urdof7 commited on
Commit
f7a3111
·
verified ·
1 Parent(s): ff76455

Added 208 molecules from epoch 17717 for Q9BY41

Browse files
Files changed (1) hide show
  1. Q9BY41_molecules.csv +208 -0
Q9BY41_molecules.csv CHANGED
@@ -34569,3 +34569,211 @@ rxn:3:709:61795:109752,CC=Cc1cn(CC(C)(C)C(=O)NCC(OC)C2CC(F)(F)C2)nn1,TXXGWOKBBMD
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  rxn:3:8781:44926:122756,C=CCc1cn(CCC#Cc2cc(F)c(F)cc2C(=O)NC2CC[Si](C)(C)CC2)nn1,JFQAFNJGWVIHDC-UHFFFAOYSA-N
34571
  rxn:3:981:62824:73149,CC(c1cn(CC2CC(=O)N([C@@H](C(=O)NC[Si](C)(C)C)C3=CCC=CC3)C2)nn1)N(C)C,DCLIWNYKMUVXPB-RWWKDMOOSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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34647
+ AE73F1897C1BA356_67072F2B177C631E_6026_UN,FC1=CC(=C(C=C1)Cl)[S](=O)(=O)N2CC(=CC2)C3=C4C(=CC=C3)C=CC=C4,RUKDQLLDDSDBIK-UHFFFAOYSA-N
34648
+ AF15F78F3F3A75C8_D3D486706DD1233D_6038_UN,CCOC(=O)[C@@H](NC(CC(COC)(C)C)=O)CC1=C[NH]C=N1,SCTNLDAOCHSHQT-LBPRGKRZSA-N
34649
+ B1B135BE13BC0E8B_616378B368929750_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)N(C3CCCCCC3)C5=C4C=CC=NC4=CC=C5,DPMZAPOEEXHVLK-UHFFFAOYSA-N
34650
+ B28A8B88250B72C0_A023E5381CD7B7D9_6041_UN,FC1=C(C=CC(=C1)NC3=C(N2CCC(C)CC2)C=CC(=C3)F)N4CCC[S]4(=O)=O,LZHCZFAHBIDWEA-UHFFFAOYSA-N
34651
+ B6E11EC5E26AFFA1_5284DACFFE9288E2_6029_UN,N(N2C(=O)C1=C(C=CC=C1)C2=O)[S](C4=CN=C(N3CCN(C)CCC3)C=C4)(=O)=O,WMNCUPVRYHFZDT-UHFFFAOYSA-N
34652
+ BCEB7EAAD8540D09_C9909AE06575FF47_6029_UN,ClC1=CC(=CC=C1)C2CN(C2)[S](C3=CC=CC(=C3)N4CC(O)C4)(=O)=O,BKZUDXIOWIYOHJ-UHFFFAOYSA-N
34653
+ BD8CFA7D500554A4_1DA79501407C24E1_6038_UN,CC2=C(OC(CCC(C)(C)C1=CC=CC=C1)=O)C(=O)OC2,UPYRFLVSWYHJOL-UHFFFAOYSA-N
34654
+ C4AB92A3E3C139B4_557145F5EA03BEBB_6038_UN,CC(OC(CC(CC)C)=O)C(=O)N(C)C1=CC=CC=C1,XFVZAXAJTPJOSJ-UHFFFAOYSA-N
34655
+ C877358095044CF1_7C85C7D08C3EFC4F_6006_UN,CC1=NC(=N[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,WQJVZIKUSKDLAW-UHFFFAOYSA-N
34656
+ C877358095044CF1_90BDD1F7C09EC48F_6004_UN,CC1=NC(=N[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,WQJVZIKUSKDLAW-UHFFFAOYSA-N
34657
+ C9313EB3B67FD6A2_EBB43CE3B01D0E21_6038_UN,NC(=O)N2CC(OC(C=C(C1=CC=C(CC)C=C1)C)=O)C2,LTLUPECNJCDTSO-UHFFFAOYSA-N
34658
+ C98E959E3330B48A_B9D3A645C9073923_6038_UN,CN(C)C3=NN=C(CNC(C2=NOC(C1=CC=C(C)C=C1)C2)=O)[NH]3,ZGPJNBFKQNZVNA-UHFFFAOYSA-N
34659
+ CA0D37FC3A080218_0385EA5BEF516FB0_6031_UN,O(C(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)B(O)O,JWOQQPCEDJNIPJ-UHFFFAOYSA-N
34660
+ CCE04B42399BABCE_AFB0E8B413C374D1_6038_UN,CCCN(C)CC(C)(C)COC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12,IWVVSSNSAIXLKC-UHFFFAOYSA-N
34661
+ D15CE834DC152B8B_F74DFC0DB46876CE_6029_UN,C1CC(CCN1[S](C2=CC=CC3=C2C=C(C)C=C3)(=O)=O)C4=CN=CC=C4,CIJKLNSWAZDSTC-UHFFFAOYSA-N
34662
+ D1846066E9075C5B_10CEB2F3831B6650_6041_UN,C1(=CC=C(C=C1)C2=N[NH]N=N2)NC3(C(N(OC)C)=O)CC3,WBUJCKINGCJJON-UHFFFAOYSA-N
34663
+ D2D238BF1DDA2FA7_516EE00804740653_6038_UN,CC1=NC(=C(C=C1)OC(C2=CC=CC(=N2)N3CCN(C)CC3)=O)[N](=O)=O,HBHRSCKFWCFLQL-UHFFFAOYSA-N
34664
+ D53E9C9AA40CC7B6_11497C63E98AE6CB_6031_UN,O(C(=O)C(=CC1=CC=CS1)[N]2N=NN=C2C3=CC=CC=C3)CC4=CC(=C(OC)C=C4)B(O)O,LDJNVSHRKRNRIM-UHFFFAOYSA-N
34665
+ D8CD2170FDD6D33D_3D4C9B7816CA54A9_6031_UN,O(C(=O)C(=CC1=CC=CS1)[N]2N=NN=C2C3=CC=CC=C3)CC4=CC=C(C=C4)B(O)O,MAVYQDPRGMKNNX-UHFFFAOYSA-N
34666
+ D96F525B68C3CA53_B18D7423A59523E3_6029_UN,C1CCC(C1)C2=C[N](C3=C2C=CC=C3)[S](C4=CC=C(C=C4)[N]5C=CC=N5)(=O)=O,ZJMBPOHRMDCWJN-UHFFFAOYSA-N
34667
+ D9FA66F3573AAD13_37B46B83F9B328E1_6041_UN,C1(=C([NH]N=C1)C2CCC2)NC(C(C)C)C3=CC(=C(C=C3)F)C#N,JEPYGEBKEDZIDX-UHFFFAOYSA-N
34668
+ E575D830027BF40C_3DCF83E2A59EF302_6038_UN,O(C1=CC(=CC=C1)N2CCC2=O)C(C(C(C)(C)C)=C)=O,DHRYXGAZXXWYCX-UHFFFAOYSA-N
34669
+ E58D1D95C19E8F7C_41691D8BFC0643FB_6038_UN,CCC(NC(=O)C1=CC=CN2CC[S](=O)(=O)N=C12)CN(C)CCCN(C)C,DQKBREZCUNBTRM-UHFFFAOYSA-N
34670
+ E895D694CBA88970_3AEA825107245846_6029_UN,CC1=C2C(=CC=C1)OCCN(C2)[S](C3=CC=C(C(C)(C)C)C=C3)(=O)=O,AOACVZUCPGEPRP-UHFFFAOYSA-N
34671
+ EAC787FD4E517432_3CF552D44ED76994_6041_UN,FC1=C(C=CC(=C1)NC3=C(N2CCN(C)CC2)C=CC(=C3)F)N4CCC[S]4(=O)=O,MFIUBWABMJTOOV-UHFFFAOYSA-N
34672
+ EB79E65A5C683038_40D65E776B01E4AA_6031_UN,O(C(=O)C1=CSC(=N1)C2=N[N](N=C2)C3=CC=CC=C3)CC4=CC(=CC=C4)B(O)O,MSCIKWUCCIEHMT-UHFFFAOYSA-N
34673
+ EC0BD2112F3E60D4_CA074CBD245B6DD7_6038_UN,N(C1=C(C=NC=C1)B(O)O)C(C(CC2=CC=CC(=C2)OC)[N]3N=NN=C3C)=O,MSUNWCSIOJKPFE-UHFFFAOYSA-N
34674
+ ECA9F2EFAEF9DF59_E240085AB4ABD7A8_6041_UN,FC1=C(C=CC(=C1)NC3=CC(=C(N2CCN(C)CC2)C=C3)C)N4CCC[S]4(=O)=O,JMEBLQNAXGANLU-UHFFFAOYSA-N
34675
+ F54C0A3C38452649_64ED511762737401_6029_UN,CC1=CC(=C(C=C1)C)C2CCN(CC2)[S](C3=C(C=CC=C3)C4CC4)(=O)=O,OZDGINDKDJXIPX-UHFFFAOYSA-N
34676
+ F81ED0622ED33162_1929D65B476644C5_6006_UN,OC2=C(C=C1C(CCC1=C2)=O)C3=C(C(C)(C)C)C=CC=C3,WUSAUCYWLJIIQH-UHFFFAOYSA-N
34677
+ FB855AEAD0A6AA90_91B95279E9747775_6038_UN,CC(OC(C2=CC1=C(COB1O)C=C2)=O)C3=NC(=NO3)C4=CN=CC=C4,PZCJRIHVXPDOMP-UHFFFAOYSA-N
34678
+ FD7C6DB10F762B14_630A1529884CCC7A_6004_UN,CC1=NC(=C(C)[NH]1)C3=CC=C2C=CC=NC2=C3O[Si](C(C)(C)C)(C)C,PPEIUSZVFICJEB-UHFFFAOYSA-N
34679
+ FE1A195B483282D5_61B84573A01D69A2_7015_UN,CC1=CC(=CC(=C1)C)C2CCN(CC2)[S](C3=CC=CC(=C3C)C)(=O)=O,BIGVPTNRVXQWMG-UHFFFAOYSA-N
34680
+ rxn:1:33319:44824,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2nccc(C(=O)O)c2F)nn1,YSDDPZNAORLVDG-UHFFFAOYSA-N
34681
+ rxn:1:42983:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CC#Cc4cc([N+](=O)[O-])cnc4Cl)nn3)ncn2)CC1,SODDYEHQXIWJEN-UHFFFAOYSA-N
34682
+ rxn:1:42983:6394,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(CC#Cc4cc([N+](=O)[O-])cnc4Cl)nn3)cn2)CC1,LKYVDIWTPIMKJJ-UHFFFAOYSA-N
34683
+ rxn:1:43615:33463,CC(NC(=O)c1ccc2c(c1)B(O)OC2)c1cn(CC#Cc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1,LYYZGSDBZAGXDW-UHFFFAOYSA-N
34684
+ rxn:1:44102:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2cnc(Cl)nc2Cl)nn1,VHKWECBBXDWPSO-UHFFFAOYSA-N
34685
+ rxn:1:44774:31890,CC(C)(C)OC(=O)N1CCC(CF)(c2cn(CCC#Cc3cncc([N+](=O)[O-])c3Cl)nn2)CC1,WKWSQHWRXFJRNF-UHFFFAOYSA-N
34686
+ rxn:1:44776:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3cnc(N)c(C(=O)O)c3)nn2)CC1,XBPGEOKLLPSTQY-UHFFFAOYSA-N
34687
+ rxn:1:44822:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2cc(C(=O)O)c(F)cn2)nn1,OAWHIDNKPBHJMZ-UHFFFAOYSA-N
34688
+ rxn:1:48229:2481,O=C([C@@H]1C[C@@H](n2cc(C3CCN(S(=O)(=O)Cl)CC3)nn2)CN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,ODZXFEXMWMLXKN-UXHICEINSA-N
34689
+ rxn:1:48235:701,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC(O)C(O)c2c[nH]c3nccc(Cl)c23)nn1,CJXVHTQQDAYBEV-UHFFFAOYSA-N
34690
+ rxn:1:49448:39418,O=C1CCC(N2C(=O)c3cccc(N4CCN(CCn5cc(CC(C(=O)O)N6C(=O)C=CC6=O)nn5)CC4)c3C2=O)C(=O)N1,MMKDCWRVXVPXBK-UHFFFAOYSA-N
34691
+ rxn:1:49448:9422,O=C1CCC(N2C(=O)c3cccc(N4CCN(CCn5cc(COc6ccc(Cl)cc6C=C6C(=O)NC(=O)NC6=O)nn5)CC4)c3C2=O)C(=O)N1,YIGWYQLNKGLUDW-UHFFFAOYSA-N
34692
+ rxn:1:49460:24905,CC(=O)c1ccc(Br)c(N2CC(c3cn(C4CCN(S(=O)(=O)c5cn(C)c(C)n5)CC4)nn3)CC2=O)c1,KOKQBOJLHDIHGD-UHFFFAOYSA-N
34693
+ rxn:1:49461:27127,CCn1cc(S(=O)(=O)N2CCC(n3cc(C4CC(=O)N(c5cc(F)cc(C(=O)O)c5)C4)nn3)CC2)nc1C,USRSEXOFGMVZIV-UHFFFAOYSA-N
34694
+ rxn:1:49477:11082,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(CN(C4CCCC4)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn3)CC2)c1,QRRIFWHXJIHQIR-UHFFFAOYSA-N
34695
+ rxn:1:49477:33252,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(CN4CCN(S(=O)(=O)N(C)C)CC4)nn3)CC2)c1,UTRCKEUMGZYDTM-UHFFFAOYSA-N
34696
+ rxn:1:50609:8284,CC1(c2cc(O)[nH]n2)CCCN(C(=O)c2cn(CC3C(c4ccc5c(c4)CC(=O)N5)C3(F)F)nn2)C1,QYOBZPGXWBHELL-UHFFFAOYSA-N
34697
+ rxn:1:51305:17841,CC(=O)c1cc(-c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)c2c(c1)C(C(C)C)C(=O)N2,XKYHJHHYPSAFKX-UHFFFAOYSA-N
34698
+ rxn:1:51305:24660,O=C(O)C(Cc1ccc(Cl)cc1)N1CC(c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CC1=O,FRDFHRCISKKPOW-UHFFFAOYSA-N
34699
+ rxn:1:51305:34471,COc1ccc(C)cc1S(=O)(=O)N(C)Cc1cn(CC2C(c3cccc(N4CCNCC4)c3)C2(F)F)nn1,BSGGOXTUJILTPG-UHFFFAOYSA-N
34700
+ rxn:1:51306:24724,O=C(O)[C@H](Cc1ccc(Br)cc1)N1CC(c2cn(CC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)CC1=O,QARJTGXHWHWNDF-YDLGDYPESA-N
34701
+ rxn:1:51466:6161,O=C(O)c1cc(OS(=O)(=O)F)cc(-c2cn(CC3C(c4cccc(N5CCCS5(=O)=O)c4)C3(F)F)nn2)c1,CUQQQNGDYHFXDO-UHFFFAOYSA-N
34702
+ rxn:1:51540:37781,CC(=O)NCC1C(c2cccc(-n3cc(COc4nc(N5C(=O)C6=C(CCCC6)C5=O)ccc4Cl)nn3)c2)C1(F)F,HBCCQNKGVMNRNP-UHFFFAOYSA-N
34703
+ rxn:1:51540:701,CC(=O)NCC1C(c2cccc(-n3cc(CN4C(=O)COc5cc(F)c(N6C(=O)C7=C(CCCC7)C6=O)cc54)nn3)c2)C1(F)F,NHQXSYOVQKGSMB-UHFFFAOYSA-N
34704
+ rxn:1:53845:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(CCC5C(c6cnc(O)c(O)c6)C5(F)F)nn4)cc(=O)c3c2)CC1,SBLNBWDPAZJZCZ-UHFFFAOYSA-N
34705
+ rxn:1:54470:34099,CN1CCC(CC(=O)Nc2ccncc2-c2cn(CCC3C(c4ccc(C(=O)O)c(O)c4)C3(F)F)nn2)CC1,OYLQMKOMRIDSAN-UHFFFAOYSA-N
34706
+ rxn:1:54545:35444,Cc1ccc(C(=O)NC2CCC(C)(C)CC2)cc1-c1cn(CCC2C(c3cnc(C(=O)O)c(C)c3)C2(F)F)nn1,WFJGKWHDFTWBNG-UHFFFAOYSA-N
34707
+ rxn:1:54750:39418,O=C(O)C(Cc1cn(CCC2C(c3cccc(N4CCCC4)c3)C2(F)F)nn1)N1C(=O)C=CC1=O,DGZMYPSZUMLMPI-UHFFFAOYSA-N
34708
+ rxn:1:54802:34047,CC(=O)N1CCC[C@H]1C(=O)Nc1cncc(-c2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)c1,VVDLDHLBTKWPMI-UYYAODIZSA-N
34709
+ rxn:1:54803:17841,CC(=O)c1cc(-c2cn(CCC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)c2c(c1)C(C(C)C)C(=O)N2,QDLHWMBTUJSTIP-UHFFFAOYSA-N
34710
+ rxn:1:54804:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)O)c5c4)C3(F)F)nn2)CC1,MJWKVHFDCKFMRY-UHFFFAOYSA-N
34711
+ rxn:1:55369:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC2c2c(Cl)ncnc2Cl)nn1,OCGCNSZJLTXKLH-UHFFFAOYSA-N
34712
+ rxn:1:58729:9013,CCC1CCC(N(C)CCn2cc(CN(c3ccncc3)S(=O)(=O)N(C)C)nn2)CC1,AWVFKBKWKRZKSD-UHFFFAOYSA-N
34713
+ rxn:1:59092:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCCCc2cc(F)cnc2Cl)nn1,KRQRPANAFIAPEY-UHFFFAOYSA-N
34714
+ rxn:1:59095:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCCCc2cc(Cl)cnc2F)nn1,ORWOEEIIAJEDTH-UHFFFAOYSA-N
34715
+ rxn:1:59096:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCCCc2ccc(F)nc2F)nn1,JKMNPABWXYUUOD-UHFFFAOYSA-N
34716
+ rxn:1:59097:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCCCc2cc(Br)cnc2F)nn1,STNJRDOIYKTQFR-UHFFFAOYSA-N
34717
+ rxn:1:59717:25217,COC(=O)c1cc(Cl)cc(N2CC(c3cn(C4CCN(S(=O)(=O)c5cn(C)cn5)CC4)nn3)CC2=O)c1,HLPYCGIIZAXCCT-UHFFFAOYSA-N
34718
+ rxn:1:59718:12746,Cc1cc(Br)cnc1N1CCN(C(=O)c2ccc(-c3cn(C4CCCN(S(=O)(=O)c5cn(C)c(C)n5)C4)nn3)cc2)CC1,MRZFMNAJUKDSIV-UHFFFAOYSA-N
34719
+ rxn:1:59728:27164,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2cc(C3CC(=O)N(c4cc(Cl)ncc4[N+](=O)[O-])C3)nn2)CC1,COSOYJFTCSQXEA-UHFFFAOYSA-N
34720
+ rxn:1:60226:13546,CC(=O)N1CCC(C(=O)N2CCC(n3cc(-c4cccc(C(=O)Nc5c(Br)cnn5C)c4)nn3)CC2)CC1,KTMXWXSXIKHJAC-UHFFFAOYSA-N
34721
+ rxn:1:60884:32419,COCC1CC(F)(F)CN1C(=O)Cn1cc(CSC2=NC(=CN(C)C)C(=O)N2)nn1,ITEAMQNFEUCMQB-UHFFFAOYSA-N
34722
+ rxn:1:60932:9589,COC1(C(F)(F)F)CCN(CCn2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3)nn2)CC1,GRDGNZUOMYCNNW-UHFFFAOYSA-N
34723
+ rxn:1:61550:11172,O=C1CCC(=CC(=O)Nc2cccc(-c3cn(Cc4cc(OS(=O)(=O)F)cc(C(=O)O)c4)nn3)c2)CC1,ZVQGNGDDGYVTCW-UHFFFAOYSA-N
34724
+ rxn:1:62113:39418,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(n5cc(CC(C(=O)O)N6C(=O)C=CC6=O)nn5)C4)cc3C2=O)C(=O)N1,SGXXRFUMYSXZIW-UHFFFAOYSA-N
34725
+ rxn:1:62114:12278,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(-c6cc(Br)cc(OS(=O)(=O)F)c6)nn5)CC4)cc3C2=O)C(=O)N1,KOWGMCVQIBBXKZ-UHFFFAOYSA-N
34726
+ rxn:1:62114:2481,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(C6CCN(S(=O)(=O)Cl)CC6)nn5)CC4)cc3C2=O)C(=O)N1,IQTRIWDUBNRQRO-UHFFFAOYSA-N
34727
+ rxn:1:62114:39418,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(CC(C(=O)O)N6C(=O)C=CC6=O)nn5)CC4)cc3C2=O)C(=O)N1,DRMLCQPJCNDIOZ-UHFFFAOYSA-N
34728
+ rxn:1:62116:12278,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(-c6cc(Br)cc(OS(=O)(=O)F)c6)nn5)C4)cc3C2=O)C(=O)N1,HXBLXXNITQYSML-UHFFFAOYSA-N
34729
+ rxn:1:62116:39418,O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(Cn5cc(CC(C(=O)O)N6C(=O)C=CC6=O)nn5)C4)cc3C2=O)C(=O)N1,ZXGWJTTXJOCXHM-UHFFFAOYSA-N
34730
+ rxn:1:62126:9422,O=C1CCC(N2C(=O)c3cccc(N4CCC(Cn5cc(COc6ccc(Cl)cc6C=C6C(=O)NC(=O)NC6=O)nn5)C4)c3C2=O)C(=O)N1,VOPGEHXLVMQHNG-UHFFFAOYSA-N
34731
+ rxn:1:62297:20864,CC(c1ccc(F)cc1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,SHEUTANTXSTAMW-UHFFFAOYSA-N
34732
+ rxn:1:63375:24111,Cc1ccc(S(=O)(=O)N2C(=O)OC(c3cn(CC4CC(=O)N(c5ccc(S(C)(=O)=O)cc5Br)C4)nn3)c3cc(Br)ccc32)cc1,CEURPVBLDZMEGY-UHFFFAOYSA-N
34733
+ rxn:1:63376:4015,CS(=O)(=O)c1ccc(F)c(N2CC(Cn3cc(CN(c4ccc5c(c4)OCO5)S(=O)(=O)c4ccc(F)cc4)nn3)CC2=O)c1,QSOLPVVIYSCOTO-UHFFFAOYSA-N
34734
+ rxn:1:63377:24109,Cc1ccc(S(=O)(=O)N2C(=O)OC(c3cn(CC4CC(=O)N(c5cc(S(C)(=O)=O)ccc5O)C4)nn3)c3ccc(Cl)cc32)cc1,KRIDPODVMMCUTJ-UHFFFAOYSA-N
34735
+ rxn:1:63613:28153,Cc1ccc(S(=O)(=O)N2C(=O)OC(c3cn(CC4CC(=O)N(c5cc(S(C)(=O)=O)ccc5C)C4)nn3)c3cc(Cl)ccc32)cc1,SYFJDHGASAISBZ-UHFFFAOYSA-N
34736
+ rxn:2:102007:149518,Cc1cc(NC(C)c2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)c1N1CCN(C)CC1,MMSGIQSWDBKINZ-UHFFFAOYSA-N
34737
+ rxn:2:102007:166005,Cc1cc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)cc(C)c1N1CCN(C)CC1,WGIHQBDLWKDGIL-UHFFFAOYSA-N
34738
+ rxn:2:102524:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N3CCN(C)CC3)c(C(C)C)c2)C2CCCC2)cc1,QGMPHHJPOMNITF-UHFFFAOYSA-N
34739
+ rxn:2:104185:162580,CCC(Nc1ccncc1N1CCN(CC)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,VPDRCEOBKCMQLT-UHFFFAOYSA-N
34740
+ rxn:2:107304:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCC1(N(C)C)CCC(F)(F)CC1,JJYKIYUADCBHHQ-UHFFFAOYSA-N
34741
+ rxn:2:111580:162580,CCC(NC1CCN(c2ncc(C3CCN(C)C3)cn2)C1)c1ccc(N2CCS(=O)(=O)CC2)nc1,QXIOPPASKKHIEP-UHFFFAOYSA-N
34742
+ rxn:2:117286:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCCC1(N(C)C)CCCC1,UNGRAEKKXBRRNU-UHFFFAOYSA-N
34743
+ rxn:2:121682:162580,CCC(Nc1cnc(N2CCN(CC)CC2)c(C)c1)c1ccc(N2CCS(=O)(=O)CC2)nc1,QKQTYNDSHKHJCA-UHFFFAOYSA-N
34744
+ rxn:2:128736:148822,CN1CCCN(c2ncccc2NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,LKRWVLILBGDYBC-UHFFFAOYSA-N
34745
+ rxn:2:129408:125295,Cc1cc(N2CCN(C3CC3)CC2)ccc1NC1CC(CS(=O)(=O)F)C1,LPHZSRWJLZOHKY-UHFFFAOYSA-N
34746
+ rxn:2:129408:127848,Cc1cc(N2CCN(C3CC3)CC2)ccc1NC(c1ccc[nH]1)C1CCCCS1(=O)=O,UAYGYKUCFONJPN-UHFFFAOYSA-N
34747
+ rxn:2:133124:143973,Cc1cccc(OC2CCN(C)CC2)c1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,AMWCCZSTNSNHQQ-UHFFFAOYSA-N
34748
+ rxn:2:134766:86839,CC(CCN(C)C1CCN(C)CC1)NCc1cccc(N2CCS(=O)(=O)CC2)c1,XUOAKCIHCBZIOE-UHFFFAOYSA-N
34749
+ rxn:2:138716:162580,CCC(NC(C)(C)CN1CCN(c2ncccn2)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,FYVADDMLWZGLDS-UHFFFAOYSA-N
34750
+ rxn:2:139616:131663,Cc1cccc(C(CCS(C)(=O)=O)NCCN2CCC(N(C)C)CC2)c1,OMJAQJUFEAPLBH-UHFFFAOYSA-N
34751
+ rxn:2:140815:162580,CCC(NCc1cncc(N2CCN(C)CC2)n1)c1ccc(N2CCS(=O)(=O)CC2)nc1,XYVAORWPFCUXIR-UHFFFAOYSA-N
34752
+ rxn:2:148861:114498,CCC(CN1CCC(N(C)C)CC1)NC(c1ccc2oc(=O)n(C)c2c1)N(C)C,ZANXUKTYYNLRBQ-UHFFFAOYSA-N
34753
+ rxn:2:67207:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2ccc3c(c2)CCN3CCS(C)(=O)=O)C1,QAMSCBKTFUZPFC-UHFFFAOYSA-N
34754
+ rxn:2:67207:94533,CCN1CCN(CC(Nc2ccc3c(c2)CCN3CCS(C)(=O)=O)c2ccn(C)c2)CC1,PYDJXNVYDQCPHJ-UHFFFAOYSA-N
34755
+ rxn:2:68222:148822,CS(=O)(=O)c1ccc(C(Nc2ccc(C3CCCCC3)cc2N2CCCC2)C2CCCCC2)cc1,YOTAXGKWANVXPV-UHFFFAOYSA-N
34756
+ rxn:2:68222:163743,CS(=O)(=O)c1cccc(C(Nc2ccc(C3CCCCC3)cc2N2CCCC2)C2CCC2)c1,RBOJVIOAJDYATQ-UHFFFAOYSA-N
34757
+ rxn:2:68826:160422,CN1CCN(c2cccc(CCNC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)n2)CC1,AQJWAXSHLWGBMN-UHFFFAOYSA-N
34758
+ rxn:2:73290:148822,CN1CCN(Cc2ccncc2)C(CCNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,ZOXWBWCYJKGCBX-UHFFFAOYSA-N
34759
+ rxn:2:74153:148822,CN(C)C1CCN(c2ncccc2NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CC1,KWTLSVAVLYBALV-UHFFFAOYSA-N
34760
+ rxn:2:78009:153335,CCS(=O)(=O)c1ccc(C(Nc2cccnc2N2CCC(C)CC2C)C2CCCC2)cc1,BFIKWEZHRQOGAW-UHFFFAOYSA-N
34761
+ rxn:2:79967:148822,Cc1cc(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)c(N2CCN(C)CC2)cc1C,PAQTVEVUTVGKCW-UHFFFAOYSA-N
34762
+ rxn:2:79967:153335,CCS(=O)(=O)c1ccc(C(Nc2cc(C)c(C)cc2N2CCN(C)CC2)C2CCCC2)cc1,VMNLPCSTDOEIHR-UHFFFAOYSA-N
34763
+ rxn:2:82615:162580,CCC(Nc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCS(=O)(=O)CC2)nc1,SMBSEXRHOQZUSG-UHFFFAOYSA-N
34764
+ rxn:2:83277:130197,CCC(Nc1c(S(C)(=O)=O)cnn1C1CCC1)c1ccc(N2CCN(C)CC2)nc1C,BBFPXUYPXIMIAC-UHFFFAOYSA-N
34765
+ rxn:2:83277:94533,CCN1CCN(CC(Nc2c(S(C)(=O)=O)cnn2C2CCC2)c2ccn(C)c2)CC1,ROJLMDDDYFTYLI-UHFFFAOYSA-N
34766
+ rxn:2:84648:154927,Cc1cc(C(Nc2c(S(C)(=O)=O)cnn2C(C)C2CCC2)c2ccccc2)cnc1N1CCN(C)CC1,ZGGLWVAVDGNPQZ-UHFFFAOYSA-N
34767
+ rxn:2:85403:148822,CC1CC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)CCN1CCc1ccncc1,HMSYHYFIKMTZRX-UHFFFAOYSA-N
34768
+ rxn:2:85575:86839,CC(CCN(C)C1CCN(C)CC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1,GFBIQGCXTRVCNG-UHFFFAOYSA-N
34769
+ rxn:2:87117:101788,CCN1CCN(c2nc(C)c(C(C)Nc3ccc4c(c3)CN(C)CCS4(=O)=O)c(C)n2)CC1,ICXZGDMNOPLHJX-UHFFFAOYSA-N
34770
+ rxn:2:87210:153335,CCS(=O)(=O)c1ccc(C(NCc2ccc(N3CCCN(C)CC3)cc2)C2CCCC2)cc1,SLOHMEQFPKZQEX-UHFFFAOYSA-N
34771
+ rxn:2:89493:153335,CCN1CCC(C(CNC(c2ccc(S(=O)(=O)CC)cc2)C2CCCC2)c2ccccc2)CC1,YKGYWJGCAIMZPR-UHFFFAOYSA-N
34772
+ rxn:2:92087:153335,CCS(=O)(=O)c1ccc(C(NCc2cnc(N3CCN(C)CC3)cc2C)C2CCCC2)cc1,MVOONBPYZKXCJN-UHFFFAOYSA-N
34773
+ rxn:2:93320:121598,CC(CCNC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1cccc(C2CCCN(C)C2)c1,ZFWUQEDQNQOOQN-UHFFFAOYSA-N
34774
+ rxn:2:94537:121598,CS(=O)(=O)c1cccc(C(Nc2cc(C3CCCCC3)ccc2N2CCCC2)C2CC2)c1,MDYGYLIMPLQZRR-UHFFFAOYSA-N
34775
+ rxn:2:94537:163743,CS(=O)(=O)c1cccc(C(Nc2cc(C3CCCCC3)ccc2N2CCCC2)C2CCC2)c1,SEQMELXJAYDTCM-UHFFFAOYSA-N
34776
+ rxn:2:94875:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCC1CN(C)CC1(F)F,SCSQIBMSYNYWIP-UHFFFAOYSA-N
34777
+ rxn:2:99192:153335,CCS(=O)(=O)c1ccc(C(Nc2ccc(N3CCN(C(C)(C)C)CC3)cc2)C2CCCC2)cc1,GALSDPNLLBYMHJ-UHFFFAOYSA-N
34778
+ rxn:3:44822:6403:129999,CN1CCN(c2ncc(-c3cn(CCC#Cc4cc(C(=O)Nc5ccccc5OS(=O)(=O)F)c(F)cn4)nn3)cn2)CC1,BPRNYZJCYSFJAP-UHFFFAOYSA-N
34779
+ rxn:3:49485:7075:69415,CC(C)c1cc(NC(=O)C2CC(n3cc(-c4cccnc4N4CCN(C)CC4)nn3)C2)ccc1OS(=O)(=O)F,IGSVHXXCSONOCQ-UHFFFAOYSA-N