Added 20 molecules from epoch 20098 for P31645
Browse files- P31645_molecules.csv +20 -0
P31645_molecules.csv
CHANGED
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@@ -50586,3 +50586,23 @@ rxn:1:59299:35552,Cc1cc(C(=O)Nc2cc(I)cc(I)c2)ccc1-c1cn(CCCCc2ncnc3[nH]cnc23)nn1,
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| 50586 |
rxn:1:59349:34846,Cc1c(F)cc(C(=O)Nc2cncc(-c3cn(CCCCc4c[nH]c5ncnc(N)c45)nn3)c2)cc1Br,GGCJBOBSAGHFEC-UHFFFAOYSA-N
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| 50587 |
rxn:1:60046:22921,Cc1nn(C)c(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4I)c3)nn2)c1Br,IVUDZLZWNKMDHE-UHFFFAOYSA-N
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| 50588 |
rxn:1:62501:22920,Cc1nc(C(F)(F)F)ccc1-n1cc(-c2cncc(-n3nc(C4CNC4)cc3I)c2)nn1,QCBFMDBSZOPATN-UHFFFAOYSA-N
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| 50586 |
rxn:1:59349:34846,Cc1c(F)cc(C(=O)Nc2cncc(-c3cn(CCCCc4c[nH]c5ncnc(N)c45)nn3)c2)cc1Br,GGCJBOBSAGHFEC-UHFFFAOYSA-N
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| 50587 |
rxn:1:60046:22921,Cc1nn(C)c(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4I)c3)nn2)c1Br,IVUDZLZWNKMDHE-UHFFFAOYSA-N
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| 50588 |
rxn:1:62501:22920,Cc1nc(C(F)(F)F)ccc1-n1cc(-c2cncc(-n3nc(C4CNC4)cc3I)c2)nn1,QCBFMDBSZOPATN-UHFFFAOYSA-N
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| 50589 |
+
rxn:1:39935:9396,O=C(Nc1cccc(-c2cn(CC=Cc3ccc4c(c3)CC4)nn2)c1)c1c[nH]c2cc(F)ccc2c1=O,XPLBZQNXRARSEP-UHFFFAOYSA-N
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| 50590 |
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rxn:1:40014:12592,Cc1cc(C=O)sc1C=CCn1cc(-c2cccc(C(=O)Nc3ccc4nccnc4c3Br)c2)nn1,VBFHKSSZTLBRGF-UHFFFAOYSA-N
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| 50591 |
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rxn:1:40021:9391,O=C(Nc1cccc(-c2cn(CC=Cc3ccc(Cl)cc3O)nn2)c1)c1c[nH]c2ccc(O)cc2c1=O,PYDHUBTUJUWSSQ-UHFFFAOYSA-N
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| 50592 |
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rxn:1:40024:9396,O=C(Nc1cccc(-c2cn(CC=Cc3cccc(F)c3O)nn2)c1)c1c[nH]c2cc(F)ccc2c1=O,XPKWTMKVYIFDCZ-UHFFFAOYSA-N
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| 50593 |
+
rxn:1:40027:9391,O=C(Nc1cccc(-c2cn(CC=Cc3ccc(F)c(O)c3)nn2)c1)c1c[nH]c2ccc(O)cc2c1=O,WHNFWRYOTWHBPS-UHFFFAOYSA-N
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| 50594 |
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rxn:1:40061:10411,Cc1ccc(-c2csc3[nH]c(=O)n(Cc4cn(CC=Cc5cnc(N)c(F)c5)nn4)c(=O)c23)cc1C,AOFDGTMKIYIVMI-UHFFFAOYSA-N
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| 50595 |
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rxn:1:40066:31124,CSc1ncc(C=CCn2cc(-c3n[nH]c4c(-c5cn(C(C)c6ccccc6)c(=O)[nH]c5=O)cc(F)cc34)nn2)cn1,NGUMGRXYOJJJBN-UHFFFAOYSA-N
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| 50596 |
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rxn:1:40066:9389,CSc1ncc(C=CCn2cc(-c3cccc(NC(=O)c4c[nH]c5cc(O)ccc5c4=O)c3)nn2)cn1,VGZZHODPHSTFFP-UHFFFAOYSA-N
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| 50597 |
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rxn:1:40066:9391,CSc1ncc(C=CCn2cc(-c3cccc(NC(=O)c4c[nH]c5ccc(O)cc5c4=O)c3)nn2)cn1,DBCIZSZJBKEPTH-UHFFFAOYSA-N
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| 50598 |
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rxn:1:40066:9394,CSc1ncc(C=CCn2cc(-c3cccc(NC(=O)c4c[nH]c5c(O)cccc5c4=O)c3)nn2)cn1,BRPISLQQBUOXFG-UHFFFAOYSA-N
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| 50599 |
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rxn:1:40066:9611,CSc1ncc(C=CCn2cc(-c3cccc(NC(=O)c4c[nH]c5cc(Br)ccc5c4=O)c3)nn2)cn1,CHMJKKRDUKHYJK-UHFFFAOYSA-N
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| 50600 |
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rxn:1:40066:9747,CSc1ncc(C=CCn2cc(-c3cccc(NC(=O)c4cc(=O)c5cccc(O)c5[nH]4)c3)nn2)cn1,NKSHDYYNSJSNKU-UHFFFAOYSA-N
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| 50601 |
+
rxn:1:40068:10411,Cc1ccc(-c2csc3[nH]c(=O)n(Cc4cn(CC=Cc5cnc(F)c(N)c5)nn4)c(=O)c23)cc1C,VFROWGGNDMDOGE-UHFFFAOYSA-N
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| 50602 |
+
rxn:1:40068:10418,Cc1ccc(-c2c(C)sc3[nH]c(=O)n(Cc4cn(CC=Cc5cnc(F)c(N)c5)nn4)c(=O)c23)cc1,YVIMBWMHRAORJJ-UHFFFAOYSA-N
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| 50603 |
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rxn:1:40439:10411,CSc1ncc(C=CCn2cc(Cn3c(=O)[nH]c4scc(-c5ccc(C)c(C)c5)c4c3=O)nn2)c(Cl)n1,YPQMOTAVAYRJCS-UHFFFAOYSA-N
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| 50604 |
+
rxn:1:41301:22889,Nc1ncnc2ccc(C=CCn3cc(-c4cncc(-n5nc(C(F)(F)F)c(Br)c5N)c4)nn3)cc12,WKXJWKLJWKBJIX-UHFFFAOYSA-N
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| 50605 |
+
rxn:1:43927:23513,Cn1cc(C#CCCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)c(N)n1,MEXPTRQATPJNLJ-UHFFFAOYSA-N
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| 50606 |
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rxn:1:46168:22921,Nc1nc2ccc(C=CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5I)c4)nn3)cc2s1,UXKDAUVJDIFYSO-UHFFFAOYSA-N
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| 50607 |
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rxn:1:59409:34846,Cc1c(F)cc(C(=O)Nc2cncc(-c3cn(CCCCc4n[nH]c5ncnc(N)c45)nn3)c2)cc1Br,ZHNGEZYTNZLFBU-UHFFFAOYSA-N
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| 50608 |
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rxn:1:60377:22923,FCCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)c(-c2cccs2)n1,YXECHIDZNQZJLS-UHFFFAOYSA-N
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