,0,0]=4 267 B17R2.74423 FCCNC(=S)Nc1cccc2c1COC2 2e0c730376c00cd29b6b479413b3cf3c [0,1,1,0,0,0|2,0,0]=4 268 B17R2.74423 FCCNC(=S)Nc1cccc2c1OCC2 f71b5c4b4cf7c0a444a95fe4c2395167 [0,1,1,0,0,0|2,0,0]=4 269 B17R2.74423 N#CCNC(=S)Nc1cccc2c1CCC2 16993f976f58e1dde4c3629b6acdee9f [0,1,1,0,0,0|0,0,2]=4 270 B17R2.74423 NCCNC(=O)Nc1cccc2c1OCC2 3df74d54c48ab5f934739cac3c4354c8 [0,1,1,0,0,0|1,0,1]=4 271 B17R2.74423 NCCNC(=S)Nc1cccc2c1CCC2 ae8a22ad0458e254a65e9ca4e4b7ce93 [0,1,1,0,0,0|0,0,1]=3 272 B17R2.74423 NCCNC(=S)Nc1cccc2c1CCO2 e52807d5f3a59dfdbb7e0926092b2493 [0,1,1,0,0,0|1,0,1]=4 273 B17R2.74423 NCCNC(=S)Nc1cccc2c1COC2 c1c1514bf21a318def4fcde35ead9394 [0,1,1,0,0,0|1,0,1]=4 274 B17R2.74423 NCCNC(=S)Nc1cccc2c1OCC2 c5f38c3ebdecf7dadf147bb7f2434de6 [0,1,1,0,0,0|1,0,1]=4 275 B17R2.74423 O=C(CCCF)Nc1cccc2c1CCC2 9a354b5ab76edf8ae153371992eb2466 [0,1,1,0,0,0|2,0,0]=4 276 B17R2.74423 O=C(CCCS)Nc1cccc2c1CCC2 aa155bfc489620cf11739b3df0dd72ce [0,1,1,0,0,0|2,0,0]=4 277 B17R2.74423 O=C(NCCF)Nc1cccc2c1OCC2 55e17db744763d21da37cf53219d751b [0,1,1,0,0,0|2,0,0]=4 278 B17R2.74423 O=C(NCCO)Nc1cccc2c1OCC2 d09efaf82d3dd68cb84fcdee2fd0d903 [0,1,1,0,0,0|2,0,0]=4 279 B17R2.74423 O=C(NCCS)Nc1cccc2c1OCC2 0f1e0b2b0ccad7aecd1ce777d67606c6 [0,1,1,0,0,0|2,0,0]=4 280 B17R2.74423 OCCNC(=S)Nc1cccc2c1CCC2 0f956b0686d6aa02e9b210c6130a8fe9 [0,1,1,0,0,0|1,0,0]=3 281 B17R2.74423 OCCNC(=S)Nc1cccc2c1CCO2 2da0f0a09eec8eb295bd49d1fbebeca4 [0,1,1,0,0,0|2,0,0]=4 282 B17R2.74423 OCCNC(=S)Nc1cccc2c1COC2 71c07ade4d21dbbf84bfb2fa5cd2b7e7 [0,1,1,0,0,0|2,0,0]=4 283 B17R2.74423 OCCNC(=S)Nc1cccc2c1OCC2 ba378d1b1c77269486104d62732a2fb4 [0,1,1,0,0,0|2,0,0]=4 284 B17R2.74423 S=C(NCCS)Nc1cccc2c1CCC2 db957af4fe1928ebf8a6343de6079353 [0,1,1,0,0,0|1,0,0]=3 285 B17R2.74423 S=C(NCCS)Nc1cccc2c1CCO2 1af19d4ce94e1944508045025e3bbd5f [0,1,1,0,0,0|2,0,0]=4 286 B17R2.74423 S=C(NCCS)Nc1cccc2c1COC2 7e58fda8936a525bac6ce92c6bf0f710 [0,1,1,0,0,0|2,0,0]=4 287 B17R2.74423 S=C(NCCS)Nc1cccc2c1OCC2 4617d3c84ef8514eb15a9db4c2b0f401 [0,1,1,0,0,0|2,0,0]=4 288 B17R2.6888 C=C(CC)C(=O)Nc1cccc2c1CCC2 c8c04a1f2a50642b7fd723b723a90520 [0,1,1,0,0,0|2,0,0]=4 289 B17R2.6888 CCC(=O)C(=O)Nc1cccc2c1CCC2 bbd7af03752445514941f9495cee0f71 [0,1,1,0,0,0|2,0,0]=4 290 B17R2.6888 CCC(O)C(=O)Nc1cccc2c1CCC2 04ae39a093161d638b81e70b4a235b37 [0,1,1,0,0,0|2,0,0]=4 291 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1CCC2 fb5bed75d0bc62ee1fd0316d0b7c3a22 [0,1,1,0,0,0|1,0,0]=3 292 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1CCO2 4c45cf63d45e87ad0003d8aeedd5a0b8 [0,1,1,0,0,0|2,0,0]=4 293 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1COC2 1e0ec12f6dd8497ef494424800589e5e [0,1,1,0,0,0|2,0,0]=4 294 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1OCC2 d87e260ce0bf6fa3009bbd509e64abc5 [0,1,1,0,0,0|2,0,0]=4 295 B17R2.6888 CCN(C)C(=S)Nc1cccc2c1CCC2 e8f4b8668ebe1e4081c76fe0c32f77ec [0,1,1,0,0,0|1,0,0]=3 296 B17R2.6888 CCN(C)C(=S)Nc1cccc2c1CCO2 3032c93fad38fe38057852948fcfdf2d [0,1,1,0,0,0|2,0,0]=4 297 B17R2.6888 CCN(C)C(=S)Nc1cccc2c1COC2 134b49eb1837e835abd9ec6c9ba890c1 [0,1,1,0,0,0|2,0,0]=4 298 B17R2.6888 CCN(C)C(=S)Nc1cccc2c1OCC2 7452c3aa9dc8d20bee71f9eb21e0d4de [0,1,1,0,0,0|2,0,0]=4 299 B17R2.6888 CC[C@@H](O)C(=O)Nc1cccc2c1CCC2 c2a0881545964f524f66b307b1b1a19b [0,1,1,0,0,0|2,0,0]=4 300 B17R2.6888 CC[C@H](O)C(=O)Nc1cccc2c1CCC2 5be9dd3a7e01dfa3bc21bda7dab1dca9 [0,1,1,0,0,0|2,0,0]=4 301 B17R2.6888 CC[C@H](S)C(=O)Nc1cccc2c1CCC2 2175d53a99d659388dc8dd2a55cd8e9d [0,1,1,0,0,0|2,0,0]=4 302 B17R2.49546 CCCC(=O)Nc1cccc2c1CC(C2)O e3f07289ef825fdce4928a8b436135f6 [0,1,1,0,0,0|2,0,0]=4 303 B17R2.75117 CCCC(=O)Nc1ccc(c2c1CCC2)F 5d47495ab11f7cf0d2c9b801c0238ea2 [0,1,1,0,0,0|2,0,0]=4 304 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)C 34283a2c57fe31eed77e9545cdf29077 [0,1,1,0,0,0|2,0,0]=4 305 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 cf529038ef6c47ab94fbf5bd0c7eacbf [0,1,1,0,0,0|2,0,0]=4 306 B17R2.147063 CC(O)CC(=O)Nc1cccc2c1CCC2 9d3eb9ef9d5bdc8c2f044d9b1190cd05 [0,1,1,0,0,0|2,0,0]=4 307 B17R2.147063 C[C@@H](O)CC(=O)Nc1cccc2c1CCC2 62e46f30fbb8511fcc5cab07501e7d52 [0,1,1,0,0,0|2,0,0]=4 308 B17R2.147063 C[C@H](O)CC(=O)Nc1cccc2c1CCC2 57a046836f38397d22249434eca5ba89 [0,1,1,0,0,0|2,0,0]=4 309 B17R3.5234 OC1Cc2cccc(c2C1)NC3CCC3 baa78b2407c01cfa413c2a75ed2249e8 [0,1,0,0,1,0|1,0,1]=4 310 B17R3.31705 Cc1ccc2c(c1NC3CCC3)CCC2 0a53dedf377b3d3e46550a18c2b3120d [0,1,0,0,1,0|1,0,1]=4 311 B17R3.3 ClC1CCc2c1cccc2c3ncc[nH]3 0b1f01990c74cdc3a987348b614f1549 [0,1,0,0,1,0|0,0,2]=4 312 B17R3.3 NC1CCc2c1cccc2c3ncc[nH]3 3a5402078b3188d69a1e3662dd322e68 [0,1,0,0,1,0|0,0,2]=4 313 B17R3.3 N[C@@H]1CCc2c1cccc2c3ncc[nH]3 50bc93fddea50bd978359f73f21736a6 [0,1,0,0,1,0|0,0,2]=4 314 B17R3.3 N[C@H]1CCc2c1cccc2c3ncc[nH]3 3784701e472c8f9d555a321d22fdf01c [0,1,0,0,1,0|0,0,2]=4 315 B17R3.3 OC1CCc2c1cccc2c3ncc[nH]3 c81a42dd27968d7d58ffc2a1f339283a [0,1,0,0,1,0|0,0,2]=4 316 B17R3.3 O[C@H]1CCc2c1cccc2c3ncc[nH]3 907e7e9d918ed803f9ece7b23e497160 [0,1,0,0,1,0|0,0,2]=4 317 B17R3.104 Fc1cc2c(c(c1)c3ncc[nH]3)CCC2 aebff3eac8d409fab4d50f8d77be2f92 [0,1,0,0,1,0|0,0,2]=4 318 B17R3.135 FC1Cc2cccc(c2C1)c3ncc[nH]3 05b3ef5a3a4bd54e72e19e82cc32da26 [0,1,0,0,1,0|0,0,2]=4 319 B17R3.135 NC1Cc2cccc(c2C1)c3ncc[nH]3 99773c2c59a636929cbb33a5153413c8 [0,1,0,0,1,0|0,0,2]=4 320 B17R3.135 OC1Cc2cccc(c2C1)c3ncc[nH]3 8898e096cbcc9ef32abe415540cef87d [0,1,0,0,1,0|0,0,2]=4 321 B17R3.2468 Nc1ccc2c(c1c3ncc[nH]3)CCC2 f6d5848730590353921f12b358b677d0 [0,1,0,0,1,0|0,0,2]=4 322 B17R3.2637 Cn1ccnc1c2cccc3c2CCC3 4a8dd8c956a5dfe6ac57a09f2e3c9f5c [0,1,0,0,1,0|0,0,2]=4 323 B17R3.2637 Cn1cnnc1c2cccc3c2CCC3 c6004a2b56e8eb186930739a248434d0 [0,1,0,0,1,0|1,0,1]=4 324 B17R3.2637 Cn1ncnc1c2cccc3c2CCC3 04e70f5bf4d705c33c38795ef4ba510e [0,1,0,0,1,0|1,0,1]=4 325 B17R3.2637 Cn1nnnc1c2cccc3c2CCC3 c5dca4b199b0a0763d9383b93de692ca [0,1,0,0,1,0|2,0,0]=4 326 B17R3.4837 Fc1ccc(c2c1CCC2)c3ncc[nH]3 39e5ebe6b0d1feeb2a2b18c1b4eed6bc [0,1,0,0,1,0|0,0,2]=4 327 B17R3.4837 Nc1ccc(c2c1CCC2)c3ncc[nH]3 deda165dedafbce845a20112f0ae0427 [0,1,0,0,1,0|0,0,2]=4 328 B17R3.4837 Oc1ccc(c2c1CCC2)c3ncc[nH]3 be0c9d2338acb956143fef70459fe11f [0,1,0,0,1,0|0,0,2]=4 329 B17R3.17527 Cc1cnc([nH]1)c2cccc3c2CCC3 332bc3f1dfcef387ca7e9be06b41d0b8 [0,1,0,0,1,0|0,0,2]=4 330 B17R3.17527 Nc1n[nH]c(n1)c2cccc3c2CCC3 11a1d7f2a888037ab0c68739797e14db [0,1,0,0,1,0|1,0,1]=4 331 B17R3.30068 NC1CCc2c1c(ccc2)c3ncc[nH]3 d47a6ada2e1e6c625593a0a55584c272 [0,1,0,0,1,0|0,0,2]=4 332 B17R3.30068 OC1CCc2c1c(ccc2)c3ncc[nH]3 5b53c82be74d00eb92ed001455153e68 [0,1,0,0,1,0|0,0,2]=4 333 B19R3.83 Cc1cnc([nH]1)Nc2cccc3c2OCCC3 e5f4065af4b1c242b39468d70d633c04 [0,1,0,0,0,1|0,0,2]=4 334 B19R3.83 Cc1n[nH]c(n1)Nc2cccc3c2CCCC3 717fde2b594c00b9787d5d3817f87c93 [0,1,0,0,0,1|1,0,1]=4 335 B19R3.83 Cc1n[nH]c(n1)Nc2cccc3c2OCCC3 ee2eb81b8743714f98165b9a218b3ec0 [0,1,0,0,0,1|1,0,1]=4 336 B19R3.83 O=c1[nH]nc([nH]1)Nc2cccc3c2CCCC3 e1ff6bc1551896b95ff5b2abb3458ebf [0,1,0,0,0,1|1,0,1]=4 337 B19R3.83 O=c1[nH]nc([nH]1)Nc2cccc3c2COCC3 8c3f67491308ea0c5b093655829d7c08 [0,1,0,0,0,1|1,0,1]=4 338 B19R3.83 O=c1[nH]nc([nH]1)Nc2cccc3c2OCCC3 bb976c25fd81ce50b812daf282038f78 [0,1,0,0,0,1|1,0,1]=4 339 B19R3.163 Cn1ccnc1Nc2cccc3c2COCC3 455c84ec923199a72a75aa93d0123aa5 [0,1,0,0,0,1|0,0,2]=4 340 B19R3.163 Cn1ccnc1Nc2cccc3c2OCCC3 4001025bad83e7d1ae0a813aa89577a7 [0,1,0,0,0,1|0,0,2]=4 341 B19R3.163 Cn1cnnc1Nc2cccc3c2CCCC3 f86f44af366c1a4b06c17d95098043e9 [0,1,0,0,0,1|1,0,1]=4 342 B19R3.163 Cn1cnnc1Nc2cccc3c2CCCO3 2758735b8db67e909ba9656b3f1e2ffd [0,1,0,0,0,1|1,0,1]=4 343 B19R3.163 Cn1cnnc1Nc2cccc3c2CCNC3 a4beb1669576d4844e7e1daa2d437b5e [0,1,0,0,0,1|1,0,1]=4 344 B19R3.163 Cn1cnnc1Nc2cccc3c2CNCC3 770bc649acb874e0fb0b55028a8ff105 [0,1,0,0,0,1|1,0,1]=4 345 B19R3.163 Cn1cnnc1Nc2cccc3c2COCC3 466a07ad725c41427572bed522e3fa80 [0,1,0,0,0,1|1,0,1]=4 346 B19R3.163 Cn1cnnc1Nc2cccc3c2OCCC3 b4cd9434aecdb41588384ce6dfebdc7c [0,1,0,0,0,1|1,0,1]=4 347 B19R3.8748 Fc1cc2c(c(c1)Nc3ncc[nH]3)OCCC2 9724c63da21d3de7a87b3441e1153b23 [0,1,0,0,0,1|0,0,2]=4 348 B19R3.3952 CN1CCC[C@@H](C1)Nc2cccc3c2CCC3 aa8fcdd20d54470c11e56c6ac7c132ae [0,1,0,0,0,1|1,0,1]=4 349 B19R3.3952 CN1CCC[C@H](C1)Nc2cccc3c2CCC3 1bc13bbe338d2b4ef410fecd2292c93c [0,1,0,0,0,1|1,0,1]=4 350 B19R3.3952 O=c1ccnc([nH]1)Nc2cccc3c2CCC3 bd95d19ce730dd70909a8c5c50a5f3c3 [0,1,0,0,0,1|0,0,2]=4 351 B19R3.5502 O=C1NCCCC1Nc2cccc3c2CCC3 c1cd97f9346c161a20f0e8069fe3e613 [0,1,0,0,0,1|1,0,1]=4 352 B19R3.11 OC1CCc2c1cccc2NCc3ncc[nH]3 beac444ab2b0a6d7d7c86367b3d666a1 [0,1,0,0,0,1|0,0,2]=4 353 B19R3.11 OC1CCc2c1cccc2NCc3ncn[nH]3 eb72050ca90410a67e65b85a5b084e53 [0,1,0,0,0,1|1,0,1]=4 354 B19R3.11 OC1CCc2c1cccc2NCc3nnn[nH]3 9b69cc700455dbdda3b25f5e121f0504 [0,1,0,0,0,1|2,0,0]=4 355 B19R3.11 O[C@H]1CCc2c1cccc2NCc3ncc[nH]3 2528caea9abc3ba290f0ce54d017480a [0,1,0,0,0,1|0,0,2]=4 356 B19R3.11 O[C@H]1CCc2c1cccc2NCc3ncn[nH]3 dfc9b2049c29156f76cf30335b584a06 [0,1,0,0,0,1|1,0,1]=4 357 B19R3.11 O[C@H]1CCc2c1cccc2NCc3nnn[nH]3 cba138ee6e252f4678e651a703663b5f [0,1,0,0,0,1|2,0,0]=4 358 B19R3.5843 Brc1ccc2c(c1NCC3=CCCC3)CCC2 8b017a09764ecbd43615ded5ef85de2c [0,1,0,0,0,1|2,0,0]=4 359 B19R3.5843 Brc1ccc2c(c1NCc3ncc[nH]3)CCC2 dc19c0fe2af550c3ed8a5d7869fd396d [0,1,0,0,0,1|0,0,2]=4 360 B19R3.5843 Cc1ccc2c(c1NCC3=CCCC3)CCC2 d49c640c44e49cb1b99f1c596174e3f7 [0,1,0,0,0,1|2,0,0]=4 361 B19R3.5843 Cc1ccc2c(c1NCc3ncc[nH]3)CCC2 ef19b6c0508dc1d9cbd15ca120a2db95 [0,1,0,0,0,1|0,0,2]=4 362 B19R3.5843 Cc1ccc2c(c1NCc3nnn[nH]3)CCC2 15d91626ca7c54c65a1c4c0cbf363c9b [0,1,0,0,0,1|2,0,0]=4 363 B19R3.8617 Cc1cc2c(c(c1)NCC3=CCCC3)CCC2 b2be574ab402b6ece11dadc95b748cc6 [0,1,0,0,0,1|2,0,0]=4 364 B19R3.8617 Cc1cc2c(c(c1)NCc3ncc[nH]3)CCC2 408282391e58a1a8263ad654b7d3d3fa [0,1,0,0,0,1|0,0,2]=4 365 B19R3.8617 Cc1cc2c(c(c1)NCc3nnn[nH]3)CCC2 fb2470e36fb884978f10c2b97f520ae8 [0,1,0,0,0,1|2,0,0]=4 366 B19R3.8617 Fc1cc2c(c(c1)NCc3ncc[nH]3)CCC2 aaf9f457c4b1fc5b9df72e91f2999ab3 [0,1,0,0,0,1|0,0,2]=4 367 B19R3.8617 Fc1cc2c(c(c1)NCc3ncn[nH]3)CCC2 d07c7c40437525b6ba2186e665149803 [0,1,0,0,0,1|1,0,1]=4 368 B19R3.8793 Cn1ccnc1CNc2cccc3c2CCC3 c42c5c8137887a6e3f2a5dfffdb454d2 [0,1,0,0,0,1|0,0,2]=4 369 B19R3.8793 Cn1cnnc1CNc2cccc3c2CCC3 046bd7f6a01608e92270eb9e8c562cfa [0,1,0,0,0,1|1,0,1]=4 370 B19R3.8793 Cn1ncnc1CNc2cccc3c2CCC3 ee831143334b218c4feffb72a4190044 [0,1,0,0,0,1|1,0,1]=4 371 B19R3.9758 FC1Cc2cccc(c2C1)NCc3ncc[nH]3 6a6f69d10df2288c97cf36e056112709 [0,1,0,0,0,1|0,0,2]=4 372 B19R3.9758 FC1Cc2cccc(c2C1)NCc3ncn[nH]3 25b7e87babb37cf08090b829d51be8fc [0,1,0,0,0,1|1,0,1]=4 373 B19R3.9758 FC1Cc2cccc(c2C1)NCc3nnn[nH]3 19216b76641fb4cc4d49e4a6b804ac5a [0,1,0,0,0,1|2,0,0]=4 374 B19R3.9758 OC1Cc2cccc(c2C1)NCC3=CCCC3 f3ae5004455c742a423d57a931347dd0 [0,1,0,0,0,1|2,0,0]=4 375 B19R3.9758 OC1Cc2cccc(c2C1)NCc3ncc[nH]3 21f856aa5407794402e04338595b8ac9 [0,1,0,0,0,1|0,0,2]=4 376 B19R3.9758 OC1Cc2cccc(c2C1)NCc3ncn[nH]3 10bee5bd27d92f39e2b8ea469b767bc6 [0,1,0,0,0,1|1,0,1]=4 377 B19R3.9758 OC1Cc2cccc(c2C1)NCc3nnn[nH]3 827568bc4f87c447c3672d1004d456df [0,1,0,0,0,1|2,0,0]=4 378 B19R3.167525 Brc1ccc(c2c1CCC2)NCC3=CCCC3 849995db9d9b242f42d98f829b908be7 [0,1,0,0,0,1|2,0,0]=4 379 B19R3.167525 Brc1ccc(c2c1CCC2)NCc3ncc[nH]3 f7ad63d43f2f2189c26f31ac903b875c [0,1,0,0,0,1|0,0,2]=4 380 B19R3.167525 Brc1ccc(c2c1CCC2)NCc3nnn[nH]3 8b1e1338bd1623c78bd27093a091a054 [0,1,0,0,0,1|2,0,0]=4 381 B19R3.167525 Fc1ccc(c2c1CCC2)NCC3=CCCC3 02010520a65384e20cc1218640b0ccda [0,1,0,0,0,1|2,0,0]=4 382 B19R3.167525 Fc1ccc(c2c1CCC2)NCc3ncc[nH]3 c5f17c37286553b18fba6cddb6b1e385 [0,1,0,0,0,1|0,0,2]=4 383 B19R3.167525 Fc1ccc(c2c1CCC2)NCc3nnn[nH]3 a025eb53605dd65ccee36a95ac8e9a79 [0,1,0,0,0,1|2,0,0]=4 384 B19R3.167525 Oc1ccc(c2c1CCC2)NCc3ncc[nH]3 6a6da98f243402dafdde237837c040cd [0,1,0,0,0,1|0,0,2]=4 385 B19R3.167525 Oc1ccc(c2c1CCC2)NCc3ncn[nH]3 218e664f2188c5e80a1b5296699461e1 [0,1,0,0,0,1|1,0,1]=4 386 B19R3.202519 O=C(Nc1cccc2c1CCC2)C3=CCCC3 1a682b3dd7418d320fb7761bb257d629 [0,1,0,0,0,1|2,0,0]=4 387 B19R3.202639 CN(Cc1ncc[nH]1)c2cccc3c2CCC3 424c1a4e3bb765823f8b05c1c064b3f4 [0,1,0,0,0,1|0,0,2]=4 388 B19R3.51796 O=c1[nH]nc([nH]1)Nc2cccc3c2CCC3O 8dc198ed9528ecb8d4862326ebb07179 [0,2,0,0,0,0|1,0,1]=4 389 B19R3.74590 Cn1cnnc1Nc2cccc3c2CCC3O 9a55a121585427df99006432738b67b2 [0,2,0,0,0,0|1,0,1]=4 390 B19R3.74590 Cn1cnnc1Nc2cccc3c2CC[C@@H]3O d39915e6f86f6f8f3d21c039f57f08af [0,2,0,0,0,0|1,0,1]=4 391 B19R3.2582 N#Cc1n[nH]c(n1)Nc2cccc3c2CCC3 cd4c1459816b62e9067af8bb768d518f [0,2,0,0,0,0|1,0,1]=4 392 B19R3.2582 O=Cc1cnc([nH]1)Nc2cccc3c2CCC3 516f5343192205f0294eae9f085f929a [0,2,0,0,0,0|0,0,2]=4 393 B19R3.2582 OCc1n[nH]c(n1)Nc2cccc3c2CCC3 8ae1d97cdc8cd9e764f848f98425ddad [0,2,0,0,0,0|1,0,1]=4 394 B19R3.3798 Cc1n[nH]c(n1)Nc2cccc3c2CC(C3)O 8b69df08484c7a4a7f84a2b5a35f1fe5 [0,2,0,0,0,0|1,0,1]=4 395 B19R3.3798 O=c1[nH]nc([nH]1)Nc2cccc3c2CC(C3)F fb45735aa0ce4f5238c5eee94195bedb [0,2,0,0,0,0|1,0,1]=4 396 B19R3.3798 O=c1[nH]nc([nH]1)Nc2cccc3c2CC(C3)O 25ecf3092a56dd1df539f73ce9c316eb [0,2,0,0,0,0|1,0,1]=4 397 B19R3.2129772 O=c1[nH]nc([nH]1)Nc2cc(cc3c2CCC3)F d3d161bdf93b084cf106b31aa2c4c86c [0,2,0,0,0,0|1,0,1]=4 398 B19R3.6545590 O=c1[nH]nc([nH]1)Nc2ccc(c3c2CCC3)F 4ce25db23164dcea70e563f95b8648f0 [0,2,0,0,0,0|1,0,1]=4 399 B19R3.5313 Cn1ccnc1Nc2cccc3c2CC(C3)O 85efd713a8a79cabe0b1a4fc70ce6095 [0,2,0,0,0,0|0,0,2]=4 400 B19R3.5313 Cn1cnnc1Nc2cccc3c2CC(C3)F f9202032a549ee7dfea1f62d681b2f34 [0,2,0,0,0,0|1,0,1]=4 401 B19R3.5313 Cn1cnnc1Nc2cccc3c2CC(C3)O 5d150461a5e40692797d29d19389b4d7 [0,2,0,0,0,0|1,0,1]=4 402 B19R3.328112 Cc1ccc2c(c1Nc3nccn3C)CCC2 a9a3bbfdcc55131b3defa4cf51e0d68a [0,2,0,0,0,0|0,0,2]=4 403 B19R3.328363 Cn1cnnc1Nc2cc(cc3c2CCC3)F fd0b1e3405ddd2d1b7feaa92d4f73958 [0,2,0,0,0,0|1,0,1]=4 404 B19R3.328721 Cn1ccnc1Nc2ccc(c3c2CCC3)F bf29316bb6106b1eec6e54a60160e96b [0,2,0,0,0,0|0,0,2]=4 405 B19R3.328721 Cn1cnnc1Nc2ccc(c3c2CCC3)F 1f1bde4f0571bb66771a044fe0d32da6 [0,2,0,0,0,0|1,0,1]=4 406 B15R1.9453 CCCC(=O)Nc1cccc(c1)CCC 5ee43901d4e1f758867be18157935f15 [0,0,2,0,0,0|2,0,0]=4 407 B15R1.3880 CCCC(=O)Nc1ccccc1CCC a96587a21bee4ccb995f0d2ae81f5eab [0,0,2,0,0,0|2,0,0]=4 408 B15R1.3880 CCNC(=S)Nc1ccccc1NCC c1027d1aefc2871a3f3c4be168be5b7b [0,0,2,0,0,0|2,0,0]=4 409 B15R1.2546 CCCC(=O)Nc1cccc(c1CC)C abf9264c07efeae27c54cf90681543ae [0,0,2,0,0,0|2,0,0]=4 410 B17R3.21024 c1cc(cc(c1)C2CC2)Nc3ncc[nH]3 34bdc3bb831b410139d6aa8023cc1f35 [0,0,1,1,0,0|0,0,2]=4 411 B15R2.68 CCCc1cccc(c1)c2ncc[nH]2 7a5a5e4248160465647002be0cc24259 [0,0,1,0,1,0|0,0,2]=4 412 B15R2.19 CCc1cccc(c1C)c2ncc[nH]2 2689dcf547b675e0d566dffa0dbc86dd [0,0,1,0,1,0|0,0,2]=4 413 B15R2.43 CCCc1ccccc1c2ncc[nH]2 2423ce9d16e87ca6e5d5ffcb874b1bec [0,0,1,0,1,0|0,0,2]=4 414 B15R2.16721 CCCc1ccccc1NC2CCC2 d08b663f65d19c6bc219c6583cafda19 [0,0,1,0,1,0|1,0,1]=4 415 B15R2.17340 CCN[C@H](C)c1cccc2c1CCC2 fedc667e5c99ed8d228b88f9cba4c9b3 [0,0,1,0,1,0|1,0,1]=4 416 B15R3.4382 c1cc2c(c(c1)NC3CC3)OCC2 1fa65bc07851833361df1bd82957dcf1 [0,0,0,0,2,0|1,0,1]=4 417 B17R2.5846 CCCc1cccc(c1)NCc2ncc[nH]2 0924b864a2868901d9b1bf6234e01308 [0,0,1,0,0,1|0,0,2]=4 418 B17R2.5846 CCCc1cccc(c1)NCc2ncn[nH]2 d44950ade8ec107bac2d638121d391cb [0,0,1,0,0,1|1,0,1]=4 419 B17R2.5846 CCCc1cccc(c1)NCc2nnn[nH]2 6e839a9ab68482252e2783e9c21f5c2c [0,0,1,0,0,1|2,0,0]=4 420 B17R2.2681 CCc1cccc(c1C)NCc2ncc[nH]2 4dbb30869afd9ccdc504c3554dea9d40 [0,0,1,0,0,1|0,0,2]=4 421 B17R2.2681 CCc1cccc(c1C)NCc2ncn[nH]2 26afe9364da6efb6478493f025dab342 [0,0,1,0,0,1|1,0,1]=4 422 B17R2.2681 CCc1cccc(c1C)NCc2nnn[nH]2 3f5265d69002e969001983e19a41c1f1 [0,0,1,0,0,1|2,0,0]=4 423 B17R2.4343 CCCc1ccccc1NCC2=CCCC2 ce1a55bd91d84e9a8cc4fdecd65621ee [0,0,1,0,0,1|2,0,0]=4 424 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 75da79d3280d42ea9b4916bedb2ba0bc [0,0,1,0,0,1|0,0,2]=4 425 B17R2.4343 CCCc1ccccc1NCc2ncn[nH]2 00038819c2654c60ff19cf61ffdf05c3 [0,0,1,0,0,1|1,0,1]=4 426 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 da5350ba235685cbb490032dfdb9ecaf [0,0,1,0,0,1|2,0,0]=4 427 B17R2.16287 CCc1c(cccc1NCC2=CCCC2)C 8e9b3c0a56f167b768ea47a6def9a470 [0,0,1,0,0,1|2,0,0]=4 428 B17R2.16287 CCc1c(cccc1NCc2ncc[nH]2)C dc4ca1847ffc4ab9eb25442d541ebb45 [0,0,1,0,0,1|0,0,2]=4 429 B17R2.16287 CCc1c(cccc1NCc2nnn[nH]2)C ff18de3444a138e3d4b37669ca02ae6c [0,0,1,0,0,1|2,0,0]=4 430 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 80c1ca07534e3a238edbbeaeb17ba8d2 [0,0,1,0,0,1|2,0,0]=4 431 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCO2 d90779793ea39e3222f43b993b2bcb63 [0,0,1,0,0,1|2,0,0]=4 432 B17R2.322318 CCCC(=O)Nc1cccc2c1COCC2 3d9052cde79e7020948a786480f85f94 [0,0,1,0,0,1|2,0,0]=4 433 B17R2.322318 CCCC(=O)Nc1cccc2c1OCCC2 7b37f14faba96b6ce456855314b86496 [0,0,1,0,0,1|2,0,0]=4 434 B17R3.1968 c1cc2c(c(c1)NC3CCC3)COCC2 48af4e68f28c154b5f7a94a52e072b7f [0,0,0,0,1,1|1,0,1]=4 435 B17R3.1968 c1cc2c(c(c1)NC3CCC3)OCCC2 ebde84551402c6919afea537d6d07fa6 [0,0,0,0,1,1|1,0,1]=4 436 B19R3.4444 C1=C(CCC1)CNc2cccc3c2CCCC3 9427c8cecf901af1bb1f74ee3c647f45 [0,0,0,0,0,2|2,0,0]=4 437 B19R3.4444 C1=C(CCC1)CNc2cccc3c2CCCO3 d21b74da6f7ed27283a4b58ad08de757 [0,0,0,0,0,2|2,0,0]=4 438 B19R3.4444 C1=C(CCC1)CNc2cccc3c2COCC3 5f9b9d651bafc5094aa55ab6cfbd3614 [0,0,0,0,0,2|2,0,0]=4 439 B19R3.4444 C1=C(CCC1)CNc2cccc3c2OCCC3 8cecb1b7723f58bfbb4b2fd35e9c49e0 [0,0,0,0,0,2|2,0,0]=4 440 B19R3.4444 c1cc(c2c(c1)OCCC2)NCc3ncc[nH]3 c436e706331f29dfd3bfef831427032c [0,0,0,0,0,2|0,0,2]=4 441 B19R3.4444 c1cc(c2c(c1)OCCC2)NCc3nnn[nH]3 34b3cb2d985f0976de3c778db4397dee [0,0,0,0,0,2|2,0,0]=4 442 B19R3.4444 c1cc2c(c(c1)CNc3ncc[nH]3)CCCC2 764ee7402d327f32bbf23817c7fdb021 [0,0,0,0,0,2|0,0,2]=4 443 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCCC2 438a8d87203547bfd5755a32576d794e [0,0,0,0,0,2|0,0,2]=4 444 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCCN2 2b3616a08e0e43d5321fa33ec1b5bfe1 [0,0,0,0,0,2|0,0,2]=4 445 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCNC2 a6ab9f1a300960880da763e801e71d73 [0,0,0,0,0,2|0,0,2]=4 446 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CNCC2 f93a472695874fae516456f0468de15d [0,0,0,0,0,2|0,0,2]=4 447 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)COCC2 2ac9b0377159f54b4ec2f25060c422a4 [0,0,0,0,0,2|0,0,2]=4 448 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)NCCC2 aa8e7e1b07b77a6001014b77220ac376 [0,0,0,0,0,2|0,0,2]=4 449 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)OCCC2 0f3524a445ecd33d46f767f63c6f2295 [0,0,0,0,0,2|0,0,2]=4 450 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)CCCC2 6db8ea36a53650e6a6b2534e004a869e [0,0,0,0,0,2|1,0,1]=4 451 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)CCCN2 0acd50c33a34e1542c1f90bdf7620594 [0,0,0,0,0,2|1,0,1]=4 452 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)CCNC2 35d1fbe6a4d4f047b52f1ab7d4e6b4ca [0,0,0,0,0,2|1,0,1]=4 453 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)CCOC2 7dea64245c0fd6d71190d583a95677bb [0,0,0,0,0,2|1,0,1]=4 454 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)CNCC2 d0c1492c5ab5f788b28434e488486a02 [0,0,0,0,0,2|1,0,1]=4 455 B19R3.4444 c1cc2c(c(c1)NCc3ncn[nH]3)NCCC2 0b1caa9869a0a94605273d6927e5b012 [0,0,0,0,0,2|1,0,1]=4 456 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CCCC2 8038e38f1a5ffafb107c1c30bfd10c02 [0,0,0,0,0,2|2,0,0]=4 457 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CCCN2 5a73a6f339d6b05e1bbd85c403576005 [0,0,0,0,0,2|2,0,0]=4 458 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CCNC2 caffd82a9a245f7532c06fac2f42246b [0,0,0,0,0,2|2,0,0]=4 459 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CCOC2 a72ada848e585bed8b78974b25af3fdf [0,0,0,0,0,2|2,0,0]=4 460 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CNCC2 38dbafac54f3a204752d3c962b5ef8cb [0,0,0,0,0,2|2,0,0]=4 461 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)COCC2 0c42412d91d342d74738a6ba486393d9 [0,0,0,0,0,2|2,0,0]=4 462 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)OCCC2 051ec1eef2e8e85f3202135e95888ad8 [0,0,0,0,0,2|2,0,0]=4 463 B19R3.19245 C1=C(CCCC1)CNc2cccc3c2CCC3 58d326dc0f8cb14cba6323a543b4903c [0,0,0,0,0,2|2,0,0]=4 464 B19R3.19245 C1=C(CCOC1)CNc2cccc3c2CCC3 9d2e33dbc2151c426eb97ac0dcf72812 [0,0,0,0,0,2|2,0,0]=4 465 B19R3.19185 c1cc2c(c(c1)NCCc3ncc[nH]3)CCC2 e47e67677aaf19f7c5c646826cb219c9 [0,0,0,0,0,2|0,0,2]=4 466 B19R3.19185 c1cc2c(c(c1)NCCc3nnn[nH]3)CCC2 7468b4e0d87e60c88c5f0b29399bf7a8 [0,0,0,0,0,2|2,0,0]=4