Added 44 molecules from epoch 20843 for P31645
Browse files- P31645_molecules.csv +44 -0
P31645_molecules.csv
CHANGED
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@@ -51834,3 +51834,47 @@ rxn:5:198543:229312:223313,Cc1nocc1-c1cc(-c2ccc(C3(O)CC3)cc2)c2[nH]ccc2c1,CRRBFV
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| 51834 |
rxn:5:198634:223460:229333,Cc1nc(-c2ccc3cnc(-c4ccc[se]4)cc3c2)c[nH]1,DKGMYWDRXYCDSD-UHFFFAOYSA-N
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| 51835 |
rxn:5:198655:223468:229290,Cc1sccc1-c1ccc2c(-c3c[nH]cn3)ccnc2c1,KMKXMXFETJYEEL-UHFFFAOYSA-N
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| 51836 |
rxn:5:198919:229333:223449,Cc1cc(-c2cc(=O)[nH]cc2F)cc2cc(-c3ccc[se]3)[nH]c12,LISPEEKJOYGSAU-UHFFFAOYSA-N
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| 51834 |
rxn:5:198634:223460:229333,Cc1nc(-c2ccc3cnc(-c4ccc[se]4)cc3c2)c[nH]1,DKGMYWDRXYCDSD-UHFFFAOYSA-N
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| 51835 |
rxn:5:198655:223468:229290,Cc1sccc1-c1ccc2c(-c3c[nH]cn3)ccnc2c1,KMKXMXFETJYEEL-UHFFFAOYSA-N
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| 51836 |
rxn:5:198919:229333:223449,Cc1cc(-c2cc(=O)[nH]cc2F)cc2cc(-c3ccc[se]3)[nH]c12,LISPEEKJOYGSAU-UHFFFAOYSA-N
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| 51837 |
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rxn:3:38364:44711:114283,O=C(NC1CC2CC1CC2(F)F)c1cc(F)cc(C#CCCn2cc(-c3cn4ccnc4cn3)nn2)c1,WTSQFFFQCOKBRH-UHFFFAOYSA-N
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| 51838 |
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rxn:5:181062:228456:229333,COc1ccc(-c2ccc[se]2)cc1-c1cnc(SC)nc1OC,FLKVPGZEGQKBHV-UHFFFAOYSA-N
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| 51839 |
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rxn:5:181418:223407:229344,COc1cc(-c2cnc3cc[nH]c3c2)c(C)cc1-c1cocn1,JXQWNDWUPAOZMU-UHFFFAOYSA-N
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| 51840 |
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rxn:5:181418:223409:229335,COc1cc(-c2cnc3[nH]ccc3c2)c(C)cc1-c1cscn1,SOHSHRBTZDQXEN-UHFFFAOYSA-N
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| 51841 |
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rxn:5:181575:229160:229333,CCc1cc(-c2ccc[se]2)c(C)cc1-c1cnc(SC)nc1,WJQSRSWQMLYXPL-UHFFFAOYSA-N
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| 51842 |
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rxn:5:182442:223312:229317,Fc1ccc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)s1,DUAVDXYBUWNRNV-UHFFFAOYSA-N
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| 51843 |
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rxn:5:182576:228735:229333,COc1cncc(C)c1-c1cc(C)c(-c2ccc[se]2)cc1C,YYYYEIACXKFOBR-UHFFFAOYSA-N
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| 51844 |
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rxn:5:182577:228728:229333,COc1ncc(-c2cc(C)c(-c3ccc[se]3)c(C)c2)cc1C,IFRIWAVLYREYDJ-UHFFFAOYSA-N
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| 51845 |
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rxn:5:182896:228882:229333,COc1ncc(-c2ccc(-c3ccc[se]3)c3c2CCC3)c(C)n1,AVXQUUAWTUSPGC-UHFFFAOYSA-N
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| 51846 |
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rxn:5:191681:223458:229335,CCOc1cc(-c2cscn2)cnc1-c1c[nH]nc1C,HTDJDROWPAMPQB-UHFFFAOYSA-N
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| 51847 |
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rxn:5:195079:223397:229213,C[n+]1ccc(-c2cccc(-c3ccc4c(c3)CCN4)c2[N+](=O)[O-])cc1,CDYGYWPAOXYVNR-UHFFFAOYSA-N
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| 51848 |
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rxn:5:195299:228592:229333,COc1cc(-c2cncc(C(C)C)c2)cnc1-c1ccc[se]1,MJHATYYLROMNQH-UHFFFAOYSA-N
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| 51849 |
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rxn:5:195299:228756:223463,COc1cc(-c2ccc(SC)nc2C)cnc1-c1ccc[nH]1,ONDLKUXMCASFKM-UHFFFAOYSA-N
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| 51850 |
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rxn:5:195299:228882:229343,COc1ncc(-c2cnc(-c3ccsn3)c(OC)c2)c(C)n1,HIUWKJAFUCQZQV-UHFFFAOYSA-N
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| 51851 |
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rxn:5:195308:228549:229333,CCCc1ccc(-c2ccc(-c3ccc[se]3)c(OC)n2)cn1,ACLHYZQBEHYJQV-UHFFFAOYSA-N
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| 51852 |
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rxn:5:195308:228882:229333,COc1ncc(-c2ccc(-c3ccc[se]3)c(OC)n2)c(C)n1,UILMGPFKMQFABU-UHFFFAOYSA-N
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| 51853 |
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rxn:5:195309:228589:229333,COc1cc(-c2ccc[se]2)cnc1-c1ccc(C(C)C)nc1,ZHMFIJHYKMGXOP-UHFFFAOYSA-N
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| 51854 |
+
rxn:5:195315:228864:229333,CCOc1ncc(-c2cnc(-c3ccc[se]3)cc2OC)cn1,SLASDTKCWZXYKO-UHFFFAOYSA-N
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| 51855 |
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rxn:5:195525:229333:228764,CCc1cc(-c2ccnc(OC)c2C)ncc1-c1ccc[se]1,PHAOKNIWQDVUGZ-UHFFFAOYSA-N
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| 51856 |
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rxn:5:195526:223306:229342,CCc1nc(-c2cnsc2)ccc1-c1ccc2c(c1)CNCC2,KYXZFFRFPSDNGU-UHFFFAOYSA-N
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| 51857 |
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rxn:5:195526:229333:228756,CCc1nc(-c2ccc(SC)nc2C)ccc1-c1ccc[se]1,VCBOPVVLWMKMAV-UHFFFAOYSA-N
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| 51858 |
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rxn:5:195526:229333:228761,CCc1nc(-c2cnc(C)c(OC)c2)ccc1-c1ccc[se]1,PFZDXLINSFRVPO-UHFFFAOYSA-N
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| 51859 |
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rxn:5:198120:223319:229333,Cc1cc(-c2ccc(-c3ccc[se]3)nc2)cc2cn[nH]c12,SCXHXTATYZHWKD-UHFFFAOYSA-N
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| 51860 |
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rxn:5:198122:223463:229333,c1c[nH]c(-c2ccc(-c3ccc[se]3)cn2)c1,LANJDQFONSARAB-UHFFFAOYSA-N
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| 51861 |
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rxn:5:198225:223375:229333,Cc1cc(-c2cc(F)cc3[nH]ncc23)cnc1-c1ccc[se]1,HJSANJPANHZDBY-UHFFFAOYSA-N
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| 51862 |
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rxn:5:198225:223462:229333,Cc1cc(-c2cnc(-c3ccc[se]3)c(C)c2)n[nH]1,QYPDDKSQLKOBSI-UHFFFAOYSA-N
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| 51863 |
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rxn:5:198225:228737:229335,COc1ccc(-c2cnc(-c3cscn3)c(C)c2)c(C)n1,AQWAVUBEBGLAOS-UHFFFAOYSA-N
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| 51864 |
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rxn:5:198227:223392:229333,Cc1nc(-c2ccc[se]2)ccc1-c1ccc2[nH]ccc2c1,IUPZRZHTLLMVBN-UHFFFAOYSA-N
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| 51865 |
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rxn:5:198227:223413:229333,Cc1nc(-c2ccc[se]2)ccc1-c1cncc2[nH]ccc12,JGDIUDACYCDCEO-UHFFFAOYSA-N
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| 51866 |
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rxn:5:198227:223457:229333,Cc1cc(-c2ccc(-c3ccc[se]3)nc2C)[nH]n1,OHPAWIAGUPPMPW-UHFFFAOYSA-N
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| 51867 |
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rxn:5:198227:226690:229343,Cc1nc(-c2cscn2)ccc1-c1ccc(-c2ccsn2)nc1C,HLMNXOLDBSQJAF-UHFFFAOYSA-N
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| 51868 |
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rxn:5:198228:223406:229333,Cc1nc(-c2cncc3cc[nH]c23)ccc1-c1ccc[se]1,MFGSKQVMUQIBHY-UHFFFAOYSA-N
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| 51869 |
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rxn:5:198243:227432:229333,Cc1nc(C2COC2)ccc1-c1ccnc(-c2ccc[se]2)c1C,GJEKYLQRNXKCCL-UHFFFAOYSA-N
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| 51870 |
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rxn:5:198322:228686:229333,CCOc1cc(-c2cc(C)c(-c3ccc[se]3)c(C)n2)ccn1,HSARSYDVZLELBU-UHFFFAOYSA-N
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| 51871 |
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rxn:5:198326:228683:229333,CCCc1ncc(-c2cc(C)c(-c3ccc[se]3)nc2C)cn1,MCGCGAKUBJOXTF-UHFFFAOYSA-N
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| 51872 |
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rxn:5:198326:229025:229333,Cc1cc(-c2cc(C)n(C)c2C)c(C)nc1-c1ccc[se]1,PZAXVQFRQCOCTD-UHFFFAOYSA-N
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| 51873 |
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rxn:5:198327:229159:229343,COc1ncc(-c2nc(C)c(-c3ccsn3)cc2C)cn1,GTIOCCMLXNJRBX-UHFFFAOYSA-N
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| 51874 |
+
rxn:5:198433:229097:229333,Cc1cc(-c2ccc(-c3ccc[se]3)c3ncoc23)cnc1F,FEBKOQFZDKFKPQ-UHFFFAOYSA-N
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| 51875 |
+
rxn:5:198919:229333:223468,Cc1cc(-c2c[nH]cn2)cc2cc(-c3ccc[se]3)[nH]c12,NTSGLOXUTDTMFV-UHFFFAOYSA-N
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| 51876 |
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rxn:5:198919:229333:229281,Cc1cc(-c2cnc(F)cn2)cc2cc(-c3ccc[se]3)[nH]c12,GBFWMWWUASWFCB-UHFFFAOYSA-N
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| 51877 |
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rxn:5:199059:229333:223468,Cc1cc(-c2ccc[se]2)cc2ccc(-c3c[nH]cn3)nc12,IPLKZBHQZJCTFF-UHFFFAOYSA-N
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| 51878 |
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rxn:5:199065:223466:229333,Cc1cc2cc(-c3cn[nH]c3)ccc2nc1-c1ccc[se]1,USAUJMMRANFQOZ-UHFFFAOYSA-N
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| 51879 |
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rxn:5:199082:229333:223468,Cc1cc2ccc(-c3ccc[se]3)cc2nc1-c1c[nH]cn1,ZIQQITHSGHLDNM-UHFFFAOYSA-N
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| 51880 |
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rxn:5:199104:223466:229333,Cc1nc(-c2ccc[se]2)cc2cc(-c3cn[nH]c3)ccc12,DDIIPASVSFAIRD-UHFFFAOYSA-N
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