Added 303 molecules from epoch 17304 for Q4QQW4
Browse files- Q4QQW4_molecules.csv +303 -0
Q4QQW4_molecules.csv
CHANGED
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@@ -34596,3 +34596,306 @@ FB838B5C104CC22F_C6AC74529B938771_6031_UN,CC1=C(SC(=N1)C2=CC(=C(C=C2)F)C)C(=O)OC
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| 34596 |
FCB05401072C4AFB_3DF3FEBB5DC44DD5_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC4=C(C=C3)OCCCO4,JOBJAQZEAYDCTR-UHFFFAOYSA-N
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| 34597 |
FD88DEBA8A1DDEB3_1485B7044FBACC66_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)N[S](=O)(=O)C3=CC(=CS3)C4OCCO4,ZYSSSBXGXDNNAJ-UHFFFAOYSA-N
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| 34598 |
FEA91F57F44C19DB_5203DEBC3D1C3BF8_6035_UN,O(C1(CNC1)C2=C(N=CC=C2)F)C3=C(C=C(C)C=N3)[N](=O)=O,YMENTWKOHUAPOL-UHFFFAOYSA-N
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| 34596 |
FCB05401072C4AFB_3DF3FEBB5DC44DD5_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC4=C(C=C3)OCCCO4,JOBJAQZEAYDCTR-UHFFFAOYSA-N
|
| 34597 |
FD88DEBA8A1DDEB3_1485B7044FBACC66_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)N[S](=O)(=O)C3=CC(=CS3)C4OCCO4,ZYSSSBXGXDNNAJ-UHFFFAOYSA-N
|
| 34598 |
FEA91F57F44C19DB_5203DEBC3D1C3BF8_6035_UN,O(C1(CNC1)C2=C(N=CC=C2)F)C3=C(C=C(C)C=N3)[N](=O)=O,YMENTWKOHUAPOL-UHFFFAOYSA-N
|
| 34599 |
+
rxn:1:11737:62271,CC(CC(=O)O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,SJOLOJISJFDLGV-UHFFFAOYSA-N
|
| 34600 |
+
rxn:1:12200:54776,CO[C@@H]1CN(S(C)(=O)=O)C[C@@H]1c1cn(CCC2C(c3cnc(N4CCCC4)nc3)C2(F)F)nn1,LONDDCNGQYPEIM-JCJXWUGKSA-N
|
| 34601 |
+
rxn:1:16598:59582,COc1cc(OC)cc(-n2ncc(-c3cn(-c4ccc(C=C(F)B5OC(C)(C)C(C)(C)O5)cc4)nn3)c2C2CCCC2)c1,SOSGDJJXGHMNGQ-UHFFFAOYSA-N
|
| 34602 |
+
rxn:1:17323:59833,CC(C)c1ccc(O)c(-n2nc(-c3cn(S(=O)(=O)NC45CC6CC(CC(C6)C4)C5)nn3)cc2C2CC2)c1,HOVLKEZHWUBTFP-UHFFFAOYSA-N
|
| 34603 |
+
rxn:1:17727:60331,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(C3CCCCC3)n(C3CCCS(=O)(=O)C3)n2)nn1,RDPVLEBTTHAAPF-UHFFFAOYSA-N
|
| 34604 |
+
rxn:1:18122:48236,CC(C)(C)OC(=O)N1CCc2nn(C3CCOC3)c(-c3cn(CC(O)C(O)c4c[nH]c5ncc(Br)cc45)nn3)c2C1,PEMSYKYVQQIZEP-UHFFFAOYSA-N
|
| 34605 |
+
rxn:1:18542:60331,CC(C)c1cn(C2CCS(=O)(=O)CC2)nc1-c1cn(C(C)(C)C2c3ccccc3OCC3=CNNN32)nn1,DDWOBEYDRWAIRJ-UHFFFAOYSA-N
|
| 34606 |
+
rxn:1:20217:60296,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cc(C(C)C)nn3C(C)C3CCSCC3)nn2)s1,OYWYQNVIKDNRJJ-UHFFFAOYSA-N
|
| 34607 |
+
rxn:1:20526:59582,COc1ccc(C(C)n2nc(C3CC3)cc2-c2cn(-c3ccc(C=C(F)B4OC(C)(C)C(C)(C)O4)cc3)nn2)c(O)c1,OIXDBXXMTVAZQH-UHFFFAOYSA-N
|
| 34608 |
+
rxn:1:20609:62297,CC(c1c(F)cccc1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,FITFRBPGTYIHQE-UHFFFAOYSA-N
|
| 34609 |
+
rxn:1:2065:59616,CC1(C)OB(C(F)=C(Cn2cc(CC(=O)CC3CNC3)nn2)c2cccs2)OC1(C)C,LIEVECLIUNLHCF-UHFFFAOYSA-N
|
| 34610 |
+
rxn:1:20836:60296,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cc(C4CCC4)nn3C(C)C3(C)CC3)nn2)s1,CBBDYRIKIACCNK-UHFFFAOYSA-N
|
| 34611 |
+
rxn:1:20854:50323,CC(C1CCCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,URAPQABOQPSWDM-UHFFFAOYSA-N
|
| 34612 |
+
rxn:1:20856:59228,CC(C1CCSCC1)n1nc(C2CCC2)cc1-c1cn(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1,BRKASKGFYLINGJ-UHFFFAOYSA-N
|
| 34613 |
+
rxn:1:20867:61601,CC(C)C(c1ccc(F)cc1)n1nc(C2CCC2)cc1-c1cn(C2CC(C)(C)N(O)C(C)(C)C2)nn1,QPGCNBNVPXOLIJ-UHFFFAOYSA-N
|
| 34614 |
+
rxn:1:21121:51343,CCC(c1ccc(C)cc1C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,JHBKGLKRNAXDLQ-UHFFFAOYSA-N
|
| 34615 |
+
rxn:1:21129:51343,CCC(c1ccc(C)c(C)c1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,QVDTZEYZJWLULM-UHFFFAOYSA-N
|
| 34616 |
+
rxn:1:21135:51343,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,WDNRHOZPTOKQFI-UHFFFAOYSA-N
|
| 34617 |
+
rxn:1:21152:50324,CC(C1CCC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,KVZFTABNIJFLQZ-UHFFFAOYSA-N
|
| 34618 |
+
rxn:1:21155:49969,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccc3c(c2)S(=O)(=O)C(c2ccccc2)=C3N)nn1,RVZDNVFCLLNSDP-UHFFFAOYSA-N
|
| 34619 |
+
rxn:1:21155:51459,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])c4cnccc34)C2(F)F)nn1,QSZKOHIRPNYCTG-UHFFFAOYSA-N
|
| 34620 |
+
rxn:1:21155:60477,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)nn1,VOUVHLHOICMXHW-UHFFFAOYSA-N
|
| 34621 |
+
rxn:1:21155:60482,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccccc2C(F)(F)c2nc3cc(C(=O)O)ccc3[nH]2)nn1,QHSVUXPVXVJNLJ-UHFFFAOYSA-N
|
| 34622 |
+
rxn:1:21155:60483,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4cc(C(=O)O)ccc4[nH]3)c2)nn1,CRMQQLMATAIZNI-UHFFFAOYSA-N
|
| 34623 |
+
rxn:1:21155:60539,COC(=O)c1ccc2[nH]c(C(F)(F)c3cccc(-n4cc(-c5cc(C6CCCCC6)nn5C(C)C5CCCCC5)nn4)c3)nc2c1,ABOXRPLUXPHTQQ-UHFFFAOYSA-N
|
| 34624 |
+
rxn:1:21157:49969,CC(C1CCSCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccc3c(c2)S(=O)(=O)C(c2ccccc2)=C3N)nn1,GACXOLBEZYZCHK-UHFFFAOYSA-N
|
| 34625 |
+
rxn:1:21157:59070,CC(C1CCSCC1)n1nc(C2CCCCC2)cc1-c1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nn1,KPQCHFBHGMEINT-UHFFFAOYSA-N
|
| 34626 |
+
rxn:1:21218:60296,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cc(C4CCCCC4)nn3C(C)c3ccc(O)cc3F)nn2)s1,GFOJSNQXZNPQBM-UHFFFAOYSA-N
|
| 34627 |
+
rxn:1:21337:60643,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCCC5)nn4Cc4cccc(O)c4Br)nn3)C2)nc1C,NICQANVSGIRUTD-UHFFFAOYSA-N
|
| 34628 |
+
rxn:1:21352:60643,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCCC5)nn4Cc4cccc(O)c4Cl)nn3)C2)nc1C,BJZKNZFICFUAQQ-UHFFFAOYSA-N
|
| 34629 |
+
rxn:1:21354:60643,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCCC5)nn4Cc4cc(O)ccc4Cl)nn3)C2)nc1C,ALOWOKCDJKEUGO-UHFFFAOYSA-N
|
| 34630 |
+
rxn:1:21955:54836,CC(n1nc(C2CCCC2)cc1-c1cn(CCC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1)C1(C)CC1,ZXADPQRWBYCRFI-UHFFFAOYSA-N
|
| 34631 |
+
rxn:1:21975:54836,CC(C1CCC1)n1nc(C2CCCC2)cc1-c1cn(CCC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,QVCGJGRTOMLYRM-UHFFFAOYSA-N
|
| 34632 |
+
rxn:1:22838:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cncc(-n3nc(C4CCCC4)c(I)c3Br)c2)nn1,LDLRMNGQWQNSIL-UHFFFAOYSA-N
|
| 34633 |
+
rxn:1:22840:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cncc(-n3nc(C4CCCC4)c(Br)c3I)c2)nn1,FHSDFAYIASIDIG-UHFFFAOYSA-N
|
| 34634 |
+
rxn:1:22984:49465,Cc1ccc(S(=O)(=O)N2CCC(n3cc([C@H]4CC[C@@H](O[Si](C)(C)C(C)(C)C)CC4)nn3)CC2)s1,BQDTXWAUMIIYPO-TYKWCNGQSA-N
|
| 34635 |
+
rxn:1:23661:65241,CN1C[C@H](C(=O)NCc2cn(C(CC3CCCCC3)c3ncccn3)nn2)C=C2c3cccc4[nH]cc(c34)C[C@H]21,GAAHQOMTMIRFOZ-LFMYWMKYSA-N
|
| 34636 |
+
rxn:1:23663:48563,CN(Cc1cn(-c2nc3nnnn3c3sc4c(c23)CC(C)(C)N(C)C4)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,RMFCOERIKQESOB-WAIKUNEKSA-N
|
| 34637 |
+
rxn:1:23796:64948,CC1(C)OB(c2cnn(C3(c4cn(CCOS(C)(=O)=O)nn4)CCNCC3)c2)OC1(C)C,NDZJBKTYAJSCKI-UHFFFAOYSA-N
|
| 34638 |
+
rxn:1:23812:59593,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6cncn6)CCS(=O)(=O)CC5)nn4)o3)C2)OC1(C)C,FHBGMBNZROBPHF-UHFFFAOYSA-N
|
| 34639 |
+
rxn:1:23812:59594,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6cncn6)CCS(=O)(=O)CC5)nn4)s3)CC2)OC1(C)C,ARNAZGXAOWLBHR-UHFFFAOYSA-N
|
| 34640 |
+
rxn:1:23812:59595,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6cncn6)CCS(=O)(=O)CC5)nn4)s3)C2)OC1(C)C,FRKNKJSCVDAEQU-UHFFFAOYSA-N
|
| 34641 |
+
rxn:1:23821:59593,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6ccnn6)CCS(=O)(=O)CC5)nn4)o3)C2)OC1(C)C,INJYESHLZHHJEP-UHFFFAOYSA-N
|
| 34642 |
+
rxn:1:23821:59594,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6ccnn6)CCS(=O)(=O)CC5)nn4)s3)CC2)OC1(C)C,UCCSPVJPKPKNIQ-UHFFFAOYSA-N
|
| 34643 |
+
rxn:1:23821:59595,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C5(n6ccnn6)CCS(=O)(=O)CC5)nn4)s3)C2)OC1(C)C,ZLZHSFSGOSSBLL-UHFFFAOYSA-N
|
| 34644 |
+
rxn:1:24186:47101,Nc1ncc(C(O)C(O)Cn2cc(CN3CN4CNCC([N+](=O)[O-])(C4)C3)nn2)cc1O,PPUYQYZFPPXLOI-UHFFFAOYSA-N
|
| 34645 |
+
rxn:1:24186:47404,CSc1ncc(C(O)C(O)Cn2cc(CN3CN4CNCC([N+](=O)[O-])(C4)C3)nn2)c(O)n1,QIPHKGQOYGVWBX-UHFFFAOYSA-N
|
| 34646 |
+
rxn:1:24186:48731,Nc1ncc(C(O)C(O)CCn2cc(CN3CN4CNCC([N+](=O)[O-])(C4)C3)nn2)cc1O,VJKPONQMINOWAS-UHFFFAOYSA-N
|
| 34647 |
+
rxn:1:2516:62271,CS(=O)(=O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,GIIFVBDDMZHPNO-UHFFFAOYSA-N
|
| 34648 |
+
rxn:1:2654:49279,CC(C)(C)OC(=O)NC1(c2cn(CCC(O)C(O)c3c[nH]c4nccc(Cl)c34)nn2)CCOC1,ABBCTIYXLZDJIJ-UHFFFAOYSA-N
|
| 34649 |
+
rxn:1:2654:49281,CC(C)(C)OC(=O)NC1(c2cn(CCC(O)C(O)c3c[nH]c4ncc(Br)cc34)nn2)CCOC1,IELWXUQQVBBYIF-UHFFFAOYSA-N
|
| 34650 |
+
rxn:1:26637:59617,CC1(C)OB(C(F)=C(Cn2cc(C3CC(=O)N(c4ccc5[nH]c(=O)[nH]c5c4)C3)nn2)c2ccsc2)OC1(C)C,SYKWUHFAFSNVCK-UHFFFAOYSA-N
|
| 34651 |
+
rxn:1:28684:59595,COC1CNC(c2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)C4)s3)nn2)C1,GHPPPMNHUTZIRH-UHFFFAOYSA-N
|
| 34652 |
+
rxn:1:29090:59430,COC(=O)c1cc(=O)oc2ccc(-n3cc(-c4cc(N5CCC(=C(F)B6OC(C)(C)C(C)(C)O6)CC5)ncn4)nn3)cc12,LEQJVWWNAMJOFN-UHFFFAOYSA-N
|
| 34653 |
+
rxn:1:30988:59354,CC(C)(C)OC(=O)N1CCOC2(CC(c3cn(CCCCc4c[nH]c5nccc(Cl)c45)nn3)C2)C1,VQOHMTJUCQWIOG-UHFFFAOYSA-N
|
| 34654 |
+
rxn:1:30998:43713,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC#Cc3c[nH]c4ncc(Br)cc34)nn1)C2,MFACYRDXZDDCGG-SMQSCJQKSA-N
|
| 34655 |
+
rxn:1:30998:59355,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CCCCc3c[nH]c4ncc(Br)cc34)nn1)C2,CKHHWWMNDMCCOQ-HMRCJKRNSA-N
|
| 34656 |
+
rxn:1:31890:59906,CC(C)(C)OC(=O)N1CCC(CF)(c2cn(Cc3c(C4CCC4)nn4cc[nH]c34)nn2)CC1,PCASWTOTMPXBHB-UHFFFAOYSA-N
|
| 34657 |
+
rxn:1:31968:48563,CN1Cc2sc3c(c(-n4cc(N(CC5COC(C)(C)O5)S(C)(=O)=O)nn4)nc4nnnn43)c2CC1(C)C,WBULXMBQJVXGSJ-UHFFFAOYSA-N
|
| 34658 |
+
rxn:1:31968:63771,Cc1ccc(-c2csc(N3CC(Cn4cc(N(CC5COC(C)(C)O5)S(C)(=O)=O)nn4)CC3=O)n2)s1,YJRGWPJKAYMGRU-UHFFFAOYSA-N
|
| 34659 |
+
rxn:1:31968:64971,CC1(C)OCC(CN(c2cn(CC3CC(=O)N(c4nc(Cl)c5[nH]cnc5n4)C3)nn2)S(C)(=O)=O)O1,KTDXOHHDDFYQSV-UHFFFAOYSA-N
|
| 34660 |
+
rxn:1:3218:62398,CC(C)(C)OC(=O)N[C@H]1C[C@@H](n2cc(CCN3CCN(c4ncnc5ccc(Br)cc45)CC3)nn2)C1,AUCWWVWHCJUIDL-BGYRXZFFSA-N
|
| 34661 |
+
rxn:1:32419:44738,CC(=O)c1cc(C#CCCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)ccc1Cl,GULNHJIFTFFEJQ-UHFFFAOYSA-N
|
| 34662 |
+
rxn:1:32419:44739,CC(=O)c1cc(C#CCCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)ccc1F,SAYSVUZTARPLDE-UHFFFAOYSA-N
|
| 34663 |
+
rxn:1:32419:48382,COc1ccc2nc(Cl)c(C(O)C(O)Cn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)cc2c1,DHJJLVRODDRQPI-UHFFFAOYSA-N
|
| 34664 |
+
rxn:1:32997:48814,Nc1ncnc2c1ncn2C1CC(n2cc(C3(NS(=O)(=O)c4cc(Cl)ccc4Cl)CCCCC3)nn2)C(CO)O1,CPFRDPGGNJDCNP-UHFFFAOYSA-N
|
| 34665 |
+
rxn:1:33319:42543,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC#Cc2cnc(Cl)c(C#N)c2)nn1,CIJXSOJLRFNJOM-UHFFFAOYSA-N
|
| 34666 |
+
rxn:1:33319:49281,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC(O)C(O)c2c[nH]c3ncc(Br)cc23)nn1,ISLGBIAYPGHNQE-UHFFFAOYSA-N
|
| 34667 |
+
rxn:1:33319:49536,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3sccc3C)C2(F)F)nn1,CUSWMKXMZGSTBO-UHFFFAOYSA-N
|
| 34668 |
+
rxn:1:33319:54262,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3ccc4[nH]ncc4c3)C2(F)F)nn1,LIUMZCSIFHEGGQ-UHFFFAOYSA-N
|
| 34669 |
+
rxn:1:33319:54271,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3ccc4cn[nH]c4c3)C2(F)F)nn1,QSQLPDILPNSTRZ-UHFFFAOYSA-N
|
| 34670 |
+
rxn:1:33319:55411,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC2c2c(C)ccnc2Cl)nn1,KEWHNBUPWYWOLB-UHFFFAOYSA-N
|
| 34671 |
+
rxn:1:33772:53145,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)nc2)CC1,JZSDUERZQGZRDJ-WSUVESLISA-N
|
| 34672 |
+
rxn:1:3804:59833,O=C(NC1CC1)c1ccnc(-c2cn(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c1,DNZPXQCITNHEAA-UHFFFAOYSA-N
|
| 34673 |
+
rxn:1:41074:13128,CC(C)(C)OC(=O)c1cc(-n2cc(-c3cccc(C(=O)N4CCC(N5CCOCC5)CC4)c3)nn2)ccn1,OCNVCUCFNMOJJU-UHFFFAOYSA-N
|
| 34674 |
+
rxn:1:42863:30350,CN1CC2(CCCN(Cc3ccn4ccnc4c3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC#Cc3ccc(S(C)(=O)=O)cc3)nn1)CC2,NAJMVZKCSXVRCD-UHFFFAOYSA-N
|
| 34675 |
+
rxn:1:4338:64243,C=C(C)Cn1c(SCc2cn(CC3CC(=O)N(Cc4cnc5[nH]ccc5c4)C3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,PYEWVRGAUVOAHA-UHFFFAOYSA-N
|
| 34676 |
+
rxn:1:43447:9460,O=C(O)C1CSC(c2cc(Br)ccc2OCc2cn(CC#Cc3ccc(N4CCNCC4)cc3)nn2)N1,RDHDLLZQPRBDRK-UHFFFAOYSA-N
|
| 34677 |
+
rxn:1:436:49340,CC(C)(C)OC(=O)N1CCCN([C@@H]2COC[C@@H]2n2cc(-c3ccnc4ccc(Cl)cc34)nn2)CC1,BFESTTIYEWIVNB-PKTZIBPZSA-N
|
| 34678 |
+
rxn:1:43818:2170,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cn(CCC#Cc3cc(N)[nH]n3)nn2)cc1,ZDBVZJIXKNFCOC-UHFFFAOYSA-N
|
| 34679 |
+
rxn:1:44103:758,CC(NC1CCN(Cc2cn(CCC#Cc3ncc([N+](=O)[O-])s3)nn2)CC1)C12CC3CC(CC(O)(C3)C1)C2,AQGOYASXWSGCCD-UHFFFAOYSA-N
|
| 34680 |
+
rxn:1:44664:8677,CC(c1cn(CCC#Cc2ccc3nc(Cl)sc3c2)nn1)N1CCCN(C(=O)OC(C)(C)C)CC1,CITYQGSSVNCSBJ-UHFFFAOYSA-N
|
| 34681 |
+
rxn:1:46572:11182,O=C(CC1CCS(=O)(=O)CC1)Nc1cccc(-c2cn(CCC=Cc3cnc(N4CCCC4)nc3)nn2)c1,XOOBPFSQTMUMNV-UHFFFAOYSA-N
|
| 34682 |
+
rxn:1:46908:33220,Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)ccc1-c1cn(CC(O)C(O)c2ncccc2C)nn1,QSZOJDAQUBXQSS-UHFFFAOYSA-N
|
| 34683 |
+
rxn:1:46951:34096,Cc1ccc(C(=O)NC2CCC(C(C)(C)C)CC2)cc1-c1cn(CC(O)C(O)c2c(C)cccc2F)nn1,JQOJKQHCYLKTOJ-UHFFFAOYSA-N
|
| 34684 |
+
rxn:1:46977:34096,Cc1ccc(C(=O)NC2CCC(C(C)(C)C)CC2)cc1-c1cn(CC(O)C(O)c2ccc(Cl)cc2Cl)nn1,PVRSKUMMSSKRGJ-UHFFFAOYSA-N
|
| 34685 |
+
rxn:1:46984:33220,Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)ccc1-c1cn(CC(O)C(O)c2cc(Cl)ccc2F)nn1,ZPRLVYFJFTZDQT-UHFFFAOYSA-N
|
| 34686 |
+
rxn:1:46984:34096,Cc1ccc(C(=O)NC2CCC(C(C)(C)C)CC2)cc1-c1cn(CC(O)C(O)c2cc(Cl)ccc2F)nn1,SYJPRMJLWBLRJA-UHFFFAOYSA-N
|
| 34687 |
+
rxn:1:47567:18123,CC(C)(C)OC(=O)N1CCc2nn(C3CCCSC3)c(-c3cn(CC(O)C(O)c4cnc5cc[nH]c5c4)nn3)c2C1,AZLUFCPQLFVTTF-UHFFFAOYSA-N
|
| 34688 |
+
rxn:1:47746:16742,Cc1cc(C(F)(F)F)ccc1-n1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)nn2)c1C1CCCCC1,WJUGHWOMVHKMEQ-UHFFFAOYSA-N
|
| 34689 |
+
rxn:1:48040:23877,Nc1ncnc2ccc(C(O)C(O)Cn3cc(COc4c(Cl)cc(C5C6=C(CCCC6=O)NC6=C5C(=O)CCC6)cc4Cl)nn3)cc12,WTYCQTJSJLFXIE-UHFFFAOYSA-N
|
| 34690 |
+
rxn:1:48058:34357,CC(C)(C)CC(=O)Nc1ncc(Br)cc1-c1cn(CC(O)C(O)c2ccc(N3CCNCC3)cc2)nn1,ZMBADGQJJDUJSO-UHFFFAOYSA-N
|
| 34691 |
+
rxn:1:48203:33220,Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)ccc1-c1cn(CC(O)C(O)c2cc(F)ncc2C)nn1,SQVOWCUPTVZCLK-UHFFFAOYSA-N
|
| 34692 |
+
rxn:1:48569:34096,Cc1ccc(C(=O)NC2CCC(C(C)(C)C)CC2)cc1-c1cn(CCC(O)C(O)c2ccncc2Cl)nn1,HQFPNZNYFYLJHT-UHFFFAOYSA-N
|
| 34693 |
+
rxn:1:48570:9044,CC1(C)CC(n2c(SCc3cn(CCC(O)C(O)c4ccncc4F)nn3)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1,JSJAUWWRHLDPQP-UHFFFAOYSA-N
|
| 34694 |
+
rxn:1:49126:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC(O)C(O)c4cc5ccccc5nc4Cl)nn3)nc2)CC1,OICIIOMHEYFQAN-XTIBUIFISA-N
|
| 34695 |
+
rxn:1:49460:16959,Cc1nc(S(=O)(=O)N2CCC(n3cc(-c4cnn(C5CCS(=O)(=O)CC5)c4CC4CCCC4)nn3)CC2)cn1C,MBKPZMWASJNPBF-UHFFFAOYSA-N
|
| 34696 |
+
rxn:1:49460:17672,Cc1nc(S(=O)(=O)N2CCC(n3cc(-c4cc(CC(C)C)n(C5CCS(=O)(=O)CC5)n4)nn3)CC2)cn1C,LGJKNYIWVJDADN-UHFFFAOYSA-N
|
| 34697 |
+
rxn:1:49460:17712,Cc1nc(S(=O)(=O)N2CCC(n3cc(-c4cc(CC5CCCC5)n(C5CCS(=O)(=O)CC5)n4)nn3)CC2)cn1C,BXOGFMSOGHRMSO-UHFFFAOYSA-N
|
| 34698 |
+
rxn:1:49461:16959,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cnn(C5CCS(=O)(=O)CC5)c4CC4CCCC4)nn3)CC2)nc1C,SRJPJCHKIRMIMX-UHFFFAOYSA-N
|
| 34699 |
+
rxn:1:49461:17642,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCC5)n(C5CCCS(=O)(=O)C5)n4)nn3)CC2)nc1C,DXEIRNJOXOPVIC-UHFFFAOYSA-N
|
| 34700 |
+
rxn:1:49461:17672,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(CC(C)C)n(C5CCS(=O)(=O)CC5)n4)nn3)CC2)nc1C,HZEFUVJDBKKWMU-UHFFFAOYSA-N
|
| 34701 |
+
rxn:1:49461:17685,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(CC5CC5)n(C5CCCS(=O)(=O)C5)n4)nn3)CC2)nc1C,YNZUXBFKVOPDAL-UHFFFAOYSA-N
|
| 34702 |
+
rxn:1:49461:17712,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(CC5CCCC5)n(C5CCS(=O)(=O)CC5)n4)nn3)CC2)nc1C,CJTLZSFFZJSHFO-UHFFFAOYSA-N
|
| 34703 |
+
rxn:1:49461:17727,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4cc(C5CCCCC5)n(C5CCCS(=O)(=O)C5)n4)nn3)CC2)nc1C,CZZXZLKLPPHMHH-UHFFFAOYSA-N
|
| 34704 |
+
rxn:1:49461:23795,CCn1cc(S(=O)(=O)N2CCC(n3cc(C4(n5cc(B6OC(C)(C)C(C)(C)O6)cn5)CCS(=O)(=O)CC4)nn3)CC2)nc1C,UMBAKSGQRGQOGQ-UHFFFAOYSA-N
|
| 34705 |
+
rxn:1:49461:29883,CCn1cc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CC[C@H]5C[C@@H]4C(=O)NCCCN(Cc4ccn6ccnc6c4)CCOc4ccccc45)nn3)CC2)nc1C,GBJZULNITGBCMD-BFGHFXMOSA-N
|
| 34706 |
+
rxn:1:49469:8436,COc1ccccc1S(=O)(=O)N1CCC(n2cc(C(=O)N3CCCC(c4ccnc(Nc5nc(C)cc(C)n5)c4)C3)nn2)CC1,WVHANGXTRBHSSO-UHFFFAOYSA-N
|
| 34707 |
+
rxn:1:49558:33220,Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)ccc1-c1cn(CC2C(c3ccnn3C)C2(F)F)nn1,BONVJEXIBYDQSI-UHFFFAOYSA-N
|
| 34708 |
+
rxn:1:49658:31846,CSc1nc(N2CCN(c3ccccc3)CC2)cc(-n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nn2)n1,YCFSEMKVNCJLBR-UHFFFAOYSA-N
|
| 34709 |
+
rxn:1:49706:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4C(c5cnccc5O)C4(F)F)nn3)nc2)CC1,BGAUORQUSFXVRL-WIXFEWFXSA-N
|
| 34710 |
+
rxn:1:50323:21135,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,KSDMYFOPTAKKBK-UHFFFAOYSA-N
|
| 34711 |
+
rxn:1:50323:21956,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,YAQRNCWUYCIMGG-UHFFFAOYSA-N
|
| 34712 |
+
rxn:1:50323:21976,CC(C1CCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,GVQGKGFSKJLHON-UHFFFAOYSA-N
|
| 34713 |
+
rxn:1:50324:21135,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,UEZYBECBGMGECE-UHFFFAOYSA-N
|
| 34714 |
+
rxn:1:50324:21956,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,VCQBZINOGICKQI-UHFFFAOYSA-N
|
| 34715 |
+
rxn:1:50332:19979,CCOc1ncc(C2C(Cn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,DYWGXMLZUKXVST-UHFFFAOYSA-N
|
| 34716 |
+
rxn:1:50444:31968,CC1(C)OCC(CN(c2cn(CC3C(c4ccc(S(N)(=O)=O)s4)C3(F)F)nn2)S(C)(=O)=O)O1,BJAIUZXWRKYDJW-UHFFFAOYSA-N
|
| 34717 |
+
rxn:1:50504:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ccc4[nH]ncc4c3)C2(F)F)nn1,KZVVFOCXDOCEGL-UHFFFAOYSA-N
|
| 34718 |
+
rxn:1:50610:18122,CC(C)(C)OC(=O)N1CCc2nn(C3CCOC3)c(-c3cn(CC4C(c5cccc6c5NC(=O)C6)C4(F)F)nn3)c2C1,HGCBFZMFHUBXSY-UHFFFAOYSA-N
|
| 34719 |
+
rxn:1:50779:21977,CC(C1CCCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cnc(Cl)c([N+](=O)[O-])c3)C2(F)F)nn1,YUWNTAACYTUHDD-UHFFFAOYSA-N
|
| 34720 |
+
rxn:1:50809:20696,CN(C)C(=O)NC1(c2cn(CC3C(c4ccc(C(=O)NN)cc4)C3(F)F)nn2)CCCCC1,MCTOGZUQMNCALY-UHFFFAOYSA-N
|
| 34721 |
+
rxn:1:51250:33220,Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)ccc1-c1cn(CC2C(c3ccc4cccnc4c3C)C2(F)F)nn1,SCKJHNOJCULKEW-UHFFFAOYSA-N
|
| 34722 |
+
rxn:1:51273:2170,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cn(CC3C(c4cnc(N5CCCC5)nc4)C3(F)F)nn2)cc1,ZSVNUMIQVZSPDH-UHFFFAOYSA-N
|
| 34723 |
+
rxn:1:51305:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)c2C1,QUSMYANPGMKKIB-UHFFFAOYSA-N
|
| 34724 |
+
rxn:1:51306:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c2C1,MZVATEUZJCSQGW-UHFFFAOYSA-N
|
| 34725 |
+
rxn:1:51335:3841,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4ccc(N5CCOCC5)cc4)C3(F)F)nn2)CNC1,KZDJRNRJZHMWIU-UHFFFAOYSA-N
|
| 34726 |
+
rxn:1:51458:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5C(c6ccc([N+](=O)[O-])c7cccnc67)C5(F)F)nn4)ncn3)CC2)OC1(C)C,AASZGFSNTLDFKQ-UHFFFAOYSA-N
|
| 34727 |
+
rxn:1:51464:18122,CC(C)(C)OC(=O)N1CCc2nn(C3CCOC3)c(-c3cn(CC(O)c4cncc(F)c4)nn3)c2C1,LRDFLRVSYVFXFE-UHFFFAOYSA-N
|
| 34728 |
+
rxn:1:51467:31722,COC(=O)c1cc(C2C(Cn3cc(C4CC5(CC(NC(=O)OC(C)(C)C)C5)C4)nn3)C2(F)F)cc2[nH]ccc12,BZOASILVKQGFIR-UHFFFAOYSA-N
|
| 34729 |
+
rxn:1:51473:32419,COc1ccc2nc(Cl)c(C3C(Cn4cc(CSC5=NC(=CN(C)C)C(=O)N5)nn4)C3(F)F)cc2c1,BLFRBWSNQHUSAT-UHFFFAOYSA-N
|
| 34730 |
+
rxn:1:51482:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ccc4[nH]c5c(c4c3)CCCC5)C2(F)F)nn1,WAUMVHJAZDCTPY-UHFFFAOYSA-N
|
| 34731 |
+
rxn:1:51482:35140,CCC(C)(NC(=O)C1CCc2ccc(Br)cc21)c1cn(CC2C(c3ccc4[nH]c5c(c4c3)CCCC5)C2(F)F)nn1,KVWBXNNMWCEXGQ-UHFFFAOYSA-N
|
| 34732 |
+
rxn:1:51590:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2sccc2Cl)nn1,PJFUPFGFCGIFCR-UHFFFAOYSA-N
|
| 34733 |
+
rxn:1:51591:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2sccc2Br)nn1,RWBGPWIZKKFHNF-UHFFFAOYSA-N
|
| 34734 |
+
rxn:1:51618:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2nc(Br)cs2)nn1,RRFSYGHEKXGZHD-UHFFFAOYSA-N
|
| 34735 |
+
rxn:1:51712:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cccnc2Cl)nn1,MIEZQMHBOMYURD-UHFFFAOYSA-N
|
| 34736 |
+
rxn:1:51733:18102,Cc1cn(C2CC(n3cc(-c4c5c(nn4C4CCCS(=O)(=O)C4)CCN(CC(F)(F)F)C5)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,YJANUUSANGGFSM-UHFFFAOYSA-N
|
| 34737 |
+
rxn:1:51733:18104,Cc1cn(C2CC(n3cc(-c4c5c(nn4C4CCS(=O)(=O)C4)CCN(CC(F)(F)F)C5)nn3)C(CO)O2)c(=O)nc1N1CCOCC1,JBECKJPXRKJMOV-UHFFFAOYSA-N
|
| 34738 |
+
rxn:1:51907:7205,CC(C)(C)OC(=O)N1CC(C)(C)C1Cn1cc(-c2cccc(OCC3CCCNC3)n2)nn1,FRNMSAJDQRVKOR-UHFFFAOYSA-N
|
| 34739 |
+
rxn:1:51950:33007,Cc1cc(C(=O)Nc2cc(F)cc(F)c2F)ccc1-c1cn(C2CC(n3cc(C)c(N4CCCCC4)nc3=O)OC2CO)nn1,OYFQMLWZQSKKTD-UHFFFAOYSA-N
|
| 34740 |
+
rxn:1:51950:33188,CCc1cccc(C(=O)Nc2ncc(Br)nc2-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)c1,YUTKGGPOVYDIMF-UHFFFAOYSA-N
|
| 34741 |
+
rxn:1:51950:35259,Cc1ccc(C(=O)Nc2ccc(F)c(C)c2F)cc1-c1cn(C2CC(n3cc(C)c(N4CCCCC4)nc3=O)OC2CO)nn1,OLTUJWFFDRTDQL-UHFFFAOYSA-N
|
| 34742 |
+
rxn:1:51992:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cnc(Cl)nc4Cl)nn3)nc2)CC1,WERQISWROFYAKH-WSUVESLISA-N
|
| 34743 |
+
rxn:1:51993:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4c(Cl)ncnc4Cl)nn3)nc2)CC1,SJDOGNVMLIFHOW-WSUVESLISA-N
|
| 34744 |
+
rxn:1:52387:10953,CSc1ncc(C2CC2CCn2cc(CN(C3CCCCC3C)S(C)(=O)=O)nn2)c(O)n1,QFFALXDLOOTEGV-UHFFFAOYSA-N
|
| 34745 |
+
rxn:1:52488:32997,O=C(O)c1cccc(C2CC2CCn2cc(C3(NS(=O)(=O)c4cc(Cl)ccc4Cl)CCCCC3)nn2)n1,NCFHNVWAHRLITC-UHFFFAOYSA-N
|
| 34746 |
+
rxn:1:52570:18124,CC(C)(C)OC(=O)N1CCc2nn(C3CCCS(=O)(=O)C3)c(-c3cn(CCC4CC4c4c[nH]c5ncccc45)nn3)c2C1,FLPNQCKRIMSXCM-UHFFFAOYSA-N
|
| 34747 |
+
rxn:1:52637:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CCC4CC4c4c[nH]c5cc(Br)ccc45)nn3)c2C1,UCEOEAIJRHYOIS-UHFFFAOYSA-N
|
| 34748 |
+
rxn:1:52822:21361,O=[N+]([O-])c1cc(C2CC2CCn2cc(-c3cc(C4CCCCC4)nn3Cc3ccc(C(F)(F)F)cc3Br)nn2)cnc1O,PFRZQOQFFCDTAZ-UHFFFAOYSA-N
|
| 34749 |
+
rxn:1:53173:33746,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(CCC2CC2c2ccc(N3CCNCC3)cc2)nn1,GKZXKFSFDMEBGI-UHFFFAOYSA-N
|
| 34750 |
+
rxn:1:53195:11158,CC1CCCCC1N(Cc1cn(CCC2CC2c2cc(Cl)c3cccnc3c2O)nn1)S(=O)(=O)c1ccc(Cl)cc1,KZYOZVMAYQLZGN-UHFFFAOYSA-N
|
| 34751 |
+
rxn:1:53209:21446,Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2n1cc(-c2cc(CC(C)C)nn2C(C)C2CCCOC2)nn1,HFBXSEOBSKDUSL-UHFFFAOYSA-N
|
| 34752 |
+
rxn:1:53485:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3cccnc3C)C2(F)F)nn1,DGFFHQVBCMGXCD-UHFFFAOYSA-N
|
| 34753 |
+
rxn:1:53719:19979,CC(C)n1cc(C2C(CCn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,TYBNMLQAGHBHEK-UHFFFAOYSA-N
|
| 34754 |
+
rxn:1:53747:16737,CN(C)Cc1cnn(-c2ccc(-c3cn(CCC4C(c5cn[nH]c5C(=O)O)C4(F)F)nn3)cc2)c1C1CCCCC1,JWVDQQSRDIOAMR-UHFFFAOYSA-N
|
| 34755 |
+
rxn:1:53747:33235,Cc1ccc(C(=O)NCC2CCCOC2)cc1-c1cn(CCC2C(c3cn[nH]c3C(=O)O)C2(F)F)nn1,OFKNDOZUGLNZJH-UHFFFAOYSA-N
|
| 34756 |
+
rxn:1:54286:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CCC4C(c5cnc6[nH]ncc6c5)C4(F)F)nn3)c2C1,RQGLPDXZYIHYRF-UHFFFAOYSA-N
|
| 34757 |
+
rxn:1:54363:18122,CC(C)(C)OC(=O)N1CCc2nn(C3CCOC3)c(-c3cn(CCC4C(c5cccc6c5NC(=O)C6)C4(F)F)nn3)c2C1,AXAZKLSNMXUDNU-UHFFFAOYSA-N
|
| 34758 |
+
rxn:1:54484:20517,CC(n1nc(C2CC2)cc1-c1cn(CCC2C(c3ccc([N+](=O)[O-])cc3N)C2(F)F)nn1)C1(C)CC1,BUONKFDMPMDWPX-UHFFFAOYSA-N
|
| 34759 |
+
rxn:1:54496:12390,CC1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(O)c([N+](=O)[O-])c5)C4(F)F)nn3)cc2)CC1,HAIYDNUWLMCTIG-UHFFFAOYSA-N
|
| 34760 |
+
rxn:1:54496:29706,CCN1CCN(C(=O)c2ccc(-c3cn(CCC4C(c5cnc(O)c([N+](=O)[O-])c5)C4(F)F)nn3)cc2)CC1,CRQQAPALORKMGI-UHFFFAOYSA-N
|
| 34761 |
+
rxn:1:54860:8509,CN1CCN(c2ccc(C3C(CCn4cc(C(=O)N(C)CC5(O)CCCN(c6cnccn6)C5)nn4)C3(F)F)cc2)CC1,LHYRTLILBSVMCP-UHFFFAOYSA-N
|
| 34762 |
+
rxn:1:5524:55728,CCOC(=O)Cc1csc(-n2cc(CN3CCC4(CC3)CN(S(C)(=O)=O)Cc3cc(C)ccc3O4)nn2)n1,YYEKPKKYGXNHGQ-UHFFFAOYSA-N
|
| 34763 |
+
rxn:1:56033:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC4CC4c4c[nH]c5cc(Br)ccc45)nn3)c2C1,DPIKRIOPLAFRAD-UHFFFAOYSA-N
|
| 34764 |
+
rxn:1:56243:12645,COC(=O)c1ncc(C2CC2Cn2cc(-c3ccc(C(=O)NC4CCN(S(C)(=O)=O)CC4)cc3)nn2)cn1,FJWNFOINYGCOSI-UHFFFAOYSA-N
|
| 34765 |
+
rxn:1:56245:33216,C[C@@H](C(=O)O)n1cc(C2CC2Cn2cc(-c3cc(Br)cnc3NC(=O)CC3CCN(C)CC3)nn2)cn1,IUOIUQLGUJFXBN-FVWXCPNNSA-N
|
| 34766 |
+
rxn:1:56520:29825,CSc1ncc(C2CC2Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ccnn3C)CCCOc3ccccc34)nn2)c(C(=O)O)n1,SMPRVRQLAWIRAD-XZJPBRIQSA-N
|
| 34767 |
+
rxn:1:56717:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)c2C1,HCJZMFKHQPKQCS-UHFFFAOYSA-N
|
| 34768 |
+
rxn:1:56717:31203,CC(C)(C)OC(=O)N1CCC2(CN(Cc3cn(CC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)C2)C1,XVDVUJZAQZWOCF-UHFFFAOYSA-N
|
| 34769 |
+
rxn:1:57490:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CCCc4ccc(Cl)nc4Cl)nn3)c2C1,JUZZDMRNMNEAGC-UHFFFAOYSA-N
|
| 34770 |
+
rxn:1:57505:757,CN(Cc1cn(CCCc2nc(C(=O)O)cs2)nn1)C(=O)CC1CC(C)(C)NC(C)(C)C1,MWMHVJCYJGGNCB-UHFFFAOYSA-N
|
| 34771 |
+
rxn:1:58009:20232,CCC(c1ccc(F)c(F)c1)n1nc(C(C)C)cc1-c1cn(CC(=O)NC2(C#N)CCCCC2)nn1,YCVKCWOZQFBEMQ-UHFFFAOYSA-N
|
| 34772 |
+
rxn:1:5861:49340,CC(C)(C)OC(=O)N1CCCN([C@@H]2COC[C@@H]2n2cc(-c3ccc4nccc(Cl)c4c3)nn2)CC1,GWQBOVSDERUMID-PKTZIBPZSA-N
|
| 34773 |
+
rxn:1:59338:13493,Cc1cc(-n2cc(-c3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3)nn2)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1,GYXVHGKIFIQIPI-UHFFFAOYSA-N
|
| 34774 |
+
rxn:1:59583:27395,CC(C=C(F)B1OC(C)(C)C(C)(C)O1)Cn1cc(C2CC(=O)N(c3nc(-c4ccco4)cs3)C2)nn1,AAWNIGPFHNXELV-UHFFFAOYSA-N
|
| 34775 |
+
rxn:1:59593:8266,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C(=O)N5CC(c6n[nH]c7ncccc67)C5)nn4)o3)C2)OC1(C)C,VPTFFOABEONSAI-UHFFFAOYSA-N
|
| 34776 |
+
rxn:1:59594:6283,CC1CCc2c(nnn2Cc2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)CC4)s3)nn2)C1,DNRUHQPUPGMNIW-UHFFFAOYSA-N
|
| 34777 |
+
rxn:1:59594:8261,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(C(=O)N5CCC(c6n[nH]c7ncccc67)C5)nn4)s3)CC2)OC1(C)C,YRHUWCLCPYPHMY-UHFFFAOYSA-N
|
| 34778 |
+
rxn:1:59595:2223,CC1(C)OB(C(F)=C2CCN(C(=O)c3ccc(Cn4cc(CC(=O)CC5CCCN5)nn4)s3)C2)OC1(C)C,VKVNURAHMAQVIY-UHFFFAOYSA-N
|
| 34779 |
+
rxn:1:59595:22936,Cc1cc(-c2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)C4)s3)nn2)ncc1Cl,VZXYEDASKLHZNU-UHFFFAOYSA-N
|
| 34780 |
+
rxn:1:59595:3366,CCC(=O)N1CCC(c2cn(Cc3ccc(C(=O)N4CCC(=C(F)B5OC(C)(C)C(C)(C)O5)C4)s3)nn2)CC1,DUUJPWAWJJDHOL-UHFFFAOYSA-N
|
| 34781 |
+
rxn:1:59605:2398,COc1ccc(C(Cn2cc(CNc3nc(C)cc(C(=O)O)n3)nn2)=C(F)B2OC(C)(C)C(C)(C)O2)cc1,UDKLOSGQNSGVKN-UHFFFAOYSA-N
|
| 34782 |
+
rxn:1:59717:15518,CCCc1nn(C2CCS(=O)(=O)CC2)cc1-c1cn(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nn1,YQRQJDOGFICLIR-UHFFFAOYSA-N
|
| 34783 |
+
rxn:1:59718:17672,Cc1nc(S(=O)(=O)N2CCCC(n3cc(-c4cc(CC(C)C)n(C5CCS(=O)(=O)CC5)n4)nn3)C2)cn1C,YCLOQHPABZUSMB-UHFFFAOYSA-N
|
| 34784 |
+
rxn:1:59718:17712,Cc1nc(S(=O)(=O)N2CCCC(n3cc(-c4cc(CC5CCCC5)n(C5CCS(=O)(=O)CC5)n4)nn3)C2)cn1C,QJBHLRSOQNUUGB-UHFFFAOYSA-N
|
| 34785 |
+
rxn:1:59718:33488,Cc1cc(C(=O)N2CCCC3CCCCC32)ccc1-c1cn(C2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)nn1,LPGYXJANSOBVBW-UHFFFAOYSA-N
|
| 34786 |
+
rxn:1:59744:17642,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cc(C5CCCC5)n(C5CCCS(=O)(=O)C5)n4)nn3)C2)s1,FEJROQPYHOZRBR-UHFFFAOYSA-N
|
| 34787 |
+
rxn:1:59747:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(C4CCN(C(=O)c5c[nH]c6ccccc56)CC4)nn3)nc2)CC1,NEHITRFHMRPYNT-HZCBDIJESA-N
|
| 34788 |
+
rxn:1:59756:9965,N#Cc1ccccc1S(=O)(=O)N1CCCC(n2cc(Cn3cc(C(=O)NC4CCCCCCC4)ccc3=O)nn2)C1,NPXXXGZJKSVMGB-UHFFFAOYSA-N
|
| 34789 |
+
rxn:1:59777:23795,CC1(C)OB(c2cnn(C3(c4cn(C5CCCN(S(=O)(=O)N6CCCC6)C5)nn4)CCS(=O)(=O)CC3)c2)OC1(C)C,UXGCRQMSKBVZOR-UHFFFAOYSA-N
|
| 34790 |
+
rxn:1:59784:8083,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCCC(c5cc6cc(C)cnc6[nH]5)C4)nn3)C2)c(C)c1,QDDBDIFCPRWKBZ-UHFFFAOYSA-N
|
| 34791 |
+
rxn:1:59784:8444,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCCC(c5nccnc5Oc5cccc(Cl)c5)C4)nn3)C2)c(C)c1,DKUHZNMSSRUUFW-UHFFFAOYSA-N
|
| 34792 |
+
rxn:1:59786:8849,CCc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cccc(NC(=O)C5CCNCC5)c4)nn3)C2)cc1,MIPHBJLHCNNHGM-UHFFFAOYSA-N
|
| 34793 |
+
rxn:1:59796:23170,COCCN1CCC(c2cn(CC3CCCN3S(=O)(=O)Cc3ccccc3)nn2)CC1,IRKZUQPBYYHGIH-UHFFFAOYSA-N
|
| 34794 |
+
rxn:1:60027:30073,CCOP(=O)(OCC)n1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc2OCCCN(C(C)=O)CCNC3=O)nn1,GLYFVBIIEPIHEL-RTWAWAEBSA-N
|
| 34795 |
+
rxn:1:60066:16959,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5cnn(C6CCS(=O)(=O)CC6)c5CC5CCCC5)nn4)(C3)C2)cc1,RZYIRTZYTAGAFH-UHFFFAOYSA-N
|
| 34796 |
+
rxn:1:60066:16981,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5cnn(C6CCCS(=O)(=O)C6)c5C5CCCCC5)nn4)(C3)C2)cc1,FGUXJSVEZFCTLU-UHFFFAOYSA-N
|
| 34797 |
+
rxn:1:60066:17990,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5c6c(nn5C5CCS(=O)(=O)CC5)CSC6)nn4)(C3)C2)cc1,NOFOPIGNRBTWCB-UHFFFAOYSA-N
|
| 34798 |
+
rxn:1:60066:18033,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5c6c(nn5C5CCS(=O)(=O)CC5)CCCC6)nn4)(C3)C2)cc1,CPPJCJDCXRUNTO-UHFFFAOYSA-N
|
| 34799 |
+
rxn:1:60177:4716,O=S(=O)([O-])CCCn1cc(COc2cccc(C3CC(O)=Nc4nc(N5CCCCC5)sc43)c2)nn1,KIBKRAJFIUDQPA-UHFFFAOYSA-M
|
| 34800 |
+
rxn:1:60177:6630,O=S(=O)([O-])CCCn1cc(COc2cccc(C3CC(O)=Nc4nc(N5CCOCC5)sc43)c2)nn1,NVXXKPPEQCQINR-UHFFFAOYSA-M
|
| 34801 |
+
rxn:1:60287:15518,CCCc1nn(C2CCS(=O)(=O)CC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,XMPIPDOHXFUKLS-UHFFFAOYSA-N
|
| 34802 |
+
rxn:1:60288:17642,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4cc(C5CCCC5)n(C5CCCS(=O)(=O)C5)n4)nn3)C2)nc1C,YWOSCCWTAIHLNF-UHFFFAOYSA-N
|
| 34803 |
+
rxn:1:60288:17727,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4cc(C5CCCCC5)n(C5CCCS(=O)(=O)C5)n4)nn3)C2)nc1C,WVBYOVGAXYHMAN-UHFFFAOYSA-N
|
| 34804 |
+
rxn:1:60288:33216,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4cc(Br)cnc4NC(=O)CC4CCN(C)CC4)nn3)C2)nc1C,COLHOVOGHFUIIH-UHFFFAOYSA-N
|
| 34805 |
+
rxn:1:60288:33908,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4ccc(C(=O)N[C@H]5CC[C@@H](OC)CC5)c(Cl)c4)nn3)C2)nc1C,BPMPFLPOJUQYAP-BXAJPXNSSA-N
|
| 34806 |
+
rxn:1:60296:16864,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cnn(C4CCS(=O)(=O)CC4)c3C3CCC3)nn2)s1,MLVKQSMMHXHFQH-UHFFFAOYSA-N
|
| 34807 |
+
rxn:1:60296:16959,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cnn(C4CCS(=O)(=O)CC4)c3CC3CCCC3)nn2)s1,SWBNFJRQWFFIBM-UHFFFAOYSA-N
|
| 34808 |
+
rxn:1:60300:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCCN(S(=O)(=O)C5CCCCC5)C4)nn3)c(C3CCCC3)n2)cc1,IARYTURLNMIYEE-UHFFFAOYSA-N
|
| 34809 |
+
rxn:1:60308:33220,COc1ncccc1C(=O)N1CCC(n2cc(-c3ccc(C(=O)NC4CCC(C(C)(C)C)CC4)cc3C)nn2)CC1,LVPRJTPGQKCSGP-UHFFFAOYSA-N
|
| 34810 |
+
rxn:1:60310:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCCCC4)nn3)c2C2CCCCC2)cc1,NCMSVNMAXOHSPO-UHFFFAOYSA-N
|
| 34811 |
+
rxn:1:60310:4005,CC1CCCCC1N(Cc1cn(CC2CCCN2S(=O)(=O)N2CCCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1,NSQDDYBIAYTACB-UHFFFAOYSA-N
|
| 34812 |
+
rxn:1:60331:16864,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cnn(C3CCS(=O)(=O)CC3)c2C2CCC2)nn1,URGLWBOSHSRKMH-UHFFFAOYSA-N
|
| 34813 |
+
rxn:1:60331:16959,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cnn(C3CCS(=O)(=O)CC3)c2CC2CCCC2)nn1,PXSMWHHXEAOUOW-UHFFFAOYSA-N
|
| 34814 |
+
rxn:1:60331:17626,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(C3CCC3)n(C3CCS(=O)(=O)CC3)n2)nn1,CGMZDQQYSZKZNP-UHFFFAOYSA-N
|
| 34815 |
+
rxn:1:60331:17642,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(C3CCCC3)n(C3CCCS(=O)(=O)C3)n2)nn1,GLMQITKYCOLPKJ-UHFFFAOYSA-N
|
| 34816 |
+
rxn:1:60331:17712,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(CC3CCCC3)n(C3CCS(=O)(=O)CC3)n2)nn1,GYAQMEHPNNORBI-UHFFFAOYSA-N
|
| 34817 |
+
rxn:1:60331:30646,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)cc2)nn1,GNHWPRPSCCLUFB-UHFFFAOYSA-N
|
| 34818 |
+
rxn:1:60331:30951,CC(C)(C)OC(=O)N1Cc2cnc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)cc2C1,QDKUOCAXSYBOMO-UHFFFAOYSA-N
|
| 34819 |
+
rxn:1:60331:31860,CC(C)(C)OC(=O)N1Cc2ccc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)nc2C1,OGYVMKNZIJLRQL-UHFFFAOYSA-N
|
| 34820 |
+
rxn:1:60331:33013,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2nc(Br)cnc2NC(=O)C2CN(S(C)(=O)=O)C2)nn1,UJSANCKSEFTHAO-UHFFFAOYSA-N
|
| 34821 |
+
rxn:1:60331:6399,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)cn2)CC1,NQLBIRGSGFGQLK-UHFFFAOYSA-N
|
| 34822 |
+
rxn:1:60331:7316,CC(C)(C)OC(=O)N1CCc2sc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)cc2C1,UYOFGDCDNUNZLL-UHFFFAOYSA-N
|
| 34823 |
+
rxn:1:60331:8439,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(C(=O)N2CCC(c3nccnc3Oc3ccc(Cl)cc3)CC2)nn1,WERHSOUGKPQGII-UHFFFAOYSA-N
|
| 34824 |
+
rxn:1:60331:9432,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(COC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1,RIKBSYOJROJALV-UHFFFAOYSA-N
|
| 34825 |
+
rxn:1:60333:8901,CC(=O)C1CCC2C3CC=C4CC(n5cc(CN(c6ccc(Cl)cn6)S(=O)(=O)N(C)C)nn5)CCC4(C)C3CCC12C,ORNWGJGTUPILDV-UHFFFAOYSA-N
|
| 34826 |
+
rxn:1:60413:16981,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(-c5cnn(C6CCCS(=O)(=O)C6)c5C5CCCCC5)nn4)c3)nc2c1,RYTRNTDRZWBGND-UHFFFAOYSA-N
|
| 34827 |
+
rxn:1:60629:5238,CC(C1CCNCC1)S(=O)(=O)Cc1cn(-c2nc3c4ncnc3n2[C@@H]2O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]3O[C@@H](N4)C(O)[C@H]3O)[C@H](O)C2O)nn1,OBZGINZKLZKBNH-VRIVTDNFSA-N
|
| 34828 |
+
rxn:1:60643:35306,CCn1cc(S(=O)(=O)N2CCC(n3cc(-c4ccc(C(=O)N5CCC[C@@H]5COC)cc4C)nn3)C2)nc1C,AUOCDCABZHRTNQ-FOIFJWKZSA-N
|
| 34829 |
+
rxn:1:60644:1952,CC(C)(NS(=O)(=O)c1ccccc1Cl)c1cn(C2CCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nn1,SMOSDTGOGRMIPH-UHFFFAOYSA-N
|
| 34830 |
+
rxn:1:60658:11266,CS(=O)(=O)N(Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1)c1ccc(N2CCCCC2)cc1,FTDRPDZSLYBAIF-UHFFFAOYSA-N
|
| 34831 |
+
rxn:1:60696:12974,CC(C)(C)OC(=O)NC1CCC(n2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1,FFEWXZPUDGONQY-UHFFFAOYSA-N
|
| 34832 |
+
rxn:1:60969:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CC(COC)C(C)(C)C4)nn3)c2C2CCCCC2)cc1,XEIYFMYSGXKODI-UHFFFAOYSA-N
|
| 34833 |
+
rxn:1:60982:31599,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(CCN4CCC(C(C)(F)F)CC4)nn3)cnc2C1,SOUPICHQMIOXKV-UHFFFAOYSA-N
|
| 34834 |
+
rxn:1:61189:23795,Cc1oncc1C(=O)N1CC(n2cc(C3(n4cc(B5OC(C)(C)C(C)(C)O5)cn4)CCS(=O)(=O)CC3)nn2)C1,GXURXMYSWRZYNX-UHFFFAOYSA-N
|
| 34835 |
+
rxn:1:61230:35444,COc1ncccc1C(=O)N1CC(n2cc(-c3cc(C(=O)NC4CCC(C)(C)CC4)ccc3C)nn2)C1,MSUKUTXDNWLYCL-UHFFFAOYSA-N
|
| 34836 |
+
rxn:1:61237:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(C4CN(C(=O)C=Cc5ccccc5)C4)nn3)nc2)CC1,WIYAMXGYYCLCIU-YHBQERECSA-N
|
| 34837 |
+
rxn:1:61276:35756,CC(C)(C)CN1CC(n2cc(-c3cc(Br)cnc3NC(=O)CC3(C)OCCO3)nn2)C1,MBWTWYMABDRXDH-UHFFFAOYSA-N
|
| 34838 |
+
rxn:1:61407:6394,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(Cc4ccc(C(=O)NC5CCCC5)o4)nn3)cn2)CC1,XFOLOZQXFKYSMB-UHFFFAOYSA-N
|
| 34839 |
+
rxn:1:61407:7256,CC(C)(C)OC(=O)N1CC(c2ocnc2-c2cn(Cc3ccc(C(=O)NC4CCCC4)o3)nn2)C1,CXSNUAIVSYNRNA-UHFFFAOYSA-N
|
| 34840 |
+
rxn:1:61418:7316,CC(C)(C)OC(=O)N1CCc2sc(-c3cn(Cc4ccc(C(=O)N5CCCC(O)C5)o4)nn3)cc2C1,AITMLWGUGMWURM-UHFFFAOYSA-N
|
| 34841 |
+
rxn:1:61422:21336,O=C(NC1CCS(=O)(=O)C1)c1ccc(Cn2cc(-c3cc(C4CCCCC4)nn3Cc3ccc(O)cc3Br)nn2)o1,QCUJZMNBHQGDNS-UHFFFAOYSA-N
|
| 34842 |
+
rxn:1:61449:7598,CN(C(=O)c1ccc(Cn2cc([C@]3(O)CC[C@@H]4[C@@H]5CCc6cc(OS(=O)(=O)O)ccc6[C@@H]5CC[C@@]43C)nn2)s1)C1CCCCC1,GDYYNEKTSYFFAA-WDXWKNCSSA-N
|
| 34843 |
+
rxn:1:61455:12645,CC1CCCN(C(=O)c2ccc(Cn3cc(-c4ccc(C(=O)NC5CCN(S(C)(=O)=O)CC5)cc4)nn3)s2)C1,XENMFJFQMVQOEO-UHFFFAOYSA-N
|
| 34844 |
+
rxn:1:61463:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)NC4CCCC4)s3)nn2)OCCO1,VAIMMHIJOKNSDV-UHFFFAOYSA-N
|
| 34845 |
+
rxn:1:61470:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(Cc4ccc(C(=O)N5CCC(F)(F)CC5)s4)nn3)nc2)CC1,ZAAVVQYLJWFBRQ-MXVIHJGJSA-N
|
| 34846 |
+
rxn:1:61471:4338,C=C(C)Cn1c(SCc2cn(Cc3ccc(C(=O)N4CC(O)C4)s3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,HTEYQCHJMUZJAM-UHFFFAOYSA-N
|
| 34847 |
+
rxn:1:61475:33335,CC(C(=O)Nc1ccc(-c2cn(Cc3ccc(C(=O)NC4CCN(C)CC4)s3)nn2)nc1)C1CCCCC1,NUDSQBLLSCSEEA-UHFFFAOYSA-N
|
| 34848 |
+
rxn:1:61488:18738,CC(C)Cc1nn(C(C)C(F)F)cc1-c1cn(Cc2ccc(C(=O)NC3CCCCCC3)s2)nn1,PJJSUAWCUBSOQZ-UHFFFAOYSA-N
|
| 34849 |
+
rxn:1:61488:6395,CC(C)(C)OC(=O)N1CC(n2cc(-c3cn(Cc4ccc(C(=O)NC5CCCCCC5)s4)nn3)cn2)C1,VAYCRTJYGVHNJP-UHFFFAOYSA-N
|
| 34850 |
+
rxn:1:61495:38294,CC1(C)OB(c2ccc(C3CCCOC3)c(-c3cn(Cc4ccc(C(=O)N5CCC(=O)CC5)s4)nn3)c2)OC1(C)C,DTBSNDZXJZBUEZ-UHFFFAOYSA-N
|
| 34851 |
+
rxn:1:61495:38296,CC1(C)OB(c2ccc(C3CCOCC3)c(-c3cn(Cc4ccc(C(=O)N5CCC(=O)CC5)s4)nn3)c2)OC1(C)C,DPVLGEJBKWWTCR-UHFFFAOYSA-N
|
| 34852 |
+
rxn:1:61501:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(Cc4ccc(C(=O)NC5CCC5)s4)nn3)nc2)CC1,JWACXUKVINTFNM-WGSAOQKQSA-N
|
| 34853 |
+
rxn:1:61545:15799,CC(C)(C)OC(=O)N1CC=CC1Cn1cc(-c2cn(-c3ccc(I)cc3)nc2C2CCCCC2)nn1,NNVAGDKFCFIQIN-UHFFFAOYSA-N
|
| 34854 |
+
rxn:1:61687:30772,COc1ccc2c(c1)[C@@H](n1cc(C(=O)N3CCC(C4CCN(C(=O)C(C)C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn1)CCO2,GXIZJDDHXYHFDK-AUPVMFHISA-N
|
| 34855 |
+
rxn:1:61732:7074,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn2)CC1,BYSWQCMWZFJODP-QFIPXVFZSA-N
|
| 34856 |
+
rxn:1:61745:14747,CC(C)(C)OC(=O)N1CCOC(Cn2cc(-c3ccc(CN4CCOCC4)s3)nn2)CC1,WZHVEADLLUMPRD-UHFFFAOYSA-N
|
| 34857 |
+
rxn:1:61888:16959,Cc1ccc(S(=O)(=O)N2CC3(n4cc(-c5cnn(C6CCS(=O)(=O)CC6)c5CC5CCCC5)nn4)CC2C3)cc1,FLHBVJNBKWILHW-UHFFFAOYSA-N
|
| 34858 |
+
rxn:1:61888:18033,Cc1ccc(S(=O)(=O)N2CC3(n4cc(-c5c6c(nn5C5CCS(=O)(=O)CC5)CCCC6)nn4)CC2C3)cc1,ALPGVATUTSLTMW-UHFFFAOYSA-N
|
| 34859 |
+
rxn:1:61888:18594,Cc1ccc(S(=O)(=O)N2CC3(n4cc(-c5nn(C6CCS(=O)(=O)CC6)cc5C5CCC5)nn4)CC2C3)cc1,YSCYPFVGOIIAFU-UHFFFAOYSA-N
|
| 34860 |
+
rxn:1:61965:29829,Nc1ncnc2c1nc(-n1cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccc3F)CCCOc3ccccc34)nn1)n2C1OC2COP(=O)(O)OC2C1O,GVHBUCQBYKVFPP-VSQBYMPVSA-N
|
| 34861 |
+
rxn:1:61965:5037,Nc1ncnc2c1nc(-n1cc(CS(=O)(=O)Cc3cccc(N4CCNCC4)c3)nn1)n2C1OC2COP(=O)(O)OC2C1O,REDXKXDANFPVDL-UHFFFAOYSA-N
|
| 34862 |
+
rxn:1:62052:1014,N=c1c2nc(-n3cc(COC(=O)Nc4cccc(Br)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,STLXZMGJDRGXNF-UHFFFAOYSA-N
|
| 34863 |
+
rxn:1:62052:135,N=c1c2nc(-n3cc(CC(=O)c4ccncc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,QGFJBSHDVQMHJH-UHFFFAOYSA-N
|
| 34864 |
+
rxn:1:62052:3735,N=c1c2nc(-n3cc(COP(=O)(O)O)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,RILGDIOUHLMYKM-UHFFFAOYSA-N
|
| 34865 |
+
rxn:1:62052:4738,N=c1c2nc(-n3cc(CS(=O)(=O)c4ccc(Cc5ccncc5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NICOSSVLQHTBJD-UHFFFAOYSA-N
|
| 34866 |
+
rxn:1:62052:945,N=c1c2nc(-n3cc(C(=O)NCc4ccccn4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,ZXZVFZGTFIJCDD-UHFFFAOYSA-N
|
| 34867 |
+
rxn:1:62074:17348,CC1(Cn2cc(Cn3c(=NC(=O)C4CCN(S(C)(=O)=O)CC4)sc4cc5c(cc43)OCCO5)nn2)COc2cscc2OC1,HRFYFVZVGZSNNF-UHFFFAOYSA-N
|
| 34868 |
+
rxn:1:62084:34436,CCC(=O)Nc1nc2c(s1)C(O)C(n1cc(-c3cc(Br)cnc3NC(=O)C3(C)CCCCC3)nn1)CC2,WMZYAUIXCOSJDA-UHFFFAOYSA-N
|
| 34869 |
+
rxn:1:62084:35756,CCC(=O)Nc1nc2c(s1)C(O)C(n1cc(-c3cc(Br)cnc3NC(=O)CC3(C)OCCO3)nn1)CC2,QWKLMKWKOXPKPB-UHFFFAOYSA-N
|
| 34870 |
+
rxn:1:62271:1014,O=C(Nc1cccc(Br)c1)OCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,YELNKFQXFBYTDN-UHFFFAOYSA-N
|
| 34871 |
+
rxn:1:62271:135,O=C(Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccncc1,DXYUGTLJKGYDJT-UHFFFAOYSA-N
|
| 34872 |
+
rxn:1:62271:2106,O=C(CN1CCNCC1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,QWZRUCSFCLSBDU-UHFFFAOYSA-N
|
| 34873 |
+
rxn:1:62271:28660,CC(C)(CC(=O)O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,OKDVUVJVVKPEAT-UHFFFAOYSA-N
|
| 34874 |
+
rxn:1:62271:303,O=C1NC(=O)c2ccc(-c3cn(-c4nc5c6ncnc5n4C4OC(COP(=O)(OP(=O)(O)O)OCC5OC(N6)C(O)C5O)C(O)C4O)nn3)c3cccc1c23,YJGISYQCFPQDDG-UHFFFAOYSA-N
|
| 34875 |
+
rxn:1:62271:3305,CC1CNCCC1C(=O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,LIIJAYQMGVSDBC-UHFFFAOYSA-N
|
| 34876 |
+
rxn:1:62271:3735,O=P(O)(O)OCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,IXUBLDIOQLFVDG-UHFFFAOYSA-N
|
| 34877 |
+
rxn:1:62271:37807,CC(C(=O)O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BMLKMFOSHPURNP-UHFFFAOYSA-N
|
| 34878 |
+
rxn:1:62271:38263,CC1(C)C(=O)CC1c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MLGWQSHSZUVLGD-UHFFFAOYSA-N
|
| 34879 |
+
rxn:1:62271:39254,CC(=O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MCGGEWXIUIPRNI-UHFFFAOYSA-N
|
| 34880 |
+
rxn:1:62271:39313,CC(C)(C(=O)Cl)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,FKQTYRQALMGBNW-UHFFFAOYSA-N
|
| 34881 |
+
rxn:1:62271:5238,CC(C1CCNCC1)S(=O)(=O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,OBZGINZKLZKBNH-UHFFFAOYSA-N
|
| 34882 |
+
rxn:1:62271:945,O=C(NCc1ccccn1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,QANRQIHHLGLAKE-UHFFFAOYSA-N
|
| 34883 |
+
rxn:1:62287:22780,CC(C)(C)OC(=O)NC1COCCC1n1cc(-c2cncc(-n3nc(C4CCCCC4)c(Br)c3I)c2)nn1,ZQAHZHYZKPHXBZ-UHFFFAOYSA-N
|
| 34884 |
+
rxn:1:62297:23445,CC(C)c1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c(Cl)nc1C(C)C,GEYWRGDFNBGWAF-UHFFFAOYSA-N
|
| 34885 |
+
rxn:1:62416:13636,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(C(=O)Nc4ccc(Cl)nn4)cc3)nn2)C2(CCOC2)C1,CVZFNUIKOZAUHT-UHFFFAOYSA-N
|
| 34886 |
+
rxn:1:62416:13720,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(C(=O)Nc4ccc(I)nn4)cc3)nn2)C2(CCOC2)C1,HCGOVPBJFLOKJQ-UHFFFAOYSA-N
|
| 34887 |
+
rxn:1:62743:29058,CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)c1cn(CC(=O)NC2CC2)nn1,GNWKOPXEVJEYBC-UHFFFAOYSA-N
|
| 34888 |
+
rxn:1:62979:23699,CC1(N2CC(Cn3cc(COc4ccc(C5CC(=O)Nc6c5cnn6-c5ccc(F)cc5F)cc4)nn3)CC2=O)CCCCCC1,JVGCVRZHDAOQKC-UHFFFAOYSA-N
|
| 34889 |
+
rxn:1:63015:34243,CCOc1ccc2nc(N3CC(Cn4cc(-c5nc(Br)cnc5NC(=O)C5(CC)COC5)nn4)CC3=O)sc2c1,YHBJNLFBVXGOOC-UHFFFAOYSA-N
|
| 34890 |
+
rxn:1:63463:34114,Cc1c(Cl)ccc2sc(N3CC(Cn4cc(-c5cc(Br)cnc5NC(=O)C(C)C5CCCCC5)nn4)CC3=O)nc12,MNMNEYJGDRHOQL-UHFFFAOYSA-N
|
| 34891 |
+
rxn:1:63942:38693,CC(C)(C)OC(=O)Nc1cc(-c2cn(CC3CC(=O)N(C4CCN(c5ncccn5)CC4)C3)nn2)ccn1,XNFABBYFQRICPK-UHFFFAOYSA-N
|
| 34892 |
+
rxn:1:64638:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CC4CC(=O)N(c5ccc6nc(S)[nH]c6c5)C4)nn3)ncn2)CC1,DOQGSSDQWIPKMD-UHFFFAOYSA-N
|
| 34893 |
+
rxn:1:64650:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CC4CC(=O)N(c5ccc6[nH]nc(Br)c6c5)C4)nn3)ncn2)CC1,PUBLFFUYBZFAMH-UHFFFAOYSA-N
|
| 34894 |
+
rxn:1:65506:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cnc(-c6ccccc6)cn5)C4)nn3)nc2)CC1,XCUKNRHJRXCGIF-XKGKZCFJSA-N
|
| 34895 |
+
rxn:1:65525:8065,CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCCN(C(=O)c2cn(CC3CC(=O)N(c4nccc(-c5cccc(Br)c5)n4)C3)nn2)C1,HUYVCLNGLSKHHB-UHFFFAOYSA-N
|
| 34896 |
+
rxn:1:65569:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC4CC(=O)N(c5nc6cc(Br)ccn6n5)C4)nn3)c2C1,IEFGUJJKRXQYSA-UHFFFAOYSA-N
|
| 34897 |
+
rxn:1:65569:18123,CC(C)(C)OC(=O)N1CCc2nn(C3CCCSC3)c(-c3cn(CC4CC(=O)N(c5nc6cc(Br)ccn6n5)C4)nn3)c2C1,VGKKHHZQMMIMDW-UHFFFAOYSA-N
|
| 34898 |
+
rxn:1:7102:62271,CC(OCC(=O)O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,OHBYFXYWTVIWNZ-UHFFFAOYSA-N
|
| 34899 |
+
rxn:1:8197:59447,CC(C)(C)OC(=O)[C@H]1C[C@@H](n2cc(C(=O)N3CCC(c4ccnc(Nc5cc(F)ccn5)n4)CC3)nn2)C1,LVGAKHCQHORZQE-IZAXUBKRSA-N
|
| 34900 |
+
rxn:1:8197:59448,CC(C)(C)OC(=O)[C@H]1C[C@H](n2cc(C(=O)N3CCC(c4ccnc(Nc5cc(F)ccn5)n4)CC3)nn2)C1,LVGAKHCQHORZQE-UAPYVXQJSA-N
|
| 34901 |
+
rxn:1:9255:58993,CC1=NOC(=O)C1=Cc1ccc(OCc2cn(CCN3CCC(C(C)(C)C)CC3)nn2)c(Cl)c1,JHRCTHGDBMQRKX-UHFFFAOYSA-N
|