urdof7 commited on
Commit
06f9dca
·
verified ·
1 Parent(s): 0d75e51

Added 322 molecules from epoch 17425 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +322 -0
O15379_molecules.csv CHANGED
@@ -26711,3 +26711,325 @@ rxn:1:7206:59586,CC1(C)OB(C(F)=C(Cn2cc(-c3cncc(OC4CCNC4)n3)nn2)c2cccc([N+](=O)[O
26711
  rxn:1:8006:49514,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCN(C)CC(CO)C4)nn3)c2)C1(F)F,UTAXHZLCUXSBJW-UHFFFAOYSA-N
26712
  rxn:1:8323:49061,CC1(C)CN(CCn2cc(C(=O)N3CCC(c4cccc(Cc5cccc(F)c5)n4)CC3)nn2)CCS1,SXXPLYQMVDMTBD-UHFFFAOYSA-N
26713
  rxn:1:8443:44519,C[Si](C)(C)OC1COCC1n1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(Cl)c3)CC2)nn1,TYISNKXHXFPUBP-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
26711
  rxn:1:8006:49514,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCN(C)CC(CO)C4)nn3)c2)C1(F)F,UTAXHZLCUXSBJW-UHFFFAOYSA-N
26712
  rxn:1:8323:49061,CC1(C)CN(CCn2cc(C(=O)N3CCC(c4cccc(Cc5cccc(F)c5)n4)CC3)nn2)CCS1,SXXPLYQMVDMTBD-UHFFFAOYSA-N
26713
  rxn:1:8443:44519,C[Si](C)(C)OC1COCC1n1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(Cl)c3)CC2)nn1,TYISNKXHXFPUBP-UHFFFAOYSA-N
26714
+ rxn:3:10393:63963:83860,O=C1CC(Cn2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)CN1C1(C(=O)Nc2cccc(OS(=O)(=O)F)c2)CCCC1,QVCXGDVKNQHHSL-UHFFFAOYSA-N
26715
+ rxn:3:10393:63966:118204,O=C1CC(Cn2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)CN1C1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCCC1,GFQVTKSQEMKIQX-UHFFFAOYSA-N
26716
+ rxn:3:11519:51281:109503,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCO5)CC4)cc3)C2(F)F)nn1,PTIFXRHWVZTRPU-UHFFFAOYSA-O
26717
+ rxn:3:11519:51281:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCCO5)CC4)cc3)C2(F)F)nn1,KODIPLYZSKQZRB-UHFFFAOYSA-O
26718
+ rxn:3:11519:51282:109503,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3cccc(C4(C(=O)NC5CCO5)CC4)c3)C2(F)F)nn1,ICPKEQQSHVPDRY-UHFFFAOYSA-O
26719
+ rxn:3:11519:51282:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3cccc(C4(C(=O)NC5CCCO5)CC4)c3)C2(F)F)nn1,HRZULQHPEBQLMJ-UHFFFAOYSA-O
26720
+ rxn:3:11519:51283:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccccc3C3(C(=O)NC4CCCO4)CC3)C2(F)F)nn1,RQMGKJVCJVPGKA-UHFFFAOYSA-O
26721
+ rxn:3:11519:59852:100874,C=C(C)C[N+](C)(C)Cc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4(OC)CS(=O)(=O)C4)C3)C2)nn1,HICLCOMLQJEDDP-OPSDPNGSSA-O
26722
+ rxn:3:11519:62781:120779,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CC3)C2)nn1,NTLLUYCRJSHYSW-UHFFFAOYSA-O
26723
+ rxn:3:12139:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C(F)(F)c4cncnc4)nn3)C2)CCO1,ZQQMYKVGFOQEJS-KOFGWKMWSA-N
26724
+ rxn:3:12213:62781:103471,CN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)CCc4ccsc4)C4CC4)C3)nn2)C1,UIQDRDICNOYXEU-PLMQIDHYSA-N
26725
+ rxn:3:12213:62781:87323,CN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)Cc4ccsc4)C4CC4)C3)nn2)C1,DNNPJCSAXGNOJA-RQOSSDEQSA-N
26726
+ rxn:3:12214:62645:109510,CCN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C)C(=O)NC(c4cccs4)c4ccccc4OC)C3)nn2)C1,HLFTYEIBTWFUQI-YKRCATHFSA-N
26727
+ rxn:3:12214:62781:87323,CCN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)Cc4ccsc4)C4CC4)C3)nn2)C1,RINNIORCRCYMAJ-PLMQIDHYSA-N
26728
+ rxn:3:1298:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cnc(C(F)(F)F)s5)nn4)C3)CCO2)CCCC1,LDELMRIAADTPFK-KUBVQFIISA-N
26729
+ rxn:3:14425:54804:105484,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6cccc7cc(C)c(C)cc67)c5c4)C3(F)F)nn2)CC1,DHDRMIIXCPWDDZ-UHFFFAOYSA-N
26730
+ rxn:3:14425:54804:67451,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6ccc(C)c7cccc(C)c67)c5c4)C3(F)F)nn2)CC1,GBMRMDYKCYHBCH-UHFFFAOYSA-N
26731
+ rxn:3:14425:54804:84402,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6ccc(C)c(C)c6)c5c4)C3(F)F)nn2)CC1,PYMRYVRCXZICSR-UHFFFAOYSA-N
26732
+ rxn:3:16779:59852:104288,Cc1c(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5cccccc5=O)C4)C3)nn2)cnn1CC(F)(F)F,IPCVSJOKJUCREU-AHTUAUCYSA-N
26733
+ rxn:3:1687:44822:104288,CC(C)(c1cn(CCC#Cc2cc(C(=O)Nc3cccccc3=O)c(F)cn2)nn1)N1[Si](C)(C)CC[Si]1(C)C,HZUYKMJCPZVIMM-UHFFFAOYSA-N
26734
+ rxn:3:1753:62782:100710,CC(NC(=O)C(C1CCCC1)N1CC(Cn2cc(CSc3ccc(F)cc3F)nn2)CC1=O)C1CSC1,RMNURFZWRZRSSC-UHFFFAOYSA-N
26735
+ rxn:3:1754:62782:100584,C[C@H](NC(=O)C(C1CCCC1)N1CC(Cn2cc(CSc3ccc(F)c(F)c3)nn2)CC1=O)C1CC1,KCZZTPVZIWJHFL-YSIXZZNSSA-N
26736
+ rxn:3:1912:62781:75840,CN(C)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,NYVPPKCAIHCODZ-UHFFFAOYSA-N
26737
+ rxn:3:1912:62781:98432,CN(C)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NOCc3ccsc3)C3CC3)C2)nn1,GPWBEHBBPBVCQV-UHFFFAOYSA-N
26738
+ rxn:3:1919:62781:75840,CCN(CC)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,RGSJHAYCYCGWRO-UHFFFAOYSA-N
26739
+ rxn:3:21151:51060:128176,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccc5oc(=O)oc5c4)c(OC)c3)C2(F)F)nn1,NQQICYCTBQUZHR-UHFFFAOYSA-N
26740
+ rxn:3:21151:51060:71470,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccsc4)c(OC)c3)C2(F)F)nn1,JKNGQTYGCSFQQZ-UHFFFAOYSA-N
26741
+ rxn:3:21151:51063:128176,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(OC)cc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,FNNGSTBPADLBJM-UHFFFAOYSA-N
26742
+ rxn:3:23036:65592:112976,C[Si](C)(C)ONC(=O)Cc1nnc(N2CC(Cn3cc(-c4ccc(CN5CCC(F)(F)CC5)cc4)nn3)CC2=O)[nH]1,NOEOIQSGFYMLPT-UHFFFAOYSA-N
26743
+ rxn:3:23036:65592:77864,COC1CC(NC(=O)Cc2nnc(N3CC(Cn4cc(-c5ccc(CN6CCC(F)(F)CC6)cc5)nn4)CC3=O)[nH]2)C1(C)C,AWDCARSLGRLXKO-UHFFFAOYSA-N
26744
+ rxn:3:23145:63963:151783,O=C1CC(Cn2cc(C3CN(C4CCC4)C3)nn2)CN1C1(C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CCCC1,JFCQSDIKFWVRAK-UHFFFAOYSA-N
26745
+ rxn:3:23145:63966:151783,O=C1CC(Cn2cc(C3CN(C4CCC4)C3)nn2)CN1C1(C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CCCCC1,ODAYJUVYFKKWDM-UHFFFAOYSA-N
26746
+ rxn:3:23188:63988:71310,N#CC1(Cc2cn(CC3CC(=O)N(CC(=O)NC(c4ccsc4)C4CCCCCC4)C3)nn2)CC(F)(F)C1,PKDXHQIBZCDZAD-UHFFFAOYSA-N
26747
+ rxn:3:23188:65592:107905,COCc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)cc1,BSOOVPODLXIPQS-UHFFFAOYSA-N
26748
+ rxn:3:23188:65592:124926,C[Si](C)(C)C#Cc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,LTDOSNKOTCCISE-UHFFFAOYSA-N
26749
+ rxn:3:23188:65592:67625,CCOc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,JTMLVTBDKPXGKJ-UHFFFAOYSA-N
26750
+ rxn:3:23188:65592:80609,N#CC1(Cc2cn(CC3CC(=O)N(c4nnc(CC(=O)NC5CCc6sccc65)[nH]4)C3)nn2)CC(F)(F)C1,IJRPUUGXJNZXLD-UHFFFAOYSA-N
26751
+ rxn:3:24210:59852:97485,CC(c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccs4)C3)C2)nn1)N1CC(F)C1,HOUSBFWEPAAPDJ-URTYCYGZSA-N
26752
+ rxn:3:24229:65592:106788,CCC(CC)(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccsc1,SFKUCDIJOGTNFY-UHFFFAOYSA-N
26753
+ rxn:3:24229:65592:116522,CCC[C@H](NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,PEBFJCJYSLJCND-WTZHAPHZSA-N
26754
+ rxn:3:24229:65592:127049,CCC[C@@H](NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,PEBFJCJYSLJCND-QCAWOLQUSA-N
26755
+ rxn:3:24229:65592:88861,CCC(CC)(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,HUBFDHYFOYAUJF-UHFFFAOYSA-N
26756
+ rxn:3:2469:62466:83860,CN(CC1CCC1)C(C)(C)c1cn(C2CCC(C(=O)Nc3cccc(OS(=O)(=O)F)c3)C3CCC32)nn1,SOBRJBHUYYLLLS-UHFFFAOYSA-N
26757
+ rxn:3:2577:62646:77797,CC(C)(CF)c1cn(CC2CC(=O)N(C(C(=O)NC3CCOC(c4cccs4)C3)C(C)(C)C)C2)nn1,BZYBXFJJHSAGEH-UHFFFAOYSA-N
26758
+ rxn:3:2766:59852:110440,CC(C)(CC(F)(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCS(=O)(=O)C4CCOCC4)C3)C2)nn1,MGNFNCGQUJGDAM-AQFHOAJTSA-N
26759
+ rxn:3:2787:65592:124926,C[Si](C)(C)C#Cc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5CCC(F)(F)CC5)nn4)CC3=O)[nH]2)c1,QMFCAJLLZKZJJL-UHFFFAOYSA-N
26760
+ rxn:3:28204:59852:80121,C=C1CN2CCCC2(c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc6c(c5)CC(F)C6)C4)C3)nn2)C1,OCHHLHKMKWMLMV-MZLDYQFMSA-N
26761
+ rxn:3:29726:59842:148343,C[Si](C)(C)C#Cc1ccc2cc(NC(=O)[C@H]3CC=C[C@H](n4cc(C5=CCCCCCCCCCC5)nn4)C3)ccc2c1,ZKCJUHRVZJOQFR-TWJUONSBSA-N
26762
+ rxn:3:31053:59852:111811,C=CCSCc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4CC(F)(F)C4)C3)C2)nn1,SVAUZVNXONWXNU-RIBPFEIKSA-N
26763
+ rxn:3:31205:59852:66248,N#Cc1nc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(F)C5)C4)C3)nn2)ccc1F,JAPHZZWJXAQAPZ-MBKZYJJVSA-N
26764
+ rxn:3:31278:62466:132922,CCOCC(NC(=O)C1CCC(n2cc(C34CCCN3CC(F)C4)nn2)C2CCC12)c1ccccc1,UQLHAHQRTDDNGA-UHFFFAOYSA-N
26765
+ rxn:3:31381:62781:75840,CC[Si](CC)(CC)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,LJVWWRRSMDLBSU-UHFFFAOYSA-N
26766
+ rxn:3:31535:59852:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CC1,UVGFNBLKKWKOSL-JQSIVHCRSA-N
26767
+ rxn:3:31535:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CCCC1,DBZMRDUTPSVAQV-FKHRANHKSA-N
26768
+ rxn:3:31535:59852:98009,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CCCCC1,WTKWTWHBRQMEGL-HDOOXHBUSA-N
26769
+ rxn:3:31535:62653:84875,CC(C)C(C(=O)NC1CCC[Si](C)(C)CC1)N1CC(Cn2cc(CSc3ccnc(C(F)(F)F)c3)nn2)CC1=O,OXGFASHXLCIZCS-UHFFFAOYSA-N
26770
+ rxn:3:31769:62645:89771,CC(C(=O)NCCSC[Si](C)(C)C)N1CC(Cn2cc(C3=CCC(F)(F)CC3)nn2)CC1=O,ZEEKIBGHNGXDOP-UHFFFAOYSA-N
26771
+ rxn:3:31795:59852:69859,N#Cc1ncc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)N[C@H]4CC[Se]C4)C3)C2)nn1,IKHHLHOLZPOYRN-QKLBNAGHSA-N
26772
+ rxn:3:31795:59852:73728,N#Cc1ncc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC4)C3)C2)nn1,IQPVYIDBZGPBAD-ULUSDLDDSA-N
26773
+ rxn:3:31795:62784:123559,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N(C(C(=O)NCCSc3cccs3)C3CCCCC3)C2)nn1,XJUQRSAVTKODNF-UHFFFAOYSA-N
26774
+ rxn:3:35117:59852:80121,C=C(C)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4ccc5c(c4)CC(F)C5)C3)C2)nn1,YWYFXTSSCQMGSW-KSASVDEESA-N
26775
+ rxn:3:3716:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnn4C4CC4(F)F)nn3)C2)CCO1,GOJZWGUENMYTMV-JDPPGYRCSA-N
26776
+ rxn:3:3748:49937:71470,CC1(C#N)CCCN(CCc2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccsc4)C3(F)F)nn2)C1,YOLPLWROWRSPQH-UHFFFAOYSA-N
26777
+ rxn:3:376:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C(F)(F)F)c4)nn3)C2)CCO1,DAYDKJCEJJIMBF-OJDRRSAWSA-N
26778
+ rxn:3:376:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C(F)(F)F)c4)nn3)C2)CCO1,OPDJBIARZKCWFQ-BCYRDIKASA-N
26779
+ rxn:3:38912:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnc(C(F)(F)F)n4)nn3)C2)CCO1,SGYDXPWKVGFLFA-SXMVJOELSA-N
26780
+ rxn:3:38912:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccnc(C(F)(F)F)n5)nn4)C3)CCO2)CCCC1,JTZBKWWPJDXWAI-IERKJGKXSA-N
26781
+ rxn:3:39072:49937:68801,CC1=C(C=Cc2cn(CC3C(c4cn[nH]c4C(=O)NC[Si](C)(C)c4ccccc4)C3(F)F)nn2)C(C)(C)CCC1,SPNDSYDTZJASFC-UHFFFAOYSA-N
26782
+ rxn:3:39072:49937:72614,CC1=C(C=Cc2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccc(O[Si](C)(C)C)cc4)C3(F)F)nn2)C(C)(C)CCC1,XLWIJQDTTIKSPR-UHFFFAOYSA-N
26783
+ rxn:3:40007:8620:69401,COCCCNC(=O)c1cscc1C=CCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,OCAPWDADPWVTIK-UHFFFAOYSA-N
26784
+ rxn:3:40555:8620:80289,CCC(NC(=O)c1ccc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1cscc1C,CXKCQDQBUPVOEH-UHFFFAOYSA-N
26785
+ rxn:3:40559:35117:69509,C=C(C)c1cn(CC=Cc2cccc(C(=O)NCC3(OCC)CCC(F)(F)CC3)n2)nn1,QUOONOUEEFRSQF-UHFFFAOYSA-N
26786
+ rxn:3:40784:279:140411,COC(CNC(=O)c1cc(C=CCn2cc(Cc3nncs3)nn2)ccc1C)C1CCC(F)(F)CC1,SEMDFZFWOBKZSZ-UHFFFAOYSA-N
26787
+ rxn:3:40791:279:140411,COC(CNC(=O)c1ccc(C=CCn2cc(Cc3nncs3)nn2)c(C)c1)C1CCC(F)(F)CC1,SHAZWMUVDHDOQT-UHFFFAOYSA-N
26788
+ rxn:3:40792:35117:68267,C=C(C)c1cn(CC=Cc2ccccc2CC(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,MCJOWMPCPISQNJ-UHFFFAOYSA-N
26789
+ rxn:3:40863:12214:69795,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cnn([C@@H](C)C(=O)N[C@H]4C[C@H](c5ccc(OC)cc5)C4)c3)nn2)C1,CAROOHYWYFUFHN-FJNHTJRESA-N
26790
+ rxn:3:40863:35117:68267,C=C(C)c1cn(CC=Cc2cnn([C@@H](C)C(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,BGDAHNHKXODULW-SFHVURJKSA-N
26791
+ rxn:3:40949:16799:69106,CCc1c(-c2cn(CC=Cc3ccc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)cnn1C1CC1,ORRHPLJLBXWDSF-UHFFFAOYSA-N
26792
+ rxn:3:41037:35117:69123,C=C(C)c1cn(CC=Cc2ccc(F)c(CC(=O)NC3(CCOC)CCOC3)c2)nn1,QOELVNGESBFTDU-UHFFFAOYSA-N
26793
+ rxn:3:41042:2259:69859,CCN1CCC(c2cn(CC=Cc3ccc(CC(=O)N[C@H]4CC[Se]C4)c(F)c3)nn2)CC1,MFUBJRBOQHMDQO-NRFANRHFSA-N
26794
+ rxn:3:42129:12214:66086,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(C(=O)N[C@@H](c4ccc(OC)cc4C)C4CC4)s3)nn2)C1,NKKVKUUXCSAOJY-FKCDAAJZSA-N
26795
+ rxn:3:42129:12214:66743,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(C(=O)N[C@@H](c4ccccc4OC)C4CC4)s3)nn2)C1,DTVRQEQLUPXLKO-XLGIIRLISA-N
26796
+ rxn:3:42132:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cscc3C(=O)NC(c3ccc(OC)cc3)C3CC3)nn2)C1,ZPLVKLPWZDGHDW-DXCPIXMJSA-N
26797
+ rxn:3:42419:16799:69106,CCc1c(-c2cn(CC#Cc3csc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)cnn1C1CC1,VCCNSDAQKZJHJO-UHFFFAOYSA-N
26798
+ rxn:3:42679:8620:65938,CN(C)C1(c2cn(CC#Cc3cncc(C(=O)NCC4COCCS(=O)(=O)C4)c3)nn2)CCC(F)(F)CC1,GVZUPXRIHYXWTG-UHFFFAOYSA-N
26799
+ rxn:3:42679:8620:66276,CN(C)C1(c2cn(CC#Cc3cncc(C(=O)NC[C@]45C[C@H]4CS(=O)(=O)C5)c3)nn2)CCC(F)(F)CC1,CVALBVJMVCXVTG-REWPJTCUSA-N
26800
+ rxn:3:42680:8620:68011,CCCC(NC(=O)c1ccc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1ccoc1,VLDFJGXCAWQFHU-UHFFFAOYSA-N
26801
+ rxn:3:42680:8620:68326,CCCC(NC(=O)c1ccc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1cccs1,OMJWOMFWXJAKQC-UHFFFAOYSA-N
26802
+ rxn:3:42681:5180:134908,CCCC(Cc1cn(CC#Cc2cccnc2C(=O)NCC2CC(C)(C)CC(F)(F)C2)nn1)c1cccnc1,XEFMGUGQOSGTPX-UHFFFAOYSA-N
26803
+ rxn:3:42686:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ncccc3C(=O)NC(c3ccc(OC)cc3)C3CC3)nn2)C1,HXRYDVBKZSNTCP-OPMJYIBYSA-N
26804
+ rxn:3:42686:5180:134908,CCCC(Cc1cn(CC#Cc2ncccc2C(=O)NCC2CC(C)(C)CC(F)(F)C2)nn1)c1cccnc1,XIXYJWMHSYPXDE-UHFFFAOYSA-N
26805
+ rxn:3:42688:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccnc(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,IFLOLVPPIQBIRZ-OPMJYIBYSA-N
26806
+ rxn:3:42987:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cnn([C@@H](C)C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,ACTQDKOXIPLSMK-KFSVJYEPSA-N
26807
+ rxn:3:43040:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cnc(F)c(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,JHMDMXJKYUZATI-LBHOTPKDSA-N
26808
+ rxn:3:43074:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(CC(=O)NC(c4ccc(OC)cc4)C4CC4)nc3)nn2)C1,HNNDGBPDKOJUIJ-CRMLLVLTSA-N
26809
+ rxn:3:43162:35117:66041,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NC3CCC(CCCCC)CC3)c2)nn1,UATSZXUHQUIDHD-UHFFFAOYSA-N
26810
+ rxn:3:43162:35117:67005,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H](CCC)C3CCCC3)c2)nn1,UXRZEHMPQVJELQ-HSZRJFAPSA-N
26811
+ rxn:3:43162:35117:69123,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NC3(CCOC)CCOC3)c2)nn1,VEJKDINUFIRXNC-UHFFFAOYSA-N
26812
+ rxn:3:43162:35117:69787,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NCC3CC(CCCC)C3)c2)nn1,NXYTXEIKFHEEHW-UHFFFAOYSA-N
26813
+ rxn:3:43163:35117:67005,C=C(C)c1cn(CC#Cc2cc(CC(=O)N[C@H](CCC)C3CCCC3)ccc2F)nn1,UNMCGTNNDBKDTP-HSZRJFAPSA-N
26814
+ rxn:3:43164:35117:67005,C=C(C)c1cn(CC#Cc2ccc(CC(=O)N[C@H](CCC)C3CCCC3)cc2F)nn1,UIHHNJHKLZBDMG-HSZRJFAPSA-N
26815
+ rxn:3:43166:35117:67005,C=C(C)c1cn(CC#Cc2ccc(CC(=O)N[C@H](CCC)C3CCCC3)c(F)c2)nn1,JCDKTQIADQPBIL-HSZRJFAPSA-N
26816
+ rxn:3:43231:12214:67346,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cc(OC)cc(C(=O)NCC(OC)c4ccc(C)s4)c3)nn2)C1,UFNGSZULDFPDNG-PSJAQFSKSA-N
26817
+ rxn:3:43417:2577:67879,CC(C)(CF)c1cn(C2C=CCC(C(=O)NCCCO[Si](C)(C)C)C2)nn1,OWVBFCQZVKWJNW-UHFFFAOYSA-N
26818
+ rxn:3:43417:5477:65834,CCCC(CCC)NC(=O)C1CC=CC(n2cc(-c3cnn(C4CC4(F)F)c3)nn2)C1,ZZOLVYUMMHVLGU-UHFFFAOYSA-N
26819
+ rxn:3:43417:8615:68267,CCC(c1cn(C2C=CCC(C(=O)NC3(CCOC)CCC(F)(F)CC3)C2)nn1)N(C)C,FPNCSBBYPPOYRH-UHFFFAOYSA-N
26820
+ rxn:3:43417:8620:111189,CC(C#C[Si](C)(C)C)NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1,PDJMRLQMUDHGCQ-UHFFFAOYSA-N
26821
+ rxn:3:43417:8620:123623,CCC(CC)C(NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccccc1C,ILCURBNFINYQOR-UHFFFAOYSA-N
26822
+ rxn:3:43417:8620:67073,CCC(CC)C(NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccc(C)c(C)c1,VRWSXTGGWGLHPN-UHFFFAOYSA-N
26823
+ rxn:3:43417:8680:108703,C[Si](C)(C)C(NC(=O)C1CC=CC(n2cc(C3CC4(CCC(F)(F)CC4)C3)nn2)C1)[Si](C)(C)C,CUAXCZUYEWGWGL-UHFFFAOYSA-N
26824
+ rxn:3:43458:17566:69106,CCOCC(C(=O)NC1CCC(F)(F)c2cc(OC)ccc21)n1cc(-c2cc(CC)n(C3CCC3)n2)nn1,LCSCQNADLODOBN-UHFFFAOYSA-N
26825
+ rxn:3:43458:39139:66849,CCOCC(C(=O)NC1CC(F)c2ccccc21)n1cc(C(CN2CCCC2)N2CCCC2)nn1,BWAZODSIYQUZQB-UHFFFAOYSA-N
26826
+ rxn:3:43458:39139:67120,CCOCC(C(=O)NC1c2ccccc2OCC1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,JIZUEZUTNBGDNY-UHFFFAOYSA-N
26827
+ rxn:3:43458:39139:82573,CCOCC(C(=O)NC1CCc2ccccc2C1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,VMJRFLKIGWERIH-UHFFFAOYSA-N
26828
+ rxn:3:43458:39139:99126,CCOCC(C(=O)NC1c2ccccc2CCC1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,ZTTTZICZJJKDEB-UHFFFAOYSA-N
26829
+ rxn:3:43458:4461:86559,CCOCC(C(=O)NC1C(F)(F)C12CC2)n1cc(CN(C)C(C)c2cccs2)nn1,PRDGCXJPTAXLBS-UHFFFAOYSA-N
26830
+ rxn:3:43458:8620:68900,CCOCC(C(=O)NC(CC)c1ccco1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,GRFRWKFBIFBQSN-UHFFFAOYSA-N
26831
+ rxn:3:43779:6514:141641,C=C(C)CC(C)(C)c1cn(-c2ccccc2C#CCC(=O)N[C@H]2CC[C@H](CCCOC)CC2)nn1,FGGOMVVMGZLSCE-ALOJWSFFSA-N
26832
+ rxn:3:43780:1022:66627,CCN(C)CCc1cn(-c2cccc(C#CCC(=O)NC3CC(F)(F)CCC3(C)C)c2)nn1,GMQBZNBGQFXGJJ-UHFFFAOYSA-N
26833
+ rxn:3:43780:1032:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(CCN3CCN(C)CC3)nn2)c1,NWVZYANYDGSGDN-UHFFFAOYSA-N
26834
+ rxn:3:43780:1032:69401,COCCCNC(=O)CC#Cc1cccc(-n2cc(CCN3CCN(C)CC3)nn2)c1,WMVOMSHMNQFJTM-UHFFFAOYSA-N
26835
+ rxn:3:43780:1299:68267,COCCC1(NC(=O)CC#Cc2cccc(-n3cc(-c4cc(C)n(C)n4)nn3)c2)CCC(F)(F)CC1,FRGXMEGJZFPLHU-UHFFFAOYSA-N
26836
+ rxn:3:43780:17566:69871,CCc1cc(-c2cn(-c3cccc(C#CCC(=O)NC(C)CC4CCC(F)(F)CC4)c3)nn2)nn1C1CCC1,KOZJCYPKADJOCR-UHFFFAOYSA-N
26837
+ rxn:3:43780:1911:123778,C=CCN(C)Cc1cn(-c2cccc(C#CCC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1,QGVWWDGEOGYNKZ-UHFFFAOYSA-N
26838
+ rxn:3:43780:1911:68267,C=CCN(C)Cc1cn(-c2cccc(C#CCC(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,QECZPLBODIQADJ-UHFFFAOYSA-N
26839
+ rxn:3:43780:2608:69871,CCCCC(C)(C)c1cn(-c2cccc(C#CCC(=O)NC(C)CC3CCC(F)(F)CC3)c2)nn1,AJHWGAQTJPOOBB-UHFFFAOYSA-N
26840
+ rxn:3:43780:2787:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc(CC3CCC(F)(F)CC3)nn2)c1,SNWBPUCBSYXJGE-UHFFFAOYSA-N
26841
+ rxn:3:43780:3295:68267,CCn1cnc(-c2cn(-c3cccc(C#CCC(=O)NC4(CCOC)CCC(F)(F)CC4)c3)nn2)c1,YBIZZNULTXMNOQ-UHFFFAOYSA-N
26842
+ rxn:3:43780:367:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4cnn(C(F)F)c4)nn3)c2)CC1,WSFIFWYLLULTKH-UHFFFAOYSA-N
26843
+ rxn:3:43780:3716:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccnn4C4CC4(F)F)nn3)c2)CC1,OBYWLRBOOAVVNV-UHFFFAOYSA-N
26844
+ rxn:3:43780:3716:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccnn4C4CC4(F)F)nn3)c2)C12CCC2,CUKGNTQRKMCTTN-UHFFFAOYSA-N
26845
+ rxn:3:43780:3731:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccn(C5CC5(F)F)n4)nn3)c2)CC1,GMKRXQRTZJJHBR-UHFFFAOYSA-N
26846
+ rxn:3:43780:39618:70754,COCCC(NC(=O)CC#Cc1cccc(-n2cc(CN(C)C3CCN(C)CC3)nn2)c1)c1ccsc1,CXQPURGOQQXYFM-UHFFFAOYSA-N
26847
+ rxn:3:43780:5180:123778,CCCC(Cc1cn(-c2cccc(C#CCC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1)c1cccnc1,LQLSMSRZQCUTBO-UHFFFAOYSA-N
26848
+ rxn:3:43780:5180:134908,CCCC(Cc1cn(-c2cccc(C#CCC(=O)NCC3CC(C)(C)CC(F)(F)C3)c2)nn1)c1cccnc1,UIYGGUISXPESIK-UHFFFAOYSA-N
26849
+ rxn:3:43780:5181:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(CC(CC)c4ccncc4)nn3)c2)C12CCC2,CBOUHNPPVHCLEH-UHFFFAOYSA-N
26850
+ rxn:3:43780:5478:66897,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(CN3CCC(N(C)C)C3)nn2)c1)c1cc(OC)ccc1OC,UKTZOHIWIFEAKD-MPSNESSQSA-N
26851
+ rxn:3:43780:6142:69106,CCC1CC(Cc2c(-c3cn(-c4cccc(C#CCC(=O)NC5CCC(F)(F)c6cc(OC)ccc65)c4)nn3)cnn2C)C1,VCJWWZJNRASAKZ-UHFFFAOYSA-N
26852
+ rxn:3:43780:6365:68267,COCCC1(NC(=O)CC#Cc2cccc(-n3cc(-c4ccc(C5CC5)nn4)nn3)c2)CCC(F)(F)CC1,MRYWERLSYCIMGK-UHFFFAOYSA-N
26853
+ rxn:3:43780:6386:69509,CCOC1(CNC(=O)CC#Cc2cccc(-n3cc(-c4nnc(C5CC5)s4)nn3)c2)CCC(F)(F)CC1,ALHZXHPWXNCMEL-UHFFFAOYSA-N
26854
+ rxn:3:43780:6389:68267,CCc1cnc(-c2cn(-c3cccc(C#CCC(=O)NC4(CCOC)CCC(F)(F)CC4)c3)nn2)nc1,HHFDDARGQXUIEP-UHFFFAOYSA-N
26855
+ rxn:3:43780:6550:68267,C=CCC(C)(C)c1cn(-c2cccc(C#CCC(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,RWHYQTFAHVRULC-UHFFFAOYSA-N
26856
+ rxn:3:43780:7081:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc([C@H]3CC[C@H](C(F)F)CC3)nn2)c1,VTMGIVZBFZNIHL-MEMLXQNLSA-N
26857
+ rxn:3:43780:7081:67879,C[Si](C)(C)OCCCNC(=O)CC#Cc1cccc(-n2cc([C@H]3CC[C@H](C(F)F)CC3)nn2)c1,BKZVTFFQKVVMNO-MEMLXQNLSA-N
26858
+ rxn:3:43780:7558:116907,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1cc(OC)cc(OC)c1,BTPLHHFVFYGVSV-PGUFJCEWSA-N
26859
+ rxn:3:43780:7558:121163,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1ccc(OC)cc1,DQKDBHABETYVIA-UUWRZZSWSA-N
26860
+ rxn:3:43780:7558:135020,CC[C@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1cccc(OC)c1,DPZUGIMMNGQEAA-UMSFTDKQSA-N
26861
+ rxn:3:43780:7852:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCN(C)CC3)nn2)c1,VUKFFPWSIRIKNW-UHFFFAOYSA-N
26862
+ rxn:3:43780:7852:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCN(C)CC3)nn2)c1,VQVWLJDUROBEAF-UHFFFAOYSA-N
26863
+ rxn:3:43780:8620:126598,COCCC(NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1sccc1C,BEUYVTJCOHMWCA-UHFFFAOYSA-N
26864
+ rxn:3:43780:8634:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCC3)nn2)c1,XSPKHCFMGAIOPX-UHFFFAOYSA-N
26865
+ rxn:3:43780:981:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(C(C)N(C)C)nn3)c2)C12CCC2,VZLOKJMQWCAJKN-UHFFFAOYSA-N
26866
+ rxn:3:44002:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CCC#Cc3ccc(C(=O)NC(c4ccc(OC)cc4)C4CC4)s3)nn2)C1,FHRVJKYTDRBNTO-OPMJYIBYSA-N
26867
+ rxn:3:44517:35117:69561,C=C(C)c1cn(CCC#Cc2ccc(C(=O)NCC(OCC)C3CCC(F)(F)CC3)cn2)nn1,VFWBBGUATUUSKX-UHFFFAOYSA-N
26868
+ rxn:3:44520:35051:134908,CCCc1ccc(-c2cn(CCC#Cc3ccnc(C(=O)NCC4CC(C)(C)CC(F)(F)C4)c3)nn2)cc1,HXNZAPGGZUKAOS-UHFFFAOYSA-N
26869
+ rxn:3:44824:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CCC#Cc3nccc(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3F)nn2)C1,JHNBNUNTUUDRAC-KDKXARBFSA-N
26870
+ rxn:3:45142:12214:69875,CCN1C[C@@H](F)[C@H](c2cn(-c3ccc(OCC(=O)NCC(C)(C)C(C)C)cc3)nn2)C1,XEPHYLJUPXPZRM-WOJBJXKFSA-N
26871
+ rxn:3:45332:35117:68267,C=C(C)c1cn(-c2ccccc2C=CCC(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,AHABFEIXNLZGNE-UHFFFAOYSA-N
26872
+ rxn:3:45333:12214:69760,CCN1C[C@@H](F)[C@H](c2cn(-c3cccc(C=CCC(=O)NC(C)(C)C4CCO4)c3)nn2)C1,PSKGLLMWJAYVFP-JLMWTWJWSA-N
26873
+ rxn:3:45840:35117:68267,C=C(C)c1cn(CCC=Cc2cccc(C(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,ZYWSIIIPGFOSGE-UHFFFAOYSA-N
26874
+ rxn:3:46054:8620:65938,CN(C)C1(c2cn(CCC=Cc3ccc(C(=O)NCC4COCCS(=O)(=O)C4)nc3)nn2)CCC(F)(F)CC1,PULIHDJECPGUMQ-UHFFFAOYSA-N
26875
+ rxn:3:48005:8620:66982,CCCCC(NC(=O)c1sccc1-n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1)c1ccc(C)cc1C,YCRAHYTWGYBNSA-UHFFFAOYSA-N
26876
+ rxn:3:490:62781:124198,CC(C)(C)[Si](C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1,VSZGZDWTFLGZLS-UHFFFAOYSA-N
26877
+ rxn:3:49156:8620:70318,COCC(C(=O)NCCC1CC1c1ccc2ccsc2c1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,SHXVFHJRSCZSKJ-UHFFFAOYSA-N
26878
+ rxn:3:49499:27942:67754,CN(C)c1ccncc1-c1cn(C[C@H]2C[C@H](C(=O)NCC(F)(F)CCC3CC3)C2)nn1,GZRDPEHEOCODMT-QAQDUYKDSA-N
26879
+ rxn:3:49507:5180:116232,CCCC(Cc1cn(-c2ccccc2C#CC(=O)NC(C)(C)CC(F)(F)C2CCCC2)nn1)c1cccnc1,ZOVUTIOKQRWUEK-UHFFFAOYSA-N
26880
+ rxn:3:49507:8620:137180,CCCC(NC(=O)C#Cc1ccccc1-n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1)c1sccc1C,RSIJFMWIGJAWQS-UHFFFAOYSA-N
26881
+ rxn:3:49937:27942:69105,CN(C)c1ccncc1-c1cn(CC2C(c3cn[nH]c3C(=O)NCC3(CC4CC4)CC3)C2(F)F)nn1,ZONOZXPOOUEQIB-UHFFFAOYSA-N
26882
+ rxn:3:49937:35051:78111,CCCc1ccc(-c2cn(CC3C(c4cn[nH]c4C(=O)N[C@]4(C)CC[C@@H](OCC)CC4)C3(F)F)nn2)cc1,UWWOSSSYZLTUGA-ICIVRIICSA-N
26883
+ rxn:3:49937:35117:66173,C=C(C)c1cn(CC2C(c3cn[nH]c3C(=O)NC3CC(OCC)C34CCC4)C2(F)F)nn1,RARUQTZSIUYQQR-UHFFFAOYSA-N
26884
+ rxn:3:50319:13895:128176,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cnc(C(=O)Nc5ccc6oc(=O)oc6c5)nc4)C3(F)F)nn2)CC1,DJRJPUHLKBBACU-WJARWMRMSA-N
26885
+ rxn:3:50439:11519:66389,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccnc(C(=O)NC4CCCCC(OC)C4)c3)C2(F)F)nn1,ZDJALRKYEFHNIO-UHFFFAOYSA-O
26886
+ rxn:3:51006:16887:93749,CCC(C)n1ncc(-c2cn(CC3C(c4cc(C)c(C(=O)Nc5cscc5OC)c(C)c4)C3(F)F)nn2)c1C1CCCC1,PPTHJGNUQCCYFO-UHFFFAOYSA-N
26887
+ rxn:3:51059:15501:71470,CCC(C)n1cc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5ccsc5)c4)C3(F)F)nn2)c(C2CCCC2)n1,XZTDHTWSWQMOTK-UHFFFAOYSA-N
26888
+ rxn:3:51059:16887:82949,CCC(C)n1ncc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5cccc6sccc56)c4)C3(F)F)nn2)c1C1CCCC1,JFMYZKSITDEYNU-UHFFFAOYSA-N
26889
+ rxn:3:51059:17724:130515,CCCn1nc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5ccc6sccc6c5)c4)C3(F)F)nn2)cc1C1CCCCC1,GQGCQJYUNAZXCZ-UHFFFAOYSA-N
26890
+ rxn:3:51059:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc(OC)cc(C(=O)Nc4ccc5oc(=O)oc5c4)c3)C2(F)F)nn1,UXKYEJVZDRFPGD-UHFFFAOYSA-N
26891
+ rxn:3:51059:28204:109510,C=C1CN2CCCC2(c2cn(CC3C(c4cc(OC)cc(C(=O)NC(c5cccs5)c5ccccc5OC)c4)C3(F)F)nn2)C1,WUGHVESFQMGHTR-UHFFFAOYSA-N
26892
+ rxn:3:51060:16887:154302,CCC(C)n1ncc(-c2cn(CC3C(c4ccc(C(=O)Nc5ccc6cc(C)c(=O)oc6c5)c(OC)c4)C3(F)F)nn2)c1C1CCCC1,MFOLIHVLSKDPEV-UHFFFAOYSA-N
26893
+ rxn:3:51060:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccc5oc(=O)oc5c4)c(OC)c3)C2(F)F)nn1,ROXIHQBIDBLXPZ-UHFFFAOYSA-N
26894
+ rxn:3:51062:15501:71470,CCC(C)n1cc(-c2cn(CC3C(c4cc(OC)ccc4C(=O)Nc4ccsc4)C3(F)F)nn2)c(C2CCCC2)n1,HCPMFEAVZGORLL-UHFFFAOYSA-N
26895
+ rxn:3:51062:17724:130515,CCCn1nc(-c2cn(CC3C(c4cc(OC)ccc4C(=O)Nc4ccc5sccc5c4)C3(F)F)nn2)cc1C1CCCCC1,YWZCEDNSHSXBHN-UHFFFAOYSA-N
26896
+ rxn:3:51062:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc(OC)ccc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,HNBDRRULGRKXMC-UHFFFAOYSA-N
26897
+ rxn:3:51063:16887:127944,CCC(C)n1ncc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4cccc5ccsc45)C3(F)F)nn2)c1C1CCCC1,BXDOASZZMVCAHI-UHFFFAOYSA-N
26898
+ rxn:3:51063:17724:130515,CCCn1nc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4ccc5sccc5c4)C3(F)F)nn2)cc1C1CCCCC1,SOAHPRFUWAEHPO-UHFFFAOYSA-N
26899
+ rxn:3:51063:17724:71470,CCCn1nc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4ccsc4)C3(F)F)nn2)cc1C1CCCCC1,XTBHFBJCSHSPNB-UHFFFAOYSA-N
26900
+ rxn:3:51063:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc(OC)cc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,OONTYPSVXKNYNL-UHFFFAOYSA-N
26901
+ rxn:3:51063:7692:83714,CCc1cc2c(-c3cn(CC4C(c5ccc(OC)cc5C(=O)NCC5CC(OC)CC(C)(C)C5)C4(F)F)nn3)ncnc2s1,NCDQUMWAUGEMMR-UHFFFAOYSA-N
26902
+ rxn:3:52096:27942:66627,CN(C)c1ccncc1-c1cn(CCC2CC2c2ncc(C(=O)NC3CC(F)(F)CCC3(C)C)s2)nn1,SQVIFPUOXYBASK-UHFFFAOYSA-N
26903
+ rxn:3:52239:35117:68267,C=C(C)c1cn(CCC2CC2c2ccccc2C(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,JBXYEEXIZJQEQA-UHFFFAOYSA-N
26904
+ rxn:3:52484:8620:65938,CN(C)C1(c2cn(CCC3CC3c3ccc(C(=O)NCC4COCCS(=O)(=O)C4)nc3)nn2)CCC(F)(F)CC1,DEGJVLXKTLZSFI-UHFFFAOYSA-N
26905
+ rxn:3:52486:8620:80289,CCC(NC(=O)c1ccnc(C2CC2CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1cscc1C,MMHRJGLDTGUGBI-UHFFFAOYSA-N
26906
+ rxn:3:52489:16799:69106,CCc1c(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)cnn1C1CC1,SVTOXYCLPDBGPG-UHFFFAOYSA-N
26907
+ rxn:3:52489:17566:69106,CCc1cc(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)nn1C1CCC1,NBHGGUMNHQGLBF-UHFFFAOYSA-N
26908
+ rxn:3:52489:6136:69106,CCn1ncc(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)c1C1CCC1,QNZZTFALUCUCDH-UHFFFAOYSA-N
26909
+ rxn:3:53150:35117:68267,C=C(C)c1cn(CCC2CC2c2cccc3sc(C(=O)NC4(CCOC)CCC(F)(F)CC4)cc23)nn1,RCFVAMCFYBZCDH-UHFFFAOYSA-N
26910
+ rxn:3:5463:65592:102749,C[Si](C)(C)C#Cc1cccc(CNC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)c1,LONZVFJXDLLVFV-UHFFFAOYSA-N
26911
+ rxn:3:5463:65592:136961,CCSc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,CLCBJAMESSHNAT-UHFFFAOYSA-N
26912
+ rxn:3:5463:65592:139880,C[Si](C)(C)OCc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,ONUSOPPKWAUGNM-UHFFFAOYSA-N
26913
+ rxn:3:5463:65592:140338,C[Si](C)(C)C#Cc1ccc(CNC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,GRSRZEOHNPHEJN-UHFFFAOYSA-N
26914
+ rxn:3:5463:65592:72614,C[Si](C)(C)Oc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,ROGZXHBMHBXQAN-UHFFFAOYSA-N
26915
+ rxn:3:5463:65592:75723,COCC(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CC5(C4)CC(F)(F)C5)nn3)CC2=O)[nH]1)c1ccco1,LBFNBCKSJPTVSJ-UHFFFAOYSA-N
26916
+ rxn:3:5463:65592:80841,CCCSc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)c1,AZOAWIZVYYNBQZ-UHFFFAOYSA-N
26917
+ rxn:3:5474:59852:90515,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)cn1,BWTUWPVJZVNEDA-WAVVVPOPSA-N
26918
+ rxn:3:5477:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5(F)F)c4)nn3)C2)CCO1,ALMGWZGJJDVURP-ISMHFCACSA-N
26919
+ rxn:3:5477:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5(F)F)c4)nn3)C2)CCO1,UAPLCGNJMYYSMW-SPNPKDGLSA-N
26920
+ rxn:3:55465:27942:66627,CN(C)c1ccncc1-c1cn(CC2CC2c2ncc(C(=O)NC3CC(F)(F)CCC3(C)C)s2)nn1,KNSSDLVQQDKEMS-UHFFFAOYSA-N
26921
+ rxn:3:55877:17653:69106,CCCc1cc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)nn1C1CCCC1,MPTOVOKHNSQVQL-UHFFFAOYSA-N
26922
+ rxn:3:55878:35117:69561,C=C(C)c1cn(CC2CC2c2ccc(C(=O)NCC(OCC)C3CCC(F)(F)CC3)nc2)nn1,OKIRNFMJDZMTKL-UHFFFAOYSA-N
26923
+ rxn:3:55881:16799:69106,CCc1c(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)cnn1C1CC1,WDYMFARBJIJJDG-UHFFFAOYSA-N
26924
+ rxn:3:55881:16894:69106,CCCc1c(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)cnn1C1CCC1,KKGKVWVEDDCNQF-UHFFFAOYSA-N
26925
+ rxn:3:55881:17566:69106,CCc1cc(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)nn1C1CCC1,BPDBEBWVVTWJBO-UHFFFAOYSA-N
26926
+ rxn:3:55881:8620:68011,CCCC(NC(=O)c1ccnc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1ccoc1,MFTXNPZJOJYUHZ-UHFFFAOYSA-N
26927
+ rxn:3:55883:16894:69106,CCCc1c(-c2cn(CC3CC3c3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)cnn1C1CCC1,GXIZZWWVKUENQF-UHFFFAOYSA-N
26928
+ rxn:3:55883:17566:69106,CCc1cc(-c2cn(CC3CC3c3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)nn1C1CCC1,WNGVDBJWTWZJDG-UHFFFAOYSA-N
26929
+ rxn:3:55883:1911:80299,C=CCN(C)Cc1cn(CC2CC2c2cccc(C(=O)NC(C)(C)C3CCCC(F)(F)C3)n2)nn1,PWAQJLOEJTYOKG-UHFFFAOYSA-N
26930
+ rxn:3:55883:32592:134908,CN(C)c1cc(-c2cn(CC3CC3c3cccc(C(=O)NCC4CC(C)(C)CC(F)(F)C4)n3)nn2)ccn1,MOLFAVMFFJELBU-UHFFFAOYSA-N
26931
+ rxn:3:55883:8620:80289,CCC(NC(=O)c1cccc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)n1)c1cscc1C,SXSDZVVZRTWROR-UHFFFAOYSA-N
26932
+ rxn:3:55883:9653:115147,Cc1ccc2c(ccn2Cc2cn(CC3CC3c3cccc(C(=O)NC(C)(C)C4CCC(F)(F)CC4)n3)nn2)c1,NMNLIUZUMXURFA-UHFFFAOYSA-N
26933
+ rxn:3:55884:16894:69106,CCCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)cnn1C1CCC1,PSSAEOUEGJIAEL-UHFFFAOYSA-N
26934
+ rxn:3:55884:17566:69106,CCc1cc(-c2cn(CC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)nn1C1CCC1,NWXSIHAQOOGOLF-UHFFFAOYSA-N
26935
+ rxn:3:55884:1911:80299,C=CCN(C)Cc1cn(CC2CC2c2ccc(C(=O)NC(C)(C)C3CCCC(F)(F)C3)cn2)nn1,SAKNLVYUKAVWEB-UHFFFAOYSA-N
26936
+ rxn:3:55887:17724:69106,CCCn1nc(-c2cn(CC3CC3c3ccnc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)cc1C1CCCCC1,AKFIHLZXSAUPHG-UHFFFAOYSA-N
26937
+ rxn:3:55887:8620:68011,CCCC(NC(=O)c1cc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)ccn1)c1ccoc1,AOQJKZHTMLLATM-UHFFFAOYSA-N
26938
+ rxn:3:56163:35117:123778,C=C(C)c1cn(CC2CC2c2cccc(CC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1,ORVISUGROWKHDY-UHFFFAOYSA-N
26939
+ rxn:3:56330:16799:69106,CCc1c(-c2cn(CC3CC3c3ccc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)cnn1C1CC1,PFYKDWSGWZGDRZ-UHFFFAOYSA-N
26940
+ rxn:3:56436:2259:68928,CCN1CCC(c2cn(CC3CC3c3ccc(CC(=O)N[C@@H](c4cccs4)C4CCCCC4)c(F)c3)nn2)CC1,KSQAFJIAVOBZCX-GNVRUEKJSA-N
26941
+ rxn:3:56436:23158:68127,CCN1CCC(c2cn(CC3CC3c3ccc(CC(=O)N[C@@H](c4ccoc4)C4CCCC4)c(F)c3)nn2)C1,STFZPWTXUOKNKX-WBTPJJINSA-N
26942
+ rxn:3:56722:35117:68267,C=C(C)c1cn(CC2CC2c2cccc3sc(C(=O)NC4(CCOC)CCC(F)(F)CC4)cc23)nn1,NRYIGIKVTNKDCY-UHFFFAOYSA-N
26943
+ rxn:3:57297:8620:69642,CC(Cc1ccsc1)NC(=O)c1cscc1CCCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LFJUBCMBIFIYEV-UHFFFAOYSA-N
26944
+ rxn:3:5864:59852:84875,CN(C)c1ccnc2ccc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6CCC[Si](C)(C)CC6)C5)C4)nn3)cc12,GPTOLQFXODQPAE-PHVZQCMASA-N
26945
+ rxn:3:59852:35117:132256,C=C(C)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccc(OC5CC5(F)F)c4)C3)C2)nn1,HKYVJEYURRGVKO-POEPRGHXSA-N
26946
+ rxn:3:59852:39288:100874,CCN(C)Cc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4(OC)CS(=O)(=O)C4)C3)C2)nn1,CWCSRQCNRMKATB-RIBPFEIKSA-N
26947
+ rxn:3:60038:8620:123623,CCC(CC)C(NC(=O)C1CCCC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccccc1C,BJPBRNUASWGNCH-UHFFFAOYSA-N
26948
+ rxn:3:60054:8620:76425,CCS(=O)(=O)CCCNC(=O)C12CC(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)(C1)C2,XFTZUMFSCPQTKJ-UHFFFAOYSA-N
26949
+ rxn:3:60580:8620:68317,C=CC[C@@H](C(=O)NC(C)(C)CSc1ccc(C)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LQAUNPNEHVYDDH-NRFANRHFSA-N
26950
+ rxn:3:60580:8620:68525,C=CC[C@@H](C(=O)NCC#Cc1csc(COC)c1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,SUYNYPTUAXJRAM-FQEVSTJZSA-N
26951
+ rxn:3:60582:15470:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,ZZJRNDMRUURWFF-QXXBNALYSA-N
26952
+ rxn:3:60582:15470:95501,C=CC[C@H](C(=O)NC1CCC1(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,BKJBLLUXTIWRBR-MRTLOADZSA-N
26953
+ rxn:3:60582:17566:69106,C=CC[C@H](C(=O)NC1CCC(F)(F)c2cc(OC)ccc21)n1cc(-c2cc(CC)n(C3CCC3)n2)nn1,YKALORAULBMPFG-NRWPOFLRSA-N
26954
+ rxn:3:60582:2850:115749,C=CC[C@H](C(=O)N[C@H](CC)C1CC(F)(F)CCO1)n1cc(-c2cccnc2N(C)C)nn1,YTSFRKCDEANAMD-SYUDBMKNSA-N
26955
+ rxn:3:60582:31814:120779,C=CC[C@H](C(=O)NC1CC2C(C1)C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,FLFSZVDZDIITOF-MLGYPOCJSA-N
26956
+ rxn:3:60582:31814:77803,C=CC[C@H](C(=O)NC1CCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,MPHVZURBILHBKK-SWAPUOLTSA-N
26957
+ rxn:3:60582:31814:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,NKEIBTBQPZVEJN-UKEPKTAJSA-N
26958
+ rxn:3:60582:4461:67374,C=CC[C@H](C(=O)NC(C)(C)C1CCC(F)(F)C1)n1cc(CN(C)C(C)c2cccs2)nn1,DBRKESGTKUFPNE-FAFZWHIHSA-N
26959
+ rxn:3:60582:8620:66873,C=CC[C@H](C(=O)NC1CC1C1CC1c1ccc(OC)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,QXXRTSXYQDKCRQ-AQPGXQJPSA-N
26960
+ rxn:3:60582:8620:68317,C=CC[C@H](C(=O)NC(C)(C)CSc1ccc(C)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LQAUNPNEHVYDDH-OAQYLSRUSA-N
26961
+ rxn:3:60588:35117:68267,C=C(C)c1cn([C@H](CC(C)C)C(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,CRKMLIYBLNTVAL-QGZVFWFLSA-N
26962
+ rxn:3:61926:32185:102415,CC(C)(C)OC[C@H](C(=O)NC1CC1c1ccco1)n1cc(C2(CN3CCC(F)C3)CC2)nn1,GWEHJXYRQLXRPL-GLCUGAKSSA-N
26963
+ rxn:3:61926:32185:120272,CC(C)(C)OC[C@H](C(=O)NCc1ccc[se]1)n1cc(C2(CN3CCC(F)C3)CC2)nn1,JWBPHFFQKZPTGO-UHUGOGIASA-N
26964
+ rxn:3:61926:7852:118582,CC(CNC(=O)[C@@H](COC(C)(C)C)n1cc(C2(N(C)C)CCN(C)CC2)nn1)c1cccs1,QYYRVZYTHPJIKC-MUMRKEEXSA-N
26965
+ rxn:3:62154:1911:123778,C=CCN(C)Cc1cn([C@@H](C)C(=O)NC2(COC)CCC(F)(F)CC2)nn1,ZIXOIZGQLOJIRP-AWEZNQCLSA-N
26966
+ rxn:3:62154:4461:68267,COCCC1(NC(=O)[C@H](C)n2cc(CN(C)C(C)c3cccs3)nn2)CCC(F)(F)CC1,BQWQGKIJSBPGTI-DJNXLDHESA-N
26967
+ rxn:3:62284:12214:69795,CCN1C[C@@H](F)[C@H](c2cn([C@@H](CC(C)C)C(=O)N[C@H]3C[C@H](c4ccc(OC)cc4)C3)nn2)C1,FYEBJZAVXLCEAE-JQILPUHPSA-N
26968
+ rxn:3:62284:15470:85432,CC(C)C[C@@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,AEGCUTRIUIGHMB-HQQWZMMQSA-N
26969
+ rxn:3:62284:31814:77803,CC(C)C[C@@H](C(=O)NC1CCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,RFTGOYWHNIJVNM-LETWWHAPSA-N
26970
+ rxn:3:62284:31814:85432,CC(C)C[C@@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,FBSYAGILJJMLJG-HVEGKCCWSA-N
26971
+ rxn:3:62284:31814:94698,CC(C)C[C@@H](C(=O)N[C@@]1(C)CC1(F)F)n1cc(C2(CN(C)C)CC2)nn1,BGKNNNGTFILIMV-BBRMVZONSA-N
26972
+ rxn:3:62284:709:75644,CC=Cc1cn([C@@H](CC(C)C)C(=O)NCC(F)(F)C(OC)C2CC2)nn1,RASUPJJQCSWROB-VYRBHSGPSA-N
26973
+ rxn:3:62466:15624:73257,CCC(CC)n1cc(-c2cn(C3CCC(C(=O)NSc4ccc(OC)cc4OC)C4CCC43)nn2)c(C(F)(F)F)n1,ZRWHHQGXVVUAFK-UHFFFAOYSA-N
26974
+ rxn:3:62466:18030:96083,C[Si](C)(C)C#Cc1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCCC3)CCCC4)nn2)C2CCC12,MQNXFCKZJIOEJL-UHFFFAOYSA-N
26975
+ rxn:3:62466:23188:99246,N#CC1(Cc2cn(C3CCC(C(=O)Nc4ccc(S(=O)(=O)OCC5CC5)cc4)C4CCC43)nn2)CC(F)(F)C1,AFGACDVBVJZXOO-UHFFFAOYSA-N
26976
+ rxn:3:62466:29726:148343,C[Si](C)(C)C#Cc1ccc2cc(NC(=O)C3CCC(n4cc(C5=CCCCCCCCCCC5)nn4)C4CCC34)ccc2c1,IIBSTBKJJSGOSJ-UHFFFAOYSA-N
26977
+ rxn:3:62466:5864:66627,CN(C)c1ccnc2ccc(-c3cn(C4CCC(C(=O)NC5CC(F)(F)CCC5(C)C)C5CCC54)nn3)cc12,HJEMISRCXAMJOL-UHFFFAOYSA-N
26978
+ rxn:3:62466:6257:151783,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)Nc5ccc(OS(=O)(=O)F)c6ccccc56)C5CCC54)nn3)ncn2)CC1,MVPPGKLCOMUAOS-UHFFFAOYSA-N
26979
+ rxn:3:62466:6257:92547,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C5CCC54)nn3)ncn2)CC1,YOKUFODPQHFFLJ-UHFFFAOYSA-N
26980
+ rxn:3:62466:8620:68359,CCC(CC)Cc1ccc(NC(=O)C2CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C3CCC23)cc1,SURGVUPJLFBNJS-UHFFFAOYSA-N
26981
+ rxn:3:62466:8680:74635,CCCOS(=O)(=O)c1ccc(NC(=O)C2CCC(n3cc(C4CC5(CCC(F)(F)CC5)C4)nn3)C3CCC23)cc1,XHDFQYJRZCJYDM-UHFFFAOYSA-N
26982
+ rxn:3:62466:9981:69509,CCOC1(CNC(=O)C2CCC(n3cc(CSc4nc(-c5ccccn5)cs4)nn3)C3CCC23)CCC(F)(F)CC1,WTKGEHXPNWCJHW-UHFFFAOYSA-N
26983
+ rxn:3:62646:5265:134358,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC(C)=[Se])C(C)(C)C)C2)nn1,JUANQOCBRLYXBP-UHFFFAOYSA-N
26984
+ rxn:3:62646:5265:137368,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC(F)C3)C(C)(C)C)C2)nn1,NJEXBALLZIDREZ-UHFFFAOYSA-N
26985
+ rxn:3:62646:5265:95827,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COC3)C(C)(C)C)C2)nn1,HOTXQTVJZPLMPB-UHFFFAOYSA-N
26986
+ rxn:3:62646:5274:126814,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)N[C@H]3C[C@@H](F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-QRLCNCQWSA-N
26987
+ rxn:3:62646:5274:137368,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC(F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-UHFFFAOYSA-N
26988
+ rxn:3:62646:5274:71646,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)N[C@H]3C[C@H](F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-LTTSWJAPSA-N
26989
+ rxn:3:62646:5274:95827,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COC3)C(C)(C)C)C2)nn1,BWZZOLSIQCPLRL-UHFFFAOYSA-N
26990
+ rxn:3:62646:5274:96161,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3COCC(F)(F)C3)C(C)(C)C)C2)nn1,NJDUBZXQJULQSJ-UHFFFAOYSA-N
26991
+ rxn:3:62653:5265:73149,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC[Si](C)(C)C)C(C)C)C2)nn1,AEHAUKUHLWSTNL-UHFFFAOYSA-N
26992
+ rxn:3:62653:5274:73149,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC[Si](C)(C)C)C(C)C)C2)nn1,BCNOZYLXTDUDFX-UHFFFAOYSA-N
26993
+ rxn:3:62653:5274:96161,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3COCC(F)(F)C3)C(C)C)C2)nn1,UMUZYKSQUDUWQJ-UHFFFAOYSA-N
26994
+ rxn:3:62669:5265:130880,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(CC(C)C(=O)NCC(C)(C)F)C2)nn1,OLWBBBCHTIBPSX-UHFFFAOYSA-N
26995
+ rxn:3:62669:5265:73149,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(CC(C)C(=O)NC[Si](C)(C)C)C2)nn1,PGRJHQLIKUUGAE-UHFFFAOYSA-N
26996
+ rxn:3:62669:5274:73149,CC(CN1CC(Cn2cc(CSC3=Nc4ccccc4SC3C)nn2)CC1=O)C(=O)NC[Si](C)(C)C,YQSIZFKQFMAYTI-UHFFFAOYSA-N
26997
+ rxn:3:62669:6164:124198,CC(CN1CC(Cn2cc(C3CC[Si](C)(C)C3)nn2)CC1=O)C(=O)NCCC#Cc1ccsc1,FHDSYFIVLSBBJH-UHFFFAOYSA-N
26998
+ rxn:3:62669:7121:75840,CC(CN1CC(Cn2cc([C@@H]3C[C@@H]3CN(C)C)nn2)CC1=O)C(=O)NCC#Cc1ccsc1,SMKIIIYDJQCZPN-CGNZLSCGSA-N
26999
+ rxn:3:62722:37767:138685,CCC(C(=O)Nc1ccccc1S(=O)(=O)OC)N1CC(Cn2cc(C3=CC[C@H]4C[C@@H]3C4(C)C)nn2)CC1=O,DDIWNPMWDAYXHB-CYMONXJESA-N
27000
+ rxn:3:62722:4387:66627,CCC(C(=O)NC1CC(F)(F)CCC1(C)C)N1CC(Cn2cc(CSc3nnnn3-c3ccccc3)nn2)CC1=O,MAIAKLSZLYDMGD-UHFFFAOYSA-N
27001
+ rxn:3:62722:5274:126389,CCC(C(=O)NC(C)(CC)CC)N1CC(Cn2cc(CSC3=Nc4ccccc4SC3C)nn2)CC1=O,XOMHHGMJSPWEMW-UHFFFAOYSA-N
27002
+ rxn:3:62722:7402:68267,CCC(C(=O)NC1(CCOC)CCC(F)(F)CC1)N1CC(Cn2cc(-c3cc4ccccn4n3)nn2)CC1=O,PAWXWEGLZPFFFS-UHFFFAOYSA-N
27003
+ rxn:3:62722:8614:108008,CCC(C(=O)N[C@@H]1CC[C@@H](OC)C[C@@H]1F)N1CC(Cn2cc(C(C(C)C)N(C)C)nn2)CC1=O,MMMKFXBOLFXJFV-RWILZLHUSA-N
27004
+ rxn:3:62722:8614:115668,CCC(C(=O)N[C@H]1CC[C@@H](OC)C[C@@H]1F)N1CC(Cn2cc(C(C(C)C)N(C)C)nn2)CC1=O,MMMKFXBOLFXJFV-PJHDBVTJSA-N
27005
+ rxn:3:62781:7121:124198,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1,DUUUVQHQRQCAIS-GDCYWBNYSA-N
27006
+ rxn:3:62781:7121:75840,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,AOQWBFZPPDJQKS-PLMQIDHYSA-N
27007
+ rxn:3:62781:8607:124198,CN(C)C(c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1)C1CC1,VQXHTXHXILQODT-UHFFFAOYSA-N
27008
+ rxn:3:62784:17887:84513,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CC(F)(F)CC54)C4CCCCC4)C3)nn2)c1,KCJAOTDUFVIGEQ-UHFFFAOYSA-N
27009
+ rxn:3:62784:29586:117805,CC=C(C)c1cn(CC2CC(=O)N(C(C(=O)Nc3ccccc3S(=O)(=O)OCC)C3CCCCC3)C2)nn1,PKUSUHVIKXOEGN-UHFFFAOYSA-N
27010
+ rxn:3:62784:36914:92628,CCn1nccc1-c1cc(F)cc(-c2cn(CC3CC(=O)N(C(C(=O)Nc4csc5cc(OC)ccc45)C4CCCCC4)C3)nn2)c1,YHCQPTRKCXFHPL-UHFFFAOYSA-N
27011
+ rxn:3:62824:35117:84946,C=C(C)c1cn(CC2CC(=O)N([C@@H](C(=O)NCc3ccc(OS(=O)(=O)F)cc3)C3=CCC=CC3)C2)nn1,HJSVHSMKGXJBRW-JKSFWZLDSA-N
27012
+ rxn:3:62849:7121:75840,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C)(C)C(=O)NCC#Cc3ccsc3)C2)nn1,LZGNTBKUMBUIAL-FXJNCMGBSA-N
27013
+ rxn:3:62849:8607:75840,CN(C)C(c1cn(CC2CC(=O)N(C(C)(C)C(=O)NCC#Cc3ccsc3)C2)nn1)C1CC1,FAMTXWJXKMTLHW-UHFFFAOYSA-N
27014
+ rxn:3:6352:59852:135450,CS(=O)(=O)CCCCNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,MPMYYAQXLPCRQT-LGJCEAAXSA-N
27015
+ rxn:3:6352:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,IGGZQSJFDMBMOO-QNRNLVPOSA-N
27016
+ rxn:3:6352:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,USTRATRWDZWAQL-QOYAAKSSSA-N
27017
+ rxn:3:6352:59852:93884,CS(=O)(=O)CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc6nnc(C(F)(F)F)n6n5)nn4)C3)CCO2)CC1,MBCHJGCBQWZLBD-LGJCEAAXSA-N
27018
+ rxn:3:6383:59852:128963,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(F)CCS(=O)(=O)CC5)C4)C3)nn2)ncn1,LOBPNSAYJKNHHR-IERKJGKXSA-N
27019
+ rxn:3:6383:59852:140472,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)ncn1,ALOHKUGYZCGWHL-RYRIQDMGSA-N
27020
+ rxn:3:6383:59852:90515,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)ncn1,ALOHKUGYZCGWHL-HNHYWVBESA-N
27021
+ rxn:3:64126:6450:85572,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)NC5c6ccc(OC)cc6SC5C)CC4)C3)nn2)cn1,QFSITKFCIKNQDC-JVGALNARSA-N
27022
+ rxn:3:64509:8620:69931,CC[C@@H](NC(=O)c1cncc(-n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1cc(C)c(C)cc1C,ZOQUBQAOLLMKGC-XMMPIXPASA-N
27023
+ rxn:3:6513:59852:104288,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccccc4=O)C3)C2)nn1,ZJVWRFDLDPPNFR-FYQIFJIOSA-N
27024
+ rxn:3:6513:59852:70829,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC4c4ccsc4)C3)C2)nn1,NJDIMWGSCNYWEZ-ZOUYUTFDSA-N
27025
+ rxn:3:6513:59852:80609,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CCc5sccc54)C3)C2)nn1,NVPSSNPWMQEGQT-NXMBOHNASA-N
27026
+ rxn:3:6513:59852:97485,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccs4)C3)C2)nn1,HEROXBSLHMIZRP-YNPPLXCJSA-N
27027
+ rxn:3:65364:35117:69561,C=C(C)c1cn(CC2CC(=O)N(c3cccnc3C(=O)NCC(OCC)C3CCC(F)(F)CC3)C2)nn1,PCEQUYLJXFBIST-UHFFFAOYSA-N
27028
+ rxn:3:7558:49518:99234,C[Se]c1ccc(NC(=O)C2C(c3cccc(-n4cc(C=C(C)C=CC5=C(C)CCCC5(C)C)nn4)c3)C2(F)F)cc1,RWMCUKZJKPVADN-UHFFFAOYSA-N
27029
+ rxn:3:8620:59842:107177,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NCCC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,PYXIGVLMZIJKGA-OALUTQOASA-N
27030
+ rxn:3:8620:59842:89771,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NCCSC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,KMOLHATUWLOCTN-OALUTQOASA-N
27031
+ rxn:3:8620:59842:92433,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NOCC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,WSFHHLFLERGKRG-ROUUACIJSA-N
27032
+ rxn:3:8620:59937:127108,CCS(=O)(=O)CC(C)(C)CNC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2,LPPHMYIRJKFJOM-UHFFFAOYSA-N
27033
+ rxn:3:8620:59937:73149,CN(C)C1(c2cn(C3CCC4(C(=O)NC[Si](C)(C)C)CC34)nn2)CCC(F)(F)CC1,QKFBOIURFQCBJD-UHFFFAOYSA-N
27034
+ rxn:3:8620:59937:73289,CCCCC(NC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2)c1ccc2ccccc2c1,ZGHUFNSIVIXDBL-UHFFFAOYSA-N
27035
+ rxn:3:981:62646:70417,CC(c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)C34CC(C3)C4)C(C)(C)C)C2)nn1)N(C)C,MQTSDDQYBAYRJY-UHFFFAOYSA-N