Added 32 molecules from epoch 19400 for Q01959
Browse files- Q01959_molecules.csv +32 -0
Q01959_molecules.csv
CHANGED
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@@ -12621,3 +12621,35 @@ rxn:4:208261:225852,C#Cc1ncc(-c2cnc(C3CCCCC3)nc2Cl)c(C)n1,JLDJRYJPUKDINX-UHFFFAO
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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 |
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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| 12621 |
rxn:4:215320:225183,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(OC2CCCCC2)nc1F,PDFJAVPDZAXKSD-UHFFFAOYSA-N
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| 12622 |
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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| 12624 |
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rxn:4:173572:224570,CC(c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1)N1CCN(C)CC1,SMTUBDCGAHIAKF-UHFFFAOYSA-N
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| 12625 |
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rxn:4:190310:226816,CN(Cc1ccc(-c2cnc(-c3ccoc3)nc2Cl)c(F)c1)C1CCCCC1,ALGROIUQEOMGRQ-UHFFFAOYSA-N
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| 12626 |
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rxn:4:192323:227779,COc1cc(-c2cc([N+](=O)[O-])cc(F)c2F)cnc1C1CC1,UGSNELOSIGETPV-UHFFFAOYSA-N
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| 12627 |
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rxn:4:194934:225802,C#Cc1nc(Cl)ccc1-c1ccc(OC2CCCC2)nc1F,SJWYYYPQLAAGPO-UHFFFAOYSA-N
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| 12628 |
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rxn:4:195040:223000,FCc1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1Cl,VCVYDQJXXGJENK-UHFFFAOYSA-N
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| 12629 |
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rxn:4:195493:225802,Cc1cc(C#N)cc(-c2ccc(OC3CCCC3)nc2F)c1F,OQIZSMHSJWNFIC-UHFFFAOYSA-N
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| 12630 |
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rxn:4:195643:225684,Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCOCC3)nc2C)c1F,ZYHVZEBMRKNAKK-UHFFFAOYSA-N
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| 12631 |
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rxn:4:195653:226712,COCCOc1ccc(-c2cc(C(C)(F)F)cnc2Cl)c(F)n1,RQCZURZNJIKWIW-UHFFFAOYSA-N
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| 12632 |
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rxn:4:195808:225802,Fc1nc(OC2CCCC2)ccc1-c1nccc(C2CC2)c1F,ITSVDLJFXQKWKF-UHFFFAOYSA-N
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| 12633 |
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rxn:4:195816:222925,COc1ncc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c(C)c1Cl,YIWFZZSPTHVHHQ-UHFFFAOYSA-N
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| 12634 |
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rxn:4:196197:226174,O=C1C=CC(=O)N1c1cccc(-c2ccc(C3CCCCC3)nc2)c1,NCPWSXMFWIMCDY-UHFFFAOYSA-N
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| 12635 |
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rxn:4:196851:226881,COc1c(F)c(F)c(-c2ccc(C3CCOC3)nc2C)c(F)c1F,CNNNSIAVYFYMOX-UHFFFAOYSA-N
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| 12636 |
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rxn:4:198798:222847,N#Cc1cc(-c2cc3nccc(Cl)c3cc2F)cc(C2CCCNC2)c1,DSWDGISCLOGFFJ-UHFFFAOYSA-N
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| 12637 |
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rxn:4:201954:224390,COC(=O)c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c(CN2CCN(C)CC2)c1,CVRNOQHSUGJUAX-UHFFFAOYSA-N
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| 12638 |
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rxn:4:203146:226777,Cc1cc(-c2cnc(OCC3CCC3)cn2)cc(OC(F)F)c1F,MTWSOPYXZVYUBI-UHFFFAOYSA-N
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| 12639 |
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rxn:4:203146:226870,Fc1ccc(-c2cnc(OCC3CCC3)cn2)cc1OC(F)(F)F,ZZRNEZZTXPSZGX-UHFFFAOYSA-N
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| 12640 |
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rxn:4:203190:228371,N#Cc1c(F)ccc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1F,LRXUVNIASLVPEV-UHFFFAOYSA-N
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| 12641 |
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rxn:4:203190:228938,Cc1cnc(Cl)c(F)c1-c1cnc(OCC2CC(F)(F)C2)nc1,LBMIZWWJJNFMAY-UHFFFAOYSA-N
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| 12642 |
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rxn:4:205024:225859,N#Cc1ccc([N+](=O)[O-])cc1-c1cnc(N2CCCCC2)c(Cl)c1,SDHIPMQRFFTRDO-UHFFFAOYSA-N
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| 12643 |
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rxn:4:205024:225881,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCOCC2)nc1F,NTIBGZLJBGCZBP-UHFFFAOYSA-N
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| 12644 |
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rxn:4:205024:226457,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCOC2)c(F)c1,NILVFWLHYZXXTP-UHFFFAOYSA-N
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| 12645 |
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rxn:4:205024:227381,N#Cc1ccc([N+](=O)[O-])cc1-c1cnc(C2CCCC2)nc1,MUYJPPIQPHXZJH-UHFFFAOYSA-N
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| 12646 |
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rxn:4:205045:227085,N#Cc1cc([N+](=O)[O-])cc(-c2ccc(C3CCCC3)nc2)c1F,UFIHEGFIGAWNOK-UHFFFAOYSA-N
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| 12647 |
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rxn:4:205178:226336,COc1c(-c2cc(C#N)c(C3CC3)cc2Cl)ccnc1[N+](=O)[O-],CBEXZVJGHGXSOW-UHFFFAOYSA-N
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| 12648 |
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rxn:4:208162:226275,Cc1cc(-c2cc([N+](=O)[O-])cnc2F)cnc1OCC(C)C,HRABWAIZEILUNP-UHFFFAOYSA-N
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| 12649 |
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rxn:4:209970:225988,O=[N+]([O-])c1cc(-c2c(F)cc(C3OCCO3)cc2F)cc2[nH]ccc12,UJYCUCSMOOYHDN-UHFFFAOYSA-N
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| 12650 |
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rxn:4:215320:225677,N#Cc1ncc([N+](=O)[O-])cc1-c1ccc(C2CCCCC2)nc1F,KJHLKZVEHMHYDR-UHFFFAOYSA-N
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| 12651 |
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rxn:4:217545:223000,Cc1c([N+](=O)[O-])cc(-c2ccc(C3CCCNC3)c(F)c2)c2[nH]ncc12,WQNXPXBQKLQFDX-UHFFFAOYSA-N
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| 12652 |
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rxn:4:217545:225597,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)nc2)c2[nH]ncc12,GPEKAWLQHGVTDM-UHFFFAOYSA-N
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| 12653 |
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rxn:4:224331:189559,O=C(CN1CCCC1=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1,KUNZMFPZRIVAJB-UHFFFAOYSA-N
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| 12654 |
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rxn:4:225835:184346,CCOC(=O)CC(=O)c1cc(-c2cnc(-c3ccc(F)cc3)nc2)cnc1Cl,ISXWTPYQCWJMGB-UHFFFAOYSA-N
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| 12655 |
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rxn:5:197423:226382:229003,COc1cccc(-c2c(OC)ccc3ncc(-c4cnc(C5CCCCC5)nc4)cc23)c1,OCELMHHCEGBEST-UHFFFAOYSA-N
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