__key__ stringlengths 8 9 | __url__ stringclasses 32
values | lig_xyz.pyd unknown | name.txt stringlengths 4 4 | rec_r.pyd unknown | rec_feat.pyd unknown | rec_xyz.pyd unknown | seq.txt stringlengths 24 4.72k | smiles.txt stringlengths 4 317 |
|---|---|---|---|---|---|---|---|---|
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0_000210 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVRQcAAAAAAABdlChHQB29cKPXCj1HwBdtkWhysCFHQB8i0OVgQYmHlEdAIJmZmZmZmkfAFgUeuFHrhUdAGkSbpeNT+IeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCFbpeNT989HwBk+dsi0OVhHQBYPXCj1wo+HlEdAIu0OVgQYk0fAFrMzMzMzM0dAEjxqfvnbI4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAI/tkWhysCEfAGMi0OVgQYkdACwY... | 1fm9 | "gASVzpIAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQgCSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQJIAAP4dNaUGssg/sEUZRYwruz+vmk6V7TbvP5UU1UBpFe+/P+d4BsGgxD+NvJ5d8VjGP7stvsb0v8G/oDSVZglm779djUO6Ay3BP15/+qz6VMK/13sSc+usyj9rEdh... | "gASVhgAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQgCSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKgbQEARIs0wfLSOUE/NTpC6SY5wSUGUUE3CTtCsHI4wSlcXUF3vjVCF9lIwQaBZUEj2zNCVg4pwUSLWkH0/T5CAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVTjEAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQgCSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwDAAAL6fGi/dJCfAVOOlm8QgKkD+1HjpJmFHQKjGSzeJQSTAAAAAAABALUAlBoGVQ8tFQBSuR+F6VCTA/Knx0k3iJkAAAAAAAMBEQAIrhxbZThrA46WbxCAwJUB/arx... | NEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAV... | Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1 |
0_000211 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVog4AAAAAAABdlChHQDt9si0OVgRHQERmhysCDEpHQEkQYk3S8aqHlEdAOrtkWhysCEdARI41P3ztkUdASG7ZFocrAoeUR0A7Man752yLR0BEIcrAgxJvR0BH2BBiTdLyh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAPKXjU/fO2UdAREhR64UeuEdAR6++dsi0OYeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDpj1wo9cKRHQERSDEm6XjVHQEc3S8an756HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1fo0 | "gASVTqkAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVgCSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwKgAAHL11zBSfuG/t0elebJM47+UtAfDd5bivxFYJZp6EYO/xGI84pAO5r8wYr6gli7nP8zgc7Mhy+q/t7mZ9CGx2T8WXg5OncHXP6bGohSoKOY/0C0RVxhi5T+5G5k... | "gASVhgAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVgCSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiULgpQEAGQS4QX0/dUJU4w1CjZe+QdNNdUKL7BJCTmK5QV46cULTzRZCc2i+QQKrbkKmGxpCexS9Qd/PekJGthVCexSzQTXefUKR7RNC4Xq1Qb4fgEIbLw1C8KfDQR3... | "gASVzjgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVgCSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQDgAAG3n+6nx0jdAfT81XrqpTkAhsHJokV1CQLbz/dR46TRA9ihcj8LFTUCsHFpkOx9DQK5H4XoUjjNAbxKDwMohTEA5tMh2vr9DQNEi2/l+SjVAvp8aL910SkBzaJH... | MGPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRTLLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYLEGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGTFQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRWEIQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGK... | CCC(C)C([NH3+])C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(C(=O)O)C(C)CC)C(C)O |
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0_000232 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVcAQAAAAAAABdlChHwBYWhysCDEpHv+C8an752yNHQDALhR64UeyHlEfAGAAAAAAAAEc/6KwIMSbpeUdAMLysCDEm6YeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEfAHgUeuFHrhUc/8N0vGp++d0dAMNaHKwIMSoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1g52 | "gASVHkkAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQIBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCkEgAAAwP4yL4b9Q/R+12CM+C679gmAceQoPZvzHbuG15eOK/FPLuQAEexD/yZ6V1gaTpv2ddMxzeDOg/f+EYmmwa3z+/N1KNBYzcv9JabJ9oie0/4F4myKTwxr860nD... | "gASV+LUAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQIBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJotQAAO99bQaAav7/b+R5BWDlUQSUGIb/b+QxBVOM9QTMzM75U4xNBaJE5QQrXI77RIidBMzNTQZ7vt78nMfBAVg5bQfypMb9okclA+FNZQc3MLD+HFsVA/tRkQTe... | "gASVvhgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTQIBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCMBgAALpJDAIrhypAVOOlm8Qg5L+sHFpkO58hQKAaL90kRiNALbKd76fG4z/fT42XblIhQDEIrBxa5B1A+FPjpZvE9L8nMQisHFomQHWTGARWjhVA3SQGgZVDEcAtsp3... | HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK | NS(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2F)cc1 |
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0_000237 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVSggAAAAAAABdlChHQCkJN0vGp/BHQDA1P3ztkWhHQBIXjU/fO2SHlEdAJxqfvnbItEdAMWTdLxqfvkdAEgIMSbpeNYeUR0Ami0OVgQYlR0Ax7MzMzMzNR0AXpN0vGp++h5RHQCfEGJN0vGpHQDNUOVgQYk5HQBitDlYEGJOHlEdAJXU/fO2RaEdANEj1wo9cKUdAGnfO2RaHK4eUR0Aj6n752yLRR0AzlDlYEGJOR0AebItDlYEGh5RHQCQQYk3S8apHQDOiTdLxqfxHQCHgQYk3S8eHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1g7g | "gASVFlQAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCiFMAAN+02+DyX9G/xgyy1LyA57+wdDN1QufjPydQ5X3yOZW/MV31MGnR5D8H1ZrGHUvoP9alNJmCyu6/1GmLnQS7yD8qaD+TOI7Iv8BwvGcbfuU/x4FsRF/D4j81cnG... | "gASVZNEAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiULU0AAAEoMjQs3MOEG6SUy/0SIlQsdLOUGTGCQ/vp8hQkoMSEE5tLg/mG4hQvypW0H0/aQ/AAArQgwCP0HfT20/HVotQg4tNEE5tAhA4XotQtEiP0GiRV5A7FEpQr6... | "gASVZhwAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC2BsAADEIrBxapERAtvP91HgpJ0BQjZduEoPkPycxCKwcWkNAWmQ730/NKEDpJjEIrBwKQH0/NV66WURArBxaZDvfLUBMN4lBYOUUQBSuR+F69ERAppvEILCSMED6fmq... | EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED | CCCCCNC(=O)C(Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)O |
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0_000287 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVHwsAAAAAAABdlChHP9CTdLxqfvpHP/b987ZFoctHQCatkWhysCGHlEc/9aXjU/fO2Uc/3WBBiTdLx0dAJ5wo9cKPXIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHP+tT987ZFodHv9NT987ZFodHQCoR64UeuFKHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AF3ztkWhysRz/yj1wo9cKPR0AoC0OVgQYlh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdACU3S8an750c//lHrhR64UkdAJZu... | 1hvl | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAABEBgCIb15L8+Ed8yQiXoP4Rqrw4i7KS/2IhUQeIQ4j8dnJXKrfjcP8C9y9f7Fea/7k7PUaoS4L8vRboWYGjev261NouNHue/VDvHEQX67b86uS3IMn68v7JLoQL... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAAB56WbAFK7zQMUgCELsUSjAObTYQMUgC0IMApu/eeniQIeWCUKcxIC/hev5QKjGBUKwcjjAGQSqQGq8CULl0GrArByuQLKdBEJ9P5HAVOPVQCuHBUIAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAACtejcD0KBcBKDAIrhxYbQGq8dJMYZEFAGy/dJAaB8T/jpZvEILAZQPp+arx0U0FAF9nO91Pj/z9xPQrXo3AKQDvfT42XXkBASOF6FK5HFUAAAAAAAAD6P+XQItv... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CC(C)C(NC(=O)N(C)Cc1ccccn1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C |
0_000288 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVEAgAAAAAAABdlChHwB/BiTdLxqhHQCwT987ZFodHQDvw5WBBiTeHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR8AhONT987ZGR0AuHrhR64UfR0A79DlYEGJOh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEfAIOwIMSbpeUdAL9iTdLxqf0dAOueuFHrhSIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwB9qfvnbItFHQC6ztkWhysFHQDmyLQ5WBBmHlEfAIMMSbpeNUEdAL3XCj1wo9kdAOFY... | 1hvr | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAyMv/K0sikr9wiodYybTjvw0F90y/NOk/jPVr/xk2v7+2GHQttProv+DcbbrcneO/Oczl8pfB7z91id5NK127vwAHqhQDXa+/xmuX0VU/3D9tc+pHHaHsPyymzBS... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAACPwkvBCKwbQsdL+kEQWEvBVGMcQtej7kEzM1nBOTQYQsdL6UFQjWHBBoEUQiUG7kFU4zPBPQocQhsv60EOLSrBEoMYQoPA80FU4zXBO18aQv7U/UEAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAXrpJDAJrKcAj2/l+aoxDQBSuR+F61D1ApHA9CtejLMAQWDm0yKZCQB+F61G4/jpAfT81XrqJKMAlBoGVQ0tBQDm0yHa+XzlAGy/dJAZBKsCBlUOLbMdAQLgehet... | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNFPQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF | O=C1N(Cc2ccc3ccccc3c2)C(Cc2ccccc2)C(O)C(O)C(Cc2ccccc2)N1Cc1ccc2ccccc2c1 |
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