0 B19R2.1351780 CC(CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C a239282ee1048e7ee843c860c05c2de2 [0,0,0,0,0,0|4,0,0]=4 1 B19R2.1351780 C[C@@H](CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C 8f0bdea3aada752b9fc4ed57d1b0331c [0,0,0,0,0,0|4,0,0]=4 2 B19R2.1351780 C[C@H](CO)Nc1[nH]nc2c1c(=O)n(c(=O)n2C)C c43d12224fa12bc3fd6f0da2ab35f7fe [0,0,0,0,0,0|4,0,0]=4 3 B18R2.84179 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCCO 13594c5ed0e6f963c03486715caea9b0 [1,0,0,0,0,0|3,0,0]=4 4 B20R2.743624 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC(CO)CO c8305f1b1783eb6432bf28a3f27b81f3 [0,1,0,0,0,0|3,0,0]=4 5 B20R2.743624 Cn1c(=O)c2c(coc2n(c1=O)C)OC(CO)CO 85545ea50ee68255146388be9a18078b [0,1,0,0,0,0|3,0,0]=4 6 B20R2.1073131 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCF 098ffb8123d875bfb770a08c394befc6 [0,1,0,0,0,0|2,0,0]=3 7 B20R2.1073131 CCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C cc7a366e9d4695a598ae0041aa51ef53 [0,1,0,0,0,0|2,0,0]=3 8 B18R1.95367 CCC(O)CN(CC)c1cn(c(=O)n(c1=O)C)C 086663535bdb57ec9cedeb63fe7a2579 [0,0,1,0,0,0|2,0,1]=4 9 B20R2.1326552 CC(CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C c12d7274099862178e4bf4c729cb7940 [0,0,0,0,0,1|3,0,0]=4 10 B20R2.1326552 CCC(O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 56910d7fe572907df372871e25edf5f6 [0,0,0,0,0,1|3,0,0]=4 11 B20R2.1326552 C[C@@H](CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 4880712716e826823ebaf58389905e5d [0,0,0,0,0,1|3,0,0]=4 12 B20R2.1326552 C[C@H](CO)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C 9e93abff872f4bbf38f8a204af197e80 [0,0,0,0,0,1|3,0,0]=4 13 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCC(O)CF d9b6cbd5e0e65a06224f87793a91fa36 [0,0,0,0,0,1|3,0,0]=4 14 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCC(O)CO 126d3be02c75a24057aa87c597b4f575 [0,0,0,0,0,1|2,0,0]=3 15 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC[C@@H](O)CO 08ff9c31947112750cc297cd831ae799 [0,0,0,0,0,1|2,0,0]=3 16 B20R2.1326552 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC[C@H](O)CO e1bef7db3d74893b5a5b83477d56026e [0,0,0,0,0,1|2,0,0]=3 17 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OCC(O)CO 4bc6855a801c7c1db0e873c53ea689e3 [0,0,0,0,0,1|2,0,0]=3 18 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OC[C@@H](O)CO 0303ce4ae658c5e3467311525e115894 [0,0,0,0,0,1|2,0,0]=3 19 B20R2.1326552 Cn1c(=O)c2c(coc2n(c1=O)C)OC[C@H](O)CO aa91e7da84092061fe41aaa9d7c9c707 [0,0,0,0,0,1|2,0,0]=3 20 B17R1.152250 Cc1c(c(=O)n(c(=O)n1C)C)NCC(F)CO dd1e9acb65ba0a0f43c1aa4082117cc9 [1,0,1,0,0,0|1,0,1]=4 21 B17R1.152250 Cc1c(c(=O)n(c(=O)n1C)C)NC[C@@H](F)CO c0774af2fba40d7ac031a6b390a9b79e [1,0,1,0,0,0|1,0,1]=4 22 B17R1.152250 Cc1c(c(=O)n(c(=O)n1C)C)NC[C@H](F)CO 2095e6c8f11e8c64d810661c02037c9f [1,0,1,0,0,0|1,0,1]=4 23 B17R1.20927 CC(CO)CN(C)c1cn(c(=O)n(c1=O)C)C d7ae968f362a2a1ff7c9bddc5e131f4a [1,0,1,0,0,0|1,0,1]=4 24 B17R1.20927 CCC(O)CN(C)c1cn(c(=O)n(c1=O)C)C 6a588ee501bf16cafa5345c972915bd6 [1,0,1,0,0,0|1,0,1]=4 25 B17R1.20927 CN(CC(O)CO)c1cn(c(=O)n(c1=O)C)C 490d974464a3a08e2bb0357b778f548c [1,0,1,0,0,0|0,0,1]=3 26 B19R1.10618 CC(CO)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C 79309cd7c8036d3e67bf5ed39435aece [0,1,1,0,0,0|1,0,1]=4 27 B19R1.10618 CC(CO)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C b8d1c4dfc2ba6182ba41d531e950efc6 [0,1,1,0,0,0|1,0,1]=4 28 B19R1.10618 CCC(O)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C b9f88788b83de0af68609eb642b89a70 [0,1,1,0,0,0|1,0,1]=4 29 B19R1.10618 CCC(O)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C 8e57af57f8535a80ee4c467f9b215440 [0,1,1,0,0,0|1,0,1]=4 30 B19R1.10618 CC[C@@H](O)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C cae53f1aa6a9dff227b3c1a06872e32c [0,1,1,0,0,0|1,0,1]=4 31 B19R1.10618 CC[C@@H](O)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C 041f5369968fc9502d28c3126f6b928c [0,1,1,0,0,0|1,0,1]=4 32 B19R1.10618 C[C@H](CO)CNC(=O)Nc1cc(=O)n(c(=O)n1C)C 29c267a59a4bf7ea95609f1ec9a06113 [0,1,1,0,0,0|1,0,1]=4 33 B19R1.10618 C[C@H](CO)CNC(=S)Nc1cc(=O)n(c(=O)n1C)C 896d4599e9928121d6d01128ffed832d [0,1,1,0,0,0|1,0,1]=4 34 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NCC(F)CO 4a84bed9d196ca1bbada24023cd41c52 [0,1,1,0,0,0|1,0,1]=4 35 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NCC(O)CN a499e8be3fe27968c57e299984704d07 [0,1,1,0,0,0|1,0,1]=4 36 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NCC(O)CO 9e5b08cf551de66556919bcd5a89a965 [0,1,1,0,0,0|0,0,1]=3 37 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NC[C@@H](F)CO 0e43b9395146c2547b6a292d42d341f6 [0,1,1,0,0,0|1,0,1]=4 38 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NC[C@@H](O)CO a3d3a1406ff10142c4f8e68eef4edbb2 [0,1,1,0,0,0|0,0,1]=3 39 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NC[C@H](F)CO 8711bde4acc31bff9dec1c0f8828ad93 [0,1,1,0,0,0|1,0,1]=4 40 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=O)NC[C@H](O)CO 3af357f8a583107d8dbbc0af29b987eb [0,1,1,0,0,0|0,0,1]=3 41 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NCC(F)CO f3dcd81e6031512d8e45e5d411ce23d1 [0,1,1,0,0,0|1,0,1]=4 42 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NCC(O)CN 76b23c3c03dae9145c69072309f64b50 [0,1,1,0,0,0|1,0,1]=4 43 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NCC(O)CO c618906bac15e54b47563a8c66fd9c11 [0,1,1,0,0,0|0,0,1]=3 44 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NC[C@@H](F)CO 0671d79ba4b39030b1b92107a3683ea7 [0,1,1,0,0,0|1,0,1]=4 45 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NC[C@@H](O)CO 0cd689baa39c102e3cc2cf7e02eb0352 [0,1,1,0,0,0|0,0,1]=3 46 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NC[C@H](F)CO ec8c56f7f0b7d3dbfd9d26e0c28c03a2 [0,1,1,0,0,0|1,0,1]=4 47 B19R1.10618 Cn1c(cc(=O)n(c1=O)C)NC(=S)NC[C@H](O)CO ecc53fce005683cb1df84879c995c095 [0,1,1,0,0,0|0,0,1]=3 48 B19R1.327005 CCCN(CC(O)CO)c1cn(c(=O)n(c1=O)C)C 1f0442f1cfbc82d2ca8fda16b6edb19e [0,1,1,0,0,0|1,0,1]=4 49 B19R2.1046181 CCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 0d758f868eb4cc0016cbce535589ccc5 [1,1,0,0,0,0|1,0,0]=3 50 B19R2.1046181 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NCCCO 1bf7000af394ab0182c1308dd59826d8 [1,1,0,0,0,0|2,0,0]=4 51 B19R2.1046181 Cn1c(=O)c2c(ncn2CCOCF)n(c1=O)C 3524bf2240fbe26841fc15b50e103240 [1,1,0,0,0,0|1,0,0]=3 52 B21R2.5288511 COCC(O)CNc1[nH]nc2c1c(=O)n(c(=O)n2C)C acb552ca402e1c970780db068ba3c7e5 [0,1,0,0,0,1|2,0,0]=4 53 B21R2.5288511 Cn1c(=O)c2c([nH]nc2n(c1=O)C)NC[C@@H](O)CCO d037e3ef63360000c908225962380462 [0,1,0,0,0,1|2,0,0]=4 54 B21R2.5288511 Cn1c(=O)c2c(coc2n(c1=O)C)OC[C@@H](O)CCO 0633de13182521367a5d2e1954b52dd9 [0,1,0,0,0,1|2,0,0]=4 55 B21R2.2087832 C#CCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C 6ac5abd14870f75cc522362dd96340d3 [0,2,0,0,0,0|2,0,0]=4 56 B21R2.2087832 C=CCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C 43f3a4c6c122546ceba1dbf4aa3ac1f9 [0,2,0,0,0,0|2,0,0]=4 57 B21R2.2087832 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCC#N f9de334c217553500464dab10c831747 [0,2,0,0,0,0|2,0,0]=4 58 B21R2.2087832 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCC=O 10adf27a1c0ab5e74cb2108bb195745e [0,2,0,0,0,0|1,0,1]=4 59 B21R2.2087832 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCCF 96d73cb9db56f955cf3c05270c8cbcd9 [0,2,0,0,0,0|2,0,0]=4 60 B21R2.2087832 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)OCCS 7fa5e10894a225f3109e3778c3436939 [0,2,0,0,0,0|1,1,0]=4 61 B21R2.2087832 CCCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C a3078ef44620dbaa1c561717df20601b [0,2,0,0,0,0|2,0,0]=4 62 B21R2.2087832 COCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C 122893302f42af845b84344df3432073 [0,2,0,0,0,0|1,0,0]=3 63 B21R2.2087832 CSCOC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C a4aa4d3c08876fc8ab595d2e98335c19 [0,2,0,0,0,0|1,1,0]=4 64 B21R2.2087832 Cn1c(=O)c2c(ncn2CC(=O)NCCO)n(c1=O)C 1738c33a260cff96e0c148a125203405 [0,2,0,0,0,0|0,0,2]=4 65 B21R2.1170306 CCC(C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 1368ffef08d8e85d4ea289b458b36171 [0,0,0,0,0,2|2,0,0]=4 66 B21R2.24994442 Cn1c(=O)c2cc(ccc2n(c1=O)C)OCC(O)CO 45ff7647554582e1c38f70f87ccd1d30 [0,0,0,0,0,2|2,0,0]=4 67 B21R2.24994442 Cn1c(=O)c2cc(ccc2n(c1=O)C)OC[C@@H](O)CO a01da49329a32e0399e5ddcd97c4f174 [0,0,0,0,0,2|2,0,0]=4 68 B21R2.24994442 Cn1c(=O)c2cc(ccc2n(c1=O)C)OC[C@H](O)CO 80826972c5b113feeb36156c2529d2be [0,0,0,0,0,2|2,0,0]=4