0 B18R2.3081300 CC(C)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C 8a3bd46af1f2c11bb55d391e27b7516e [0,0,0,0,0,0|4,0,0]=4 1 B18R2.3081300 CC(C)Oc1coc2c1c(=O)n(c(=O)n2C)C 5da32383d13a4820c4e9bbc445977426 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.27515 CCNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 5a27f5a756ce1e2d7b62721ffc682562 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.27515 CCOc1coc2c1c(=O)n(c(=O)n2C)C 409012095e4bd71ca90753e92feaf526 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.27515 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCO b5e69ff0b8c50bb181483f57f0909759 [1,0,0,0,0,0|3,0,0]=4 5 B19R2.1351780 CC(CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C a239282ee1048e7ee843c860c05c2de2 [0,1,0,0,0,0|3,0,0]=4 6 B19R2.1351780 C[C@@H](CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C 8f0bdea3aada752b9fc4ed57d1b0331c [0,1,0,0,0,0|3,0,0]=4 7 B19R2.1351780 C[C@H](CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C c43d12224fa12bc3fd6f0da2ab35f7fe [0,1,0,0,0,0|3,0,0]=4 8 B17R1.4174 CC(O)CCCNc1cc(=O)n(c(=O)n1C)C c446042e360a2ff905c1a087ac4675c4 [0,0,1,0,0,0|1,0,2]=4 9 B17R1.16682 CCN(CC(C)C)c1cn(c(=O)n(c1=O)C)C 774f94df8f5866aa8ab248c3c23c5666 [0,0,1,0,0,0|2,0,1]=4 10 B19R2.11728957 CC(C)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 48fb5ba1b8420a70605b2f6807d013a4 [0,0,0,0,0,1|3,0,0]=4 11 B19R2.11728957 CC(C)COc1coc2c1c(=O)n(c(=O)n2C)C bf9856baa728648183f9eaec51a636ea [0,0,0,0,0,1|3,0,0]=4 12 B19R2.11728957 CC(O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C bfd3474b4c96a1ede0e4d4a5514bdff5 [0,0,0,0,0,1|2,0,0]=3 13 B19R2.11728957 C[C@@H](O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C af2f8fb2410e8d3da9f9b0979d83a643 [0,0,0,0,0,1|2,0,0]=3 14 B19R2.11728957 C[C@H](O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 21659d86619ea518265deb9c99a13c7c [0,0,0,0,0,1|2,0,0]=3 15 B16R1.2310 Cn1cc(c(=O)n(c1=O)C)N(CO)CCO 08f142823e620e41980459e29180b7ab [1,0,1,0,0,0|1,0,1]=4 16 B16R1.3915 CC(C)CN(C)c1cn(c(=O)n(c1=O)C)C c678f0ffa48aa147ff6589b7f5b73913 [1,0,1,0,0,0|1,0,1]=4 17 B16R1.3915 CC(O)CN(C)c1cn(c(=O)n(c1=O)C)C cac5dae233d68bd3a6f13f4d124a71a7 [1,0,1,0,0,0|0,0,1]=3 18 B16R1.3915 C[C@H](O)CN(C)c1cn(c(=O)n(c1=O)C)C 35df7a7ed4b99a6d8cab44a0fce47044 [1,0,1,0,0,0|0,0,1]=3 19 B18R1.4142 CC(C)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C 0c0ffb901ebcec7b5dec1499cf8e7124 [0,1,1,0,0,0|1,0,1]=4 20 B18R1.4142 CC(C)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C 511f3de70266190461da983aa090b1d5 [0,1,1,0,0,0|1,0,1]=4 21 B18R1.4142 CC(O)CCC(=O)Nc1cc(=O)n(c(=O)n1C)C 9a9e7825280ba04980b036e3df146478 [0,1,1,0,0,0|1,0,1]=4 22 B18R1.4142 CC(O)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C 33845f95f89cf4b365f89c57d102bc8b [0,1,1,0,0,0|0,0,1]=3 23 B18R1.4142 CC(O)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C 510678b3b3330c1704d85692a8375841 [0,1,1,0,0,0|0,0,1]=3 24 B18R1.4142 C[C@@H](O)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C b13ad51b76ece46f289b3a221bce4d55 [0,1,1,0,0,0|0,0,1]=3 25 B18R1.4142 C[C@@H](O)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C eda363e3bdbda1b1cd81ba57a862a978 [0,1,1,0,0,0|0,0,1]=3 26 B18R1.4142 C[C@H](O)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C 517eb496d5468c257622897646ae1f73 [0,1,1,0,0,0|0,0,1]=3 27 B18R1.4142 C[C@H](O)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C d8fbc4aefec678b51a459f01ec817e2d [0,1,1,0,0,0|0,0,1]=3 28 B18R1.52465 C=CCN(CC(C)C)c1cn(c(=O)n(c1=O)C)C 7bffc6bc2a55bd03268a8b7de66d0105 [0,1,1,0,0,0|2,0,0]=4 29 B18R1.95367 CCC(O)CN(CC)c1cn(c(=O)n(c1=O)C)C 086663535bdb57ec9cedeb63fe7a2579 [0,1,1,0,0,0|1,0,1]=4 30 B18R1.327961 CCN(CC(C)(C)O)c1cn(c(=O)n(c1=O)C)C a32426d8a48289bda828adb8900f82a7 [0,1,1,0,0,0|1,0,1]=4 31 B18R2.84179 CCCNc1[nH]nc2c1c(=O)n(c(=O)n2C)C a8e31c2ba5e07eba0f2f4f273b0444e4 [1,1,0,0,0,0|2,0,0]=4 32 B18R2.84179 CCCOc1coc2c1c(=O)n(c(=O)n2C)C 69e5bd6412ff91b9fb531dff7bc19be0 [1,1,0,0,0,0|2,0,0]=4 33 B18R2.84179 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCCO 13594c5ed0e6f963c03486715caea9b0 [1,1,0,0,0,0|2,0,0]=4 34 B20R2.1326552 CC(CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C c12d7274099862178e4bf4c729cb7940 [0,1,0,0,0,1|2,0,0]=4 35 B20R2.1326552 CCC(O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 56910d7fe572907df372871e25edf5f6 [0,1,0,0,0,1|2,0,0]=4 36 B20R2.1326552 COC(C)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C a26050de7000581baec91c9d49a6e31a [0,1,0,0,0,1|2,0,0]=4 37 B20R2.1326552 COC(C)COc1coc2c1c(=O)n(c(=O)n2C)C b365730a365dc2cdd3f9d09fc02f3c4f [0,1,0,0,0,1|2,0,0]=4 38 B20R2.1326552 CO[C@@H](C)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 8ec369eaf5a1b232648c03d43811767a [0,1,0,0,0,1|2,0,0]=4 39 B20R2.1326552 CO[C@@H](C)COc1coc2c1c(=O)n(c(=O)n2C)C a80c17ac1b7814aca56ee0b7c9a42a67 [0,1,0,0,0,1|2,0,0]=4 40 B20R2.1326552 CO[C@H](C)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 704bf0351714f3115d461ef5cb1bfb08 [0,1,0,0,0,1|2,0,0]=4 41 B20R2.1326552 CO[C@H](C)COc1coc2c1c(=O)n(c(=O)n2C)C 91169bb5c2eb9cb8f0551d2408159e6d [0,1,0,0,0,1|2,0,0]=4 42 B20R2.1326552 C[C@@H](CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 4880712716e826823ebaf58389905e5d [0,1,0,0,0,1|2,0,0]=4 43 B20R2.1326552 C[C@H](CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 9e93abff872f4bbf38f8a204af197e80 [0,1,0,0,0,1|2,0,0]=4 44 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCC(O)CF d9b6cbd5e0e65a06224f87793a91fa36 [0,1,0,0,0,1|2,0,0]=4 45 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCC(O)CO 126d3be02c75a24057aa87c597b4f575 [0,1,0,0,0,1|2,0,0]=4 46 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC[C@@H](O)CO 08ff9c31947112750cc297cd831ae799 [0,1,0,0,0,1|2,0,0]=4 47 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC[C@H](O)CO e1bef7db3d74893b5a5b83477d56026e [0,1,0,0,0,1|2,0,0]=4 48 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OCC(O)CO 4bc6855a801c7c1db0e873c53ea689e3 [0,1,0,0,0,1|2,0,0]=4 49 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OC[C@@H](O)CO 0303ce4ae658c5e3467311525e115894 [0,1,0,0,0,1|2,0,0]=4 50 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OC[C@H](O)CO aa91e7da84092061fe41aaa9d7c9c707 [0,1,0,0,0,1|2,0,0]=4 51 B20R2.25503726 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCC(C)(C)O f24dd907d4bc651677a82416c1ad7e67 [0,1,0,0,0,1|2,0,0]=4 52 B20R2.25503726 Cn1c(=O)c2c(coc2n(c1=O)C)OCC(C)(C)O 05e478eddea2083f05d4db49a893fee3 [0,1,0,0,0,1|2,0,0]=4 53 B20R2.1073131 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCF 098ffb8123d875bfb770a08c394befc6 [0,2,0,0,0,0|0,0,0]=2 54 B20R2.1073131 CCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C cc7a366e9d4695a598ae0041aa51ef53 [0,2,0,0,0,0|0,0,0]=2 55 B16R1.3917 CC(O)CCNc1cc(=O)n(c(=O)n1C)C 3e748a513d17bda1360d90aef6eb4a22 [0,0,1,0,1,0|0,0,2]=4 56 B18R1.33618 CNC(=O)C(C)NC(=O)c1cncn1CC(C)C 3e249b60bff371ba20c977616b0e7526 [0,0,1,0,0,1|2,0,0]=4 57 B18R1.33660 CNC(=O)CN(C)C(=O)c1cncn1CC(C)C 26a3b8c00d2faf29f41db8e04eb80686 [0,0,1,0,0,1|1,0,0]=3 58 B18R1.33660 COC(=O)CN(C)C(=O)c1cncn1CC(C)C 22fd32bf666b6b7d2b5ee8fb19afad76 [0,0,1,0,0,1|2,0,0]=4 59 B20R2.25503728 CC(C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 49073bb89b54e4f748312090520f9e1a [0,0,0,0,0,2|1,0,0]=3 60 B20R2.25503728 CC(O)CCNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 3fb99b7be68e135e0b631657d5ede29d [0,0,0,0,0,2|2,0,0]=4