0 B19R2.9899 CC1CC(CO1)NC(CO)C(O)c2ccccc2 9001653a17405097758b115dfc5a0a8a [0,0,1,0,0,0|2,0,1]=4 1 B19R2.9899 CC1CC(CO1)N[C@@H](CO)[C@@H](O)c2ccccc2 62054572e90014b7dee7a6515d5f529f [0,0,1,0,0,0|2,0,1]=4 2 B19R2.9899 CC1CC(CO1)N[C@H](CO)[C@H](O)c2ccccc2 ebf6adfd9964d72b2c9cc593b72a0699 [0,0,1,0,0,0|2,0,1]=4 3 B18R2.3865 CC(COC1CC(=O)NC1C)c2ccccc2 76ec0e648d29a88cd22a0c27b2179cf4 [1,0,1,0,0,0|2,0,0]=4 4 B18R2.3865 CC(CO[C@H]1CC(=O)N[C@H]1C)c2ccccc2 a14a71f5c7e84ee8614cc1626401b4e4 [1,0,1,0,0,0|2,0,0]=4 5 B18R2.3865 CC1NC(=O)CC1OCC(F)c2ccccc2 e5519963a6d985ca5510e9bd58cef68f [1,0,1,0,0,0|2,0,0]=4 6 B18R2.3865 CC1NC(=O)CC1OC[C@@H](C)c2ccccc2 21a95f0916d8311f27094c1fec54f2fc [1,0,1,0,0,0|2,0,0]=4 7 B18R2.3865 C[C@@H]1NC(=O)C[C@@H]1OCC(F)c2ccccc2 ac9d250a9cd624940c74b114d165eabd [1,0,1,0,0,0|2,0,0]=4 8 B18R2.3865 C[C@H](CO[C@H]1CC(=O)N[C@H]1C)c2ccccc2 fc21f67533c2502edb8ddf7874ee4386 [1,0,1,0,0,0|2,0,0]=4 9 B18R2.7832 N#CC(Cc1ccccc1)OC2COC(=O)C2 e6e2a8a1c8a0452184543fdde4c1ee62 [1,0,1,0,0,0|1,0,1]=4 10 B18R2.7832 N#CC(Cc1ccccc1)O[C@@H]2COC(=O)C2 ff0ff891ede682c8fdddf060a54ae2b4 [1,0,1,0,0,0|1,0,1]=4 11 B18R2.7832 N#CC(Cc1ccccc1)O[C@H]2COC(=O)C2 15e41b8367f6fa5fac77069744683539 [1,0,1,0,0,0|1,0,1]=4 12 B18R2.7832 O=C1CC(CN1)N[C@H](CO)Cc2ccccc2 7a73e44a7ab79e7b8827004f9d40a618 [1,0,1,0,0,0|2,0,0]=4 13 B18R2.7832 O=C1C[C@@H](CN1)N[C@H](CO)Cc2ccccc2 bb55a6d4fda196062942c442cef7682f [1,0,1,0,0,0|2,0,0]=4 14 B18R2.7832 O=C1C[C@H](CN1)N[C@H](CO)Cc2ccccc2 fa9032e2f28e521921e84a11fc1d4267 [1,0,1,0,0,0|2,0,0]=4 15 B18R2.7832 O=CC(Cc1ccccc1)OC2COC(=O)C2 5321d65ae8a4ef9e1a09bc5c5c10b09c [1,0,1,0,0,0|0,0,2]=4 16 B18R2.7832 O=CC(Cc1ccccc1)O[C@@H]2COC(=O)C2 0a097b94652ae0710bf6085f861cdad6 [1,0,1,0,0,0|0,0,2]=4 17 B18R2.7832 O=CC(Cc1ccccc1)O[C@H]2COC(=O)C2 cf2de39603ef4c4594dd1cf49921ba91 [1,0,1,0,0,0|0,0,2]=4 18 B18R1.1372 CCCOC(=O)CCOCC(C)c1ccccc1 a8f4936cca859bb640f1388411bdae8c [0,0,2,0,0,0|2,0,0]=4 19 B18R1.1372 CCCOC(=O)CCOCC(F)c1ccccc1 7dcfb3bf6951196352b6386102a4f6d6 [0,0,2,0,0,0|2,0,0]=4 20 B18R1.1372 CCCOC(=O)CCOC[C@@H](C)c1ccccc1 260f82f7ae8932cb61bd435a0dc61eb8 [0,0,2,0,0,0|2,0,0]=4 21 B18R1.24596 CCCC(CC(=O)O)NCC(O)c1ccccc1 a2e3d692e550a3982025b88e1bc55ba8 [0,0,2,0,0,0|2,0,0]=4 22 B18R1.24596 CCCC(CC(=O)O)NC[C@@H](O)c1ccccc1 d14e1cef2be44aacd5f520bb00010609 [0,0,2,0,0,0|2,0,0]=4 23 B18R1.24596 CCCC(CC(=O)O)NC[C@H](O)c1ccccc1 242836ecf247c4a324d27cc5da6e038f [0,0,2,0,0,0|2,0,0]=4 24 B18R1.24596 CCCC(CC(=O)O)OCC(C)c1ccccc1 8ec9be2e17c812f1d24dc1695b05d53d [0,0,2,0,0,0|2,0,0]=4 25 B18R1.24596 CCCC(CC(=O)O)OCC(F)c1ccccc1 b94ddc5e88742601dc26880f3ab40675 [0,0,2,0,0,0|2,0,0]=4 26 B18R1.24596 CCCC(CC(=O)O)OC[C@@H](C)c1ccccc1 a7f3ecf51e9dba7a123352875674e5ff [0,0,2,0,0,0|2,0,0]=4 27 B18R1.24596 CCC[C@@H](CC(=O)O)NCC(O)c1ccccc1 801219cb4e666ce2fe3e81dd9c3bfb7e [0,0,2,0,0,0|2,0,0]=4 28 B18R1.24596 CCC[C@@H](CC(=O)O)NC[C@@H](O)c1ccccc1 6fde7e4b0d9a6fe5a7f0b429d90b0539 [0,0,2,0,0,0|2,0,0]=4 29 B18R1.24596 CCC[C@@H](CC(=O)O)NC[C@H](O)c1ccccc1 bcdbb6614bcaedcff3ec9b43b4f2cd7d [0,0,2,0,0,0|2,0,0]=4 30 B18R1.24596 O=C(O)CN(CCO)CCC(O)c1ccccc1 b04678288d79ceedfd8065e4877de8ff [0,0,2,0,0,0|2,0,0]=4 31 B18R1.24596 O=C(O)CN(CCO)CC[C@@H](O)c1ccccc1 a4063a422a3a662639771911da1064d9 [0,0,2,0,0,0|2,0,0]=4 32 B18R1.24596 O=C(O)CN(CCO)CC[C@H](O)c1ccccc1 dcbee4d6038b5b1691641df425115285 [0,0,2,0,0,0|2,0,0]=4 33 B18R1.658 CC(CC(=O)O)NC(CO)C(O)c1ccccc1 dd06af8fcb572fa869b9bee7326064c9 [0,0,2,0,0,0|1,0,0]=3 34 B18R1.658 CC(CC(=O)O)N[C@@H](CO)[C@@H](O)c1ccccc1 8955902cde3aa05a1022a1e83575d177 [0,0,2,0,0,0|1,0,0]=3 35 B18R1.658 CC(CC(=O)O)N[C@H](CO)[C@H](O)c1ccccc1 ec03e1b479449dd0fceebaa8a8dffaa9 [0,0,2,0,0,0|1,0,0]=3 36 B18R1.2219 CNC(=O)CCNC(CO)C(O)c1ccccc1 04e87cebe85c3e55362bb21fa847fbba [0,0,2,0,0,0|2,0,0]=4 37 B18R1.2219 CNC(=O)CCN[C@@H](CO)[C@@H](O)c1ccccc1 547e5d32dca443cadd81ea70c8a6fb70 [0,0,2,0,0,0|2,0,0]=4 38 B18R1.2219 CNC(=O)CCN[C@H](CO)[C@H](O)c1ccccc1 a797248a4c4b5d2c35bdaebf028b8947 [0,0,2,0,0,0|2,0,0]=4 39 B18R1.2219 COC(=O)CCNC(CO)C(O)c1ccccc1 854774146f1a05ceff5e436aa1a57052 [0,0,2,0,0,0|1,0,0]=3 40 B18R1.2219 COC(=O)CCN[C@@H](CO)[C@@H](O)c1ccccc1 cdba588e3b3e1ebef61bf1647bae1c49 [0,0,2,0,0,0|1,0,0]=3 41 B18R1.2219 COC(=O)CCN[C@H](CO)[C@H](O)c1ccccc1 b96776fa33751152e3aff3c8afb1a45a [0,0,2,0,0,0|1,0,0]=3 42 B18R1.2219 COC(=O)OCNC(CO)C(O)c1ccccc1 f91409115e22484da89a7b1c7425074a [0,0,2,0,0,0|2,0,0]=4 43 B18R1.2219 COC(=O)OCN[C@@H](CO)[C@@H](O)c1ccccc1 5a40f3930afb23b09c55ef0c2c34d9dd [0,0,2,0,0,0|2,0,0]=4 44 B18R1.2219 COC(=O)OCN[C@H](CO)[C@H](O)c1ccccc1 a8b77042e9ed8d326dee83709a487cb3 [0,0,2,0,0,0|2,0,0]=4 45 B18R1.45536 CC(=O)CCCNC(CO)C(O)c1ccccc1 85afa4c20cdd0df69ded6bdd07754fc1 [0,0,2,0,0,0|2,0,0]=4 46 B18R1.45536 CC(=O)CCCN[C@@H](CO)[C@@H](O)c1ccccc1 c2e9ac0542cef5661ffb80f4dd7887aa [0,0,2,0,0,0|2,0,0]=4 47 B18R1.45536 CC(=O)CCCN[C@H](CO)[C@H](O)c1ccccc1 357ec104488b31e025c73502ff8963c6 [0,0,2,0,0,0|2,0,0]=4 48 B18R1.45536 CC(=O)NCCNC(CO)C(O)c1ccccc1 ec8a11eda667a78d88230202740974fd [0,0,2,0,0,0|2,0,0]=4 49 B18R1.45536 CC(=O)NCCN[C@@H](CO)[C@@H](O)c1ccccc1 7d5991ca7d1fea341e3ecf514d7f9600 [0,0,2,0,0,0|2,0,0]=4 50 B18R1.45536 CC(=O)NCCN[C@H](CO)[C@H](O)c1ccccc1 1ad202847a8ba346bcf5da055a66e483 [0,0,2,0,0,0|2,0,0]=4 51 B18R1.45536 CC(=O)OCCNC(CO)C(O)c1ccccc1 16a687404fcc10a4745017d4960d0a28 [0,0,2,0,0,0|1,0,0]=3 52 B18R1.45536 CC(=O)OCCN[C@@H](CO)[C@@H](O)c1ccccc1 ae9d960a2d18b37555208469d3876722 [0,0,2,0,0,0|1,0,0]=3 53 B18R1.45536 CC(=O)OCCN[C@H](CO)[C@H](O)c1ccccc1 94ddb85bf6c2a6abf8745b03c130cd9f [0,0,2,0,0,0|1,0,0]=3 54 B18R1.45536 CC(=O)SCCNC(CO)C(O)c1ccccc1 35830152807bed8c72e3d02d4fc77560 [0,0,2,0,0,0|1,1,0]=4 55 B18R1.45536 CC(=O)SCCN[C@@H](CO)[C@@H](O)c1ccccc1 dde3cf5adad42618537214e78174deab [0,0,2,0,0,0|1,1,0]=4 56 B18R1.45536 CC(=O)SCCN[C@H](CO)[C@H](O)c1ccccc1 3981c6293485890a84f5e5670ea3b418 [0,0,2,0,0,0|1,1,0]=4 57 B20R2.12340 O=C1CCCC(C1)NC(CO)C(O)c2ccccc2 b6bc8b1e268c9dfa4db71582a7dc6c3b [0,0,1,0,0,1|2,0,0]=4 58 B20R2.12340 O=C1CCCC(C1)N[C@@H](CO)[C@@H](O)c2ccccc2 171461d4996e7e173f5500f348f64c8b [0,0,1,0,0,1|2,0,0]=4 59 B20R2.12340 O=C1CCCC(C1)N[C@H](CO)[C@H](O)c2ccccc2 0ee5917f08a9ce316eb8a336070fabce [0,0,1,0,0,1|2,0,0]=4 60 B20R2.193794 O=C1CC(CN1)CNC(CO)C(O)c2ccccc2 b77e1cf29950e0f4f3a6cf523020382a [0,0,1,0,0,1|2,0,0]=4 61 B20R2.193794 O=C1CC(CN1)CN[C@@H](CO)[C@@H](O)c2ccccc2 82925b45d1dc326c19e3fa88b3333bf4 [0,0,1,0,0,1|2,0,0]=4 62 B20R2.193794 O=C1CC(CN1)CN[C@H](CO)[C@H](O)c2ccccc2 8b5c7310244478807e10f7c523b1b6fc [0,0,1,0,0,1|2,0,0]=4