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urdof7 commited on
Commit
ba395c6
·
verified ·
1 Parent(s): 9865bb4

Added 315 molecules from epoch 17435 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +315 -0
O15379_molecules.csv CHANGED
@@ -29591,3 +29591,318 @@ rxn:3:8620:49937:107002,CCCC1CCC(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4
29591
  rxn:3:8620:59842:83860,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)Nc4cccc(OS(=O)(=O)F)c4)C3)nn2)CCC(F)(F)CC1,MHPLWPMKIKLVQD-WMZOPIPTSA-N
29592
  rxn:3:8658:59852:117699,CSc1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCCCS(=O)(=O)F)C4)C3)nn2)n1C,CRJDIGXCYOEZSJ-LGJCEAAXSA-N
29593
  rxn:3:8711:59852:99962,CC1(C)CC1c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCCOC4CCS(=O)(=O)C4)C3)C2)nn1,LJBHBWNNQPTBCU-KFSQLKOVSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
29591
  rxn:3:8620:59842:83860,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)Nc4cccc(OS(=O)(=O)F)c4)C3)nn2)CCC(F)(F)CC1,MHPLWPMKIKLVQD-WMZOPIPTSA-N
29592
  rxn:3:8658:59852:117699,CSc1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCCCS(=O)(=O)F)C4)C3)nn2)n1C,CRJDIGXCYOEZSJ-LGJCEAAXSA-N
29593
  rxn:3:8711:59852:99962,CC1(C)CC1c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCCOC4CCS(=O)(=O)C4)C3)C2)nn1,LJBHBWNNQPTBCU-KFSQLKOVSA-N
29594
+ rxn:3:1032:50788:125530,COC1C(NC(=O)[C@H](C)n2cc(C3C(Cn4cc(CCN5CCN(C)CC5)nn4)C3(F)F)cn2)COC12CCC2,AKKQSAJFWCLDKF-NDNARDSPSA-N
29595
+ rxn:3:1119:49937:133641,CC1(C)CCCN(CCCc2cn(CC3C(c4cn[nH]c4C(=O)NC4CCSC4)C3(F)F)nn2)C1,DMPSECAFWKSBPN-UHFFFAOYSA-N
29596
+ rxn:3:1119:49937:137152,CC1(C)CCCN(CCCc2cn(CC3C(c4cn[nH]c4C(=O)NC4CCCC5C(F)C45)C3(F)F)nn2)C1,ZWXPJIIKDLXJAU-UHFFFAOYSA-N
29597
+ rxn:3:1119:49937:137368,CC1(C)CCCN(CCCc2cn(CC3C(c4cn[nH]c4C(=O)NC4CC(F)C4)C3(F)F)nn2)C1,VZJDIUSQPDJRGZ-UHFFFAOYSA-N
29598
+ rxn:3:11407:56520:151955,CSc1ncc(C2CC2Cn2cc(C3CCN(C4CCCC4)CC3)nn2)c(C(=O)Nc2ccc3ccc(OS(=O)(=O)F)cc3c2)n1,ONOHBBUUDOYOGK-UHFFFAOYSA-N
29599
+ rxn:3:11407:56520:83860,CSc1ncc(C2CC2Cn2cc(C3CCN(C4CCCC4)CC3)nn2)c(C(=O)Nc2cccc(OS(=O)(=O)F)c2)n1,KKXDIHLFXVYAIU-UHFFFAOYSA-N
29600
+ rxn:3:11407:60038:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CCCC(n2cc(C3CCN(C4CCCC4)CC3)nn2)C1,NIVIRPWAKIFYII-UHFFFAOYSA-N
29601
+ rxn:3:11407:65149:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cncc(N2CC(Cn3cc(C4CCN(C5CCCC5)CC4)nn3)CC2=O)c1,BHQLGEVQMQYERV-UHFFFAOYSA-N
29602
+ rxn:3:11407:65281:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)c1cccc(N2CC(Cn3cc(C4CCN(C5CCCC5)CC4)nn3)CC2=O)n1,YRLIKTFRRFVZSW-UHFFFAOYSA-N
29603
+ rxn:3:12139:59852:104224,COC[C@H]1C[C@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5cncnc5)nn4)C3)CCO2)C1,KJRIUSLHWRBCCZ-MXHFSHHNSA-N
29604
+ rxn:3:12139:59852:84067,COC[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5cncnc5)nn4)C3)CCO2)C1,KJRIUSLHWRBCCZ-NONMLKONSA-N
29605
+ rxn:3:13895:49937:106596,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4C5CCOC54)C3(F)F)nn2)CC1,ZFCUXCDGBLASDC-XPKKHKNRSA-N
29606
+ rxn:3:13895:49937:130240,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCCC(C)(C)CC4)C3(F)F)nn2)CC1,AXROMSZZYWTOEU-RPPXVTDKSA-N
29607
+ rxn:3:13895:49937:133641,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCSC4)C3(F)F)nn2)CC1,MEZGRENDMXJVLX-OADNRJCRSA-N
29608
+ rxn:3:1911:62781:84591,C=CCN(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CCOCCC3(F)F)C3CC3)C2)nn1,ZYCFGAILFVKRLF-UHFFFAOYSA-N
29609
+ rxn:3:20088:62782:83471,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC[C@H]5CC5(F)F)C5CCCC5)C4)nn3)nn2c1,VVZJJASUMDUJOS-BPVAQJAMSA-N
29610
+ rxn:3:20088:62784:84513,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC5C6CC(F)(F)CC65)C5CCCCC5)C4)nn3)nn2c1,JXTVATAITUGXRN-UHFFFAOYSA-N
29611
+ rxn:3:2025:62782:84946,CN1CCC(c2cn(CC3CC(=O)N(C(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C4CCCC4)C3)nn2)C1,UIWIEZFIUWDLHX-UHFFFAOYSA-N
29612
+ rxn:3:2029:62781:92547,CN1CCCC(c2cn(CC3CC(=O)N(C(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C4CC4)C3)nn2)C1,WGEZRHUQFVOOIM-UHFFFAOYSA-N
29613
+ rxn:3:20566:65592:77920,CCSc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CN5CCC(C(F)(F)F)CC5)nn4)CC3=O)[nH]2)c1,WFOJSSVMDFSDEG-UHFFFAOYSA-N
29614
+ rxn:3:21151:62466:136680,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(C2CCC(C(=O)Nc3cccc(S(=O)(=O)OC)c3)C3CCC32)nn1,IASRUGVQDZLOBZ-UHFFFAOYSA-N
29615
+ rxn:3:23188:65592:129725,N#CC1(Cc2cn(CC3CC(=O)N(c4nnc(CC(=O)NC(c5ccsc5)C5CCCCC5)[nH]4)C3)nn2)CC(F)(F)C1,TYBSXMSIDMHELC-UHFFFAOYSA-N
29616
+ rxn:3:24201:62645:112252,CC(c1cn(CC2CC(=O)N(C(C)C(=O)NC[C@H]3CO[C@H](C)CO3)C2)nn1)N1CC(F)(F)C1,HKWGIZJHRRCGIM-SZXKPVLFSA-N
29617
+ rxn:3:24201:62646:65952,CC(c1cn(CC2CC(=O)N(C(C(=O)NOC3CCOC3)C(C)(C)C)C2)nn1)N1CC(F)(F)C1,MWEJKTDIANERTB-UHFFFAOYSA-N
29618
+ rxn:3:24201:62782:92997,CC(c1cn(CC2CC(=O)N(C(C(=O)NCc3csc4c3COC4)C3CCCC3)C2)nn1)N1CC(F)(F)C1,YISISTULDXOHEH-UHFFFAOYSA-N
29619
+ rxn:3:24206:64902:73149,CC(c1cn(CC2CC(=O)N(c3ccncc3C(=O)NC[Si](C)(C)C)C2)nn1)N1CCC(F)(F)CC1,IBPCMPCKYPSGMN-UHFFFAOYSA-N
29620
+ rxn:3:24207:65592:113740,CC(c1cn(CC2CC(=O)N(c3nnc(CC(=O)NC4CC(C)(C)Oc5ccccc54)[nH]3)C2)nn1)N1CCCC(F)(F)C1,VMIDYGIKUOVJKJ-UHFFFAOYSA-N
29621
+ rxn:3:24207:65592:79412,COc1cccc(ONC(=O)Cc2nnc(N3CC(Cn4cc(C(C)N5CCCC(F)(F)C5)nn4)CC3=O)[nH]2)c1,MRQMMNACQYKCJP-UHFFFAOYSA-N
29622
+ rxn:3:24207:65592:89183,CC(c1cn(CC2CC(=O)N(c3nnc(CC(=O)NCC4OCCc5sccc54)[nH]3)C2)nn1)N1CCCC(F)(F)C1,IJSVSPPVURRNMJ-UHFFFAOYSA-N
29623
+ rxn:3:2561:62824:81196,CC(C)(C)n1nnc(-c2cn(CC3CC(=O)N([C@@H](C(=O)NCC4CC(F)(F)CO4)C4=CCC=CC4)C3)nn2)n1,CPTMQDLGRJLVIO-QYGXFBIXSA-N
29624
+ rxn:3:2766:62781:126770,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NC3COCCOC3)C3CC3)C2)nn1,DPKSCWALIWGBJA-UHFFFAOYSA-N
29625
+ rxn:3:2766:62781:136173,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCCC3COCCOC3)C3CC3)C2)nn1,IXZRCUZYOJKBPK-UHFFFAOYSA-N
29626
+ rxn:3:2766:62781:66403,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NC(C3CC3)C3COCCO3)C3CC3)C2)nn1,CYTFYTTVFNUUDC-UHFFFAOYSA-N
29627
+ rxn:3:2766:62781:70995,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3COCCO3)C3CC3)C2)nn1,YKSWAZOSJRXHEL-UHFFFAOYSA-N
29628
+ rxn:3:2766:62781:80042,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COCCOC3)C3CC3)C2)nn1,LIVLIBNWSJHLCZ-UHFFFAOYSA-N
29629
+ rxn:3:2766:62782:112644,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3CSCCO3)C3CCCC3)C2)nn1,YXMMGWWQLGDVAK-UHFFFAOYSA-N
29630
+ rxn:3:2766:62782:119583,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3CC4OCCC4O3)C3CCCC3)C2)nn1,URVFMYSIQHRFPR-UHFFFAOYSA-N
29631
+ rxn:3:2766:62782:124378,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3COCCOC3)C3CCCC3)C2)nn1,VMUUHKQQXFUXQQ-UHFFFAOYSA-N
29632
+ rxn:3:2766:62782:65952,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NOC3CCOC3)C3CCCC3)C2)nn1,KOAHLIMLNDHMPY-UHFFFAOYSA-N
29633
+ rxn:3:2766:62782:66403,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NC(C3CC3)C3COCCO3)C3CCCC3)C2)nn1,FEAAVWKSDBSLMU-UHFFFAOYSA-N
29634
+ rxn:3:2766:62782:70995,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3COCCO3)C3CCCC3)C2)nn1,FFJFCBVQYKWQRR-UHFFFAOYSA-N
29635
+ rxn:3:2766:62782:84026,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3OCCc4cscc43)C3CCCC3)C2)nn1,OPXCXIQUVVPCID-UHFFFAOYSA-N
29636
+ rxn:3:2766:62784:134661,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3CCOCO3)C3CCCCC3)C2)nn1,YQCWKXDTWVNYLG-UHFFFAOYSA-N
29637
+ rxn:3:2766:62828:124378,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N([C@H](C(=O)NCC3COCCOC3)C3CC3)C2)nn1,YXGHCDOCVKAXIS-MBABXSBOSA-N
29638
+ rxn:3:28707:59852:66645,CS(=O)(=O)[C@H]1C[C@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5N5CC(F)(F)C5)nn4)C3)CCO2)C1,SPAXEPGDTDNQTR-GTYHXBJISA-N
29639
+ rxn:3:28707:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CC(F)(F)C4)nn3)C2)CCO1,DWSVGROCAONRQE-FYQIFJIOSA-N
29640
+ rxn:3:28707:59852:84067,COC[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5N5CC(F)(F)C5)nn4)C3)CCO2)C1,IALLIXSFRCUTTJ-NBWBWTHYSA-N
29641
+ rxn:3:28707:59852:95169,CS(=O)(=O)[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5N5CC(F)(F)C5)nn4)C3)CCO2)C1,SPAXEPGDTDNQTR-VPEGAQKVSA-N
29642
+ rxn:3:29454:59842:100961,O=C(NC1(CC2CC2(F)F)CCOC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,PLXLLWYCBHKURX-RTOLSTJOSA-O
29643
+ rxn:3:29454:59842:115910,O=C(NOCC1CCC(F)(F)CC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,OSLDNBRLWJAPMV-FPOVZHCZSA-O
29644
+ rxn:3:29454:59842:119259,O=C(NCCCC1CCCC(F)(F)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,GWFRIAHWNOATFG-ZXNYFWILSA-O
29645
+ rxn:3:29454:59842:120368,O=C(NOCC1CC(F)(F)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,YRJJDRZYVHIUPU-HKUYNNGSSA-O
29646
+ rxn:3:29454:59842:122523,O=C(NC1(CC2CCC2)CCC(F)(F)CC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,HCSJLKQBXZBXFK-UPVQGACJSA-O
29647
+ rxn:3:29454:59842:126814,O=C(N[C@H]1C[C@@H](F)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,YOHUVFGOHAJBQY-BMFAXAFESA-O
29648
+ rxn:3:29454:59842:133486,O=C(NCCC(F)(F)C1CCCC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,WFJYRPMFIMOTJD-UGKGYDQZSA-O
29649
+ rxn:3:29454:59842:137347,O=C(NOCC1CC1(F)F)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,XSNJTSMVGDMLRM-SPQDMEGHSA-O
29650
+ rxn:3:29454:59842:137368,O=C(NC1CC(F)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,YOHUVFGOHAJBQY-LOTPSLMQSA-O
29651
+ rxn:3:29454:59842:71646,O=C(N[C@H]1C[C@H](F)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,YOHUVFGOHAJBQY-DWRORGKVSA-O
29652
+ rxn:3:29454:59842:76380,O=C(NCCC(F)(F)C1CCC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,SCAIHGNWJCFQMT-RXVVDRJESA-O
29653
+ rxn:3:29454:59842:90711,O=C(NCC(F)C1CC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,QLLMESNBHOTIQJ-CTCAENTCSA-O
29654
+ rxn:3:29454:59842:95827,O=C(NCC1(F)COC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,PWDSEZKJPIENTR-WMZOPIPTSA-O
29655
+ rxn:3:29454:59842:97004,O=C(NCC1(F)CC2(CC(F)(F)C2)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,LBLBGMCRYMFBAX-ICSRJNTNSA-O
29656
+ rxn:3:29454:59842:99599,O=C(NCC1(F)CC2(CC2)C1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,AMZLMPNSCRCIMR-ICSRJNTNSA-O
29657
+ rxn:3:29454:59937:102443,O=C(NOCCC1CC1(F)F)C12CCC(n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)C1C2,YEOAQVHEFFLKEZ-UHFFFAOYSA-O
29658
+ rxn:3:29454:59937:109752,COC(CNC(=O)C12CCC(n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)C1C2)C1CC(F)(F)C1,ZNGAXZRGWLUTCJ-UHFFFAOYSA-O
29659
+ rxn:3:29454:59958:81033,O=C(NCCCC1(F)CC1)[C@@H]1CCC[C@@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,IYIZTZUBNJBDRO-UYAOXDASSA-O
29660
+ rxn:3:29454:59958:90445,O=C(NCCOC1CC1(F)F)[C@@H]1CCC[C@@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,FOUJMXARPGANBM-SYUDBMKNSA-O
29661
+ rxn:3:31535:62646:96838,CC(C)(C)C(C(=O)NC1COCOC1)N1CC(Cn2cc(CSc3ccnc(C(F)(F)F)c3)nn2)CC1=O,HWSKOMCQGIXPRN-UHFFFAOYSA-N
29662
+ rxn:3:31535:62662:78481,COC1COCC(NC(=O)[C@H](C(C)C)N2CC(Cn3cc(CSc4ccnc(C(F)(F)F)c4)nn3)CC2=O)C1,WFBNJPRAPHBVDG-KEUPOLSOSA-N
29663
+ rxn:3:358:62784:138291,Cn1nnc(-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CCOC5C4(C)C)C4CCCCC4)C3)nn2)c1C(F)(F)F,DNAYTEJVRSHWCB-UHFFFAOYSA-N
29664
+ rxn:3:3725:49937:69859,CC1(C)CCCCN(CCc2cn(CC3C(c4cn[nH]c4C(=O)N[C@H]4CC[Se]C4)C3(F)F)nn2)C1,LKBVIUBPCLGAIT-KKXNLOMOSA-N
29665
+ rxn:3:40441:8620:65938,CN(C)C1(c2cn(CC=Cc3cnc(C(=O)NCC4COCCS(=O)(=O)C4)nc3)nn2)CCC(F)(F)CC1,RKNZWBLFJCPRKK-UHFFFAOYSA-N
29666
+ rxn:3:42679:2259:67374,CCN1CCC(c2cn(CC#Cc3cncc(C(=O)NC(C)(C)C4CCC(F)(F)C4)c3)nn2)CC1,VWXGGWZBLBJHDE-UHFFFAOYSA-N
29667
+ rxn:3:42680:2259:67374,CCN1CCC(c2cn(CC#Cc3ccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)nc3)nn2)CC1,SASJWOZQFSPENM-UHFFFAOYSA-N
29668
+ rxn:3:42681:16894:140611,CCCc1c(-c2cn(CC#Cc3cccnc3C(=O)NC3CCCC(F)(F)C3)nn2)cnn1C1CCC1,VLIFRBFXUYPECS-UHFFFAOYSA-N
29669
+ rxn:3:42683:23143:67374,CCN1CC(c2cn(CC#Cc3cc(C(=O)NC(C)(C)C4CCC(F)(F)C4)ccn3)nn2)C1,KLVXDIISOXGEKT-UHFFFAOYSA-N
29670
+ rxn:3:42683:23158:67374,CCN1CCC(c2cn(CC#Cc3cc(C(=O)NC(C)(C)C4CCC(F)(F)C4)ccn3)nn2)C1,ZMKHVUGHAKTXOK-UHFFFAOYSA-N
29671
+ rxn:3:42684:2259:67374,CCN1CCC(c2cn(CC#Cc3cccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)n3)nn2)CC1,YRDXVZQXFLTSBS-UHFFFAOYSA-N
29672
+ rxn:3:42685:2259:67374,CCN1CCC(c2cn(CC#Cc3ccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)cn3)nn2)CC1,OPVQDBMKQLRSPA-UHFFFAOYSA-N
29673
+ rxn:3:43200:39139:97485,O=C(Nc1cccs1)c1cc(F)c(F)cc1C#CCn1cc(C(CN2CCCC2)N2CCCC2)nn1,PDVNYJDKCATQMN-UHFFFAOYSA-N
29674
+ rxn:3:43417:11697:67374,C=Cc1cnn(CCCc2cn(C3C=CCC(C(=O)NC(C)(C)C4CCC(F)(F)C4)C3)nn2)c1,MJFQECRDLOCZCN-UHFFFAOYSA-N
29675
+ rxn:3:43417:2766:66403,CC(C)(CC(F)(F)F)c1cn(C2C=CCC(C(=O)NC(C3CC3)C3COCCO3)C2)nn1,BBUILQDEPQYNIJ-UHFFFAOYSA-N
29676
+ rxn:3:43417:29454:140532,O=C(NCC1(F)CCSCC1)C1CC=CC(n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,PNPOXSZIPRVQQU-UHFFFAOYSA-O
29677
+ rxn:3:43417:29454:81033,O=C(NCCCC1(F)CC1)C1CC=CC(n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,COTSLFHXXSFIRC-UHFFFAOYSA-O
29678
+ rxn:3:43417:3731:68856,CCCCC(CC)NC(=O)C1CC=CC(n2cc(-c3ccn(C4CC4(F)F)n3)nn2)C1,FOWFHCPJFVYCCG-UHFFFAOYSA-N
29679
+ rxn:3:43417:5322:69561,CCOC(CNC(=O)C1CC=CC(n2cc(Cn3nnc4cc(C)cnc43)nn2)C1)C1CCC(F)(F)CC1,GZNBTTXYZYMGNJ-UHFFFAOYSA-N
29680
+ rxn:3:43417:6136:75644,CCn1ncc(-c2cn(C3C=CCC(C(=O)NCC(F)(F)C(OC)C4CC4)C3)nn2)c1C1CCC1,AKRYCOJWYHUWBB-UHFFFAOYSA-N
29681
+ rxn:3:43417:6257:128695,CC(NC(=O)C1CC=CC(n2cc(-c3cc(N(C)C4CCN(C)CC4)ncn3)nn2)C1)C(C)(F)F,HAENPYXVVQOVQJ-UHFFFAOYSA-N
29682
+ rxn:3:43417:6450:69696,C=C(C)Cn1cc(-c2cn(C3C=CCC(C(=O)NC(C)(C)C(F)(F)C4CCCC4)C3)nn2)cn1,OKEMMABQAJRBMR-UHFFFAOYSA-N
29683
+ rxn:3:43417:6637:67712,CC(C)(CC1CC1(F)F)NC(=O)C1CC=CC(n2cc(Cn3ccn4nc(C5CCCC5)cc34)nn2)C1,XXJRQSOUFFSCEK-UHFFFAOYSA-N
29684
+ rxn:3:43417:6638:67712,CC(C)(CC1CC1(F)F)NC(=O)C1CC=CC(n2cc(Cn3ccn4nc(C5CCC5)cc34)nn2)C1,GJQMYBUXVNGKBT-UHFFFAOYSA-N
29685
+ rxn:3:43417:6639:69696,CC(C)(NC(=O)C1CC=CC(n2cc(Cn3ccn4nc(C5CC5)cc34)nn2)C1)C(F)(F)C1CCCC1,IOBZTAOBSVXAER-UHFFFAOYSA-N
29686
+ rxn:3:43417:8:67879,C[Si](C)(C)OCCCNC(=O)C1CC=CC(n2cc(-c3ccc(N4CCCC4)nn3)nn2)C1,PFSPZYBOUMLJOM-UHFFFAOYSA-N
29687
+ rxn:3:43458:38467:77803,CCOCC(C(=O)NC1CCC2C1C2(F)F)n1cc(CN(C)C2CCCCC2)nn1,WFMSYCVPYIWPHF-UHFFFAOYSA-N
29688
+ rxn:3:43458:39618:85714,CCOCC(C(=O)NCC1CCC(F)(F)CO1)n1cc(CN(C)C2CCN(C)CC2)nn1,FLHMLCDEDZNYQS-UHFFFAOYSA-N
29689
+ rxn:3:43458:6257:120779,CCOCC(C(=O)NC1CC2C(C1)C2(F)F)n1cc(-c2cc(N(C)C3CCN(C)CC3)ncn2)nn1,JQASEAGWJMFSHU-UHFFFAOYSA-N
29690
+ rxn:3:43780:10393:67960,O=C(CC#Cc1cccc(-n2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)c1)NC1CCOCC1(F)F,URZNLULVYJPZEB-UHFFFAOYSA-N
29691
+ rxn:3:44513:35117:69696,C=C(C)c1cn(CCC#Cc2ccc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)nc2)nn1,WBBFXXZFQOXWCS-UHFFFAOYSA-N
29692
+ rxn:3:44517:2259:67374,CCN1CCC(c2cn(CCC#Cc3ccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)cn3)nn2)CC1,ADVQNCGLIRWLAD-UHFFFAOYSA-N
29693
+ rxn:3:44520:35117:69696,C=C(C)c1cn(CCC#Cc2ccnc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)c2)nn1,RHLQPFRDZISJER-UHFFFAOYSA-N
29694
+ rxn:3:44521:35117:69696,C=C(C)c1cn(CCC#Cc2cnccc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,OEGQEAOEVWLIMP-UHFFFAOYSA-N
29695
+ rxn:3:49115:16799:69871,CCc1c(-c2cn(CC(OC)C(=O)NC(C)CC3CCC(F)(F)CC3)nn2)cnn1C1CC1,ZGHOIGXWKSLTQQ-UHFFFAOYSA-N
29696
+ rxn:3:49820:35117:67769,C=C(C)c1cn(CC2C(c3ccsc3C(=O)NCCOC3(C)CCOCC3)C2(F)F)nn1,BUFZRZOJLPGOPV-UHFFFAOYSA-N
29697
+ rxn:3:49824:16799:68820,CCc1c(-c2cn(CC3C(c4cscc4C(=O)NC4CSC4C4CCCC4)C3(F)F)nn2)cnn1C1CC1,BYMLMUVRKGUQQV-UHFFFAOYSA-N
29698
+ rxn:3:49824:35117:66280,C=C(C)c1cn(CC2C(c3cscc3C(=O)NC3CC(OC)C34CCC4)C2(F)F)nn1,OQZPXHBTIMOJHO-UHFFFAOYSA-N
29699
+ rxn:3:49937:16799:68589,CCc1c(-c2cn(CC3C(c4cn[nH]c4C(=O)NCC4CCCSCC4)C3(F)F)nn2)cnn1C1CC1,SFHUIUJVPZJXEY-UHFFFAOYSA-N
29700
+ rxn:3:49937:23143:69989,CCN1CC(c2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccc(OC5CCOCC5)cc4C)C3(F)F)nn2)C1,AXSUNICRMBIWEU-UHFFFAOYSA-N
29701
+ rxn:3:49937:35117:66280,C=C(C)c1cn(CC2C(c3cn[nH]c3C(=O)NC3CC(OC)C34CCC4)C2(F)F)nn1,MNQSCVBPHRLSRA-UHFFFAOYSA-N
29702
+ rxn:3:49937:35117:69318,C=C(C)c1cn(CC2C(c3cn[nH]c3C(=O)NCC3(COCC)CCC3)C2(F)F)nn1,WYKULVHYFONTSD-UHFFFAOYSA-N
29703
+ rxn:3:50032:3725:69859,CC1(C)CCCCN(CCc2cn(CC3C(c4scnc4C(=O)N[C@H]4CC[Se]C4)C3(F)F)nn2)C1,BGTHTDQHAWTPLW-VIQWUECVSA-N
29704
+ rxn:3:50432:16799:68820,CCc1c(-c2cn(CC3C(c4cccnc4C(=O)NC4CSC4C4CCCC4)C3(F)F)nn2)cnn1C1CC1,CKSJMQUHLRLNSX-UHFFFAOYSA-N
29705
+ rxn:3:50432:16894:86223,CCCc1c(-c2cn(CC3C(c4cccnc4C(=O)NC4CCCCCC4(C)C)C3(F)F)nn2)cnn1C1CCC1,MLILFOGJMOCHFD-UHFFFAOYSA-N
29706
+ rxn:3:50432:2259:68832,CCN1CCC(c2cn(CC3C(c4cccnc4C(=O)NOC(C)COC)C3(F)F)nn2)CC1,FOOCLZOUUXIRPH-UHFFFAOYSA-N
29707
+ rxn:3:50435:35117:67769,C=C(C)c1cn(CC2C(c3cccc(C(=O)NCCOC4(C)CCOCC4)n3)C2(F)F)nn1,PZMYLUFNQXOSGA-UHFFFAOYSA-N
29708
+ rxn:3:50436:35117:67769,C=C(C)c1cn(CC2C(c3ccc(C(=O)NCCOC4(C)CCOCC4)cn3)C2(F)F)nn1,JEVQURZOFGACMK-UHFFFAOYSA-N
29709
+ rxn:3:50437:16799:68589,CCc1c(-c2cn(CC3C(c4ncccc4C(=O)NCC4CCCSCC4)C3(F)F)nn2)cnn1C1CC1,GWHMFVJHKAQDDX-UHFFFAOYSA-N
29710
+ rxn:3:50437:16799:68820,CCc1c(-c2cn(CC3C(c4ncccc4C(=O)NC4CSC4C4CCCC4)C3(F)F)nn2)cnn1C1CC1,DLNRVVYUIQSLOB-UHFFFAOYSA-N
29711
+ rxn:3:50439:4364:69859,CC(C)CCN(C)Cc1cn(CC2C(c3ccnc(C(=O)N[C@H]4CC[Se]C4)c3)C2(F)F)nn1,GOXVRXZUPGNKEH-OCDPCBSRSA-N
29712
+ rxn:3:50439:8674:67769,CC(c1cn(CC2C(c3ccnc(C(=O)NCCOC4(C)CCOCC4)c3)C2(F)F)nn1)N1CCCC1,JRTMMJSOGCUIPN-UHFFFAOYSA-N
29713
+ rxn:3:50440:16799:66389,CCc1c(-c2cn(CC3C(c4cnccc4C(=O)NC4CCCCC(OC)C4)C3(F)F)nn2)cnn1C1CC1,VMCPYEDQMLQORG-UHFFFAOYSA-N
29714
+ rxn:3:50440:35117:68061,C=C(C)c1cn(CC2C(c3cnccc3C(=O)NCC(C)COC3CCCCCC3)C2(F)F)nn1,GMGIRQYTWWQZAG-UHFFFAOYSA-N
29715
+ rxn:3:50656:16799:66389,CCc1c(-c2cn(CC3C(c4cc(C(=O)NC5CCCCC(OC)C5)ccc4F)C3(F)F)nn2)cnn1C1CC1,FVVUYYUTHHNHGP-UHFFFAOYSA-N
29716
+ rxn:3:50788:2259:69083,CCN1CCC(c2cn(CC3C(c4cnn([C@@H](C)C(=O)NC(C)C5COC5)c4)C3(F)F)nn2)CC1,JZJRPBFFCVMMCL-MHOCVGFQSA-N
29717
+ rxn:3:50788:38467:117166,CCC1OCC1NC(=O)[C@H](C)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,ZPPUFBIOALPXHV-DMABHKPASA-N
29718
+ rxn:3:50788:38467:138291,C[C@@H](C(=O)NC1C2CCOC2C1(C)C)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,WXAXSBNNKKUQIU-VSPPJIELSA-N
29719
+ rxn:3:50788:38467:84875,C[C@@H](C(=O)NC1CCC[Si](C)(C)CC1)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,JCBYPBQEWUBGSB-XGMPDKQXSA-N
29720
+ rxn:3:50788:39600:68820,C[C@@H](C(=O)NC1CSC1C1CCCC1)n1cc(C2C(Cn3cc(CN4CCCC(N(C)C)C4)nn3)C2(F)F)cn1,NJKZVLOBEWPVBU-ZHFOVHOCSA-N
29721
+ rxn:3:50788:39618:84875,C[C@@H](C(=O)NC1CCC[Si](C)(C)CC1)n1cc(C2C(Cn3cc(CN(C)C4CCN(C)CC4)nn3)C2(F)F)cn1,MOCSSHHNLYLWBY-XGMPDKQXSA-N
29722
+ rxn:3:50788:5478:125530,COC1C(NC(=O)[C@H](C)n2cc(C3C(Cn4cc(CN5CCC(N(C)C)C5)nn4)C3(F)F)cn2)COC12CCC2,IUWRQEGPGYTXQO-UEJUNQEBSA-N
29723
+ rxn:3:50788:5478:68820,C[C@@H](C(=O)NC1CSC1C1CCCC1)n1cc(C2C(Cn3cc(CN4CCC(N(C)C)C4)nn3)C2(F)F)cn1,HUWFDFUABYZZRW-VSPPJIELSA-N
29724
+ rxn:3:50844:16799:68820,CCc1c(-c2cn(CC3C(c4nccc(C(=O)NC5CSC5C5CCCC5)c4F)C3(F)F)nn2)cnn1C1CC1,ZAYWLANGSFHQBM-UHFFFAOYSA-N
29725
+ rxn:3:50844:35117:66280,C=C(C)c1cn(CC2C(c3nccc(C(=O)NC4CC(OC)C45CCC5)c3F)C2(F)F)nn1,JORCLWIWGDVHOA-UHFFFAOYSA-N
29726
+ rxn:3:50871:35117:67769,C=C(C)c1cn(CC2C(c3cc(C)cnc3C(=O)NCCOC3(C)CCOCC3)C2(F)F)nn1,VQJPRHVGVOJQPD-UHFFFAOYSA-N
29727
+ rxn:3:51064:16898:129110,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)NC4COC4)C3(F)F)nn2)cnn1C1CCCSC1,SGSYBLQIACCHAR-UHFFFAOYSA-N
29728
+ rxn:3:51064:16898:134358,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)NC(C)=[Se])C3(F)F)nn2)cnn1C1CCCSC1,LMZAFRWCIICJBH-UHFFFAOYSA-N
29729
+ rxn:3:51064:16898:137368,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)NC4CC(F)C4)C3(F)F)nn2)cnn1C1CCCSC1,OWMHHRQZLQZVBT-UHFFFAOYSA-N
29730
+ rxn:3:51064:16898:69859,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)N[C@H]4CC[Se]C4)C3(F)F)nn2)cnn1C1CCCSC1,FNAJXHUWXJYUEY-ZLUSVEBWSA-N
29731
+ rxn:3:51064:16898:83480,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)NC(C)C)C3(F)F)nn2)cnn1C1CCCSC1,DFPPNXUYFUAMSD-UHFFFAOYSA-N
29732
+ rxn:3:51064:16898:91128,CCCc1c(-c2cn(CC3C(c4cccc(OC)c4C(=O)NC4CCOC4)C3(F)F)nn2)cnn1C1CCCSC1,YLQOHVGBEFIBQL-UHFFFAOYSA-N
29733
+ rxn:3:51497:16799:65873,CCc1c(-c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6CCCOc7cc(OC)ccc76)[nH]n5)cc4)C3(F)F)nn2)cnn1C1CC1,MNDNMCRIALYLMG-UHFFFAOYSA-N
29734
+ rxn:3:51876:35117:69696,C=C(C)c1cn(CCC2CC2c2cscc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,GZGNYLLLXKDGQU-UHFFFAOYSA-N
29735
+ rxn:3:52484:29726:138685,COS(=O)(=O)c1ccccc1NC(=O)c1ccc(C2CC2CCn2cc(C3=CCCCCCCCCCC3)nn2)cn1,KJGZMSSRBGCKLO-UHFFFAOYSA-N
29736
+ rxn:3:52484:35117:69696,C=C(C)c1cn(CCC2CC2c2ccc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)nc2)nn1,COEOKSNLWZUWAJ-UHFFFAOYSA-N
29737
+ rxn:3:52484:35117:69871,C=C(C)c1cn(CCC2CC2c2ccc(C(=O)NC(C)CC3CCC(F)(F)CC3)nc2)nn1,WIQNRQDVAYDVJC-UHFFFAOYSA-N
29738
+ rxn:3:52485:29726:138685,COS(=O)(=O)c1ccccc1NC(=O)c1ncccc1C1CC1CCn1cc(C2=CCCCCCCCCCC2)nn1,QDGAKAIRHMZPJP-UHFFFAOYSA-N
29739
+ rxn:3:52488:35117:140411,C=C(C)c1cn(CCC2CC2c2cccc(C(=O)NCC(OC)C3CCC(F)(F)CC3)n2)nn1,LXQDSDWUHYMAJZ-UHFFFAOYSA-N
29740
+ rxn:3:52488:35117:67374,C=C(C)c1cn(CCC2CC2c2cccc(C(=O)NC(C)(C)C3CCC(F)(F)C3)n2)nn1,FBIBTLRGFPRIRF-UHFFFAOYSA-N
29741
+ rxn:3:52490:29726:138685,COS(=O)(=O)c1ccccc1NC(=O)c1cccnc1C1CC1CCn1cc(C2=CCCCCCCCCCC2)nn1,NIWFDNBFGAHPPC-UHFFFAOYSA-N
29742
+ rxn:3:52490:35117:69696,C=C(C)c1cn(CCC2CC2c2ncccc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,AUJGOCIWHRUVJG-UHFFFAOYSA-N
29743
+ rxn:3:52491:29726:136680,COS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3CCn3cc(C4=CCCCCCCCCCC4)nn3)ccn2)c1,RDZTVONXFMMTEJ-UHFFFAOYSA-N
29744
+ rxn:3:52491:29726:138685,COS(=O)(=O)c1ccccc1NC(=O)c1cc(C2CC2CCn2cc(C3=CCCCCCCCCCC3)nn2)ccn1,GERZBJYTALFPFD-UHFFFAOYSA-N
29745
+ rxn:3:52491:35117:67374,C=C(C)c1cn(CCC2CC2c2ccnc(C(=O)NC(C)(C)C3CCC(F)(F)C3)c2)nn1,YCLLSVGWNGHMDJ-UHFFFAOYSA-N
29746
+ rxn:3:52491:35117:69696,C=C(C)c1cn(CCC2CC2c2ccnc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)c2)nn1,BOUXURIRENEVHR-UHFFFAOYSA-N
29747
+ rxn:3:52492:29726:132818,O=C(NCCc1ccc(S(=O)(=O)F)s1)c1ccncc1C1CC1CCn1cc(C2=CCCCCCCCCCC2)nn1,DLRMKWAIXSSTDU-UHFFFAOYSA-N
29748
+ rxn:3:53319:39139:69859,O=C(CC1C(c2cccc(-n3cc(C(CN4CCCC4)N4CCCC4)nn3)c2)C1(F)F)N[C@H]1CC[Se]C1,RIZWPKZYGJJZEH-LRPGZTPWSA-N
29749
+ rxn:3:53633:35117:66188,C=C(C)c1cn(CCC2C(c3sccc3C(=O)NCC3OCCOC34CCC4)C2(F)F)nn1,RMGOIZICLAHQDF-UHFFFAOYSA-N
29750
+ rxn:3:53633:35117:66389,C=C(C)c1cn(CCC2C(c3sccc3C(=O)NC3CCCCC(OC)C3)C2(F)F)nn1,VDGCFLFPPFWZFU-UHFFFAOYSA-N
29751
+ rxn:3:53635:35117:66280,C=C(C)c1cn(CCC2C(c3cscc3C(=O)NC3CC(OC)C34CCC4)C2(F)F)nn1,HYTPUDCPNXQPRM-UHFFFAOYSA-N
29752
+ rxn:3:53635:35117:66389,C=C(C)c1cn(CCC2C(c3cscc3C(=O)NC3CCCCC(OC)C3)C2(F)F)nn1,LFUIZTZQARMPJC-UHFFFAOYSA-N
29753
+ rxn:3:53780:2259:67726,CCN1CCC(c2cn(CCOc3cccnc3C(=O)NCC(F)(F)C3CC3)nn2)CC1,BUIVGZOODDQCAY-UHFFFAOYSA-N
29754
+ rxn:3:53841:35117:67005,C=C(C)c1cn(CCC2C(c3scnc3C(=O)N[C@H](CCC)C3CCCC3)C2(F)F)nn1,QHECDBFEUWQYAD-TVRKMHQQSA-N
29755
+ rxn:3:53841:35117:69782,C=C(C)c1cn(CCC2C(c3scnc3C(=O)NCC3(COC)CCOCC3)C2(F)F)nn1,WSOVPKJVVYXPRC-UHFFFAOYSA-N
29756
+ rxn:3:54195:35117:67407,C=C(C)c1cn(CCC2C(c3cccnc3C(=O)NCC3CC4(CCOCC4)C3)C2(F)F)nn1,JWRNIKFAQRAWNH-UHFFFAOYSA-N
29757
+ rxn:3:54198:35117:67769,C=C(C)c1cn(CCC2C(c3ccc(C(=O)NCCOC4(C)CCOCC4)cn3)C2(F)F)nn1,ZBNZERPXICEBBB-UHFFFAOYSA-N
29758
+ rxn:3:54199:35117:66173,C=C(C)c1cn(CCC2C(c3ncccc3C(=O)NC3CC(OCC)C34CCC4)C2(F)F)nn1,IJYKDMIMOLRBFY-UHFFFAOYSA-N
29759
+ rxn:3:54199:35117:66280,C=C(C)c1cn(CCC2C(c3ncccc3C(=O)NC3CC(OC)C34CCC4)C2(F)F)nn1,OYDWWEJNVJWMBF-UHFFFAOYSA-N
29760
+ rxn:3:54200:35117:67769,C=C(C)c1cn(CCC2C(c3ccnc(C(=O)NCCOC4(C)CCOCC4)c3)C2(F)F)nn1,FFHUXKNUHZMRQL-UHFFFAOYSA-N
29761
+ rxn:3:54202:16799:68820,CCc1c(-c2cn(CCC3C(c4cnccc4C(=O)NC4CSC4C4CCCC4)C3(F)F)nn2)cnn1C1CC1,YEIHMUOBWOGQIJ-UHFFFAOYSA-N
29762
+ rxn:3:54202:35117:66188,C=C(C)c1cn(CCC2C(c3cnccc3C(=O)NCC3OCCOC34CCC4)C2(F)F)nn1,DLCGIMHQIHUBLM-UHFFFAOYSA-N
29763
+ rxn:3:54202:35117:66833,C=C(C)c1cn(CCC2C(c3cnccc3C(=O)NC3CCC4(CCOCC4)C3)C2(F)F)nn1,QIFZWEPYMGWKEB-UHFFFAOYSA-N
29764
+ rxn:3:54202:35117:67407,C=C(C)c1cn(CCC2C(c3cnccc3C(=O)NCC3CC4(CCOCC4)C3)C2(F)F)nn1,OFLIOKAJEFOCGW-UHFFFAOYSA-N
29765
+ rxn:3:54202:35117:70093,C=C(C)c1cn(CCC2C(c3cnccc3C(=O)NC3(C)CCCC(CC)C3)C2(F)F)nn1,IDLCHFWAHLNXNM-UHFFFAOYSA-N
29766
+ rxn:3:54519:35117:67005,C=C(C)c1cn(CCC2C(c3nccc(C(=O)N[C@H](CCC)C4CCCC4)c3F)C2(F)F)nn1,HBLCVYZUTPTIRE-OBXNSHGQSA-N
29767
+ rxn:3:5477:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5(F)F)c4)nn3)C2)CCO1,BXIQIRCXKTYGSW-ZRFLGMCQSA-N
29768
+ rxn:3:55877:16894:129417,CCCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4C5CCCC(F)(F)C54)c3)nn2)cnn1C1CCC1,CASAXUONZNHLJG-UHFFFAOYSA-N
29769
+ rxn:3:55877:16894:140611,CCCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCC(F)(F)C4)c3)nn2)cnn1C1CCC1,QHAWTYGWIXGUKS-UHFFFAOYSA-N
29770
+ rxn:3:55877:16894:66152,CCCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC(F)(F)C4)c3)nn2)cnn1C1CCC1,GNGVUNRTWJOUTA-UHFFFAOYSA-N
29771
+ rxn:3:55877:17566:67374,CCc1cc(-c2cn(CC3CC3c3cncc(C(=O)NC(C)(C)C4CCC(F)(F)C4)c3)nn2)nn1C1CCC1,GUTFOJWASZZDBH-UHFFFAOYSA-N
29772
+ rxn:3:55877:17566:80299,CCc1cc(-c2cn(CC3CC3c3cncc(C(=O)NC(C)(C)C4CCCC(F)(F)C4)c3)nn2)nn1C1CCC1,PSFFMCPBCPBWOF-UHFFFAOYSA-N
29773
+ rxn:3:55877:35117:134908,C=C(C)c1cn(CC2CC2c2cncc(C(=O)NCC3CC(C)(C)CC(F)(F)C3)c2)nn1,XCKPSYIUQUFZRF-UHFFFAOYSA-N
29774
+ rxn:3:55879:16799:69696,CCc1c(-c2cn(CC3CC3c3cccnc3C(=O)NC(C)(C)C(F)(F)C3CCCC3)nn2)cnn1C1CC1,GZLBLXDOYQKRKZ-UHFFFAOYSA-N
29775
+ rxn:3:55881:16799:67374,CCc1c(-c2cn(CC3CC3c3cc(C(=O)NC(C)(C)C4CCC(F)(F)C4)ccn3)nn2)cnn1C1CC1,KTPRDCLYZVGSAI-UHFFFAOYSA-N
29776
+ rxn:3:55881:16894:140611,CCCc1c(-c2cn(CC3CC3c3cc(C(=O)NC4CCCC(F)(F)C4)ccn3)nn2)cnn1C1CCC1,MSHABAHHKQAVGF-UHFFFAOYSA-N
29777
+ rxn:3:55881:17566:67374,CCc1cc(-c2cn(CC3CC3c3cc(C(=O)NC(C)(C)C4CCC(F)(F)C4)ccn3)nn2)nn1C1CCC1,ZUAFAKBZANSKHM-UHFFFAOYSA-N
29778
+ rxn:3:55881:17653:107063,CCCc1cc(-c2cn(CC3CC3c3cc(C(=O)NC4CCCC4(F)F)ccn3)nn2)nn1C1CCCC1,FFXQFKYWGTVARW-UHFFFAOYSA-N
29779
+ rxn:3:55883:16799:67374,CCc1c(-c2cn(CC3CC3c3cccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)n3)nn2)cnn1C1CC1,VVLVGQVTDKQIIM-UHFFFAOYSA-N
29780
+ rxn:3:55883:16894:140611,CCCc1c(-c2cn(CC3CC3c3cccc(C(=O)NC4CCCC(F)(F)C4)n3)nn2)cnn1C1CCC1,IHWXMAXMHDDPFS-UHFFFAOYSA-N
29781
+ rxn:3:55883:35117:69871,C=C(C)c1cn(CC2CC2c2cccc(C(=O)NC(C)CC3CCC(F)(F)CC3)n2)nn1,KECQVBRMJZZJSJ-UHFFFAOYSA-N
29782
+ rxn:3:55884:16894:140611,CCCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC4CCCC(F)(F)C4)cn3)nn2)cnn1C1CCC1,HZNVVXAFMNRPMK-UHFFFAOYSA-N
29783
+ rxn:3:55884:17566:67374,CCc1cc(-c2cn(CC3CC3c3ccc(C(=O)NC(C)(C)C4CCC(F)(F)C4)cn3)nn2)nn1C1CCC1,NJOPIGYOJWPFHO-UHFFFAOYSA-N
29784
+ rxn:3:55885:16799:67374,CCc1c(-c2cn(CC3CC3c3ncccc3C(=O)NC(C)(C)C3CCC(F)(F)C3)nn2)cnn1C1CC1,IWTFGGGXUWDOMR-UHFFFAOYSA-N
29785
+ rxn:3:55888:16799:67374,CCc1c(-c2cn(CC3CC3c3cnccc3C(=O)NC(C)(C)C3CCC(F)(F)C3)nn2)cnn1C1CC1,LGRHYHDLSZVSCN-UHFFFAOYSA-N
29786
+ rxn:3:56330:29726:136680,COS(=O)(=O)c1cccc(NC(=O)Cc2ccc(C3CC3Cn3cc(C4=CCCCCCCCCCC4)nn3)cn2)c1,YMWDSWBQYIVAPM-UHFFFAOYSA-N
29787
+ rxn:3:56330:29726:138685,COS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(C2CC2Cn2cc(C3=CCCCCCCCCCC3)nn2)cn1,WPKWKOGWSBDGLP-UHFFFAOYSA-N
29788
+ rxn:3:57297:35117:69696,C=C(C)c1cn(CCCc2cscc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,FDWMGYSQMNPKCY-UHFFFAOYSA-N
29789
+ rxn:3:57883:35117:69696,C=C(C)c1cn(CCCc2ccc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)nc2)nn1,ADDMJPOURHHECG-UHFFFAOYSA-N
29790
+ rxn:3:57885:35117:69509,C=C(C)c1cn(CCCc2cc(C(=O)NCC3(OCC)CCC(F)(F)CC3)ccn2)nn1,IQYUYKCELQMDKQ-UHFFFAOYSA-N
29791
+ rxn:3:57886:35117:67474,C=C(C)c1cn(CCCc2cccc(C(=O)NC3CCC4(CC3)C(CC)C4(F)F)n2)nn1,ZCVWWXXFHZWRKE-UHFFFAOYSA-N
29792
+ rxn:3:57887:35117:69509,C=C(C)c1cn(CCCc2ccc(C(=O)NCC3(OCC)CCC(F)(F)CC3)cn2)nn1,LOZIOEFYVOOCLG-UHFFFAOYSA-N
29793
+ rxn:3:57888:35117:140411,C=C(C)c1cn(CCCc2ncccc2C(=O)NCC(OC)C2CCC(F)(F)CC2)nn1,CBEIBABHUMJSNN-UHFFFAOYSA-N
29794
+ rxn:3:57890:35117:66755,C=C(C)c1cn(CCCc2cnccc2C(=O)NCC(C)C2CCC(F)(F)CC2)nn1,VFYLYEBQSLMIPL-UHFFFAOYSA-N
29795
+ rxn:3:59852:12139:104224,COC[C@H]1C[C@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5cncnc5)nn4)C3)CCO2)C1,KJRIUSLHWRBCCZ-MXHFSHHNSA-N
29796
+ rxn:3:59852:12139:84067,COC[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5cncnc5)nn4)C3)CCO2)C1,KJRIUSLHWRBCCZ-NONMLKONSA-N
29797
+ rxn:3:60580:6257:77803,C=CC[C@@H](C(=O)NC1CCC2C1C2(F)F)n1cc(-c2cc(N(C)C3CCN(C)CC3)ncn2)nn1,KQCAZHQLZKKUEH-FUKKJLEVSA-N
29798
+ rxn:3:60580:9248:86784,C=CC[C@@H](C(=O)NCC#Cc1cccc2ccsc12)n1cc(C(CN2CCCCC2)N2CCCCC2)nn1,LYYLAIZCEHINOO-MBMZGMDYSA-N
29799
+ rxn:3:60582:11681:77803,C=CC[C@H](C(=O)NC1CCC2C1C2(F)F)n1cc(CN2CCCCC2c2cccnc2)nn1,FPBFXDIZXUOEIO-SWXIYASGSA-N
29800
+ rxn:3:60582:29454:115749,C=CC[C@H](C(=O)N[C@H](CC)C1CC(F)(F)CCO1)n1cc(C[N+]23CN4CN(CN(C4)C2)C3)nn1,PFMTZYJXPJMRSU-LEAGNCFPSA-O
29801
+ rxn:3:60582:29454:84513,C=CC[C@H](C(=O)NC1C2CC(F)(F)CC21)n1cc(C[N+]23CN4CN(CN(C4)C2)C3)nn1,NXSYRIBLNCENQM-QQQDYKAYSA-O
29802
+ rxn:3:60582:38467:115749,C=CC[C@H](C(=O)N[C@H](CC)C1CC(F)(F)CCO1)n1cc(CN(C)C2CCCCC2)nn1,YNGIZFLWAVOANN-OSBQEZSISA-N
29803
+ rxn:3:60582:38467:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(CN(C)C2CCCCC2)nn1,UUYRTBKUIQFKGC-WMGUDHAHSA-N
29804
+ rxn:3:60582:39600:115749,C=CC[C@H](C(=O)N[C@H](CC)C1CC(F)(F)CCO1)n1cc(CN2CCCC(N(C)C)C2)nn1,KUFOYHNOYLFKTP-JWFWCLOMSA-N
29805
+ rxn:3:60582:9248:86784,C=CC[C@H](C(=O)NCC#Cc1cccc2ccsc12)n1cc(C(CN2CCCCC2)N2CCCCC2)nn1,LYYLAIZCEHINOO-QXPUDEPPSA-N
29806
+ rxn:3:60582:9248:98645,C=CC[C@H](C(=O)NCC#Cc1cccc2sccc12)n1cc(C(CN2CCCCC2)N2CCCCC2)nn1,BHFVJSYJTLHTGI-QXPUDEPPSA-N
29807
+ rxn:3:62154:16842:140411,CCCn1ncc(-c2cn([C@@H](C)C(=O)NCC(OC)C3CCC(F)(F)CC3)nn2)c1C1CC1,POMSSFCRXBASNS-OOJLDXBWSA-N
29808
+ rxn:3:62154:39618:82628,C[C@@H](C(=O)NC(C1CC1)C(C)(F)F)n1cc(CN(C)C2CCN(C)CC2)nn1,QRZYNKNIKSWJEE-CWQZNGJJSA-N
29809
+ rxn:3:62154:6257:85432,C[C@@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(-c2cc(N(C)C3CCN(C)CC3)ncn2)nn1,FZXFRXFLFJCDTQ-XBQJNLOXSA-N
29810
+ rxn:3:62466:10393:67726,O=C(NCC(F)(F)C1CC1)C1CCC(n2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)C2CCC12,ASXBTRQUEVXMBO-UHFFFAOYSA-N
29811
+ rxn:3:62466:11681:69696,CC(C)(NC(=O)C1CCC(n2cc(CN3CCCCC3c3cccnc3)nn2)C2CCC12)C(F)(F)C1CCCC1,CSFIGULUFOYTFU-UHFFFAOYSA-N
29812
+ rxn:3:62466:11731:69561,CCOC(CNC(=O)C1CCC(n2cc(CCn3ccnc3)nn2)C2CCC12)C1CCC(F)(F)CC1,GXARDVJHZUIHFO-UHFFFAOYSA-N
29813
+ rxn:3:62466:15487:129999,O=C(Nc1ccccc1OS(=O)(=O)F)C1CCC(n2cc(-c3cn(C4CCCC4)nc3C3CCCC3)nn2)C2CCC12,BISYRYUMQYZXDE-UHFFFAOYSA-N
29814
+ rxn:3:62466:15487:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4cn(C5CCCC5)nc4C4CCCC4)nn3)C3CCC23)c1,LGODPHOXNUEGIH-UHFFFAOYSA-N
29815
+ rxn:3:62466:15487:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3cn(C4CCCC4)nc3C3CCCC3)nn2)C2CCC12,RKXHULPFWKRMHF-UHFFFAOYSA-N
29816
+ rxn:3:62466:15487:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)C1CCC(n2cc(-c3cn(C4CCCC4)nc3C3CCCC3)nn2)C2CCC12,UVCJLLPAXPHVHS-UHFFFAOYSA-N
29817
+ rxn:3:62466:15487:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCC(n2cc(-c3cn(C4CCCC4)nc3C3CCCC3)nn2)C2CCC12,RCVKNWOZHSHEOD-UHFFFAOYSA-N
29818
+ rxn:3:62466:15533:83860,CC(C)Cc1nn(C2CCCC2)cc1-c1cn(C2CCC(C(=O)Nc3cccc(OS(=O)(=O)F)c3)C3CCC32)nn1,KEMIRFMWRKUECM-UHFFFAOYSA-N
29819
+ rxn:3:62466:15669:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4cn(C5CC5)nc4C4CCCCC4)nn3)C3CCC23)c1,SSXZSKHLITURPW-UHFFFAOYSA-N
29820
+ rxn:3:62466:15669:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CCC(n2cc(-c3cn(C4CC4)nc3C3CCCCC3)nn2)C2CCC12,ZFNURCBGDODKDE-UHFFFAOYSA-N
29821
+ rxn:3:62466:16826:84726,CC(C)c1c(-c2cn(C3CCC(C(=O)Nc4cccc(OCC(C)(F)F)c4)C4CCC43)nn2)cnn1C1CCSCC1,CIMFAJGHOKTIOS-UHFFFAOYSA-N
29822
+ rxn:3:62466:16859:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)C1CCC(n2cc(-c3cnn(C4CCCC4)c3C3CCC3)nn2)C2CCC12,PCKFGGCLAAGGHK-UHFFFAOYSA-N
29823
+ rxn:3:62466:16861:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)C1CCC(n2cc(-c3cnn(C4CCCCC4)c3C3CCC3)nn2)C2CCC12,HJFMUQWMAHPTFJ-UHFFFAOYSA-N
29824
+ rxn:3:62466:16874:129999,O=C(Nc1ccccc1OS(=O)(=O)F)C1CCC(n2cc(-c3cnn(C4CCC4)c3C3CCCC3)nn2)C2CCC12,YMIYIQIIKBYREZ-UHFFFAOYSA-N
29825
+ rxn:3:62466:16874:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3cnn(C4CCC4)c3C3CCCC3)nn2)C2CCC12,KEDNTOCLQPBSDN-UHFFFAOYSA-N
29826
+ rxn:3:62466:16874:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)C1CCC(n2cc(-c3cnn(C4CCC4)c3C3CCCC3)nn2)C2CCC12,IULSTCDBFQMJQL-UHFFFAOYSA-N
29827
+ rxn:3:62466:16898:83860,CCCc1c(-c2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)cnn1C1CCCSC1,VJFLBOWLBUYFHC-UHFFFAOYSA-N
29828
+ rxn:3:62466:16952:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4cnn(C5CCC5)c4CC4CCCC4)nn3)C3CCC23)c1,ZXCZTAKTBKPRQV-UHFFFAOYSA-N
29829
+ rxn:3:62466:17623:129999,O=C(Nc1ccccc1OS(=O)(=O)F)C1CCC(n2cc(-c3cc(C4CCC4)n(C4CCCCC4)n3)nn2)C2CCC12,XWTMUBVCXKMJMY-UHFFFAOYSA-N
29830
+ rxn:3:62466:17623:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCC(n2cc(-c3cc(C4CCC4)n(C4CCCCC4)n3)nn2)C2CCC12,HFRSOJZHCWFMQB-UHFFFAOYSA-N
29831
+ rxn:3:62466:17723:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCC(n2cc(-c3cc(C4CCCCC4)n(C4CC4)n3)nn2)C2CCC12,FLBSGDBCLXAHEL-UHFFFAOYSA-N
29832
+ rxn:3:62466:17986:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCCC3)CSC4)nn2)C2CCC12,AKKOJENLTXOYGO-UHFFFAOYSA-N
29833
+ rxn:3:62466:18021:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4c5c(nn4CC4CCCC4)CCC5)nn3)C3CCC23)c1,ZDJUYFZZHZYVMC-UHFFFAOYSA-N
29834
+ rxn:3:62466:18021:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3CC3CCCC3)CCC4)nn2)C2CCC12,CUTCSUZMRASAOD-UHFFFAOYSA-N
29835
+ rxn:3:62466:18024:102946,COS(=O)(=O)c1ccc(NC(=O)C2CCC(n3cc(-c4c5c(nn4C4CCCSC4)CCC5)nn3)C3CCC23)cc1,OBKBTOGOFQYAOO-UHFFFAOYSA-N
29836
+ rxn:3:62466:18024:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4c5c(nn4C4CCCSC4)CCC5)nn3)C3CCC23)c1,OIAKUKIDRMSHQM-UHFFFAOYSA-N
29837
+ rxn:3:62466:18024:138685,COS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCSC3)CCC4)nn2)C2CCC12,GTZJHLRIHHYCHR-UHFFFAOYSA-N
29838
+ rxn:3:62466:18024:97875,COCC#Cc1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCSC3)CCC4)nn2)C2CCC12,DLISIJIEBSGAGM-UHFFFAOYSA-N
29839
+ rxn:3:62466:18030:117805,CCOS(=O)(=O)c1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCCC3)CCCC4)nn2)C2CCC12,SNAKGCHONJKUDK-UHFFFAOYSA-N
29840
+ rxn:3:62466:18030:92572,CCOS(=O)(=O)c1ccc(NC(=O)C2CCC(n3cc(-c4c5c(nn4C4CCCCC4)CCCC5)nn3)C3CCC23)cc1,DNHRPMSOXDWKOJ-UHFFFAOYSA-N
29841
+ rxn:3:62466:18591:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCC(n2cc(-c3nn(C4CCCCC4)cc3C3CCC3)nn2)C2CCC12,GVMPYFBZYVCSHQ-UHFFFAOYSA-N
29842
+ rxn:3:62466:18593:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(-c4nn(C5CCSCC5)cc4C4CCC4)nn3)C3CCC23)c1,YICXERZLDIVLAL-UHFFFAOYSA-N
29843
+ rxn:3:62466:18758:83581,CC(C)c1nn(C(C)C(F)(F)F)cc1-c1cn(C2CCC(C(=O)NC3CCCOC3C(C)(C)C)C3CCC32)nn1,QUUKJKQYDDYAFZ-UHFFFAOYSA-N
29844
+ rxn:3:62466:1881:69696,CC(C)(NC(=O)C1CCC(n2cc(-c3cnc4scnc4c3)nn2)C2CCC12)C(F)(F)C1CCCC1,POLMTWKEPRYFMU-UHFFFAOYSA-N
29845
+ rxn:3:62466:1942:67374,Cc1cn(-c2ccc(-c3cn(C4CCC(C(=O)NC(C)(C)C5CCC(F)(F)C5)C5CCC54)nn3)cn2)cn1,BITPZEWHLSRIQC-UHFFFAOYSA-N
29846
+ rxn:3:62466:24161:136680,COS(=O)(=O)c1cccc(NC(=O)C2CCC(n3cc(C4CCC(N(C)C)CC4)nn3)C3CCC23)c1,FUNFJWPKFPTWPB-UHFFFAOYSA-N
29847
+ rxn:3:62466:429:69561,CCOC(CNC(=O)C1CCC(n2cc(-c3ncnc4ccncc34)nn2)C2CCC12)C1CCC(F)(F)CC1,AUCABGMVADBJMY-UHFFFAOYSA-N
29848
+ rxn:3:62466:5180:65860,CCCC(Cc1cn(C2CCC(C(=O)NC3(C)CCCC3(F)F)C3CCC32)nn1)c1cccnc1,CSFAWKBDOHVNFU-UHFFFAOYSA-N
29849
+ rxn:3:62466:5474:69696,CN(C)c1ncc(-c2cn(C3CCC(C(=O)NC(C)(C)C(F)(F)C4CCCC4)C4CCC43)nn2)cn1,AVOXQNQEEQTLNK-UHFFFAOYSA-N
29850
+ rxn:3:62466:6257:70903,C[C@@H](NC(=O)C1CCC(n2cc(-c3cc(N(C)C4CCN(C)CC4)ncn3)nn2)C2CCC12)C(C)(F)F,IIDZFVUEBDNGST-DISFUBAWSA-N
29851
+ rxn:3:62466:6504:69561,C=Cc1cnn(Cc2cn(C3CCC(C(=O)NCC(OCC)C4CCC(F)(F)CC4)C4CCC43)nn2)c1,HTZHCYLNVFVCKI-UHFFFAOYSA-N
29852
+ rxn:3:62466:6585:69696,CC(C)(NC(=O)C1CCC(n2cc(CN3CCn4nccc4C3)nn2)C2CCC12)C(F)(F)C1CCCC1,QCXPNMIGHCEFBV-UHFFFAOYSA-N
29853
+ rxn:3:62466:6660:66627,CC1(C)CCC(F)(F)CC1NC(=O)C1CCC(n2cc(Cn3nc(-c4cnccn4)c4c3CCC4)nn2)C2CCC12,NHOAZIVVQJBJMC-UHFFFAOYSA-N
29854
+ rxn:3:62466:6875:69871,CCc1cc(-c2ccncc2)nn1Cc1cn(C2CCC(C(=O)NC(C)CC3CCC(F)(F)CC3)C3CCC32)nn1,VHJQIXKZNROXOZ-UHFFFAOYSA-N
29855
+ rxn:3:62466:6880:66755,CCc1cc(-c2cccnc2)nn1Cc1cn(C2CCC(C(=O)NCC(C)C3CCC(F)(F)CC3)C3CCC32)nn1,HZFUAVCSFBYFRN-UHFFFAOYSA-N
29856
+ rxn:3:62466:7075:66627,CN1CCN(c2ncccc2-c2cn(C3CCC(C(=O)NC4CC(F)(F)CCC4(C)C)C4CCC43)nn2)CC1,JWDXTLRXFUYGPF-UHFFFAOYSA-N
29857
+ rxn:3:62466:7075:67712,CN1CCN(c2ncccc2-c2cn(C3CCC(C(=O)NC(C)(C)CC4CC4(F)F)C4CCC43)nn2)CC1,WRMKUVGZAJBDPZ-UHFFFAOYSA-N
29858
+ rxn:3:62466:9334:77803,N#Cc1cc2c(nc1SCc1cn(C3CCC(C(=O)NC4CCC5C4C5(F)F)C4CCC43)nn1)CCCCC2,MZKIOYLMXQINGW-UHFFFAOYSA-N
29859
+ rxn:3:62653:16779:92811,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CCOC5C45CCCC5)C(C)C)C3)nn2)cnn1CC(F)(F)F,MWVTXFVSCPDWQN-UHFFFAOYSA-N
29860
+ rxn:3:62662:5265:85433,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N([C@H](C(=O)NC(F)(F)CC)C(C)C)C2)nn1,GFMRFYFWANZFJZ-MLFGXNJISA-N
29861
+ rxn:3:62666:24201:136003,CC(c1cn(CC2CC(=O)N(C(C)CC(=O)NC3COCC(C)(C)O3)C2)nn1)N1CC(F)(F)C1,GNLVVGJBNMPTRH-UHFFFAOYSA-N
29862
+ rxn:3:62781:16779:130418,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC(C)(C)C4CCCO4)C4CC4)C3)nn2)cnn1CC(F)(F)F,KZUFSRPYYVVHTA-UHFFFAOYSA-N
29863
+ rxn:3:62781:16779:136003,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4COCC(C)(C)O4)C4CC4)C3)nn2)cnn1CC(F)(F)F,XHEOCNWWPOPBDM-UHFFFAOYSA-N
29864
+ rxn:3:62781:16779:136630,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)C4CCCO4)C4CC4)C3)nn2)cnn1CC(F)(F)F,AKHXQANLEHTEPT-UHFFFAOYSA-N
29865
+ rxn:3:62781:16779:138291,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CCOC5C4(C)C)C4CC4)C3)nn2)cnn1CC(F)(F)F,VLXYFVSILGKJAU-UHFFFAOYSA-N
29866
+ rxn:3:62781:5265:81196,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NCC3CC(F)(F)CO3)C3CC3)C2)nn1,XDFAUZKWZVJWGS-UHFFFAOYSA-N
29867
+ rxn:3:62782:16779:119583,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4CC5OCCC5O4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,SBIRQTLDGVTUJK-UHFFFAOYSA-N
29868
+ rxn:3:62782:16779:122257,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)C4CCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,DSJBSXZBUNKWHG-UHFFFAOYSA-N
29869
+ rxn:3:62782:16779:129336,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)C4COCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,KKEFMUUXRGAQAQ-UHFFFAOYSA-N
29870
+ rxn:3:62782:16779:136003,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4COCC(C)(C)O4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,CAGOWOVVOZISML-UHFFFAOYSA-N
29871
+ rxn:3:62782:16779:136521,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4COCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,GLHKMKNXGHZTFY-UHFFFAOYSA-N
29872
+ rxn:3:62782:16779:136630,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)C4CCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,PZDJXWQEQMRLLZ-UHFFFAOYSA-N
29873
+ rxn:3:62782:16779:67365,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4OCCOC4C)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,WZYUVGCUEXLDQT-UHFFFAOYSA-N
29874
+ rxn:3:62782:16779:69760,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)C4CCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,HUIDUESTERYCRV-UHFFFAOYSA-N
29875
+ rxn:3:62782:16779:70995,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4COCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,DISLGEGSGFPNLE-UHFFFAOYSA-N
29876
+ rxn:3:62782:16779:75810,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4CC(C)(C)O4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,QSDPCFORDLBYON-UHFFFAOYSA-N
29877
+ rxn:3:62782:16779:79883,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4OCCS4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,KCKNPZPIAQNXAO-UHFFFAOYSA-N
29878
+ rxn:3:62782:16779:80434,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4(C)COC4C)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,QLRUMVJPIIRPKB-UHFFFAOYSA-N
29879
+ rxn:3:62782:16779:81884,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(C)C4CCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,WBLSJAJPOKGRNX-UHFFFAOYSA-N
29880
+ rxn:3:62782:16779:85212,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4CC(C)OC4C)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,KAMFSPFWMYQDCI-UHFFFAOYSA-N
29881
+ rxn:3:62782:16779:95297,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CCCOC5C4(C)C)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,JMUWUAOPRIEASA-UHFFFAOYSA-N
29882
+ rxn:3:62782:16897:71821,CCCc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4CCCO4)C4CCCC4)C3)nn2)cnn1CC(F)(F)F,AJJOOJHMNXCAAS-UHFFFAOYSA-N
29883
+ rxn:3:62782:2766:66798,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3(F)CCOC3)C3CCCC3)C2)nn1,RYQHFJUCRQDASV-UHFFFAOYSA-N
29884
+ rxn:3:62782:2766:67490,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NC[C@H]3CCCO3)C3CCCC3)C2)nn1,GSRZVCUZDQSNSU-NCYVPVAZSA-N
29885
+ rxn:3:62782:2766:67727,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NC3CCC4COCC43)C3CCCC3)C2)nn1,OAPGHKNTOKNGML-UHFFFAOYSA-N
29886
+ rxn:3:62782:2766:70995,CC(C)(CC(F)(F)F)c1cn(CC2CC(=O)N(C(C(=O)NCC3COCCO3)C3CCCC3)C2)nn1,FFJFCBVQYKWQRR-UHFFFAOYSA-N
29887
+ rxn:3:62782:9956:124332,CC(C)c1csc(SCc2cn(CC3CC(=O)N(C(C(=O)NC4CCCCC(F)(F)C4)C4CCCC4)C3)nn2)n1,WDPIIOFEKABFBW-UHFFFAOYSA-N
29888
+ rxn:3:62784:16779:120424,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC(c4cccs4)C4CCOCC4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,AWPXFFBYPONHGI-UHFFFAOYSA-N
29889
+ rxn:3:62784:16779:136003,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4COCC(C)(C)O4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,AILJBCKIBGLKTO-UHFFFAOYSA-N
29890
+ rxn:3:62784:16779:136521,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4COCO4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,WLXLLLRLGWWHCS-UHFFFAOYSA-N
29891
+ rxn:3:62784:16779:70995,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCC4COCCO4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,JGTHFRQVPYABJP-UHFFFAOYSA-N
29892
+ rxn:3:62784:16779:80434,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NC4(C)COC4C)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,GPLCULBFQQBXBM-UHFFFAOYSA-N
29893
+ rxn:3:62784:35117:100622,C=C(C)c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)CC)C3CCCCC3)C2)nn1,OCUYUVXOWBWQNP-UHFFFAOYSA-N
29894
+ rxn:3:62784:6890:66322,CCc1cc(C(F)(F)F)nn1Cc1cn(CC2CC(=O)N(C(C(=O)NC3CCCOC3CC)C3CCCCC3)C2)nn1,CXDDZXVLFYVQFO-UHFFFAOYSA-N
29895
+ rxn:3:62784:7192:67365,CC1OCCOC1CNC(=O)C(C1CCCCC1)N1CC(Cn2cc(-c3cnn(CCC(F)(F)F)c3)nn2)CC1=O,UVSQGLOVSSPEHL-UHFFFAOYSA-N
29896
+ rxn:3:62829:16779:108160,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NC(c4cccs4)C4COCCO4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,ZGQZTCRISWQCGI-ANFZIKQBSA-N
29897
+ rxn:3:62829:16779:120424,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NC(c4cccs4)C4CCOCC4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,AWPXFFBYPONHGI-JTPOLJGVSA-N
29898
+ rxn:3:62829:16779:138291,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NC4C5CCOC5C4(C)C)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,ZHRAKLULLAGTPY-RVJFUJLBSA-N
29899
+ rxn:3:62829:16779:77797,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NC4CCOC(c5cccs5)C4)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,MEXAMSSUGKGNDA-ATHVYRPYSA-N
29900
+ rxn:3:62829:16779:87381,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NC4COC4C(C)C)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,YVCHDKYUBZIHLI-IKFWCLPQSA-N
29901
+ rxn:3:62829:16779:98422,Cc1c(-c2cn(CC3CC(=O)N([C@H](C(=O)NCC4C5OCCOC45)C4CCCCC4)C3)nn2)cnn1CC(F)(F)F,HATJHWRUANFOCL-YMRIEFCJSA-N
29902
+ rxn:3:62829:35117:109639,C=C(C)c1cn(CC2CC(=O)N([C@H](C(=O)NCC(F)(F)CCC)C3CCCCC3)C2)nn1,YOBATOKIJSPURK-LFABVHOISA-N
29903
+ rxn:3:63924:35117:140411,C=C(C)c1cn(CC2CC(=O)N(c3c(C(=O)NCC(OC)C4CCC(F)(F)CC4)cnn3C)C2)nn1,QSDUMAOMZHJIHW-UHFFFAOYSA-N
29904
+ rxn:3:63963:16779:73742,Cc1c(-c2cn(CC3CC(=O)N(C4(C(=O)NC(c5ccsc5)C5CCOCC5)CCCC4)C3)nn2)cnn1CC(F)(F)F,XXGFENABQARECM-UHFFFAOYSA-N
29905
+ rxn:3:64276:7049:92547,O=C1CC(Cn2cc(-c3cccnc3N3CCCCCC3)nn2)CN1[C@H]1CC[C@@H](C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1,DXVCTQJMBYBVAB-OBTBEGLCSA-N
29906
+ rxn:3:65003:12214:69627,CCN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC[C@@H]4CCCO4)C3)nn2)C1,YMCNLMPCAKRQFL-KHBMUKGWSA-N
29907
+ rxn:3:888:49937:133641,CC(C)(C)N1CCN(Cc2cn(CC3C(c4cn[nH]c4C(=O)NC4CCSC4)C3(F)F)nn2)CC1,SHHYEUSNVRFEBY-UHFFFAOYSA-N
29908
+ rxn:3:979:62782:96161,CCc1csc(SCc2cn(CC3CC(=O)N(C(C(=O)NC4COCC(F)(F)C4)C4CCCC4)C3)nn2)n1,UTCMJAHGZWFDSX-UHFFFAOYSA-N