Spaces:
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Running
Eachan Johnson
commited on
Commit
·
a0c5e52
1
Parent(s):
a11f59c
Update dv cache
Browse files- cache/duvida/136539728a6895c5.csv +7 -0
- cache/duvida/23a9a85c6a8d8ca5.csv +0 -0
- cache/duvida/31a004b146932294.csv +7 -0
- cache/duvida/4a127b5f4d1db333.csv +0 -0
- cache/duvida/5786d51323982971.csv +7 -0
- cache/duvida/75265b1678cbb4c6.csv +7 -0
- cache/duvida/9f5423c6fd028844.csv +0 -0
- cache/duvida/af019368a65a3c55.csv +0 -0
- cache/duvida/e4eac0de4be211df.csv +7 -0
- cache/duvida/fce5d9707d51cef0.csv +0 -0
cache/duvida/136539728a6895c5.csv
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id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,pmic
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84632098,trimethoprim,5578,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.137890436,1.2575999999999996,
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53665249,"n3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine",4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,
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25606904,pemetrexed,135410875,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,WBXPDJSOTKVWSJ-ZDUSSCGKSA-N,427.14918339199994,0.6664,
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25889936,nolatrexed,135400184,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,XHWRWCSCBDLOLM-UHFFFAOYSA-N,284.073182004,2.35992,
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94031947,methotrexate,126941,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,FBOZXECLQNJBKD-ZDUSSCGKSA-N,454.1713158039999,0.2684000000000003,
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99461212,raltitrexed,135400182,Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1,IVTVGDXNLFLDRM-HNNXBMFYSA-N,458.1260054239999,1.9772199999999995,
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cache/duvida/23a9a85c6a8d8ca5.csv
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cache/duvida/31a004b146932294.csv
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id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,pmic
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62395520,"n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",11546620,C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO,FQYBTYFKOHPWQT-VGSWGCGISA-N,437.195070964,0.9032000000000002,
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53665249,"n3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine",4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,
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28517032,pyrimethamine,4993,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,
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76242396,aminopterin,169371,Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-LBPRGKRZSA-N,440.15566574000013,0.24410000000000132,
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+
25889936,nolatrexed,135400184,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,XHWRWCSCBDLOLM-UHFFFAOYSA-N,284.073182004,2.35992,
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10710226,tenovin-6,24772043,CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,BVJSXSQRIUSRCO-UHFFFAOYSA-N,454.240247328,4.781300000000003,
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cache/duvida/4a127b5f4d1db333.csv
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cache/duvida/5786d51323982971.csv
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id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,pmic
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62395520,"n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",11546620,C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO,FQYBTYFKOHPWQT-VGSWGCGISA-N,437.195070964,0.9032000000000002,
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53665249,"n3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine",4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,
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15733298,"n2,n4-dibenzylquinazoline-2,4-diamine",676352,c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1,QAIMUUJJAJBPCL-UHFFFAOYSA-N,340.16879664,4.854000000000003,
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10710226,tenovin-6,24772043,CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,BVJSXSQRIUSRCO-UHFFFAOYSA-N,454.240247328,4.781300000000003,
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28517032,pyrimethamine,4993,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,
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76242396,aminopterin,169371,Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-LBPRGKRZSA-N,440.15566574000013,0.24410000000000132,
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cache/duvida/75265b1678cbb4c6.csv
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id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,pmic
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62395520,"n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",11546620,C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO,FQYBTYFKOHPWQT-VGSWGCGISA-N,437.195070964,0.9032000000000002,
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53665249,"n3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine",4259181,CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1,AVXQPEKZIGPIJW-UHFFFAOYSA-N,371.2109958000001,4.912700000000004,
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28517032,pyrimethamine,4993,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,
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10710226,tenovin-6,24772043,CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,BVJSXSQRIUSRCO-UHFFFAOYSA-N,454.240247328,4.781300000000003,
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76242396,aminopterin,169371,Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-LBPRGKRZSA-N,440.15566574000013,0.24410000000000132,
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25889936,nolatrexed,135400184,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,XHWRWCSCBDLOLM-UHFFFAOYSA-N,284.073182004,2.35992,
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cache/duvida/9f5423c6fd028844.csv
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cache/duvida/af019368a65a3c55.csv
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cache/duvida/e4eac0de4be211df.csv
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id,pubchem_name,pubchem_id,smiles,inchikey,mwt,clogp,pmic
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11006647,api-1252;debio 1452,66780180,Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12,QXTWSUQCXCWEHF-UHFFFAOYSA-N,375.1582915320001,3.6927200000000013,
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92538103,,,Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)C[C@@H](N)C(=O)N3)oc2ccccc12,AEHIWLAQKTVLCP-QGZVFWFLSA-N,390.1691905640001,2.6299199999999994,
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86029193,,,Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CC[C@H]([NH3+])C(=O)N3)oc2ccccc12.[Cl-],FCJIJHAQWMWXOH-FERBBOLQSA-N,440.1615183400001,-0.6927799999999977,
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15968459,fluorouracil,3385,O=c1[nH]cc(F)c(=O)[nH]1,GHASVSINZRGABV-UHFFFAOYSA-N,130.017855556,-0.7977000000000001,
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56240604,carmofur,2577,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,AOCCBINRVIKJHY-UHFFFAOYSA-N,257.117569592,0.8136999999999999,
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45772418,etoposide,36462,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,VJJPUSNTGOMMGY-MRVIYFEKSA-N,588.1842910839999,1.3385999999999993,
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cache/duvida/fce5d9707d51cef0.csv
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