Added 100 molecules from epoch 17445 for Q6P6W3
Browse files- Q6P6W3_molecules.csv +100 -0
Q6P6W3_molecules.csv
CHANGED
|
@@ -32851,3 +32851,103 @@ rxn:3:62466:6862:66755,Cc1cc(-c2ccsc2)nn1Cc1cn(C2CCC(C(=O)NCC(C)C3CCC(F)(F)CC3)C
|
|
| 32851 |
rxn:3:62466:7653:69561,CCOC(CNC(=O)C1CCC(n2cc(-c3ncnc4ncccc34)nn2)C2CCC12)C1CCC(F)(F)CC1,WCFQJHCVZNUCJI-UHFFFAOYSA-N
|
| 32852 |
rxn:3:62784:1881:68267,COCCC1(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4cnc5scnc5c4)nn3)CC2=O)CCC(F)(F)CC1,LVUFSKJGPZNCBX-UHFFFAOYSA-N
|
| 32853 |
rxn:3:62784:7193:69372,CC1CC(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4ccc(SCCC(F)(F)F)cc4)nn3)CC2=O)CC(C)S1,JQETXCLJALDLOR-UHFFFAOYSA-N
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 32851 |
rxn:3:62466:7653:69561,CCOC(CNC(=O)C1CCC(n2cc(-c3ncnc4ncccc34)nn2)C2CCC12)C1CCC(F)(F)CC1,WCFQJHCVZNUCJI-UHFFFAOYSA-N
|
| 32852 |
rxn:3:62784:1881:68267,COCCC1(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4cnc5scnc5c4)nn3)CC2=O)CCC(F)(F)CC1,LVUFSKJGPZNCBX-UHFFFAOYSA-N
|
| 32853 |
rxn:3:62784:7193:69372,CC1CC(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4ccc(SCCC(F)(F)F)cc4)nn3)CC2=O)CC(C)S1,JQETXCLJALDLOR-UHFFFAOYSA-N
|
| 32854 |
+
rxn:3:40946:11759:136784,CCN1CCCC1c1cn(CC=Cc2cc(C)cnc2C(=O)NCCC(C)c2ccc3c(c2)CC(C(C)(C)C)O3)nn1,UZKVJHYZJXXPLV-UHFFFAOYSA-N
|
| 32855 |
+
rxn:3:40948:13955:121989,CCCC(C)c1cn(CC=Cc2cnc(C(=O)NC(C)CC3CCCO3)c(C)c2)nn1,REPJNUIHUCVDGK-UHFFFAOYSA-N
|
| 32856 |
+
rxn:3:40948:18135:89159,CCn1nc2c(c1-c1cn(CC=Cc3cnc(C(=O)N[C@@H]4CCOc5c(C(C)C)ccc(C)c54)c(C)c3)nn1)CN(C)CC2,UKQUSKJHCACOFP-MUUNZHRXSA-N
|
| 32857 |
+
rxn:3:40948:18813:89233,Cc1cc(C=CCn2cc(-c3ccnn3C(C)C3CCCC3)nn2)cnc1C(=O)Nc1c(C(C)C)ccc2c1CCC2,XQKHWSRUHNJZKO-UHFFFAOYSA-N
|
| 32858 |
+
rxn:3:42909:18139:85549,Cc1ccc(C#CCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)cc1C(=O)NCC(F)(F)c1ccccc1C(C)C,YCLNDDYJTCUKFH-UHFFFAOYSA-N
|
| 32859 |
+
rxn:3:42922:18135:89159,CCn1nc2c(c1-c1cn(CC#Cc3ccc(C)cc3C(=O)N[C@@H]3CCOc4c(C(C)C)ccc(C)c43)nn1)CN(C)CC2,PMOUTKFONDVWMB-SSEXGKCCSA-N
|
| 32860 |
+
rxn:3:43071:11759:141372,CCN1CCCC1c1cn(CC#Cc2cc(C)cnc2C(=O)NC2(c3ccc(OC)c(C(C)C)c3)COC2)nn1,PQJZHDYKUHMHDJ-UHFFFAOYSA-N
|
| 32861 |
+
rxn:3:43071:18135:136784,CCn1nc2c(c1-c1cn(CC#Cc3cc(C)cnc3C(=O)NCCC(C)c3ccc4c(c3)CC(C(C)(C)C)O4)nn1)CN(C)CC2,CBKRHQWJBVCSKH-UHFFFAOYSA-N
|
| 32862 |
+
rxn:3:43071:18135:141372,CCn1nc2c(c1-c1cn(CC#Cc3cc(C)cnc3C(=O)NC3(c4ccc(OC)c(C(C)C)c4)COC3)nn1)CN(C)CC2,KWBJCRDCHDRXHA-UHFFFAOYSA-N
|
| 32863 |
+
rxn:3:43071:18139:85549,Cc1cnc(C(=O)NCC(F)(F)c2ccccc2C(C)C)c(C#CCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)c1,ITUOVNMIFGIZHM-UHFFFAOYSA-N
|
| 32864 |
+
rxn:3:43071:18539:136784,Cc1cnc(C(=O)NCCC(C)c2ccc3c(c2)CC(C(C)(C)C)O3)c(C#CCn2cc(-c3nn(C4CCCCC4)cc3C(C)C)nn2)c1,UNRXZOWEYMVBGI-UHFFFAOYSA-N
|
| 32865 |
+
rxn:3:43071:28549:136186,Cc1cnc(C(=O)Nc2c(C(C)C)cc(C)cc2C(C)C)c(C#CCn2cc(C(C)CC3CCC3)nn2)c1,KRGKLKNUBWZCIN-UHFFFAOYSA-N
|
| 32866 |
+
rxn:3:43073:18135:86781,CCn1nc2c(c1-c1cn(CC#Cc3cnc(C(=O)NCCOc4ccc(C(C)C)c(C)c4)c(C)c3)nn1)CN(C)CC2,JBGDEAUWXWEJLA-UHFFFAOYSA-N
|
| 32867 |
+
rxn:3:43073:18143:101302,Cc1cc(C#CCn2cc(-c3c4c(nn3CC(F)(F)F)CCN(C)C4)nn2)cnc1C(=O)NCCC1COc2ccc(C(C)C)c(C)c2C1,BLZGFMQNFLADRJ-UHFFFAOYSA-N
|
| 32868 |
+
rxn:3:44725:18538:137496,Cc1ccc(C#CCCn2cc(-c3nn(CCF)cc3C(C)C)nn2)cc1C(=O)NC(C)c1c(C)oc2c1CCCC2,SLVWUUDIKAIXTQ-UHFFFAOYSA-N
|
| 32869 |
+
rxn:3:44847:11759:125181,CCN1CCCC1c1cn(CCC#Cc2cc(C)cnc2C(=O)NCCc2ccc(OC)c(C(C)C)c2)nn1,OBNKMJQXAHYYAF-UHFFFAOYSA-N
|
| 32870 |
+
rxn:3:44847:18135:101534,CCn1nc2c(c1-c1cn(CCC#Cc3cc(C)cnc3C(=O)NCC(C)c3ccc4c(c3)OCO4)nn1)CN(C)CC2,LNYIOULTDGKQHO-UHFFFAOYSA-N
|
| 32871 |
+
rxn:3:44848:11759:137496,CCN1CCCC1c1cn(CCC#Cc2cnc(C(=O)NC(C)c3c(C)oc4c3CCCC4)c(C)c2)nn1,LJUNQDRWSSRATO-UHFFFAOYSA-N
|
| 32872 |
+
rxn:3:44848:18143:138803,Cc1ccc(NC(=O)c2ncc(C#CCCn3cc(-c4c5c(nn4CC(F)(F)F)CCN(C)C5)nn3)cc2C)cc1C(C)C,HRLLNWYHWMAWHI-UHFFFAOYSA-N
|
| 32873 |
+
rxn:3:44848:18537:121989,CCn1cc(C(C)C)c(-c2cn(CCC#Cc3cnc(C(=O)NC(C)CC4CCCO4)c(C)c3)nn2)n1,CQUFOTYMDSPQBC-UHFFFAOYSA-N
|
| 32874 |
+
rxn:3:46252:11759:107237,CCN1CCCC1c1cn(CCC=Cc2ccc(C)c(C(=O)NC(C)c3c(C4CC4)oc4c3CCC4)c2)nn1,ZJAWDMMICKTVHG-UHFFFAOYSA-N
|
| 32875 |
+
rxn:3:46365:11759:128497,CCN1CCCC1c1cn(CCC=Cc2cnc(C(=O)NC3CCCOc4c(C(C)C)ccc(C)c43)c(C)c2)nn1,FTHGLIGHFVDVJH-UHFFFAOYSA-N
|
| 32876 |
+
rxn:3:50699:16826:121989,Cc1ccc(C2C(Cn3cc(-c4cnn(C5CCSCC5)c4C(C)C)nn3)C2(F)F)cc1C(=O)NC(C)CC1CCCO1,QYBRFGYBAHCUGY-UHFFFAOYSA-N
|
| 32877 |
+
rxn:3:50699:18139:129748,Cc1cc(C(CC2CCCCC2)NC(=O)c2cc(C3C(Cn4cc(-c5c6c(nn5C5CCCC5)CCN(C)C6)nn4)C3(F)F)ccc2C)c(C)s1,VSEVEQLMQFHMGV-UHFFFAOYSA-N
|
| 32878 |
+
rxn:3:50699:18537:107237,CCn1cc(C(C)C)c(-c2cn(CC3C(c4ccc(C)c(C(=O)NC(C)c5c(C6CC6)oc6c5CCC6)c4)C3(F)F)nn2)n1,MHPSCYSREJYHCW-UHFFFAOYSA-N
|
| 32879 |
+
rxn:3:50699:18814:97659,Cc1ccc(C2C(Cn3cc(-c4ccnn4C(C)C4CCCCC4)nn3)C2(F)F)cc1C(=O)NC1CCCOC1CC(C)C,FGKUDBWEWDCDOE-UHFFFAOYSA-N
|
| 32880 |
+
rxn:3:50699:19571:89233,Cc1cc(-c2cn(CC3C(c4ccc(C)c(C(=O)Nc5c(C(C)C)ccc6c5CCC6)c4)C3(F)F)nn2)n(C(C)C2CCCCC2)n1,FYZHKZANLKINOY-UHFFFAOYSA-N
|
| 32881 |
+
rxn:3:50699:3068:121989,Cc1ccc(C2C(Cn3cc(C(C)c4cn5c(n4)CCCC5)nn3)C2(F)F)cc1C(=O)NC(C)CC1CCCO1,QAURTVJLSLOFPS-UHFFFAOYSA-N
|
| 32882 |
+
rxn:3:50699:3068:137496,Cc1ccc(C2C(Cn3cc(C(C)c4cn5c(n4)CCCC5)nn3)C2(F)F)cc1C(=O)NC(C)c1c(C)oc2c1CCCC2,FYGBRWKHEQIAHR-UHFFFAOYSA-N
|
| 32883 |
+
rxn:3:52485:18135:136186,CCn1nc2c(c1-c1cn(CCC3CC3c3cccnc3C(=O)Nc3c(C(C)C)cc(C)cc3C(C)C)nn1)CN(C)CC2,AJLYTGCFIQSZRE-UHFFFAOYSA-N
|
| 32884 |
+
rxn:3:52742:18813:89233,Cc1ccc(C2CC2CCn2cc(-c3ccnn3C(C)C3CCCC3)nn2)cc1C(=O)Nc1c(C(C)C)ccc2c1CCC2,MKAWGMVFEMCKKC-UHFFFAOYSA-N
|
| 32885 |
+
rxn:3:52875:11759:121989,CCN1CCCC1c1cn(CCC2CC2c2cc(C)cnc2C(=O)NC(C)CC2CCCO2)nn1,VIJJTBLSRWFABH-UHFFFAOYSA-N
|
| 32886 |
+
rxn:3:52875:11759:138803,CCN1CCCC1c1cn(CCC2CC2c2cc(C)cnc2C(=O)Nc2ccc(C)c(C(C)C)c2)nn1,BQKMWAQWWKTCQZ-UHFFFAOYSA-N
|
| 32887 |
+
rxn:3:52875:11759:89233,CCN1CCCC1c1cn(CCC2CC2c2cc(C)cnc2C(=O)Nc2c(C(C)C)ccc3c2CCC3)nn1,DGLMDBUGGJLXRX-UHFFFAOYSA-N
|
| 32888 |
+
rxn:3:52875:18135:100070,CCn1nc2c(c1-c1cn(CCC3CC3c3cc(C)cnc3C(=O)NCc3ccccc3C(C)C)nn1)CN(C)CC2,DXNOANQTFNJJQU-UHFFFAOYSA-N
|
| 32889 |
+
rxn:3:52876:11759:121989,CCN1CCCC1c1cn(CCC2CC2c2cnc(C(=O)NC(C)CC3CCCO3)c(C)c2)nn1,LTZTWNBJRIWILW-UHFFFAOYSA-N
|
| 32890 |
+
rxn:3:52962:18139:100070,CC(C)c1ccccc1CNC(=O)c1cc(F)c(C2CC2CCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)cc1F,PBRVHDDHLNGYDM-UHFFFAOYSA-N
|
| 32891 |
+
rxn:3:52962:18139:136186,Cc1cc(C(C)C)c(NC(=O)c2cc(F)c(C3CC3CCn3cc(-c4c5c(nn4C4CCCC4)CCN(C)C5)nn3)cc2F)c(C(C)C)c1,AKFIGCZLGAKPNX-UHFFFAOYSA-N
|
| 32892 |
+
rxn:3:52962:23152:89233,CC(C)c1ccc2c(c1NC(=O)c1cc(F)c(C3CC3CCn3cc(CC4CN(C(C)C)C4)nn3)cc1F)CCC2,YYCGZMFIBKPMEY-UHFFFAOYSA-N
|
| 32893 |
+
rxn:3:52964:11762:89233,CC(C)CN1CCCC1c1cn(CCC2CC2c2cc(C(=O)Nc3c(C(C)C)ccc4c3CCC4)c(F)cc2F)nn1,DFNDATCNZYFDFZ-UHFFFAOYSA-N
|
| 32894 |
+
rxn:3:52964:18536:137496,Cc1oc2c(c1C(C)NC(=O)c1cc(C3CC3CCn3cc(-c4nn(C5CCC5)cc4C(C)C)nn3)c(F)cc1F)CCCC2,GUECTPUZUFIOOT-UHFFFAOYSA-N
|
| 32895 |
+
rxn:3:52967:18135:89233,CCn1nc2c(c1-c1cn(CCC3CC3c3cc(F)c(F)cc3C(=O)Nc3c(C(C)C)ccc4c3CCC4)nn1)CN(C)CC2,JPZLRZJUNCGZFK-UHFFFAOYSA-N
|
| 32896 |
+
rxn:3:52967:18536:137496,Cc1oc2c(c1C(C)NC(=O)c1cc(F)c(F)cc1C1CC1CCn1cc(-c3nn(C4CCC4)cc3C(C)C)nn1)CCCC2,KCFQTAWNURBLFO-UHFFFAOYSA-N
|
| 32897 |
+
rxn:3:52967:18539:137496,Cc1oc2c(c1C(C)NC(=O)c1cc(F)c(F)cc1C1CC1CCn1cc(-c3nn(C4CCCCC4)cc3C(C)C)nn1)CCCC2,SAJJVBFEEUJEBE-UHFFFAOYSA-N
|
| 32898 |
+
rxn:3:52967:23161:127349,CC(C)CN1CCC(c2cn(CCC3CC3c3cc(F)c(F)cc3C(=O)N[C@@H]3CCc4c(C(C)C)cccc43)nn2)C1,LTJFJXDGLDAREV-RQGSBKPOSA-N
|
| 32899 |
+
rxn:3:54427:23348:97659,CCC(C)c1cn(CCC2C(c3ccc(C)c(C(=O)NC4CCCOC4CC(C)C)c3)C2(F)F)nn1,YQISUYUAPYENSP-UHFFFAOYSA-N
|
| 32900 |
+
rxn:3:55879:11762:89233,CC(C)CN1CCCC1c1cn(CC2CC2c2cccnc2C(=O)Nc2c(C(C)C)ccc3c2CCC3)nn1,LSGPKXHVAMDGES-UHFFFAOYSA-N
|
| 32901 |
+
rxn:3:55888:18135:128732,CCn1nc2c(c1-c1cn(CC3CC3c3cnccc3C(=O)NCc3cc(C(C)C)c(OC)cc3C)nn1)CN(C)CC2,WWJBOMSADPLZOQ-UHFFFAOYSA-N
|
| 32902 |
+
rxn:3:56103:11759:102856,CCN1CCCC1c1cn(CC2CC2c2ccc(F)c(C(=O)NCc3ccc(C(C)C)c(OC)c3)c2)nn1,PJGNQYJWSJNHSM-UHFFFAOYSA-N
|
| 32903 |
+
rxn:3:56103:11759:89233,CCN1CCCC1c1cn(CC2CC2c2ccc(F)c(C(=O)Nc3c(C(C)C)ccc4c3CCC4)c2)nn1,JBWJRETVRAISIH-UHFFFAOYSA-N
|
| 32904 |
+
rxn:3:56103:18135:127349,CCn1nc2c(c1-c1cn(CC3CC3c3ccc(F)c(C(=O)N[C@@H]4CCc5c(C(C)C)cccc54)c3)nn1)CN(C)CC2,CDCVLVSGDLALPU-JWJBQAENSA-N
|
| 32905 |
+
rxn:3:56103:18538:137496,Cc1oc2c(c1C(C)NC(=O)c1cc(C3CC3Cn3cc(-c4nn(CCF)cc4C(C)C)nn3)ccc1F)CCCC2,PRGMPHUKZXOKEZ-UHFFFAOYSA-N
|
| 32906 |
+
rxn:3:56103:18816:89233,CC(C)c1ccc2c(c1NC(=O)c1cc(C3CC3Cn3cc(-c4ccnn4C(C)C4CCSCC4)nn3)ccc1F)CCC2,CLIDVPWVEIVAIN-UHFFFAOYSA-N
|
| 32907 |
+
rxn:3:56103:23348:128497,CCC(C)c1cn(CC2CC2c2ccc(F)c(C(=O)NC3CCCOc4c(C(C)C)ccc(C)c43)c2)nn1,CHDYFVUCSJPNHX-UHFFFAOYSA-N
|
| 32908 |
+
rxn:3:56103:39531:89233,CC(C)c1ccc2c(c1NC(=O)c1cc(C3CC3Cn3cc(CN4CCN(C(C)C)CC4)nn3)ccc1F)CCC2,SWPFZQGZLIEUEO-UHFFFAOYSA-N
|
| 32909 |
+
rxn:3:56128:11759:136784,CCN1CCCC1c1cn(CC2CC2c2cc(F)ccc2C(=O)NCCC(C)c2ccc3c(c2)CC(C(C)(C)C)O3)nn1,JHWRMMRBHROLCK-UHFFFAOYSA-N
|
| 32910 |
+
rxn:3:56128:18135:101302,CCn1nc2c(c1-c1cn(CC3CC3c3cc(F)ccc3C(=O)NCCC3COc4ccc(C(C)C)c(C)c4C3)nn1)CN(C)CC2,CMROLEIPHZSTBV-UHFFFAOYSA-N
|
| 32911 |
+
rxn:3:56128:18537:137496,CCn1cc(C(C)C)c(-c2cn(CC3CC3c3cc(F)ccc3C(=O)NC(C)c3c(C)oc4c3CCCC4)nn2)n1,UKRONIVQNWUZQU-UHFFFAOYSA-N
|
| 32912 |
+
rxn:3:56129:18536:121989,CC(CC1CCCO1)NC(=O)c1cc(F)ccc1C1CC1Cn1cc(-c2nn(C3CCC3)cc2C(C)C)nn1,YLMXCHISPPDOLS-UHFFFAOYSA-N
|
| 32913 |
+
rxn:3:56129:18539:97659,CC(C)CC1OCCCC1NC(=O)c1cc(F)ccc1C1CC1Cn1cc(-c2nn(C3CCCCC3)cc2C(C)C)nn1,WBEDBQHSULZCNW-UHFFFAOYSA-N
|
| 32914 |
+
rxn:3:56157:18538:89233,Cc1ccc(C2CC2Cn2cc(-c3nn(CCF)cc3C(C)C)nn2)cc1C(=O)Nc1c(C(C)C)ccc2c1CCC2,AWQZIRBJTMPOIL-UHFFFAOYSA-N
|
| 32915 |
+
rxn:3:56157:18809:107237,Cc1ccc(C2CC2Cn2cc(-c3ccnn3C(C)C3CC3)nn2)cc1C(=O)NC(C)c1c(C2CC2)oc2c1CCC2,BZNWFBJIRNOBDV-UHFFFAOYSA-N
|
| 32916 |
+
rxn:3:56158:13955:128497,CCCC(C)c1cn(CC2CC2c2ccc(C(=O)NC3CCCOc4c(C(C)C)ccc(C)c43)c(C)c2)nn1,SIKDMTDIORGQQH-UHFFFAOYSA-N
|
| 32917 |
+
rxn:3:56168:11759:89233,CCN1CCCC1c1cn(CC2CC2c2cc(C)ccc2C(=O)Nc2c(C(C)C)ccc3c2CCC3)nn1,NPLJINHCPMGAQY-UHFFFAOYSA-N
|
| 32918 |
+
rxn:3:56327:18139:136784,Cc1cnc(C(=O)NCCC(C)c2ccc3c(c2)CC(C(C)(C)C)O3)c(C2CC2Cn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)c1,UPKGRTCDKKJQGD-UHFFFAOYSA-N
|
| 32919 |
+
rxn:3:56329:18135:125591,CCn1nc2c(c1-c1cn(CC3CC3c3cnc(C(=O)NCC4COc5cc(C)cc(C(C)C)c5C4)c(C)c3)nn1)CN(C)CC2,KWQZRAVUZGBHDX-UHFFFAOYSA-N
|
| 32920 |
+
rxn:3:56472:18539:121989,CC(CC1CCCO1)NC(=O)c1cc(C2CC2Cn2cc(-c3nn(C4CCCCC4)cc3C(C)C)nn2)c(F)cc1F,OZJMKUNQOOFSIH-UHFFFAOYSA-N
|
| 32921 |
+
rxn:3:56472:28549:138803,Cc1ccc(NC(=O)c2cc(C3CC3Cn3cc(C(C)CC4CCC4)nn3)c(F)cc2F)cc1C(C)C,RZNUHSICFQZEOF-UHFFFAOYSA-N
|
| 32922 |
+
rxn:3:56475:17584:121989,CC(CC1CCCO1)NC(=O)c1cc(F)c(F)cc1C1CC1Cn1cc(-c2cc(C(C)C)n(C3CC3)n2)nn1,JPPCMEPCRCPNDV-UHFFFAOYSA-N
|
| 32923 |
+
rxn:3:56475:18135:125591,CCn1nc2c(c1-c1cn(CC3CC3c3cc(F)c(F)cc3C(=O)NCC3COc4cc(C)cc(C(C)C)c4C3)nn1)CN(C)CC2,BBCRHWKGDNKTPR-UHFFFAOYSA-N
|
| 32924 |
+
rxn:3:56475:18536:121989,CC(CC1CCCO1)NC(=O)c1cc(F)c(F)cc1C1CC1Cn1cc(-c2nn(C3CCC3)cc2C(C)C)nn1,RJRLITDQZZFNEV-UHFFFAOYSA-N
|
| 32925 |
+
rxn:3:56475:2537:121989,CC(CC1CCCO1)NC(=O)c1cc(F)c(F)cc1C1CC1Cn1cc(-c2ccccc2C(C)C)nn1,ZPVXZFRCCWMITR-UHFFFAOYSA-N
|
| 32926 |
+
rxn:3:58129:18812:137496,Cc1ccc(CCCn2cc(-c3ccnn3C(C)C3CCC3)nn2)cc1C(=O)NC(C)c1c(C)oc2c1CCCC2,AIJPJNPBZWBUPX-UHFFFAOYSA-N
|
| 32927 |
+
rxn:3:58130:11759:128497,CCN1CCCC1c1cn(CCCc2ccc(C(=O)NC3CCCOc4c(C(C)C)ccc(C)c43)c(C)c2)nn1,RSOPBIUQEDYAEC-UHFFFAOYSA-N
|
| 32928 |
+
rxn:3:58130:18139:97659,Cc1cc(CCCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)ccc1C(=O)NC1CCCOC1CC(C)C,KHXANFAUMBFPOF-UHFFFAOYSA-N
|
| 32929 |
+
rxn:3:58132:18139:107237,Cc1ccc(C(=O)NC(C)c2c(C3CC3)oc3c2CCC3)cc1CCCn1cc(-c2c3c(nn2C2CCCC2)CCN(C)C3)nn1,RGNWJSCNEZMHLF-UHFFFAOYSA-N
|
| 32930 |
+
rxn:3:58136:18814:127349,Cc1ccc(C(=O)N[C@@H]2CCc3c(C(C)C)cccc32)c(CCCn2cc(-c3ccnn3C(C)C3CCCCC3)nn2)c1,RRIYZQNGZPJKBA-NXDCZNQUSA-N
|
| 32931 |
+
rxn:3:58137:18139:158903,Cc1ccc(CCCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)c(C(=O)NC(C)c2ccc(-c3ccc4c(c3)CCC4)o2)c1,LKKMLEJXWSHYFO-UHFFFAOYSA-N
|
| 32932 |
+
rxn:3:58137:18809:89159,Cc1ccc(CCCn2cc(-c3ccnn3C(C)C3CC3)nn2)c(C(=O)N[C@@H]2CCOc3c(C(C)C)ccc(C)c32)c1,BVDQRADFKQGPEV-HOINCLMKSA-N
|
| 32933 |
+
rxn:3:58137:18814:137496,Cc1ccc(CCCn2cc(-c3ccnn3C(C)C3CCCCC3)nn2)c(C(=O)NC(C)c2c(C)oc3c2CCCC3)c1,JMNYNZOWPABVAX-UHFFFAOYSA-N
|
| 32934 |
+
rxn:3:58137:3068:121989,Cc1ccc(CCCn2cc(C(C)c3cn4c(n3)CCCC4)nn2)c(C(=O)NC(C)CC2CCCO2)c1,PBWWGZVVWVMFGX-UHFFFAOYSA-N
|
| 32935 |
+
rxn:3:58226:18135:136186,CCn1nc2c(c1-c1cn(CCCc3cnc(F)c(C(=O)Nc4c(C(C)C)cc(C)cc4C(C)C)c3)nn1)CN(C)CC2,JZWWXJAKIMOKTK-UHFFFAOYSA-N
|
| 32936 |
+
rxn:3:58226:18814:89233,CC(C)c1ccc2c(c1NC(=O)c1cc(CCCn3cc(-c4ccnn4C(C)C4CCCCC4)nn3)cnc1F)CCC2,YVLCXAQEYHCWOF-UHFFFAOYSA-N
|
| 32937 |
+
rxn:3:58229:18137:127349,CC(C)Cn1nc2c(c1-c1cn(CCCc3cc(C(=O)N[C@@H]4CCc5c(C(C)C)cccc54)c(F)cn3)nn1)CN(C)CC2,NWBLSGXLTKUIJP-SSEXGKCCSA-N
|
| 32938 |
+
rxn:3:58229:18139:129890,CC(C)c1cccc2c1OC[C@H]2NC(=O)c1cc(CCCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)ncc1F,LURLQOJNLNJECO-WJOKGBTCSA-N
|
| 32939 |
+
rxn:3:58229:18139:84183,CC(CNC(=O)c1cc(CCCn2cc(-c3c4c(nn3C3CCCC3)CCN(C)C4)nn2)ncc1F)c1ccc2c(c1)OCCCO2,VZLXKNMMHGADST-UHFFFAOYSA-N
|
| 32940 |
+
rxn:3:58229:18536:128497,Cc1ccc(C(C)C)c2c1C(NC(=O)c1cc(CCCn3cc(-c4nn(C5CCC5)cc4C(C)C)nn3)ncc1F)CCCO2,XLLFKEYNOANZKJ-UHFFFAOYSA-N
|
| 32941 |
+
rxn:3:58229:18541:107292,CC(C)c1cn(C2CCSCC2)nc1-c1cn(CCCc2cc(C(=O)NC(C)c3cccc4c3CCO4)c(F)cn2)nn1,IHHLGUVXUKRPNM-UHFFFAOYSA-N
|
| 32942 |
+
rxn:3:58257:18816:89233,Cc1cc(CCCn2cc(-c3ccnn3C(C)C3CCSCC3)nn2)cnc1C(=O)Nc1c(C(C)C)ccc2c1CCC2,LZTWEQLSHRRYSM-UHFFFAOYSA-N
|
| 32943 |
+
rxn:3:58334:18135:121989,CCn1nc2c(c1-c1cn(CCCc3cc(C)c(C(=O)NC(C)CC4CCCO4)c(C)c3)nn1)CN(C)CC2,CRZRHANCYWXXNP-UHFFFAOYSA-N
|
| 32944 |
+
rxn:3:60078:11759:107237,CCN1CCCC1c1cn(CCn2ccn3nc(C(=O)NC(C)c4c(C5CC5)oc5c4CCC5)cc23)nn1,YBTXPJPYJCXHKA-UHFFFAOYSA-N
|
| 32945 |
+
rxn:3:60078:18135:141372,CCn1nc2c(c1-c1cn(CCn3ccn4nc(C(=O)NC5(c6ccc(OC)c(C(C)C)c6)COC5)cc34)nn1)CN(C)CC2,UANPIEOGNNNDPV-UHFFFAOYSA-N
|
| 32946 |
+
rxn:3:61593:11762:89233,Cc1ccc(OCCn2cc(C3CCCN3CC(C)C)nn2)c(C(=O)Nc2c(C(C)C)ccc3c2CCC3)c1,CSGXMFXEUSKKMA-UHFFFAOYSA-N
|
| 32947 |
+
rxn:3:63534:18139:93352,Cc1ccc(C(=O)N[C@H]2CCOc3c(C(C)C)ccc(C)c32)c(N2CC(Cn3cc(-c4c5c(nn4C4CCCC4)CCN(C)C5)nn3)CC2=O)c1,CCRJOSNRRHNONJ-UWPPNVRMSA-N
|
| 32948 |
+
rxn:3:63534:28549:89233,Cc1ccc(C(=O)Nc2c(C(C)C)ccc3c2CCC3)c(N2CC(Cn3cc(C(C)CC4CCC4)nn3)CC2=O)c1,XBYVUXJCQMIKAL-UHFFFAOYSA-N
|
| 32949 |
+
rxn:3:63598:18536:121989,Cc1ccc(N2CC(Cn3cc(-c4nn(C5CCC5)cc4C(C)C)nn3)CC2=O)cc1C(=O)NC(C)CC1CCCO1,AGGLMUSDPPCUDW-UHFFFAOYSA-N
|
| 32950 |
+
rxn:3:64921:18139:101302,Cc1c(C(C)C)ccc2c1CC(CCNC(=O)c1ccncc1N1CC(Cn3cc(-c4c5c(nn4C4CCCC4)CCN(C)C5)nn3)CC1=O)CO2,GVTKVFCOWOBGBV-UHFFFAOYSA-N
|
| 32951 |
+
rxn:3:65364:11759:76103,CCN1CCCC1c1cn(CC2CC(=O)N(c3cccnc3C(=O)Nc3ccc(C)cc3C(C)C)C2)nn1,HIVBRRRXTIZRRI-UHFFFAOYSA-N
|
| 32952 |
+
rxn:3:65364:11759:89233,CCN1CCCC1c1cn(CC2CC(=O)N(c3cccnc3C(=O)Nc3c(C(C)C)ccc4c3CCC4)C2)nn1,PKHJSMMEGFKWPP-UHFFFAOYSA-N
|
| 32953 |
+
rxn:3:65364:18135:128732,CCn1nc2c(c1-c1cn(CC3CC(=O)N(c4cccnc4C(=O)NCc4cc(C(C)C)c(OC)cc4C)C3)nn1)CN(C)CC2,DJMTWAQQDGQSPU-UHFFFAOYSA-N
|