Added 32 molecules from epoch 19399 for Q01959
Browse files- Q01959_molecules.csv +32 -0
Q01959_molecules.csv
CHANGED
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@@ -12589,3 +12589,35 @@ rxn:4:209675:226155,CC(=O)c1cc(-c2ccc(N3CCCCC3=O)cn2)cc(C2CC2)c1,VFSRUUGNTDFKRR-
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| 12589 |
rxn:4:210434:225677,Cc1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)cc([N+](=O)[O-])c12,SYVWAPLUZWYRCY-UHFFFAOYSA-N
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| 12590 |
rxn:4:217545:222877,Cc1c([N+](=O)[O-])cc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c2[nH]ncc12,QRFKQMUSEBSGNA-UHFFFAOYSA-N
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| 12591 |
rxn:5:196198:226399:229014,CC(C)c1ccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(-c3ncccn3)cc2)s1,GNBISNVEIOWBBY-UHFFFAOYSA-N
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| 12589 |
rxn:4:210434:225677,Cc1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)cc([N+](=O)[O-])c12,SYVWAPLUZWYRCY-UHFFFAOYSA-N
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| 12590 |
rxn:4:217545:222877,Cc1c([N+](=O)[O-])cc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c2[nH]ncc12,QRFKQMUSEBSGNA-UHFFFAOYSA-N
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| 12591 |
rxn:5:196198:226399:229014,CC(C)c1ccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(-c3ncccn3)cc2)s1,GNBISNVEIOWBBY-UHFFFAOYSA-N
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| 12592 |
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rxn:4:180997:223130,OC1CN(Cc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)C1,SWYITJBQSSDOTB-UHFFFAOYSA-N
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| 12593 |
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rxn:4:188821:226336,CCOC(=O)c1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)nc1C,KBLSVNQCSKAVQR-UHFFFAOYSA-N
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| 12594 |
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rxn:4:191370:225881,N#CCc1c(F)cc(-c2ccc(C3CCOCC3)nc2F)cc1F,ZWFAWBGDINWGDP-UHFFFAOYSA-N
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| 12595 |
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rxn:4:194044:222537,COC(=O)c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c2ncsc12,KHQPVEQJIKVNLQ-UHFFFAOYSA-N
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| 12596 |
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rxn:4:195124:223137,Fc1nc(-c2cncc(C3CCCNC3)c2)ccc1C(F)F,OGSYUONUMVYHES-UHFFFAOYSA-N
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| 12597 |
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rxn:4:195186:225559,O=[N+]([O-])c1cc(F)c(F)c(-c2ccc(OCC3CCOC3)cc2)c1,XOJMSKMWZQZDJW-UHFFFAOYSA-N
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| 12598 |
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rxn:4:195186:226438,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(C3CCCC3)cc2F)c1,AFOBMLSHLGVIEX-UHFFFAOYSA-N
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| 12599 |
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rxn:4:195186:226730,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(OC3CCC3)nc2Cl)c1,KEZMPLPTENDOEJ-UHFFFAOYSA-N
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| 12600 |
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rxn:4:195525:222925,CCc1cc(Cl)ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,KORDDISYXLGROZ-UHFFFAOYSA-N
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| 12601 |
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rxn:4:195612:227381,Cc1cc(-c2cnc(C3CCCC3)nc2)cc([N+](=O)[O-])c1Cl,LBSLYOGECMVFFG-UHFFFAOYSA-N
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| 12602 |
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rxn:4:195624:226432,Cc1cc(-c2ccc(C3CCCC3)nc2F)cc([N+](=O)[O-])c1F,LOUMMCGBQIHBSQ-UHFFFAOYSA-N
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| 12603 |
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rxn:4:195628:226432,Cc1ccc([N+](=O)[O-])c(F)c1-c1ccc(C2CCCC2)nc1F,IGAPEJIXYNQYGV-UHFFFAOYSA-N
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| 12604 |
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rxn:4:195632:225677,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCCC3)nc2F)c1Cl,LSAICLCLSMIJCH-UHFFFAOYSA-N
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| 12605 |
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rxn:4:195642:225300,Cc1cc(F)c(-c2ccc(OC3CCOCC3)nc2F)cc1[N+](=O)[O-],AUBSNUNHSGMGBP-UHFFFAOYSA-N
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| 12606 |
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rxn:4:195643:225923,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)nc2Cl)c1F,OOFXAESRVGVNLQ-UHFFFAOYSA-N
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| 12607 |
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rxn:4:195643:227490,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC(C)(C)C)nc2)c1F,HQTTZYZSNBQGSC-UHFFFAOYSA-N
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| 12608 |
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rxn:4:195704:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc([N+](=O)[O-])c(F)c(C)c1F,DDHGPAIOCVAFIS-UHFFFAOYSA-N
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| 12609 |
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rxn:4:195704:226432,Cc1c(F)c(-c2ccc(C3CCCC3)nc2F)cc([N+](=O)[O-])c1F,WDWSENPYFJEDMI-UHFFFAOYSA-N
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| 12610 |
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rxn:4:196526:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(C2CCOC2)nc1F,FBIUSVURTAXYNA-UHFFFAOYSA-N
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| 12611 |
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rxn:4:196856:227944,CC(C)(C)c1cncc(-c2ccc(C3CCCCO3)nc2)c1,TZKQBWDCZYNATQ-UHFFFAOYSA-N
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| 12612 |
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rxn:4:198726:222803,Fc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)ccc2cccnc12,RUHWQVGYFKQUKH-UHFFFAOYSA-N
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| 12613 |
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rxn:4:198827:222847,N#Cc1cc(-c2cnc3cc(F)c(F)cc3c2)cc(C2CCCNC2)c1,AGXSKBBRUNQDKH-UHFFFAOYSA-N
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| 12614 |
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rxn:4:205037:225191,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1cnc(OC2CCCCC2)cc1F,BYZYZCFEGPGFNV-UHFFFAOYSA-N
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| 12615 |
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rxn:4:205037:225336,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccc(COCC(F)(F)F)cc1F,UAZKJZGBUHRSCW-UHFFFAOYSA-N
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| 12616 |
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rxn:4:205037:226505,CC(C)COc1ncc(-c2cc([N+](=O)[O-])cc(F)c2C#N)cc1Cl,RAGRHZIKJFXBQM-UHFFFAOYSA-N
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| 12617 |
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rxn:4:205037:227381,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1cnc(C2CCCC2)nc1,CMBNQJOYLXEWRR-UHFFFAOYSA-N
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| 12618 |
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rxn:4:205264:225794,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCCC3)nc2)c1C#N,UBYIWBWLHRZOFV-UHFFFAOYSA-N
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| 12619 |
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rxn:4:208046:225684,Cc1nc(C2CCOCC2)ccc1-c1ncc(C#N)cc1Cl,SUGKEMZHKAIXLF-UHFFFAOYSA-N
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| 12620 |
+
rxn:4:208261:225852,C#Cc1ncc(-c2cnc(C3CCCCC3)nc2Cl)c(C)n1,JLDJRYJPUKDINX-UHFFFAOYSA-N
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| 12621 |
+
rxn:4:215320:225183,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(OC2CCCCC2)nc1F,PDFJAVPDZAXKSD-UHFFFAOYSA-N
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| 12622 |
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rxn:4:217252:225201,N#Cc1cccn2c(-c3ccc(OC4CCCC4)c(F)c3F)cnc12,IPMRJWVIIJBQHE-UHFFFAOYSA-N
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| 12623 |
+
rxn:4:217340:225047,Cc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)cnc1N1CCC(C)CC1,SKQVDTQNERXDPX-UHFFFAOYSA-N
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