Added 40 molecules from epoch 20842 for P31645
Browse files- P31645_molecules.csv +40 -0
P31645_molecules.csv
CHANGED
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@@ -51794,3 +51794,43 @@ rxn:5:198919:229333:229303,Cc1cc(-c2ncccn2)cc2cc(-c3ccc[se]3)[nH]c12,QWQSNDIRLOY
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| 51794 |
rxn:5:199065:223467:229333,Cc1cc2cc(-c3ncc[nH]3)ccc2nc1-c1ccc[se]1,UJZAJBYDVJGSRJ-UHFFFAOYSA-N
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| 51795 |
rxn:5:199065:229333:223468,Cc1cc2cc(-c3ccc[se]3)ccc2nc1-c1c[nH]cn1,PGXCROQQICIJNM-UHFFFAOYSA-N
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| 51796 |
rxn:5:199081:223468:229320,Cc1cc(-c2cc(F)cs2)nc2ccc(-c3c[nH]cn3)cc12,PUPPACMGVIGJGT-UHFFFAOYSA-N
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| 51794 |
rxn:5:199065:223467:229333,Cc1cc2cc(-c3ncc[nH]3)ccc2nc1-c1ccc[se]1,UJZAJBYDVJGSRJ-UHFFFAOYSA-N
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| 51795 |
rxn:5:199065:229333:223468,Cc1cc2cc(-c3ccc[se]3)ccc2nc1-c1c[nH]cn1,PGXCROQQICIJNM-UHFFFAOYSA-N
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| 51796 |
rxn:5:199081:223468:229320,Cc1cc(-c2cc(F)cs2)nc2ccc(-c3c[nH]cn3)cc12,PUPPACMGVIGJGT-UHFFFAOYSA-N
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| 51797 |
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rxn:3:38746:44710:114283,O=C(NC1CC2CC1CC2(F)F)c1ccc(C#CCCn2cc(-c3ncc(F)cn3)nn2)cc1F,NZRRCCWFGSHEFY-UHFFFAOYSA-N
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| 51798 |
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rxn:5:176763:229250:229333,CCOCc1cc(-c2cncc(C)n2)ccc1-c1ccc[se]1,LMVMGEMVNPNXOC-UHFFFAOYSA-N
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| 51799 |
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rxn:5:181064:229072:223464,COc1cc(-c2cc[nH]c2)ccc1-c1cncc(SC)c1,RFUBQXINYDIXAX-UHFFFAOYSA-N
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| 51800 |
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rxn:5:181415:228925:223468,COc1cc(-c2cc(SC)cnc2F)cc(C)c1-c1c[nH]cn1,JQUANWUQAPMSQG-UHFFFAOYSA-N
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| 51801 |
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rxn:5:181582:228933:229333,CCc1cc(-c2cnc(OC)cc2F)cc(C)c1-c1ccc[se]1,DTCVXIYXFGLAJW-UHFFFAOYSA-N
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| 51802 |
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rxn:5:182442:223312:229335,c1nc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cs1,FCLIKKFBSXDXMW-UHFFFAOYSA-N
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| 51803 |
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rxn:5:182442:223312:229342,c1cc(-c2cnsc2)ccc1-c1ccc(C2CNC2)cc1,MHDCEOYPKHKQBH-UHFFFAOYSA-N
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| 51804 |
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rxn:5:182442:223312:229343,c1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)ns1,MZKBUOADQCPSQZ-UHFFFAOYSA-N
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| 51805 |
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rxn:5:182442:223323:229333,Cc1cc2cn[nH]c2cc1-c1ccc(-c2ccc[se]2)cc1,DCPACMFFJOBVJZ-UHFFFAOYSA-N
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| 51806 |
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rxn:5:182576:229163:223464,COc1cc(-c2cc(C)c(-c3cc[nH]c3)cc2C)cnn1,GTEZPUVXLVCADS-UHFFFAOYSA-N
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| 51807 |
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rxn:5:195300:223421:229333,CNC(C)c1ccc(-c2cc(OC)c(-c3ccc[se]3)cn2)s1,WYHHOYOQGZQULR-UHFFFAOYSA-N
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| 51808 |
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rxn:5:195309:229022:229343,COc1cc(-c2ccsn2)cnc1-c1cncc(C)c1C,YHXBVXAUCFJFTP-UHFFFAOYSA-N
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| 51809 |
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rxn:5:195316:228683:229333,CCCc1ncc(-c2ccc(-c3ccc[se]3)nc2OC)cn1,CQCYIBBPSBUFQN-UHFFFAOYSA-N
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| 51810 |
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rxn:5:195321:228454:229333,COc1cc(-c2cnc(-c3ccc[se]3)c(SC)c2)c(OC)nn1,MJWPVJAABNBUNV-UHFFFAOYSA-N
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| 51811 |
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rxn:5:195364:228456:229333,COc1nc(SC)ncc1-c1cncc(-c2ccc[se]2)c1OC,AKKMHYRRDHWSJL-UHFFFAOYSA-N
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| 51812 |
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rxn:5:195524:229333:228865,CCOc1cnc(-c2ncc(-c3ccc[se]3)cc2CC)cn1,HOAVCYULHDHXHF-UHFFFAOYSA-N
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| 51813 |
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rxn:5:195525:228322:229333,CCOc1ncc(-c2cnc(-c3ccc[se]3)cc2CC)cc1F,RYVFDSXLSQZCSQ-UHFFFAOYSA-N
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| 51814 |
+
rxn:5:195525:228710:229333,CCc1cc(-c2ccc[se]2)ncc1-c1cnc(C(C)C)nc1,KZDZJBSVPJLART-UHFFFAOYSA-N
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| 51815 |
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rxn:5:195525:228748:229333,CCc1cc(-c2ccc[se]2)ncc1-c1cnc(OC)cc1C,VSTPAMOLGPOEOI-UHFFFAOYSA-N
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| 51816 |
+
rxn:5:195525:229333:228864,CCOc1ncc(-c2cc(CC)c(-c3ccc[se]3)cn2)cn1,FTAKLCFVWDZXAI-UHFFFAOYSA-N
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| 51817 |
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rxn:5:195526:223464:229333,CCc1nc(-c2ccc[se]2)ccc1-c1cc[nH]c1,NXGZMPLCKALZIG-UHFFFAOYSA-N
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| 51818 |
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rxn:5:195528:228865:229333,CCOc1cnc(-c2cc(-c3ccc[se]3)c(CC)cn2)cn1,BRGNKFJHOOSVEW-UHFFFAOYSA-N
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| 51819 |
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rxn:5:195793:229333:229020,COc1c(-c2cc(C)nc(C)c2)ncc(-c2ccc[se]2)c1C,LSWJONHXRNKGMO-UHFFFAOYSA-N
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| 51820 |
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rxn:5:195798:223468:229333,c1c[se]c(-c2ncc(-c3c[nH]cn3)cc2C2CC2)c1,XWGGCNLJVOLJJL-UHFFFAOYSA-N
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| 51821 |
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rxn:5:198122:223305:229333,Cc1c[nH]c2cc(-c3ccc(-c4ccc[se]4)cn3)ccc12,PUDTXYLZNYCCMH-UHFFFAOYSA-N
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| 51822 |
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rxn:5:198199:223211:229333,COc1ccc(-c2ccc(-c3ccc[se]3)[n+]([O-])c2)c2cc[nH]c12,GKGHNFWYMUGVDE-UHFFFAOYSA-N
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| 51823 |
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rxn:5:198225:229078:223464,COc1cncc(-c2cnc(-c3cc[nH]c3)c(C)c2)c1,LDQDHRWSZHZGIQ-UHFFFAOYSA-N
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| 51824 |
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rxn:5:198227:223464:229333,Cc1nc(-c2ccc[se]2)ccc1-c1cc[nH]c1,CGRSSCBQRXIDJS-UHFFFAOYSA-N
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| 51825 |
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rxn:5:198230:223418:229331,Cc1cc(-c2cccs2)ncc1-c1c[nH]cc2nccc1-2,SCHIPZMSXAFCKL-UHFFFAOYSA-N
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| 51826 |
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rxn:5:198230:229018:229343,Cc1cc(-c2ccsn2)ncc1-c1c(C)ccnc1C,BYPMOADPRWNMJS-UHFFFAOYSA-N
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| 51827 |
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rxn:5:198237:223407:229320,Cc1cc(-c2cnc3cc[nH]c3c2)ncc1-c1cc(F)cs1,RPVCCZXHCANNKE-UHFFFAOYSA-N
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| 51828 |
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rxn:5:198237:228135:229333,CCOc1cc(C)ncc1-c1cc(C)c(-c2ccc[se]2)cn1,RJNPSQXQKMCVEM-UHFFFAOYSA-N
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| 51829 |
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rxn:5:198323:228761:229333,COc1cc(-c2c(C)cc(-c3ccc[se]3)nc2C)cnc1C,SPTREMYARCDZIW-UHFFFAOYSA-N
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| 51830 |
+
rxn:5:198326:223418:229335,Cc1cc(-c2c[nH]cc3nccc2-3)c(C)nc1-c1cscn1,MSKCYZPPVQJNHD-UHFFFAOYSA-N
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| 51831 |
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rxn:5:198328:229333:223464,Cc1c(-c2ccc[se]2)cnc(-c2cc[nH]c2)c1C,IBAWOMXOODZPIQ-UHFFFAOYSA-N
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| 51832 |
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rxn:5:198514:229244:229333,Cc1nccc(-c2c[nH]c3c(-c4ccc[se]4)cccc23)n1,LICPZHGBTUKQTB-UHFFFAOYSA-N
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| 51833 |
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rxn:5:198543:229312:223313,Cc1nocc1-c1cc(-c2ccc(C3(O)CC3)cc2)c2[nH]ccc2c1,CRRBFVKATNBHPI-UHFFFAOYSA-N
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| 51834 |
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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 |
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rxn:5:198919:229333:223449,Cc1cc(-c2cc(=O)[nH]cc2F)cc2cc(-c3ccc[se]3)[nH]c12,LISPEEKJOYGSAU-UHFFFAOYSA-N
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