Added 23 molecules from epoch 20515 for Q63380
Browse files- Q63380_molecules.csv +23 -0
Q63380_molecules.csv
CHANGED
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@@ -8525,3 +8525,26 @@ rxn:1:62327:27893,Cc1nc2ccc(-c3cn(CC(C)CBr)nn3)cc2s1,ITSDKZKMIOTAGS-UHFFFAOYSA-N
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| 8525 |
rxn:1:62588:5934,Cc1ccc(OCc2cn(C3CCCC3I)nn2)c(Cl)n1,UIHFMTPZVAZRKY-UHFFFAOYSA-N
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| 8526 |
rxn:1:64168:1405,Cc1cc(Br)ccc1-n1cc(C2(O)CC(C)(C)CC2C)nn1,PWKQQJOVWJKOTA-UHFFFAOYSA-N
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| 8527 |
rxn:1:65661:31941,Nc1cc(Cl)c(F)cc1-c1cn(CC=Cc2ccsc2)nn1,QOFJWPKJQRKVIE-UHFFFAOYSA-N
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| 8525 |
rxn:1:62588:5934,Cc1ccc(OCc2cn(C3CCCC3I)nn2)c(Cl)n1,UIHFMTPZVAZRKY-UHFFFAOYSA-N
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| 8526 |
rxn:1:64168:1405,Cc1cc(Br)ccc1-n1cc(C2(O)CC(C)(C)CC2C)nn1,PWKQQJOVWJKOTA-UHFFFAOYSA-N
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| 8527 |
rxn:1:65661:31941,Nc1cc(Cl)c(F)cc1-c1cn(CC=Cc2ccsc2)nn1,QOFJWPKJQRKVIE-UHFFFAOYSA-N
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| 8528 |
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rxn:1:41487:2992,Cc1ccc(-n2cc(-c3ccc(C(N)CO)cc3)nn2)c(Br)c1,FDNWKGAKEWHDTB-UHFFFAOYSA-N
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| 8529 |
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rxn:1:41624:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(Br)cc2Br)nn1,OCSWIIKFCGNIPT-UHFFFAOYSA-N
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| 8530 |
+
rxn:1:41711:12202,CCN1C[C@@H](O)[C@@H](c2cn(-c3ccc(I)cc3Br)nn2)C1,WNYMVQUWHPCPKY-QMTHXVAHSA-N
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| 8531 |
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rxn:1:41876:882,Cc1cc(Cl)ccc1-c1cn(-c2cccc(C=CCN)c2)nn1,KKYFJWJOPRRPHT-UHFFFAOYSA-N
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| 8532 |
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rxn:1:41924:170,Cc1c(N)ccc(-c2cn(CC#Cc3ccc(Cl)s3)nn2)c1C,ZGELGRKBGXYKAD-UHFFFAOYSA-N
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| 8533 |
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rxn:1:41924:23584,Nc1c(-c2cn(CC#Cc3ccc(Cl)s3)nn2)oc2ncc(Cl)cc12,NTYIQZUDAIPWGP-UHFFFAOYSA-N
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| 8534 |
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rxn:1:42324:1674,Oc1ncc(C#CCn2cc(-c3ccc(I)o3)nn2)cc1Cl,RPIQUMSKLHXECY-UHFFFAOYSA-N
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| 8535 |
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rxn:1:44413:7772,Clc1ncccc1-n1cc(-c2c[nH]c3cc(Br)ccc23)nn1,CPNOEQSYNVLHLO-UHFFFAOYSA-N
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| 8536 |
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rxn:1:49433:14021,Fc1cc(-c2cn(C3(CI)CNC3)nn2)ccc1OCC(F)(F)F,PGNMEZKVPGYZRC-UHFFFAOYSA-N
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| 8537 |
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rxn:1:55897:35342,O=Cc1cc(C2CC2Cn2cc(-c3ccc(Cl)s3)nn2)ncc1F,GXTRYQAHZUUFKY-UHFFFAOYSA-N
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| 8538 |
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rxn:1:55948:20186,Cc1ccccc1C(=O)Nc1ccc(-c2cn(CCI)nn2)cc1,SFRLEXURGHYWSL-UHFFFAOYSA-N
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| 8539 |
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rxn:1:55948:2784,O=CC=Cc1cccc(-c2cn(CCI)nn2)c1,OQHSXVIRAOIHMC-UHFFFAOYSA-N
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| 8540 |
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rxn:1:57020:3803,Cc1cc(-c2cn(CCCc3occc3Br)nn2)ccc1N,QKHYOUUBALXRAO-UHFFFAOYSA-N
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| 8541 |
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rxn:1:57399:1155,Cc1cnc(CCCn2cc(-c3cc(Br)c(Br)s3)nn2)c(N)c1,LTHYWEGBBXSEOK-UHFFFAOYSA-N
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| 8542 |
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rxn:1:58686:31420,Nc1ccc(-c2cn(CCCCc3ccsc3Cl)nn2)cc1O,CGNBABGKBAXGFE-UHFFFAOYSA-N
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| 8543 |
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rxn:1:58687:1853,Nc1ncc(-c2cn(CCCCc3cscc3Br)nn2)cc1Br,IWKZCUWHEPJSPL-UHFFFAOYSA-N
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| 8544 |
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rxn:1:59574:31197,Oc1cnc(-c2cn(-c3cccc(CCCCBr)c3)nn2)nc1,RXOLNIJKBXKMRU-UHFFFAOYSA-N
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| 8545 |
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rxn:1:59725:412,CSc1ccc(-n2cc(-c3cnc(C)cc3C)nn2)cc1,XVDVGCIXVSSLKX-UHFFFAOYSA-N
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| 8546 |
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rxn:1:59847:2199,Cc1ccc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)nn1,OYBDVGSLNJGWEL-BXUZGUMPSA-N
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| 8547 |
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rxn:1:59847:32277,Cc1cnc(-c2cn([C@@H]3CCCCC[C@H]3I)nn2)cc1F,CQRDWQCEPXVYAF-IUODEOHRSA-N
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| 8548 |
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rxn:1:61827:24200,CC(c1cn(-c2ccc(I)c(Br)c2)nn1)N1CCC1,ICKJXZXHILQJQG-UHFFFAOYSA-N
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| 8549 |
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rxn:1:65654:3733,Cc1ncc(N)cc1-c1cn(-c2cccc(C=CCS)c2)nn1,SQZFZTSKANJKKJ-UHFFFAOYSA-N
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| 8550 |
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rxn:1:65673:37717,Cc1sccc1C=CCn1cc(-c2cnc3[nH]nc(C)c3c2)nn1,QYZNTYZPNGEQPU-UHFFFAOYSA-N
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