Added 1 molecules from epoch 18688 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -11,3 +11,4 @@ rxn:2:89622:172608,Cc1ccc(-c2cccc3c2C(NCC2CCn4cccc42)CC3)c(C)c1,UMIJTGIRAWTVIP-U
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| 11 |
rxn:4:185169:223674,O=C(c1ccc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1,PXKSBHGCNWCBMF-UHFFFAOYSA-N
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| 12 |
rxn:2:76292:163156,Cc1ccc(-c2ccc3c(c2)CCO3)c(C(C)NC(C)CC2CCCCO2)c1,HXOHKQDWLCBFDL-UHFFFAOYSA-N
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| 13 |
rxn:2:92336:137597,COc1ccc(C2CC2NC2CC(C)(SC)CCC2C(C)C)c(OC)c1,SWEGNNPIXGUIGY-UHFFFAOYSA-N
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| 11 |
rxn:4:185169:223674,O=C(c1ccc(-c2ccc(COc3cc(C(F)(F)F)ccc3Cl)cc2)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1,PXKSBHGCNWCBMF-UHFFFAOYSA-N
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| 12 |
rxn:2:76292:163156,Cc1ccc(-c2ccc3c(c2)CCO3)c(C(C)NC(C)CC2CCCCO2)c1,HXOHKQDWLCBFDL-UHFFFAOYSA-N
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| 13 |
rxn:2:92336:137597,COc1ccc(C2CC2NC2CC(C)(SC)CCC2C(C)C)c(OC)c1,SWEGNNPIXGUIGY-UHFFFAOYSA-N
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| 14 |
+
rxn:2:113507:173057,Cc1ccc2ncc(-c3csc(C(C)Nc4ccc5c(c4)N(C(C)C)CC5)c3)cc2c1,ZKCFAPCSBFGJGE-UHFFFAOYSA-N
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