Molecule_ID,SMILES,InChI_Key
0003ECA8C5610AB0_20E67446D187A5BE_6041_UN,FC1=C(SC=C1)NC2=CC=CC3=C2OCCC3N(C)C,DJYGWVLROFIJPM-UHFFFAOYSA-N
02295C53B1EACB09_9749E812B0E29A3D_6039_DP,N3CCC1=C(C=CC(=C1)OCC2=CC=C(O[S](F)(=O)=O)C=C2)C3,CPZVTPMFINQFET-UHFFFAOYSA-N
04C1F913995EE30A_042946F3D791A7C6_6006_UN,NCCC1=CC(=C(C=C1)C2=C(OC)C=C(C=C2)F)[N](=O)=O,GXGVOJZPLMNUDZ-UHFFFAOYSA-N
069D1B7B3F3456C7_1E560CAF9F78A7F2_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCCCN3C(=O)NC2=C(C=CC=C2)C3=O,ODQBZFSSAAWPIW-UHFFFAOYSA-N
07E64E0DF99377CB_59BB9E5099D6F62A_7022_UN,C1(=C(OC=C1)Cl)NC2=CC=CC3=C2OCCC3N(C)C,VYOKDOFNIBDGFT-UHFFFAOYSA-N
082676ECEA1CD093_67C61AAC61D885F9_6041_UN,CCC1=C(C=CC(=C1)OC)NC2=CC(=C(CC)C=C2)[N](=O)=O,NRUJWMGRPRPCOW-UHFFFAOYSA-N
08A63BEFC7AC9C7D_D84A77307392EE06_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@@]3(C)COC[C@H]4CCCN34,PRTRNXYXVGHCCY-SJKOYZFVSA-N
09114B3DF7B67CFC_37799C9F138A4AF7_7022_UN,COC1=C(C=C(C(=C1)OCC2C(=C2C)[Si](C)(C)C)C3CC3)Cl,ZJUCGMBYMCCUQF-UHFFFAOYSA-N
09298FDD71BE77C3_D91770C009E3BB61_6034_UN,NCCC1=CN(C2=C1C=CC=C2Cl)CC3CNCCN(C)C3,DZBOCOVLPZTVHS-UHFFFAOYSA-N
09809FA3786705D7_EF3C97367446E0B2_6029_DP,N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C4=CC3=C(CNC3)C=C4)(=O)=O,IOJOWBBIOVKVHN-UHFFFAOYSA-N
0C2AEDBE29734BA1_5D6A28E074D98BB5_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=C(O2)C)C,BBXIXVXHVRBTNC-UHFFFAOYSA-N
0C7163F96F2A3332_FFE9D9894CAEB54C_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C3=CC4=C(C=C3)C=CN=C4C#N)(=O)=O,PKSZXTXCBAVWFR-UHFFFAOYSA-N
0C90A2481B435AD4_3E1497F1CD23327B_6031_DP,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC45OC3(CNC3)C(C4)(N)C5,DVHQDHYOCRVEQB-UHFFFAOYSA-N
0D57C1949E723FE3_DBC4F0E12B65F5AD_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC[C@H]3CNCC3,FNKJFKORGGXBNB-JTQLQIEISA-N
0E056074C65B2F0D_CD545983B5394355_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C[N](N=C3)CCC4=CC=CC=C4,GTOXURARJAWJBR-UHFFFAOYSA-N
0E96A44EA14592B5_C0930172697B82C6_6041_UN,CC1=C(C=CC(=C1)CC#N)NC2=C(C=C(OC)C=C2)[N](=O)=O,PULNMANBAJBNDQ-UHFFFAOYSA-N
0E96A44EA14592B5_DAE689DB91B8DE0A_6041_UN,CC1=C(C=CC(=C1)CC#N)NC2=C(C=C(OC)C=C2)[N](=O)=O,PULNMANBAJBNDQ-UHFFFAOYSA-N
0F14AA0D98CA852C_E66C6CCC2C0268CA_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2C3=CC=C(OC)C=C3)C4=CC=CC=C4,QTEQCXBIXYAFCD-UHFFFAOYSA-N
0FC9648ADEA693F8_FA3F90196E38071C_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC=CC(=C3)[S](C)(=N)=O,SWEIASQADNUJIG-UHFFFAOYSA-N
101FF4932A4867CD_E8AB208E96E838DF_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3C(C)(NCCO3)C,NQLIOIRIOHDIOX-UHFFFAOYSA-N
1039A20F0AC0EADC_1F60E28AC521CD97_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCOC3=NN=C(C=C3)Cl,MBQJTIOTRDXTIB-UHFFFAOYSA-N
1106CDC172B7F1F6_E955B227C4D09DCF_6034_DP,FC1=CC2=C(C=C1)C=CN(C2=O)CC45OC3(CNC3)C(C4)(N)C5,GVVDJJJRJSFABQ-UHFFFAOYSA-N
11214C0351569B24_A73A9353681CD8CB_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC4(C(C3=C[N](C)N=C3)N)CCC4,JSOIMQXVXGAUFI-UHFFFAOYSA-N
114B247594263730_5A97A285867D4F0E_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC(C)(C)C(C)(F)F,XABLEAZZNBLQKL-UHFFFAOYSA-N
119925A3770BA365_054914D52DCDCC90_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(C)C(=N[NH]3)C4=CC=CC=C4,QRSBGAVLLSWBSR-UHFFFAOYSA-N
12CF057F784E6EA8_0D18C899F16E5BCB_6031_DP,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3[C@@H]4CNC[C@H]34,VSEYQWMXDIVKTE-ULKQDVFKSA-N
13B22C07778BE8E2_8BE65F5AFFFD2C50_6029_UN,CN(CC1=CC2=C(C=C1)C=C(OC)C=C2)[S](C4=CC3=C(N=C(OC)C=C3)C=C4)(=O)=O,BKHCKLWIQMRSAO-UHFFFAOYSA-N
1475D56D01D21643_5625FE172F14BF91_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(N)C3=C(C=CC=C3)C(F)(F)F,MWTMVZCIYLUWPD-UHFFFAOYSA-N
15196C725F9FE0C3_896AD041FCA0D9DD_6029_UN,N(CC1=CCOCC1)[S](C3=CC2=C(C=C(Cl)C=C2)C=C3)(=O)=O,OYEKEIBCKPPUBV-UHFFFAOYSA-N
18B01F9BE3D32298_357A58784FFF7E37_7022_UN,COCC1=C(C=CC(=C1)OCC2=C(OC)C=CC(=C2)[S](=O)(=O)C)Cl,RUKSYZAWEQKGHP-UHFFFAOYSA-N
19724AFC8BC4E412_4294E1324A975522_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@H]3CC[C@H](N)CC3,PQCUCXJAFIEBEE-XYPYZODXSA-N
1C08B355F22340BF_2AA524A9AE161F7A_6041_UN,NN4C=NC1=C(C=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)C4=O,LNLKPMPNBICTHQ-UHFFFAOYSA-N
1C08B355F22340BF_66A4AF2EE0AD390C_6041_UN,NN4C=NC1=C(C=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)C4=O,LNLKPMPNBICTHQ-UHFFFAOYSA-N
1CEC4E772264ED7D_0A5D7F852BC6CF61_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=N[N](C=C3)CC4=CC=CC=C4,DUSIKBYKHLXWCF-UHFFFAOYSA-N
1E985F96728BAA29_BBB4F31175C0777A_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NC2=C(CC)C=C(C=C2CC)C,AHILIYLNATUJTP-UHFFFAOYSA-N
20239F40A8EA5BEC_7A660933F3741CCB_6041_UN,CN(C)CC1=C(C=CC(=C1)NC2=C(C=CC3=C2OCO3)F)F,JKAGIFIVMUDJAU-UHFFFAOYSA-N
20239F40A8EA5BEC_F7AC4947376EED74_7022_UN,CN(C)CC1=C(C=CC(=C1)NC2=C(C=CC3=C2OCO3)F)F,JKAGIFIVMUDJAU-UHFFFAOYSA-N
20A0A90A38C14CDA_13DC99E1F50CDB5C_6034_DP,NC2=C1C=CC(N(C1=CC=C2)CC45OC3(CNC3)C(C4)(N)C5)=O,JCWGLVMZUCWDDF-UHFFFAOYSA-N
217BB366D8AAC5F4_1DA0372F216BE306_6041_DP,CN(C)CC1=C(C=CC(=C1)NC24CC(OC23CCNCC3)(C)C4)F,IUZOFAWRVMHGBJ-UHFFFAOYSA-N
217BB366D8AAC5F4_906A775BE57112B9_7022_DP,CN(C)CC1=C(C=CC(=C1)NC24CC(OC23CCNCC3)(C)C4)F,IUZOFAWRVMHGBJ-UHFFFAOYSA-N
22FF6ABF9EC1E9DA_1FB0398C52C88C4E_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC[C@H]3C[C@H]3C,PBYDORTWUPCMPZ-MNOVXSKESA-N
2378FD0F23A39C73_AA51D5C8A64A9E6E_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC34CCC(CN)(CC3)CO4,FGYKDZTWZIHAMO-UHFFFAOYSA-N
24BF6523A0617F5E_9F2F244C1D626005_6006_UN,NCCC1=CC(=C(C=C1)C3=CC2=C(C(=CC=C2)F)O3)[N](=O)=O,RESYOQUXKGYOHI-UHFFFAOYSA-N
29403EB8B3FA5927_E1B930EE1EC00334_7022_UN,CN(C)CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C3OCCO3)F,WESUZTSJAWKEMD-UHFFFAOYSA-N
29D9F89958928D1D_5917D79AFE9F9F2A_6034_DP,ClC1=CC2=C(C=C1)C=C[N]2CC45OC3(CNC3)C(C4)(N)C5,KZCZTYWJPCQQBC-UHFFFAOYSA-N
2A477EF84122DDB6_2EF8BF6E0FE7C487_7022_UN,C1(=CC=C(C#N)S1)NC2=CC3=C(C=C2)CN(C)CCN3C,DJNMQTLXAZHFBR-UHFFFAOYSA-N
2A477EF84122DDB6_3EC96FCDC43F3B4A_6041_UN,C1(=CC=C(C#N)S1)NC2=CC3=C(C=C2)CN(C)CCN3C,DJNMQTLXAZHFBR-UHFFFAOYSA-N
2A477EF84122DDB6_76B94F3B1E52ADAD_6041_UN,C1(=CC=C(C#N)S1)NC2=CC3=C(C=C2)CN(C)CCN3C,DJNMQTLXAZHFBR-UHFFFAOYSA-N
2A477EF84122DDB6_DEE1EF4B839173F5_6041_UN,C1(=CC=C(C#N)S1)NC2=CC3=C(C=C2)CN(C)CCN3C,DJNMQTLXAZHFBR-UHFFFAOYSA-N
2B28D53FAFC1C6A6_9B5809AF5DA17E58_6006_UN,NCCC1=CC(=C(C=C1)C2=CC(=C(C=C2)F)F)[N](=O)=O,RBIXSKKICLOAOJ-UHFFFAOYSA-N
2B29106E7027950E_A35768C74E8E35C4_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3OCC(C)(C)OC3,IQDNQIDEHJCCDW-UHFFFAOYSA-N
2BEDAE4F19B502DC_F3E3B1C210AF42B2_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=CC3=C2C=CC=C3,LZQBQDDIMBOZDN-UHFFFAOYSA-N
2CC170A80C750F3B_14B85A8745B51861_6029_UN,N(CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCC3)[S](C4=CN=C(OC)C=C4)(=O)=O,IEYQTDBZLMGNBW-UHFFFAOYSA-N
2E17A3128619E1A3_2B2EA882D7846548_6035_UN,NCC[C@@H]1COC[C@H]1OC2=CC4=C(C=C2)NC3=C(C=CC=C3)C4=O,LSIPUPYXFTYECW-KZULUSFZSA-N
2EFABF5C799906A4_AA7E50667E5CABD4_6039_UN,CON(C)CCC(C)CCOCCN1CC(C(C)C1)C,FOFJRLANNIHIEV-UHFFFAOYSA-N
33F25049F39FB4CB_8920416FBCC6A810_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@@H]4C[C@@H]3CC[C@@H](C3N)C4,MMMNPIZLHAIFSR-VNHJDHJASA-N
343C260E455269D5_89433D12D5F0495B_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=NN=C(OC(C)C)C=C3,HJFXKPJKLROWIR-UHFFFAOYSA-N
348576CF10E2B321_FAB04117C13EA013_6041_UN,FC1=CC2=C(C=C1)[NH]C(=C2)NC[C@@H]3COC[C@H]3N(C)C,XLJHHYKTKJQNJP-BXUZGUMPSA-N
348ACC97FA1B565B_A10F5EDE3E4D038E_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3CC4(NCC3)CC4,IJORMOPJOBZTIK-UHFFFAOYSA-N
3569246D5939C8DE_DAD8E60EE888A9CD_6041_UN,NOCC1=NC(=CC=C1)NC2=C(C=C(OC)C=C2)OC,RCXMNLCSMCXSHH-UHFFFAOYSA-N
3748BAC4BE9B6B91_3FBCA3BD3965C8D5_6041_UN,CN(C)CC1=C(C=CC(=C1)NC2CC3(C2)CCOC3)F,TZLWPXWKYAPYCE-UHFFFAOYSA-N
3748BAC4BE9B6B91_B276E3C9FD7F396A_7022_UN,CN(C)CC1=C(C=CC(=C1)NC2CC3(C2)CCOC3)F,TZLWPXWKYAPYCE-UHFFFAOYSA-N
37A90D652C94F1AE_BE67538A7840723E_6034_UN,NCC1=CN(C2=C1C=C(C=C2)F)CC3CNCCN(C)C3,RQUQSKCOUSHVEB-UHFFFAOYSA-N
37B40057BC656B93_CF06AC710C6358B8_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(OCC(C)C)C=CC(=C3)Cl,BGNOUIHWAOFZQJ-UHFFFAOYSA-N
384FD92EAF4290CE_89A703D3A061D772_6041_UN,CC1=CC(=C(S1)[Si](C)(C)C)NCC2=CC3=C(N=C2)OCO3,SSDKRFJOALNHTJ-UHFFFAOYSA-N
386B40F70CD2BCC6_295CF1AC7D75D152_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(CC)(CC)CC,BRSMCHXNBDAHKH-UHFFFAOYSA-N
3ABA871234141238_6F03C4BD613D1305_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC4=CC3=CC=NC(=C3C=C4)N(C)C,BXQTZWZPDDHDSW-UHFFFAOYSA-N
3B635B67EA29AC82_F76668E443E82E2B_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN5CC3=C(C=CC=C3)C4(CC4)C5,LIYSANDCVIGJES-UHFFFAOYSA-N
3BA93D95011F7457_0AF39E8D4AA9A994_6034_DP,IC2=CC1=C(C=CC=C1)[N]2CC45OC3(CNC3)C(C4)(N)C5,OLGJNBFXYBLFMP-UHFFFAOYSA-N
3C67E1237693DCB2_5C49F13931B6DBC5_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(N)CCOC3,OBGIKVPQAWWGCC-UHFFFAOYSA-N
3D4798D0CBFDD340_2398EF5D68B1699C_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C([N]2CC)C=CC=C3,RLZPBEHGWFMHFC-UHFFFAOYSA-N
3DB2E1BC6E940063_743D11E143B8611D_6041_UN,CN(C)CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)C3OCCO3)F,SWBXVNVHEUBOKI-UHFFFAOYSA-N
3DB2E1BC6E940063_F9F7519587A290A2_7022_UN,CN(C)CC1=C(C=CC(=C1)NCC2=CC=C(C=C2)C3OCCO3)F,SWBXVNVHEUBOKI-UHFFFAOYSA-N
3E23C494A3AF1F0D_D5CC5682AE6664E9_6031_DP,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(CNC3)C#N,NOYDJZKGOUXHCZ-UHFFFAOYSA-N
3EE18DCFB98961DB_8C717C5937618A38_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2Br)NCC3=CC4=C(C=C3)OCC4,ZVPRKNHNEIYRLD-UHFFFAOYSA-N
40E48F5BB8B23FA2_FF2009DA8642E8BD_6029_UN,N(C1=CC2=C(C=C1)C=C(O)C=C2)[S](C4=CC3=C(N=C(OC)C=C3)C=C4)(=O)=O,FBOZRINTGGQHCH-UHFFFAOYSA-N
4180E97A09A74AFF_52203B6070B3FC8A_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC34CC(C3)NC4,DBPPBJKDHCBRRA-UHFFFAOYSA-N
424DEC6B982038FB_6BDAB761D47DB9B9_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CN(C)C)C=CC=C2,WYWCFDSJKYWZEA-UHFFFAOYSA-N
42D81F87310F0EEA_10011CD91B608570_6031_UN,CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC2=C([N](C)N=N2)C=C3,RHCKCYNDYJITIC-UHFFFAOYSA-N
4446F004A61AE956_8E54B86424757B22_6034_UN,NCCC1=CN(C2=C1C=CC=C2Br)CC3CNCCN(C)C3,DVCYPEVEHJWBRB-UHFFFAOYSA-N
4522A3571AB5CB9D_D29E21E388F0DD4D_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=NC4=C([N]3CCCC)C=CC=C4,VACNNNDYLUADCE-UHFFFAOYSA-N
455BC2B054E09F55_F287201F62603CB0_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCCC[S](=O)(=O)O,VVPUKWXQIGABEG-UHFFFAOYSA-N
487B6D215933E209_9C314F47B6FE663A_6026_DP,N1CCC2=C(C=CC=C12)[S](=O)(=O)NCC4=CC3=C(C=C(OC)C=C3)C=C4,SKVKBURVCTVBLG-UHFFFAOYSA-N
49E2591B30E8E3A3_92B289E6FF497C56_7022_UN,C2(=CC1=C(C(=CC=C1)F)O2)NC3=CC=CC4=C3OCCC4N(C)C,ZCZRHIGUHGXLTQ-UHFFFAOYSA-N
49E68AA8FD21E082_C3ACEAD5A115458B_6041_UN,FC2=C1C=CC=NC1=CC=C2N[C@@H]3COC[C@H]3N(C)C,NOHRUWDWXFBYEI-ZIAGYGMSSA-N
4D92FC5E9A0683BD_6009479B6C2492E2_7022_UN,C2(=CC1=C(C(=CC=C1)F)O2)NC3=CC4=C(C=C3)CN(C)CCN4C,CCVWAXITRWSRQO-UHFFFAOYSA-N
4DB19FE0B8746438_9448D695D6485AF1_6003_UN,CCCCC1=CC=C(C=C1)OC2=CC(=CC(=C2[N](=O)=O)F)CC,PXWPMMCLOQHWPD-UHFFFAOYSA-N
4E1F26E9714790A5_E1873D835829E6EE_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(OC)N=CC(=C3)N,VJJJVHATJDVDSF-UHFFFAOYSA-N
4E3B1BF23A614F17_DD1CB08A04FCBB3E_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC=CC(=C3)OC(C)C,YTMDMGXLEMQBQH-UHFFFAOYSA-N
4E87ACB44E071081_345D5DDF1CF2EA37_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC=C[N]3C(F)F,BWDNVXYSFYLCTR-UHFFFAOYSA-N
4F991449B4099705_5F402A4A89A9E843_6031_UN,O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(OCC(C)C)C,XEOATDBGZNQACO-UHFFFAOYSA-N
4FDF298BF4635477_2A496B39D758FCAF_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2OC,CGNPNFYBBGZALE-UHFFFAOYSA-N
4FDF298BF4635477_EBCFB3A2E37FA6AD_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2OC,CGNPNFYBBGZALE-UHFFFAOYSA-N
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rxn:4:173313:223712,CCOC(=O)CCC(=O)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,OUMHAVINXKNREP-UHFFFAOYSA-N
rxn:4:173572:223787,CN1CCN(CCCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2F)CC1,BEISUPGJNUCSSX-UHFFFAOYSA-N
rxn:4:173704:224426,COc1cccc2c(-c3cc(C4CCCCC4)cc(C4CC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,RWOWHSFUBSKLGA-UHFFFAOYSA-N
rxn:4:173704:224849,COc1cccc2c(-c3cc(C4CCCC4)cc(C4CC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,BSRUREHVPSGTJR-UHFFFAOYSA-N
rxn:4:173704:225394,COc1cccc2c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,VUHQCDCEBCIXTE-UHFFFAOYSA-N
rxn:4:173704:225407,COc1cccc2c(-c3ccc(C4CCCCCC4)cc3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,CRJHJNZULOXLIH-UHFFFAOYSA-N
rxn:4:173704:225446,COc1cccc2c(-c3cc(C)cc(OC4CCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,XFNPNJTXARRYAT-UHFFFAOYSA-N
rxn:4:173786:223894,COC(=O)c1c(F)cc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1OCC(F)F,LFYDGSPNZZFVCJ-UHFFFAOYSA-N
rxn:4:173798:224617,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(OCCN2CCCC2)c(Cl)c1,QEGXKDMWHJKZED-UHFFFAOYSA-N
rxn:4:173802:222804,O=S1(=O)CCC(Nc2ccc(-c3ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc3)cc2)CC1,TYYBMNVTOJFOHE-UHFFFAOYSA-N
rxn:4:174243:223636,COC(=O)c1ccc(OCc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(F)c2)cc1,IBAMTLGDCIWFHS-UHFFFAOYSA-N
rxn:4:174375:224022,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,NIHRQIKCORRKKY-UHFFFAOYSA-N
rxn:4:174405:224022,c1cc(CCCOC2CCCCO2)cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1,TUOVIKPZRWANRA-UHFFFAOYSA-N
rxn:4:174528:224878,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccccc1COC1CCCCC1,PTQRXSFFMCYHEQ-UHFFFAOYSA-N
rxn:4:174644:222628,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,QKHVBKPHDUPIFO-UHFFFAOYSA-N
rxn:4:174663:225899,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)n(C(=O)OC(C)(C)C)n1,PGVNXSGEMGTDBA-MCFWJJSXSA-N
rxn:4:174663:226564,COc1cc(OC)c(OC)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,XACLZQAWEPTRJQ-QCTLADKUSA-N
rxn:4:174663:227064,CC(C)(C)Oc1ccccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,RQXOWZFZPSQCLT-IJPSOBMBSA-N
rxn:4:174663:227512,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C)cn1,VGOKIYXWSMONBA-YWDCHRJXSA-N
rxn:4:174663:227523,COC(=O)c1cnc(C)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,WQAHRFSFAGWBGG-WHSGKYKSSA-N
rxn:4:174663:227667,CC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1F,MBBVYDSXYJBHLH-SJHGWESOSA-N
rxn:4:174663:228357,COc1nc(C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C)n1,JVJYIPHWRSJGNN-QQXXBIGFSA-N
rxn:4:174663:229213,C[n+]1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,MVTBOQRMBPOHHV-PDMYYMTQSA-N
rxn:4:174883:223536,CCOC(=O)Cc1cc(F)c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,VTNCPWJEEAXIKD-UHFFFAOYSA-N
rxn:4:174883:223596,CCOC(=O)Cc1cc(F)c(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1F,RVHWEUYUSMSFRO-UHFFFAOYSA-N
rxn:4:175063:223503,CCOc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(C(=O)OC)cc1F,WZEFQCCIWQTUCI-UHFFFAOYSA-N
rxn:4:175083:222522,CCOc1c(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)cc(C(=O)OC)c(F)c1F,QVUVPCHOYQZVGU-UHFFFAOYSA-N
rxn:4:175089:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)cc2C1,PROQYLATEDYMLL-UHFFFAOYSA-N
rxn:4:175341:222604,COC(=O)C(c1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)ccc1F)C1CC1,SPXXPPQGVSLDTP-UHFFFAOYSA-N
rxn:4:175343:223649,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FLQQNJCPSYHEBP-UHFFFAOYSA-N
rxn:4:175981:224754,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1,OWXPLRVGDLYGEL-VWNXMTODSA-N
rxn:4:176103:224396,Cc1cc(-c2cccc(S(=O)(=O)CCC3CCCCC3)c2)ccc1S(=O)(=O)N1CCOCC1,VPNUSQJUZDEOFN-UHFFFAOYSA-N
rxn:4:176119:223532,CC(C)(C)OC(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(-c2ccc(Cl)cc2F)c1,HUDDYHROVWFZDM-UHFFFAOYSA-N
rxn:4:176119:223637,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2F)cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c1,HFLGSLKXMLBQKE-UHFFFAOYSA-N
rxn:4:176325:223539,COC(=O)C(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)co1,AJJLEFMHXJKCJS-UHFFFAOYSA-N
rxn:4:176731:223490,COC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1C(F)(F)F,BWCWGAQPICBZIU-UHFFFAOYSA-N
rxn:4:176930:223507,CCOc1cc(C(F)(F)F)cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1F,XAROQPSDVQYARS-UHFFFAOYSA-N
rxn:4:177079:223834,Cc1cc(-c2ccc(C(F)(F)F)c(OC3CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,PSYYARIJNXMIRA-UHFFFAOYSA-N
rxn:4:177737:223527,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,XQCSLONPBITDRC-UHFFFAOYSA-N
rxn:4:177737:223532,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,CTEPSBSIJASQOS-UHFFFAOYSA-N
rxn:4:177976:223835,Cc1cc(F)c(-c2cc(F)cc(OCC3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,KXSCOVDBQQFXBE-UHFFFAOYSA-N
rxn:4:178358:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-c4ccc(OC5CCCC5)cc4)cc3)cc2)CC1,QLBAGFITTSANSZ-UHFFFAOYSA-N
rxn:4:179319:223530,CC(=O)c1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1Cl,GUDTVAXLFMSTOG-UHFFFAOYSA-N
rxn:4:179653:222747,O=C(NCC1CCCO1)c1ccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc1,RUECUEFCGBLRBJ-UHFFFAOYSA-N
rxn:4:179688:223532,Cc1cc(OC2CC2)ccc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,NNGZEUNEUIAJGV-UHFFFAOYSA-N
rxn:4:180681:224009,COC(=O)C1COc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc2C1=O,SLTASOFSIJZWJH-UHFFFAOYSA-N
rxn:4:180815:225106,CCN(CC)C(=O)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1Cl,OXGKRKWLFPTZHU-UHFFFAOYSA-N
rxn:4:181834:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C4CC(=O)CC(=O)C4)o3)c2)C1,QFLJOQPMYWUKQI-UHFFFAOYSA-N
rxn:4:182090:222394,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)cc2)C(=O)O1,QHUKRERQHREDCW-MEMLXQNLSA-N
rxn:4:182376:223939,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3C2=O)C[C@@H]1C,AKFIFYALURHTPP-GGTLKWSQSA-N
rxn:4:183266:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)C(=O)CC1(CCCCC1)O2,YQMXSHIKQDPJCT-UHFFFAOYSA-N
rxn:4:183272:226721,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(OC)n1,MKNQQCKPUNFYKM-UHFFFAOYSA-N
rxn:4:183273:228529,c1cc2c(cc1-c1ccc3c(c1)OCCOCCOCCOCCOCCOCCO3)CCO2,JMZHVYSFPKZZAU-UHFFFAOYSA-N
rxn:4:183273:229074,CSc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NHCUQZOKYRPVTQ-UHFFFAOYSA-N
rxn:4:183490:224665,CCOC(=O)Cc1c(-c2ccc(F)cc2CN2CCN(C)CC2)cc(C#N)cc1C(F)F,VXRJZYKEOOLNHI-UHFFFAOYSA-N
rxn:4:183556:222631,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,AEACRCFGNNSAFT-UHFFFAOYSA-N
rxn:4:183590:223572,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12,MJCMUTSXELJBGL-UHFFFAOYSA-N
rxn:4:183600:225361,CS(=O)(=O)CCCOc1ncc(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1C(F)(F)F,URNUAZYUTFIVEM-UHFFFAOYSA-N
rxn:4:183702:222588,COC(=O)c1cc(OCc2ccccc2)c(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-],SUACOFCTEOFVGP-UHFFFAOYSA-N
rxn:4:183760:222522,COCCOc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)ccc1C(=O)N1CCCC1,IWVDGYSHZQZSDV-UHFFFAOYSA-N
rxn:4:183760:224251,COCCOc1cc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)ccc1C(=O)N1CCCC1,RCQBVGCVHCEBDZ-UHFFFAOYSA-N
rxn:4:183770:223239,O=C(COc1cc(OC(F)(F)F)ccc1-c1cncc(C2CCCN2)c1)N1CCCCC1,FVUPQNIZRZTFJB-UHFFFAOYSA-N
rxn:4:183802:222741,CN(Cc1cc(C(F)(F)F)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1)C(=O)OC(C)(C)C,RXMLLKMKVQBZCK-UHFFFAOYSA-N
rxn:4:183808:222589,OC1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)cc2Cl)CC1,RNOMOXLMYVKASN-UHFFFAOYSA-N
rxn:4:183863:224589,COC(=O)CN1CCCC(COc2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2)C1,QOMRQUNAWMROQC-UHFFFAOYSA-N
rxn:4:183864:225348,COC(=O)CN1CCCC(COc2cccc(-c3cc(C(F)(F)F)ccc3C(=O)OC)c2)C1,SUATVHZIJOVLMJ-UHFFFAOYSA-N
rxn:4:183865:225128,COC(=O)CN1CCCC(COc2ccccc2-c2cc(C3(C(=O)OC)CC3)ccc2F)C1,BDZNKIMRLUSTTD-UHFFFAOYSA-N
rxn:4:183878:223480,Cc1cc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AXDBZXBBXYZRDU-UHFFFAOYSA-N
rxn:4:183878:223492,Cc1cc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JWCIYXSTNBMEDI-UHFFFAOYSA-N
rxn:4:183882:222929,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)C1,RNMSTEJIGGRZFE-UHFFFAOYSA-N
rxn:4:183882:223683,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)C1,IFVFDUSXGMHMCY-UHFFFAOYSA-N
rxn:4:183882:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cn2)CC1,MLVIVVRHPBBQRY-UHFFFAOYSA-N
rxn:4:183888:222612,CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)ccc1OC,WGZSRGLOYPLVOH-UHFFFAOYSA-N
rxn:4:183915:225754,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCC(C)CC2)c(C2CC2)cn1,AKPVYRYRPZZCLB-UHFFFAOYSA-N
rxn:4:183943:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,SNLUOLCWGDGNRO-UHFFFAOYSA-N
rxn:4:183959:223084,Cc1cc(-c2cnc(N3CCC(O)CC3)nc2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,GALMCTIRJZXSCE-UHFFFAOYSA-N
rxn:4:183959:223904,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,LKNHWPUQZJMIJJ-UHFFFAOYSA-N
rxn:4:183959:223932,Cc1cc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,HIWZNABTGRXJKL-UHFFFAOYSA-N
rxn:4:183965:224182,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(OCCN3CCOCC3)c(C)c2)c1,UPWBXYMQVCJFMK-UHFFFAOYSA-N
rxn:4:183966:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,DQLNXSUOAZPXBL-UHFFFAOYSA-N
rxn:4:183966:223040,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccc(C(=O)NC4CC4)c(F)c3)c2)C1,HLSUVNSVZOYEQC-UHFFFAOYSA-N
rxn:4:183968:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,YAGVJPQZASMGCM-UHFFFAOYSA-N
rxn:4:184017:223646,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,MHEPCKAFDURTSK-UHFFFAOYSA-N
rxn:4:184018:225665,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(Cl)cc2N2CCCCC2)CC1,SMPQVLHGOUFPBV-UHFFFAOYSA-N
rxn:4:184026:223883,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2Cl)C1,QPEGRRSBFUABJA-UHFFFAOYSA-N
rxn:4:184029:223754,CC1CCN(CCCOc2ccc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3F)cc2Cl)CC1,KDEZXZSERGNBDA-UHFFFAOYSA-N
rxn:4:184092:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)CC1,OZJTZRMHMFJQGQ-UHFFFAOYSA-N
rxn:4:184095:224134,Cc1cc(OCc2ccc(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO[Si](C)(C)C(C)(C)C)cc3)cc2)ccc1Cl,AIUPUTTXTCTHHX-HHHXNRCGSA-N
rxn:4:184187:225218,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)ccc2S1(=O)=O,NDNWNWGRAWFDKK-UHFFFAOYSA-N
rxn:4:184195:223534,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1,ZPIQPSVBYOXTSJ-UHFFFAOYSA-N
rxn:4:184216:224273,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c3ccccc3c2)CC1,CQFVSJQIGSSLFB-UHFFFAOYSA-N
rxn:4:184227:229246,Cc1ncc(-c2ccc(C(=O)COC(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)cc2)n1C,SDPMMIPAXCKERB-UHFFFAOYSA-N
rxn:4:184324:223592,COCCOc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc([N+](=O)[O-])c1,REPHRCUBNVKVTL-UHFFFAOYSA-N
rxn:4:184420:224081,CCOC(=O)c1cc(C(F)F)c(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)cc1C#N,BPCADRKVWATBQW-UHFFFAOYSA-N
rxn:4:184451:224830,COC(=O)Cc1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)c1C#N,FQJIPXCSSJXBMD-UHFFFAOYSA-N
rxn:4:184561:223576,CCOC(=O)c1cc(C#N)c(OC)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,STIWDOFDDBNFBL-UHFFFAOYSA-N
rxn:4:184659:222605,COC(=O)c1cnc(OCC2CC2)c(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)c1,DABFJVDDLLKDBR-UHFFFAOYSA-N
rxn:4:184659:223970,COC(=O)c1cnc(OCC2CC2)c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,OFGGFIUCLZLNNF-UHFFFAOYSA-N
rxn:4:184708:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OCC(=O)OC(C)(C)C)cn1,PFJNHZGIQODIFW-UHFFFAOYSA-N
rxn:4:184765:224355,COC(=O)c1c(-c2ccc(N3CCC4(CC3)OCCO4)nc2)ccn1C(=O)OC(C)(C)C,DFMHYJQTLZBBEA-UHFFFAOYSA-N
rxn:4:184954:224247,CC1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3OCCCN3CCOCC3)c(F)c2)CC1,XXCPAQUEOIXMHZ-UHFFFAOYSA-N
rxn:4:185027:222929,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)C1,WSOIMYLMHPXLPW-UHFFFAOYSA-N
rxn:4:185145:225683,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCOC4)nc3C)cc2)C1,UABYVHVHWZAQKX-UHFFFAOYSA-N
rxn:4:185149:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,SSIOPHPZXXZFAN-UHFFFAOYSA-N
rxn:4:185149:223934,CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2cccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)C1,GYCSNPMYAZLOEW-UHFFFAOYSA-N
rxn:4:185205:223505,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,NXQIJWIXSBNVRV-UHFFFAOYSA-N
rxn:4:185208:224160,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2F)C1,FZPREOSLEHTXDY-UHFFFAOYSA-N
rxn:4:185255:225009,COc1ccccc1C(=O)N(c1ccc(-c2cc(C)cnc2OC2CCCCC2)cc1)C1C=CS(=O)(=O)C1,YIJCXLJJADPEGM-UHFFFAOYSA-N
rxn:4:185260:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)C2)cc1,UQACAHVEXVOHNV-UHFFFAOYSA-N
rxn:4:185307:223839,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,IMZHWCSFVYBRSQ-UHFFFAOYSA-N
rxn:4:185314:225829,CC1CCN(c2ncc(-c3cccc(OC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,KOBNWSFIKCUUEK-UHFFFAOYSA-N
rxn:4:185314:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(OC2CCCN(C(=O)OC(C)(C)C)C2)c1,BGJLKVFEWGDAGG-UHFFFAOYSA-N
rxn:4:185324:224161,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)CC1,UVVGWMFKRRPFCH-UHFFFAOYSA-N
rxn:4:185352:223528,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XEVUIKXQZBDQCT-UHFFFAOYSA-N
rxn:4:185352:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,WNPCSFUZZOLKBC-UHFFFAOYSA-N
rxn:4:185352:226897,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(OCC(F)(F)F)nc3)cc2)CC1,RWTWVJKHWLBUSS-UHFFFAOYSA-N
rxn:4:185354:223648,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,NVKBOAQHRCCEGP-UHFFFAOYSA-N
rxn:4:185371:223888,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2)CC1,JDPZRMUFNLKONO-UHFFFAOYSA-N
rxn:4:185371:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1Cl,WRBVKFCGQULVMB-UHFFFAOYSA-N
rxn:4:185371:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,VZJZZDKHNLATDO-UHFFFAOYSA-N
rxn:4:185383:223573,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc(C(F)(F)F)c2)CC1,YUQJSFGZCPEBAY-UHFFFAOYSA-N
rxn:4:185383:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,TYJAPTIPHKCPCV-UHFFFAOYSA-N
rxn:4:185384:223581,COC(=O)c1cccc2cc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)n(C(=O)OC(C)(C)C)c12,VEWHIZKIBNWHHT-UHFFFAOYSA-N
rxn:4:185386:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)cn2)CC1,XJAYLZCFTCTTLJ-UHFFFAOYSA-N
rxn:4:185405:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C4CC4)ccc3C3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,KTLORLHVDOIQRW-UHFFFAOYSA-N
rxn:4:185408:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)C1,OFZLEGBKFHJKIM-UHFFFAOYSA-N
rxn:4:185411:223975,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc2C2CC2)C1,ITKMHOVCXCUYDX-UHFFFAOYSA-N
rxn:4:185413:224157,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12,TUOBRTYGUCUKHA-UHFFFAOYSA-N
rxn:4:185414:224986,Cc1cc(Cl)cc(-c2ccc(N3CCCCC3)cc2C#N)c1OC1CCN(C(=O)OC(C)(C)C)CC1,WDJSFGARVPGRGA-UHFFFAOYSA-N
rxn:4:185414:226729,Cc1cc(Cl)cc(-c2cnc(OC3CCOC3)nc2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,JMSNSSWNEOPIPD-UHFFFAOYSA-N
rxn:4:185415:225188,O=C(CC1CCCCC1)N(c1ccc(-c2ccc(Cl)c(CN3CCOCC3)c2)cc1)C1C=CS(=O)(=O)C1,CQFLXQVUBXSXRC-UHFFFAOYSA-N
rxn:4:185421:223578,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c(C3CC3)c2)C1,GCPQVZFYTXDXCP-UHFFFAOYSA-N
rxn:4:185421:227991,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(Cl)cc3C3CC3)c(C3CC3)c2)C1,OORHDCZDLRWKLJ-UHFFFAOYSA-N
rxn:4:185423:223492,Cc1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YHBWCLKEGPOCGX-UHFFFAOYSA-N
rxn:4:185423:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,MITPUGCSSLBHPU-UHFFFAOYSA-N
rxn:4:185438:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,JBCXKPICNFBYNU-UHFFFAOYSA-N
rxn:4:185439:228758,CSc1ncc(C)cc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,FFSNSOQIKHROSI-UHFFFAOYSA-N
rxn:4:185442:223532,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2COC2)c1,DCUWAGPGFFWCMA-UHFFFAOYSA-N
rxn:4:185571:225987,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)o1)C1CCS(=O)(=O)C1,CAUYTISSTTXVFE-UHFFFAOYSA-N
rxn:4:185940:223606,CCOC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cn1,KACNZGLGIYCJLA-UHFFFAOYSA-N
rxn:4:186244:223696,CCOC(=O)c1sc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)nc1C(C)C,QNULBYJAAPWXCY-UHFFFAOYSA-N
rxn:4:186462:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc([N+](=O)[O-])c(OCC2CCC2)c1,BUGDRRBTOWGAEF-UHFFFAOYSA-N
rxn:4:186966:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(CN3CCCC3)c(C(=O)OC)c2)c1,QZDDRDWITLLLKE-UHFFFAOYSA-N
rxn:4:186990:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)CC(=O)N2CCOCC2)cc1,KPBGUYGVMPALLR-UHFFFAOYSA-N
rxn:4:187011:222730,CCCc1cc(-c2ccc(CN3CC[C@H](OS(C)(=O)=O)C3=O)c(F)c2)cc(C2CCNCC2)n1,QRASPLSEHVPWRJ-DEOSSOPVSA-N
rxn:4:187011:224329,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cc2F)C1=O,IQRJCVJJLZNDDG-QFIPXVFZSA-N
rxn:4:187108:223785,CCN1CCN(CCOc2ccc(-c3cc(C)ccc3OCCN3CCOCC3)cc2Cl)CC1,FEOCSAHYBDHXSB-UHFFFAOYSA-N
rxn:4:187118:225898,COC(=O)CN1CCC(c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)CC1=O,PZPDWZGLXVOFEE-UHFFFAOYSA-N
rxn:4:187122:224817,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1S(=O)(=O)N1CCOCC1,MIMYSWIBGGKZRW-UHFFFAOYSA-N
rxn:4:187204:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cc2C1,SLYXVDAHNSKJIA-UHFFFAOYSA-N
rxn:4:187250:224691,COC(=O)c1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)c(CN2CCCC(F)(F)C2)c1,HGJPODNYGCZOBM-UHFFFAOYSA-N
rxn:4:187267:223239,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1cncc(C2CCCN2)c1,JHLHJQQDGRDCGF-UHFFFAOYSA-N
rxn:4:187300:223831,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,NKWGRLVRMBSIEP-UHFFFAOYSA-N
rxn:4:187311:223892,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2ccc(OCCCN3CCN(C)CC3)cc2)C1,XPZIVUZWQYMSOL-UHFFFAOYSA-N
rxn:4:187374:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)c2)CC1,WBVRARAVBCMIGI-UHFFFAOYSA-N
rxn:4:187406:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(OCC(=O)N2CCC(C)CC2)c(C)c1,BVVIXKKKDHOJIF-UHFFFAOYSA-N
rxn:4:187415:223530,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1,XZPOHPILYIQJEQ-UHFFFAOYSA-N
rxn:4:187421:223520,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,FGWDPFZAIHZQKE-UHFFFAOYSA-N
rxn:4:187461:223590,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc2)cc1,DBKKZIJVNXNQMH-UHFFFAOYSA-N
rxn:4:187488:222645,CCOc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,RUTAVNLOFBHFSC-UHFFFAOYSA-N
rxn:4:187488:224775,CCOc1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,JNOYFRZQNGBFDP-UHFFFAOYSA-N
rxn:4:187488:225975,CCOc1ccc(-c2ccnc(N3CCOCC3)c2Cl)cc1S(=O)(=O)N1CCC(C)CC1,ZOXGPPGVJBGQBX-UHFFFAOYSA-N
rxn:4:187489:222986,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(C)nc(C2CCCNC2)c1,PSZMQSOIKOOJFT-UHFFFAOYSA-N
rxn:4:187493:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccccc3C3CN(C(=O)OC(C)(C)C)CCO3)c2C1,DQISKPWEQLGYJW-UHFFFAOYSA-N
rxn:4:187494:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)c2F)C1,XPDVYESPRJTUEE-UHFFFAOYSA-N
rxn:4:187573:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,JACMNFOZZAVXNA-UHFFFAOYSA-N
rxn:4:187573:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NJLNGBOZNLXMNJ-UHFFFAOYSA-N
rxn:4:187573:225232,CC1CCN(c2cc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,PTDZGKGQFRUTHR-UHFFFAOYSA-N
rxn:4:187575:223880,Cc1ccc2c(c1)cc(-c1cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,UDVSCRCPEDESOU-UHFFFAOYSA-N
rxn:4:187578:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)ccc1C1CCN(C(=O)OC(C)(C)C)C1,ZJFRPWMTEPQPPR-UHFFFAOYSA-N
rxn:4:187579:223935,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)c1,CGWVBYKMZXQHFI-UHFFFAOYSA-N
rxn:4:187581:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1coc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,BQHQHBRAYOEFDQ-UHFFFAOYSA-N
rxn:4:187582:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(Cl)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,ZAFYEFPGJTYKJH-UHFFFAOYSA-N
rxn:4:187586:224653,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2Cl)C1,MJGOLFGNXSMHSD-UHFFFAOYSA-N
rxn:4:187587:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1,GKFCWVWIZYWDNH-UHFFFAOYSA-N
rxn:4:187589:223888,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)C1,ZWVCHUXARWKLEV-UHFFFAOYSA-N
rxn:4:187592:222929,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)CC1,LZNHXZGWMDNSRP-UHFFFAOYSA-N
rxn:4:187592:226295,CC(C)OCc1ccc(F)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,PJUFGPFEDZVKFY-UHFFFAOYSA-N
rxn:4:187593:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,LAOAPKLRNKSXAX-UHFFFAOYSA-N
rxn:4:187596:223556,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)ccc2F)CC1,YAVNVQAPDMQVJW-UHFFFAOYSA-N
rxn:4:187596:224653,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccc2F)CC1,LPEHZVWTXWCFCK-UHFFFAOYSA-N
rxn:4:187622:224619,CC1CCN(Cc2ccc(OC(C)C)c(-c3ccc(OCCN4CCCC4)c(F)c3)c2)CC1,WRIKXHDTZIFLIQ-UHFFFAOYSA-N
rxn:4:187625:225223,CC1CCN(Cc2c(OC(C)C)cccc2-c2cnc(N3CCC(C)CC3)cc2F)CC1,FJVFSTUENIKOPV-UHFFFAOYSA-N
rxn:4:187626:222524,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1S(=O)(=O)N1CC(C)CC(C)C1,NHBWUPUWHYQFII-UHFFFAOYSA-N
rxn:4:187659:226047,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3F)cc2)CC1,ZTKFBQIVSOFNSU-UHFFFAOYSA-N
rxn:4:187670:223520,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,JZCZEGXWZXQJIY-UHFFFAOYSA-N
rxn:4:187673:224624,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)c1,DOUOGSFUVXDWMW-UHFFFAOYSA-N
rxn:4:187673:225741,CCCCOc1c(F)cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1Cl,ATGNESUEISCGDS-UHFFFAOYSA-N
rxn:4:187681:223929,Cc1cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,ISUMJMAMGUBQMZ-UHFFFAOYSA-N
rxn:4:187822:223480,Cc1cc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UKXPNDGYXWHLFV-UHFFFAOYSA-N
rxn:4:187822:223823,CC(C)(C)OC(=O)CN1Cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C1=O,GCWVAXHLQVRQTH-UHFFFAOYSA-N
rxn:4:188464:223696,COC(=O)c1cc(F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],ANSKOBICWYUCIY-UHFFFAOYSA-N
rxn:4:188928:223648,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=N)(=O)C(F)(F)F,OGPCQBCQIZJIFU-UHFFFAOYSA-N
rxn:4:189209:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(Cl)cc(C(=O)ON2C(=O)CCC2=O)c1,SMDFOABQMSTDIY-UHFFFAOYSA-N
rxn:4:189217:222540,O=C(NCCN1CCCCC1)c1cccc(-c2c(F)cccc2C(=O)ON2C(=O)CCC2=O)c1,QPWVEPBNXOZRMK-UHFFFAOYSA-N
rxn:4:189600:224760,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,MEGOMYFNTWMDAB-UHFFFAOYSA-N
rxn:4:189603:224755,Cc1cccc(-c2cc(C(=O)N3CCOCC3)ccc2F)c1C(=O)ON1C(=O)CCC1=O,CBQMEPINAUCJGL-UHFFFAOYSA-N
rxn:4:189702:223695,CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)o2)C1,DBCMMSOHGNQURZ-UHFFFAOYSA-N
rxn:4:189766:224290,O=C(c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c(C(F)(F)F)c1)N1CCC(F)(F)C1,DYWRDWXSVDOBEZ-UHFFFAOYSA-N
rxn:4:189846:224760,O=C(CN1C(=O)CCCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,IEFYDMVKSVBAIJ-UHFFFAOYSA-N
rxn:4:189847:223598,CC(=O)N(c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1)C1C=CS(=O)(=O)C1,ZCTQNWNQHGHGCJ-UHFFFAOYSA-N
rxn:4:189847:224251,CC(=O)N(c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)cc1)C1C=CS(=O)(=O)C1,VGXMASLAQZNQOC-UHFFFAOYSA-N
rxn:4:189847:224686,CC(=O)N(c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1)C1C=CS(=O)(=O)C1,HYBMEBUDOBPLPV-UHFFFAOYSA-N
rxn:4:189849:224819,CC(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1C(=O)CCC1=O,XHARMEYNJVQZPN-UHFFFAOYSA-N
rxn:4:189866:225089,CCCCCOc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c(F)c1F,ZNSWDBLFHRAIBK-UHFFFAOYSA-N
rxn:4:189943:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2CS(=O)(=O)N2CCOCC2)CC1,JRTXEJCYMWVHHZ-UHFFFAOYSA-N
rxn:4:190016:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c2)CC1,SAWVZCDVWYYCTF-UHFFFAOYSA-N
rxn:4:190016:224375,COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1,SWZVQZIOJPVHID-UHFFFAOYSA-N
rxn:4:190106:224375,COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1C(=O)N1CCCCC1,TYPXSHRDQPTYNY-UHFFFAOYSA-N
rxn:4:190136:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(C4CCN(CC(F)(F)F)CC4)cc3)cc2C1,GVUABBRPZJNBFL-UHFFFAOYSA-N
rxn:4:190165:225952,Cc1nc(N2CCOCC2)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,PAJZEJWUUDTLIZ-UHFFFAOYSA-N
rxn:4:190166:225829,CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,FDIURSRVIOLJRA-UHFFFAOYSA-N
rxn:4:190196:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN(C)C2CCOCC2)c(Cl)c1,CTEOSWZVTFHZQM-UHFFFAOYSA-N
rxn:4:190216:224375,COc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1,BRUHTNKXYSDEGV-UHFFFAOYSA-N
rxn:4:190271:222522,COc1ccc(-c2cc(F)ccc2CC(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCC(O)CC1,JVKTYAVYQZMIOW-UHFFFAOYSA-N
rxn:4:190364:223951,COc1ccc(CN2CCC(C)CC2)cc1-c1ccc(OCCN2CCN(C)CC2)c(F)c1,HWBKEWPEKDIEET-UHFFFAOYSA-N
rxn:4:190377:224883,COc1ccc(-c2ccc(C(C)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,BKVJKXXRDWMMSB-UHFFFAOYSA-N
rxn:4:190381:222718,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)C1,SNCIUZPBAHISTI-UHFFFAOYSA-N
rxn:4:190408:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2[N+](=O)[O-])CC1,HDBQADDTIZDNRC-UHFFFAOYSA-N
rxn:4:190470:223945,CC(C)(C)c1cc(CN2CCCCC2)cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1,TVNHDJHWZXLBLV-UHFFFAOYSA-N
rxn:4:190481:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3-c3cccc(C(=O)N4CCC(C)CC4)c3)cc2F)CC1,POLNGGHWZSRDTE-UHFFFAOYSA-N
rxn:4:190497:222741,CC1CCCN(Cc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc(C(C)(C)C)c2)C1,POSXLPUFCWONMV-UHFFFAOYSA-N
rxn:4:190823:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cc2C1,FGHUNUSZCBJGAK-UHFFFAOYSA-N
rxn:4:190850:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2Cl)CC1,BFYDFBDCHRVYGY-UHFFFAOYSA-N
rxn:4:190926:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)c2)CC1,KOQRMZOXUQWRLY-UHFFFAOYSA-N
rxn:4:191031:223883,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2CC1,PKQXDJZNTGFWHI-UHFFFAOYSA-N
rxn:4:191103:222957,Cc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CCCNC2)c1,ZRSWZZORXKZDPO-UHFFFAOYSA-N
rxn:4:191104:222596,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)cc12,NWITYUXZTLJIBV-UHFFFAOYSA-N
rxn:4:191104:225227,CC1CCN(c2ncc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)cc2Cl)CC1,QBBCRLXRSXYLAG-UHFFFAOYSA-N
rxn:4:191115:224290,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc1O2,WDRMCRZEPIVWTN-UHFFFAOYSA-N
rxn:4:191116:223121,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NC4CC4)cc3)ccc12,LVJSIJNGESUGQL-UHFFFAOYSA-N
rxn:4:191116:223750,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc4cccnc4c3O[Si](C)(C)C(C)(C)C)ccc12,GVHIBBVDFNFTNA-UHFFFAOYSA-N
rxn:4:191119:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C3)cn2C(=O)OC(C)(C)C,PJPRVPBULYVYHC-UHFFFAOYSA-N
rxn:4:191120:222947,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cnc(N4CCCC(O)C4)nc3Cl)cc1C2=O,PHEQLIGLCSYCGS-UHFFFAOYSA-N
rxn:4:191120:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)c2)CC1,HZDMKTWCYNEUOB-UHFFFAOYSA-N
rxn:4:191120:225592,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cc(F)ccc3CN3CCCC3)cc1C2=O,YPLRPYXLTTUBOP-UHFFFAOYSA-N
rxn:4:191125:223578,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)ccc32)CC1,SBIUHPOKYFONKP-UHFFFAOYSA-N
rxn:4:191125:226729,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(OC5CCOC5)nc4)ccc32)CC1,ZPPIJVPXTSZUOX-UHFFFAOYSA-N
rxn:4:191127:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)c(F)c2)CC1,IAGYIHLNOBEWTF-UHFFFAOYSA-N
rxn:4:192732:223696,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)o1)N1CCOCC1,DYHUDANQAUOVKM-UHFFFAOYSA-N
rxn:4:193001:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(OC4CCOCC4)n3)ccc2F)CC1,JCRDNXYWKYOHEG-UHFFFAOYSA-N
rxn:4:193001:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(OC4CCOCC4)n3)cn2)CC1,VYAMTJIIGFNHLK-UHFFFAOYSA-N
rxn:4:193125:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(N4CCCC4=O)cc3C(F)(F)F)cc2C1,JETGRYOAJUVQDC-UHFFFAOYSA-N
rxn:4:193125:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(N4CCCC4=O)cc3C(F)(F)F)cnc2C1,NDDUPSUZDPIPIU-UHFFFAOYSA-N
rxn:4:193627:222795,O=C(Nc1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1)N1CCOCC1,DRCOPUUVLKLREG-UHFFFAOYSA-N
rxn:4:193627:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1,TVCMJSUSZOALPC-UHFFFAOYSA-N
rxn:4:193684:223592,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc(CN2CCOCC2)c1F,MMNVAFNCHLIJSB-UHFFFAOYSA-N
rxn:4:193685:223696,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1S(=O)(=O)N1CCOCC1,XETJZDBWROHEKG-UHFFFAOYSA-N
rxn:4:193685:223834,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)ccc1S(=O)(=O)N1CCOCC1,BXZYOKABEUQHJR-UHFFFAOYSA-N
rxn:4:193693:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,RBNDLUWRPBDJGI-UHFFFAOYSA-N
rxn:4:193810:223954,CC1CCN(Cc2cccc(F)c2-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)CC1,HUUBMMOBZXTNDC-UHFFFAOYSA-N
rxn:4:193973:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)CC1,QBLFLHVDVGLNSO-UHFFFAOYSA-N
rxn:4:193973:225993,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],FLXSREUSIXIVFI-UHFFFAOYSA-N
rxn:4:193990:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCC(=C3CCC3)CC2)cc1,ITXNXDOFKXYLCP-UHFFFAOYSA-N
rxn:4:193999:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCC(C)CC1,SZALYHSIRNJOLC-UHFFFAOYSA-N
rxn:4:194001:223695,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,IOOHHYRZXVFGTG-UHFFFAOYSA-N
rxn:4:194712:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)cc2F)CC1,RSYSZCQBMZQVJG-UHFFFAOYSA-N
rxn:4:194736:224394,Cc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC(C)C4)cc3c2)cc1S(=O)(=O)N1CCOCC1,IYYDTROQOOMPLV-UHFFFAOYSA-N
rxn:4:194737:225361,O=c1oc2ccc(-c3cn(C4CCCC4)nc3C(F)(F)F)cc2cc1S(=O)(=O)N1CCCCCC1,WQSCMZYPLUOGIW-UHFFFAOYSA-N
rxn:4:194741:222522,COc1ccc(-c2cc(F)ccc2N2Cc3cccc(OC)c3OC(C)C2=O)cc1S(=O)(=O)N1CCC(O)CC1,ZTUGZHJSHPYSTH-UHFFFAOYSA-N
rxn:4:194799:223279,Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(-c4cnc(C5CCCN5)nc4)cc3)C(=O)C12,RXIYUQJTZKKOJV-UHFFFAOYSA-N
rxn:4:194810:224352,COC(=O)C1=C2CCCN2c2cc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,JXILOSJGIALLJW-UHFFFAOYSA-N
rxn:4:194810:225326,CCOC(=O)c1ccc(-c2ccc3c(c2)N2CCCC2=C(C(=O)OC)S3(=O)=O)c([N+](=O)[O-])c1,PCWWKJPOVHSOQP-UHFFFAOYSA-N
rxn:4:197490:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C34CC(C3)C4)nc2)CC1,LDVGONNMIAJGCI-UHFFFAOYSA-N
rxn:4:197857:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cncc(C5CCOC5)c4c3)cc2[N+](=O)[O-])CC1,DLRWUQPYMIBQSJ-UHFFFAOYSA-N
rxn:4:197978:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)CCCC2N1CCCC(F)(F)C1,CQERGVLIAZQRGW-UHFFFAOYSA-N
rxn:4:198013:224720,CC(=O)C1=C2CCCN2c2cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)ccc2S1(=O)=O,GTRXULGRGDIQGL-UHFFFAOYSA-N
rxn:4:198015:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1,YTHIUAUEAMSGMZ-UHFFFAOYSA-N
rxn:4:198015:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)c1,WEFFVDYZTSDAQB-UHFFFAOYSA-N
rxn:4:199453:224589,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(F)cc2CN2CCC(C)CC2)c1[N+](=O)[O-],XABZAFFCLQHIPG-UHFFFAOYSA-N
rxn:4:199486:223944,CCOC(=O)Cn1nc(C(F)F)c(-c2c(C)c(Cl)cc3c2cnn3C2CCCCO2)c1C1CC1,NMXMZSWNKTYJMT-UHFFFAOYSA-N
rxn:4:199577:223787,CN1CCN(CCCOc2ccc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCN(C)CC3)cc2F)CC1,OULLTQLXCZEDHI-UHFFFAOYSA-N
rxn:4:199597:223279,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc(C3CCCN3)nc2)CC1,FHUMNWQCPLSAQH-UHFFFAOYSA-N
rxn:4:199645:225561,CC(C)(C)OC(=O)c1ccccc1-c1cccc(OCC2CCCN2C(=O)OC(C)(C)C)n1,YTSHNOFOYRRTES-UHFFFAOYSA-N
rxn:4:199649:224268,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1,GIRQGXOUQSDDLO-UHFFFAOYSA-N
rxn:4:199652:226567,COC(=O)C(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])cc1,GHSQHTBMSNLPAV-UHFFFAOYSA-N
rxn:4:199693:223504,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,UJEBISSKYMPCKU-UHFFFAOYSA-N
rxn:4:199707:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(SCC4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,CZUNZKJWVOQVRB-UHFFFAOYSA-N
rxn:4:199709:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,SBIXMGQMXNTDJA-UHFFFAOYSA-N
rxn:4:199709:223574,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,LVGOOZDRDOFUOA-UHFFFAOYSA-N
rxn:4:199709:223773,COc1cccc2cc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)n3)n(C(=O)OC(C)(C)C)c12,ULQLQWKHGRUSCN-UHFFFAOYSA-N
rxn:4:199709:224270,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)n2)CC1,WZUPEMBZFBKJGP-UHFFFAOYSA-N
rxn:4:199714:225911,COC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(Cl)cc1OC,LBOUSODXNLOWON-UHFFFAOYSA-N
rxn:4:199716:225294,CCN1CCN(c2ncc(-c3cccnc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,FPNAATBELIOBQT-UHFFFAOYSA-N
rxn:4:199726:223596,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc(C#N)c2F)CC1,YLWVULVBJTYRSS-UHFFFAOYSA-N
rxn:4:199741:223788,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,GEGLHKPMSFWLHH-UHFFFAOYSA-N
rxn:4:199760:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3N3CCN(C(=O)OCC[Si](C)(C)C)CC3)cn2)CC1,IEOKMPLJJQDFAW-UHFFFAOYSA-N
rxn:4:199764:223931,COC(=O)c1cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,OALOWCFAGKXPCP-UHFFFAOYSA-N
rxn:4:199766:222432,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)CC1,QDNSNKUVVRCIHJ-UHFFFAOYSA-N
rxn:4:199769:226511,COc1cc(Cl)c(-c2cc(Cl)cnc2OCC2CC2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PHASFFPOORKSER-UHFFFAOYSA-N
rxn:4:199769:226736,COc1cc(Cl)c(-c2ccc(C(F)(F)F)cc2C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UATULDJWELNTQR-UHFFFAOYSA-N
rxn:4:199770:223753,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,MODCMBAPDFHUGG-UHFFFAOYSA-N
rxn:4:199784:225911,COC(=O)c1cc(-c2ccc(OC)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1OC,JCQQDQFPLCHLDI-UHFFFAOYSA-N
rxn:4:199787:223935,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],SUVQSGWZKMLWHD-UHFFFAOYSA-N
rxn:4:199787:227917,CCc1ccc(OC)c(-c2cc([N+](=O)[O-])c(C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1,WUDBKGFOIQDUHJ-UHFFFAOYSA-N
rxn:4:199790:223492,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GPIMWFKZCPSHJS-UHFFFAOYSA-N
rxn:4:199810:223777,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,HEHWLGRKTXGJDA-UHFFFAOYSA-N
rxn:4:199810:224269,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cn(C(=O)OC(C)(C)C)c2cnccc12,QXCJRXKFWHZSOU-UHFFFAOYSA-N
rxn:4:199813:224356,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cc2sc(Cl)cc2n1C(=O)OC(C)(C)C,UMIVZKGVHOIAEK-UHFFFAOYSA-N
rxn:4:199813:228214,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cnc(C2CC2)cc1F,DVMYPVCUWNYUCC-UHFFFAOYSA-N
rxn:4:199817:224376,CCCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,JDZSECAVEYQIOK-UHFFFAOYSA-N
rxn:4:199830:224161,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1Cl,VGDCRYDHQYDBGK-UHFFFAOYSA-N
rxn:4:199835:225877,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(Cl)cc2N2CCOCC2)c1,FOLDZUWVJZSGNS-UHFFFAOYSA-N
rxn:4:199840:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CCCN4C(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)cc21,LKSLXHSGCZHJPR-UHFFFAOYSA-N
rxn:4:199840:224653,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2)C1,VIAFJAWWZATJEA-UHFFFAOYSA-N
rxn:4:199869:222960,CCCOc1ccc(-c2cc(C)cc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,KEAIIDQJTSRAQI-UHFFFAOYSA-N
rxn:4:199870:222621,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,JNBGXSMUYDQJEV-UHFFFAOYSA-N
rxn:4:200151:223695,CCOC(=O)CCc1cnc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,FFKLDHWGXFZWJG-UHFFFAOYSA-N
rxn:4:200353:222891,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1cc(OC)nc(C2CCNCC2)c1,NRZKQSZMKGCDHD-UHFFFAOYSA-N
rxn:4:200366:223939,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(C#N)c2)C1,JONHGVWCCJBPMB-UHFFFAOYSA-N
rxn:4:200369:225947,CN1CCN(c2ncc(-c3cc(C#N)ccc3C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,MCGKXBXWPFIDLU-UHFFFAOYSA-N
rxn:4:200370:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,NZUVCEHVKGOSJR-UHFFFAOYSA-N
rxn:4:200370:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,WTOBHWCFOKSMEB-UHFFFAOYSA-N
rxn:4:200371:223490,Cc1ccc(-c2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZORRQVGZHMJBOS-UHFFFAOYSA-N
rxn:4:200384:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1CCC(=O)N1CC(N2C(=O)COC2=O)C1,ZNVYETFORSORIR-UHFFFAOYSA-N
rxn:4:200386:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1,WMXCTVKVZKYIFW-UHFFFAOYSA-N
rxn:4:200475:223695,COCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)CC1,KWIUPPLMQBONFI-UHFFFAOYSA-N
rxn:4:200479:223489,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CC1,DWDVUYSJQCOODS-UHFFFAOYSA-N
rxn:4:200540:224596,COc1cc(N2CCCCC2C)ccc1-c1cnccc1OC1CCN(S(=O)(=O)Cc2ccccc2Cl)C1,SOYWXDAIYYHHNG-UHFFFAOYSA-N
rxn:4:200559:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1coc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HFKGYZAPYBUDRO-UHFFFAOYSA-N
rxn:4:200560:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccoc1CN1CCN(C(=O)OC(C)(C)C)CC1,XBEBUJPTHIYGDQ-UHFFFAOYSA-N
rxn:4:200560:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccoc1CN1CCN(C(=O)OC(C)(C)C)CC1,JBMNYKSFWMIIOV-UHFFFAOYSA-N
rxn:4:200567:225618,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(OC4CCCCO4)c3)c(C)c2)CC1,OYJFFZDBPDWDTJ-UHFFFAOYSA-N
rxn:4:200575:223938,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)n2)C1,LBKIRXCQNVVRHD-UHFFFAOYSA-N
rxn:4:200603:223528,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,NOUAVOKYTGALJI-UHFFFAOYSA-N
rxn:4:200603:225665,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(Cl)cc3N3CCCCC3)c2)CC1,ASFZPFQEAYIGQM-UHFFFAOYSA-N
rxn:4:200603:226729,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cnc(OC4CCOC4)nc3)c2)CC1,CKIRZQPBUASVNQ-UHFFFAOYSA-N
rxn:4:200607:223932,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,OAJCSVHANJPWSS-UHFFFAOYSA-N
rxn:4:200607:226714,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2ccnn2C(=O)OC(C)(C)C)CC1,ODXUEEAYZKVUMG-UHFFFAOYSA-N
rxn:4:200649:223790,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)CC1,VBBFSJHMESILTB-UHFFFAOYSA-N
rxn:4:200652:225092,CCCCOc1cc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1OC,MHAGGDZNAGREBP-UHFFFAOYSA-N
rxn:4:200654:224160,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)C1,SORJHCBSKLFKDE-UHFFFAOYSA-N
rxn:4:200671:225616,O=C(CCc1ccccc1-c1ccccc1C(=O)N1CCCC1)N1CCC(N2C(=O)COC2=O)CC1,YKFPKAGXRRBHHZ-UHFFFAOYSA-N
rxn:4:200671:228874,N#Cc1cnc(Cl)c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,GBJSFEHMTVJIHM-UHFFFAOYSA-N
rxn:4:200700:224081,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)c2)CC1,UXLHQJHYDIOEQR-UHFFFAOYSA-N
rxn:4:200702:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)c(Cl)c1,SUEFKEFVMDFSIC-UHFFFAOYSA-N
rxn:4:200705:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,JULKYRSBPZQIDU-UHFFFAOYSA-N
rxn:4:200710:223932,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)CC1,YYLPBNMMZNSMEO-UHFFFAOYSA-N
rxn:4:200712:224161,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1,ZIDXIRKPOAWBQC-UHFFFAOYSA-N
rxn:4:200712:227661,Cc1cc(C(F)(F)F)ccc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,ZTCZJTQQLQYYTO-UHFFFAOYSA-N
rxn:4:200713:223241,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C4CCNC4)c3)c2F)CC1,DLDSDTBARHGHEC-UHFFFAOYSA-N
rxn:4:200713:225980,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(N4CCOCC4)ncc3F)c2F)CC1,XWWOYGVGFMBSHM-UHFFFAOYSA-N
rxn:4:200720:224134,Cc1cc(OCc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)ccc1Cl,FXBGYQSEFYTIIY-UHFFFAOYSA-N
rxn:4:200733:222426,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2C(F)(F)F)CC1,OVIQNKYYBHPDTQ-UHFFFAOYSA-N
rxn:4:200734:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2)CC1,LKQKJSZPCWOLDE-UHFFFAOYSA-N
rxn:4:200740:228214,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CC4)cc3F)c(F)cc2F)CC1,SOGATEGOTJVTMU-UHFFFAOYSA-N
rxn:4:200765:223505,Cc1ccc(-n2c(-c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)cnc2SCC(C)C)cc1,RCUGPLYGSFLXJE-UHFFFAOYSA-N
rxn:4:200781:222412,CNC(=O)Nc1ccc(-c2cc(C)ccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,ABKAIGOJYUVAFN-UHFFFAOYSA-N
rxn:4:200783:222426,Cc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,ZAIZGARZUPXFRY-UHFFFAOYSA-N
rxn:4:200791:222971,C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(NC(=O)C(C)(C)C)cc3)c2)CCN1C(=O)OC(C)(C)C,ULXSDCUINQBQCB-SFHVURJKSA-N
rxn:4:200813:224120,Cc1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,BURHEKLCTQCGLH-UHFFFAOYSA-N
rxn:4:200814:225218,Cc1cc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,YIOHHFVYLZMSOJ-UHFFFAOYSA-N
rxn:4:200818:224158,C[C@H]1CN(Cc2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,DPRBTVYLBIERKT-FQEVSTJZSA-N
rxn:4:200821:226021,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2)CC1,PHNULAJCJQAIGP-UHFFFAOYSA-N
rxn:4:200822:224408,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)c2)CC1,XXNLYLZHUAOTSX-UHFFFAOYSA-N
rxn:4:200823:223573,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KTMJEFVPXUZWKI-UHFFFAOYSA-N
rxn:4:200824:227946,Cc1ccc(-c2ccc(C(C)(C)C)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DBZYKVDNNHHZTG-UHFFFAOYSA-N
rxn:4:200825:223061,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCNCC2)ncc1F,SBDMZIXJZWMHLG-UHFFFAOYSA-N
rxn:4:200826:223937,Cc1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZQJBJALQHGRGRN-UHFFFAOYSA-N
rxn:4:200826:227408,Cc1cc(-c2cc(C3CCC3)ncc2F)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JUGLNWUYADNIOK-UHFFFAOYSA-N
rxn:4:200844:225144,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2C2CC2)CC1,LMFGDXOLTCZHPH-UHFFFAOYSA-N
rxn:4:200857:223480,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,ONQRTPBBRPTQLA-AREMUKBSSA-N
rxn:4:200857:223577,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,ABRGOILOHLHPPR-XMMPIXPASA-N
rxn:4:200871:226115,Cc1cc(-c2cccc(C(=O)CC(C)C)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OOYDUIQHLHGPOP-UHFFFAOYSA-N
rxn:4:200882:223888,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c1)C2,DHTHZNDYKQDNHM-UHFFFAOYSA-N
rxn:4:200883:224653,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccc(Cl)cc1OCC1CCCCO1)C2,OHRBOWQKESXSNT-UHFFFAOYSA-N
rxn:4:200887:222612,COc1ccccc1C1CC(c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,USBJVOTUYFQDIK-UHFFFAOYSA-N
rxn:4:200895:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(=O)N2CCCCC2CCN2CCCCCC2)cc1,XYMOPZUYNNBNOJ-UHFFFAOYSA-N
rxn:4:200897:225636,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccnc(N2CCC(C)CC2)c1,MDZRVGCDXLSBRZ-UHFFFAOYSA-N
rxn:4:200903:225980,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(N4CCOCC4)ncc3F)cc2C(C)C)CC1,ZDEGXOZGSRKOCX-UHFFFAOYSA-N
rxn:4:200953:223689,C#CCn1c(=NC(=O)Cc2ccccc2)sc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCN(CC)CC4)c3)ccc21,YXNNCYFKQHCUDV-UHFFFAOYSA-N
rxn:4:201089:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3s2)CC1,DMVLYEWIFZZTMJ-UHFFFAOYSA-N
rxn:4:201144:224268,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc32)CC1,GQXQAYMAOFXQAI-UHFFFAOYSA-N
rxn:4:201151:224268,CC(C)(C)OC(=O)N1CCCC(CN2CCc3cc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)ccc3C2)C1,PTARPYJFKYYLFW-UHFFFAOYSA-N
rxn:4:201235:223813,COC(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cnn1CC(F)(F)F,RYKRYEPGHWDTBZ-UHFFFAOYSA-N
rxn:4:201273:223606,CCOC(=O)Cc1cnc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cn1,UQBDDGQYTWORRR-UHFFFAOYSA-N
rxn:4:201278:223606,COC(=O)CCc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cn1,HZCHDVMNBRNSAL-UHFFFAOYSA-N
rxn:4:201384:223539,CCOC(=O)Cn1nc(C)c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C,YPHWKNXIPMEQTO-UHFFFAOYSA-N
rxn:4:201563:223697,CCOC(=O)c1cn(C(C)(C)C)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,RVSLPDOZHGLYDO-UHFFFAOYSA-N
rxn:4:201644:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)on3)cn2)CC1,OKFJNWNMMOQGPK-UHFFFAOYSA-N
rxn:4:201645:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)cs3)ccc2F)CC1,QCNFIMGRAPBQIE-UHFFFAOYSA-N
rxn:4:201646:223939,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)nn1CC1CCOCC1,OKJVNPIBAMVNJD-UHFFFAOYSA-N
rxn:4:201694:223981,CCOC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,PBNVRJGRBGFAMC-UHFFFAOYSA-N
rxn:4:201704:224760,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CC(CN2C(=O)CCC2=O)C1,PTLSCPDCCVSNAA-UHFFFAOYSA-N
rxn:4:201760:226739,CC(=O)c1ccc(-c2ccc(CC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)cc1[N+](=O)[O-],VRFJDUDPKGWOAC-UHFFFAOYSA-N
rxn:4:201765:223985,COc1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1S(=O)(=O)N1CCCCC1,IDQAYYJRUINDGB-UHFFFAOYSA-N
rxn:4:201765:225569,COC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1C1CC1,YOWJSUHFZOHTQU-UHFFFAOYSA-N
rxn:4:201765:227119,O=C(c1ccc(-c2cc(C3CCCCC3)cs2)cc1)N1CC(CN2C(=O)COC2=O)C1,LYZVQZMJKFWBQJ-UHFFFAOYSA-N
rxn:4:201773:223521,CC(c1cccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)n2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NBTVTGKDBBGHEZ-UHFFFAOYSA-N
rxn:4:201794:223498,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YHFBLAUVYIZKEV-UHFFFAOYSA-N
rxn:4:201842:224394,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,WNCJSKOHABWCKP-UHFFFAOYSA-N
rxn:4:201923:223084,CC(C)(C)OC(=O)N1CCC(c2csc(-c3cnc(N4CCC(O)CC4)nc3)n2)CC1,KHVWUALUTWUAHM-UHFFFAOYSA-N
rxn:4:201923:223499,CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,QDQPOOGMMANQIG-UHFFFAOYSA-N
rxn:4:201923:223937,CC(C)(C)OC(=O)N1CCC(c2csc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)n2)CC1,YIDNIQTYVATGOE-UHFFFAOYSA-N
rxn:4:201932:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1Cl,YMGFFIOKYCXITL-UHFFFAOYSA-N
rxn:4:201932:223775,COc1ccc2c(c1)c(-c1ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c1)cn2C(=O)OC(C)(C)C,CEOUOLAVLOZSRK-UHFFFAOYSA-N
rxn:4:201958:224276,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c(F)n2)C1,IJUFYBVNMCCPOQ-UHFFFAOYSA-N
rxn:4:202001:222957,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)cc(C2CCCNC2)c1,DSSDYLSHGNYLQX-UHFFFAOYSA-N
rxn:4:202001:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cc2F)CC1,DVQPBQZIXKCLAL-UHFFFAOYSA-N
rxn:4:202008:222855,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(OC)cc(C2CCCNC2)c1,SCPXOPMQQCOKCP-UHFFFAOYSA-N
rxn:4:202015:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(N2CCOCC2)c(C(=O)OC(C)(C)C)c1,BVWIQLBTULXTGZ-UHFFFAOYSA-N
rxn:4:202020:222948,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cnc(N3CCC(O)CC3)nc2Cl)C1,IKSOCZZYRWFLLY-UHFFFAOYSA-N
rxn:4:202020:225233,CC1CCCN(c2cc(-c3cnccc3C3CN(C(=O)OC(C)(C)C)CCO3)cnc2Cl)C1,XXTGRYZMIJDXJZ-UHFFFAOYSA-N
rxn:4:202022:223932,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cn1,IYPSHLALUJZEDK-UHFFFAOYSA-N
rxn:4:202072:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)c1,NFVPUFMCTLGFOF-UHFFFAOYSA-N
rxn:4:202072:225361,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cn(C4CCCC4)nc3C(F)(F)F)c2)C(=O)C1,YIWZCPKUUPCQTD-UHFFFAOYSA-N
rxn:4:202073:223581,COC(=O)c1cccc2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3=O)n(C(=O)OC(C)(C)C)c12,GRWVDILHZJGACR-UHFFFAOYSA-N
rxn:4:202086:224753,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cc(S(=O)(=O)N4CCCC4)ccc3C)C2)ccc1F,GWFMHNSWQZKXMA-UHFFFAOYSA-N
rxn:4:202088:223835,Cc1cc(F)c(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,HSHDUQBYVAHYIK-UHFFFAOYSA-N
rxn:4:202097:223636,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)n2)CC1,ZAKWRZIHOYXSGM-UHFFFAOYSA-N
rxn:4:202104:224277,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)ccn2)CC1,YTQSTAVLXDGVCQ-UHFFFAOYSA-N
rxn:4:202106:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)ccc2F)CC1,IQIDQJCRBUOMSX-UHFFFAOYSA-N
rxn:4:202111:222929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2)CC1,JBPPDFVSKMQJLL-UHFFFAOYSA-N
rxn:4:202126:223491,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,HZIZIRFMEBAZCQ-UHFFFAOYSA-N
rxn:4:202126:224624,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)ccc1C(=O)OCC(C)(C)C,HJUVKKVBLMIGRQ-UHFFFAOYSA-N
rxn:4:202127:224272,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)CC1,BVPVUWRKYVNTSY-UHFFFAOYSA-N
rxn:4:202131:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,HNHUXJUOVVMGDW-UHFFFAOYSA-N
rxn:4:202131:225947,CN1CCN(c2ncc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,MZPHXSXHJQVIAK-UHFFFAOYSA-N
rxn:4:202146:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1F,KBEIZCVQLKDSBB-UHFFFAOYSA-N
rxn:4:202170:223696,O=C(C1CN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CCO1)N1CCCC1,HMWRBMZFFVKKLW-UHFFFAOYSA-N
rxn:4:202170:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3CN3CCOC(C(=O)N4CCCC4)C3)c2)CC1,UOHNSLUIABUQJY-UHFFFAOYSA-N
rxn:4:202170:224754,O=C(C1CN(Cc2ccccc2-c2ccccc2S(=O)(=O)N2CCCCC2)CCO1)N1CCCC1,DBZYPSHLOIMECK-UHFFFAOYSA-N
rxn:4:202170:225879,O=C(C1CN(Cc2ccccc2-c2ccc(N3CCOCC3)cc2F)CCO1)N1CCCC1,JPUVKSCJFXTWTK-UHFFFAOYSA-N
rxn:4:202170:226645,O=C(C1CN(Cc2ccccc2-c2ccnc(N3CCOCC3)c2)CCO1)N1CCCC1,UVQRIZCRRYIKLB-UHFFFAOYSA-N
rxn:4:202225:224270,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)n1,GMWDGLAZXBZTMW-UHFFFAOYSA-N
rxn:4:202274:223952,CN1CCN(CCOc2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2Cl)CC1,FAYMMHFKDAWPPG-VEEOACQBSA-N
rxn:4:202295:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)c(OC)c2)cc(C2CCCNC2)n1,OGBCPDDNLBHDNC-UHFFFAOYSA-N
rxn:4:202301:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1,DTPVJMRLGYTQEN-UHFFFAOYSA-N
rxn:4:202303:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC,DKZONIMDANIBFY-UHFFFAOYSA-N
rxn:4:202303:223999,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,RUXZUIODMOVBAH-UHFFFAOYSA-N
rxn:4:202306:223598,CCN1CCN(Cc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc(C(C)(C)C)c2)CC1,QZWGYCZKOZRTHO-UHFFFAOYSA-N
rxn:4:202327:222890,COc1cc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)cc(C2CCCNC2)n1,VKHOBMGYEPZREQ-UHFFFAOYSA-N
rxn:4:202330:222622,CCC(C)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cc(C2CCCNC2)n1,RYTBTQVHNXYCON-UHFFFAOYSA-N
rxn:4:202333:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OC)cc(C2CCCNC2)n1,QGSKWGXFFDZVLJ-UHFFFAOYSA-N
rxn:4:202341:226094,CC(C)CCOc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1,XYDGWIZBJKCHQI-UHFFFAOYSA-N
rxn:4:202341:226100,CCC(C)COc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1,YRKJDOLRGGSRPQ-UHFFFAOYSA-N
rxn:4:202412:224830,CCOC(=O)Cc1nc(-c2cc(C(F)(F)F)nn2C2CCCCO2)n2c1COCC2,PFLIAJHUNHFVKQ-UHFFFAOYSA-N
rxn:4:202461:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(c3)c(C(F)(F)F)nn4C(=O)OC(C)(C)C)c2)CC1,XBKPHOMDUIAAGS-UHFFFAOYSA-N
rxn:4:202697:222810,COc1ccc(N2C(=NC(=O)c3ccc(-c4cc(NC(=O)OC(C)(C)C)ncc4Cl)cc3)SC3CS(=O)(=O)CC32)cc1,NDZFJEXTUOKFLP-UHFFFAOYSA-N
rxn:4:202712:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)c2C1,LNTJRNGJTYYKBL-DEOSSOPVSA-N
rxn:4:202712:228601,CC(=O)c1ccccc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,YGJLPXHUBIQSNW-FQEVSTJZSA-N
rxn:4:202755:226715,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnn(C(=O)OC(C)(C)C)c4)ccc3OCC2=O)CC1,DDKUGBLGPUYYMH-UHFFFAOYSA-N
rxn:4:202807:226452,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3OCCCO3)cc2)cc1,IBZKZIBKUWUPRN-UHFFFAOYSA-N
rxn:4:202883:223502,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)nn1C(F)F,UDTORRRDLBLCIR-UHFFFAOYSA-N
rxn:4:202937:223606,COC(=O)c1[nH]nc(OC)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,YROPLSDPAXHFSM-UHFFFAOYSA-N
rxn:4:202995:223598,CS(=O)(=O)CCn1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cn1,GZIGOYWIPFJBFG-UHFFFAOYSA-N
rxn:4:203709:225993,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc1[N+](=O)[O-],QKKNWOQZVGSMCY-UHFFFAOYSA-N
rxn:4:203709:226503,CON(C)C(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1,JRMOPZZJZFEGND-UHFFFAOYSA-N
rxn:4:203825:225163,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2)CC1,VVAXGFSXSMUUAU-UHFFFAOYSA-N
rxn:4:203833:222442,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)o1)N1CCC(N2C(=O)CSC2=O)CC1,ONADCLNYBBEKNL-UHFFFAOYSA-N
rxn:4:203833:225672,O=C(c1ccc(-c2cc(F)nc(C3CCCCC3)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,UFAOKJPZEINXSM-UHFFFAOYSA-N
rxn:4:203833:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1,ZDNVQTDAXGITQT-UHFFFAOYSA-N
rxn:4:203833:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)o1,WMQPJMGJEDWJFD-UHFFFAOYSA-N
rxn:4:203833:227044,O=C(c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1)C1CC1,RJMFDBQXHJKQHF-UHFFFAOYSA-N
rxn:4:203890:224355,COc1ncc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1C(=O)N1CCCCCC1,IFLYBAGKGCYMJQ-UHFFFAOYSA-N
rxn:4:203904:222396,COc1cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc(C(=O)N2CCN(C)CC2)c1F,INYGUPYAQVUIRM-UHFFFAOYSA-N
rxn:4:203977:226733,CN(C)S(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,UMEYCFWGHWIELY-UHFFFAOYSA-N
rxn:4:203985:223077,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC(N2C(=O)COC2=O)CC1,ITQFVISQIRCZPX-UHFFFAOYSA-N
rxn:4:203985:226999,CCCC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,ZVDZNSCROHOTCN-UHFFFAOYSA-N
rxn:4:203985:227187,CN1Cc2c(cccc2-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)C1=O,ZCXLGWSSTUJNHR-UHFFFAOYSA-N
rxn:4:203985:227803,CN(C)S(=O)(=O)n1nccc1-c1ccccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1,ZOBOILKNIYFCFI-UHFFFAOYSA-N
rxn:4:203987:227656,O=C(c1cc(-c2cc(N3CCOCC3)cs2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,PTBLJRAAEXZFMB-UHFFFAOYSA-N
rxn:4:204020:225297,O=C(C1CCC1)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,VAFZXAJWXDGDAN-UHFFFAOYSA-N
rxn:4:204036:224766,CN(C)C1CCN(c2ccc(C(F)(F)F)cc2-c2cc(N3CCCC3)cc(C(F)(F)F)c2)CC1,FQJLKNUEBOSTRA-UHFFFAOYSA-N
rxn:4:204046:228389,Cc1ccc([N+](=O)[O-])c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,IESRNZQKSMRDSD-UHFFFAOYSA-N
rxn:4:204109:222618,O=C(NCc1ccccc1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,SNGPSXWLOKSAEL-UHFFFAOYSA-N
rxn:4:204109:227044,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1)C1CC1,DYXBMIYUUMKNNI-UHFFFAOYSA-N
rxn:4:204134:226272,CCN(C)C(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,NSBRMNVFMXWODW-UHFFFAOYSA-N
rxn:4:204140:223894,CN1CCN(CCCOc2cccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c2)CC1,RUJMJWYPXMNJBQ-UHFFFAOYSA-N
rxn:4:204153:224404,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)c(C)c3)CC2)cc1,ZBJGIRDOHDSPQX-UHFFFAOYSA-N
rxn:4:204156:222628,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)c1,LMZRSWSDUREHHI-UHFFFAOYSA-N
rxn:4:204180:223844,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)c(C)cc3C)CC2)c(C)c1,NMJCTUHRXRULST-UHFFFAOYSA-N
rxn:4:204182:225926,Cc1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,CAZCKQULSQSVQC-UHFFFAOYSA-N
rxn:4:204393:223527,CCOC(=O)c1c(C)nc2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn12,NSUZWSGKLQWVAP-UHFFFAOYSA-N
rxn:4:204416:223095,CC(=O)Nc1cccc(-c2cc3c(cc2[N+](=O)[O-])CCN(C(=O)C(F)(F)F)C3)c1[N+](=O)[O-],YAYSXTHJYKPHQG-UHFFFAOYSA-N
rxn:4:204513:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)cc2F)CC1,LHDDMCDDBNVMEF-UHFFFAOYSA-N
rxn:4:204606:224081,CC(C)(C)OC(=O)N1CCc2cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)c(Cl)nc2C1,IEAFTZNFIPOJOY-UHFFFAOYSA-N
rxn:4:204682:222948,Cc1cc2c(c(-c3cnc(N4CCC(O)CC4)nc3Cl)n1)CN(C(=O)OC(C)(C)C)CC2,RNGMGCCWCYFECS-UHFFFAOYSA-N
rxn:4:204696:224817,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1,VVIVOEZVCQEQIT-UHFFFAOYSA-N
rxn:4:204780:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,CQCFTVVVXLFUBM-UHFFFAOYSA-N
rxn:4:204844:222538,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)c4ccccc34)CC2)cc1,YWNGXJLJCXEGAA-UHFFFAOYSA-N
rxn:4:204872:223650,Cc1ccc(C2C3C(=O)N(c4ccc(-c5ccccc5N5CCN(C(=O)OC(C)(C)C)CC5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,IBTQWYSNFACZCG-UHFFFAOYSA-N
rxn:4:205604:223490,Cc1ccc(-c2ccc(CN(C)C)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PUUWUUXFCDNDKL-UHFFFAOYSA-N
rxn:4:206189:223606,N#Cc1cc(N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,VUDQHJCQIRRFQU-UHFFFAOYSA-N
rxn:4:206325:223635,COc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1C1CCCC1,LUWCKQVSNVZZFP-UHFFFAOYSA-N
rxn:4:206411:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4(C#N)CCOCC4)nc3)c2)CC1,GIWMQYCYOUDEGM-UHFFFAOYSA-N
rxn:4:206487:223606,CCc1nc(N2CCOCC2)sc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,XQQOMDCWRGFOAK-UHFFFAOYSA-N
rxn:4:206525:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)nc3)cc2)CC1,PETVYXJSSIDNCJ-UHFFFAOYSA-N
rxn:4:206747:223581,COC(=O)c1cccc2cc(-c3cccc([N+](=O)[O-])c3N3CCC(F)(F)CC3)n(C(=O)OC(C)(C)C)c12,BEQIEKPGVHFMAI-UHFFFAOYSA-N
rxn:4:206747:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3N3CCC(F)(F)CC3)cc2Cl)CC1,PAOLVCNQPUWITM-UHFFFAOYSA-N
rxn:4:206943:224721,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1c(C)nn(CC(=O)OC(C)(C)C)c1C,IPQBOCBDQDTDIT-UHFFFAOYSA-N
rxn:4:206957:224394,Cc1ccc(-c2cncc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,IYCAZXZMEBSHLH-UHFFFAOYSA-N
rxn:4:207067:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1nc(C2CCOCC2)cc(C(C)(C)C)n1,WKXUVSKFZBTBBY-UHFFFAOYSA-N
rxn:4:207086:223532,Cc1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,PBTYGDGOIJDFKK-UHFFFAOYSA-N
rxn:4:207315:223845,COC(=O)c1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)n2c1COCC2,SCGCRTPKOKDERM-UHFFFAOYSA-N
rxn:4:207747:224397,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,AFYDTTSFLQCRPZ-UHFFFAOYSA-N
rxn:4:207796:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1,HOVKDDRWTCXTKC-UHFFFAOYSA-N
rxn:4:208814:223505,Cc1cc(S(N)(=O)=O)cnc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,VDIMBSOJEFISSX-UHFFFAOYSA-N
rxn:4:209225:223588,Cc1cc(-c2nnc(C3(C)CCOC3)s2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ODAQBVGRZDKVQU-UHFFFAOYSA-N
rxn:4:209670:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnn(C3CCS(=O)(=O)CC3)c2)CC1,XQNKTMBFMHQQPT-UHFFFAOYSA-N
rxn:4:209736:223697,CC1CCN(c2cnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)s2)CC1,CQFUQFBVLKGIOA-UHFFFAOYSA-N
rxn:4:209808:223602,Cc1nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1C1CCCCC1,BOMICIGOWCMXRD-UHFFFAOYSA-N
rxn:4:209812:223698,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cnn1C1CCS(=O)(=O)CC1,PBIREQCGQSWSRL-UHFFFAOYSA-N
rxn:4:211092:223595,CN1C(=O)c2oc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3c(=O)c2C1c1ccccn1,DKAUIINJYVALRS-UHFFFAOYSA-N
rxn:4:211099:223787,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)ccc2OC32CCCC2)cc1,XNNVYYUISWBVBW-UHFFFAOYSA-N
rxn:4:212340:222439,Cc1nn2c(c1-c1ccc(S(=O)(=O)NC3CCCCC3)cc1C(F)(F)F)C(=O)CCC2,ILYXAQJPHPDIIB-UHFFFAOYSA-N
rxn:4:212571:223669,Cn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,OHTRGDYFQAADFS-UHFFFAOYSA-N
rxn:4:212605:223575,Cn1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,MZHWGWPMGIQHEG-UHFFFAOYSA-N
rxn:4:212605:223888,Cn1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,YCVQTCLLDCHJIM-UHFFFAOYSA-N
rxn:4:212652:223152,COC(=O)c1cc(-c2ccc(NC(=O)N(C)C)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VRZGEGSELHQPTI-UHFFFAOYSA-N
rxn:4:212692:226421,CC1CN(C(=O)Cc2cncc(-c3ccc(Cl)cc3N3CCCC3)c2)CCN1C(=O)OC(C)(C)C,LOPRDTASLJOFMU-UHFFFAOYSA-N
rxn:4:212704:226241,COC(=O)CCc1cccc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,DLGHSVDAYHSHAS-UHFFFAOYSA-N
rxn:4:212723:222699,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc4)CC3)n2)cc1,SWXNCKLHGSYKSW-UHFFFAOYSA-N
rxn:4:212728:223999,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5F)cc4)CC3)n2)c1,IEMGJLBPJADXIT-UHFFFAOYSA-N
rxn:4:212738:222893,CCOC(=O)c1n[nH]c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)ccc12,PTGLYOCUOPOHGH-UHFFFAOYSA-N
rxn:4:212738:223683,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2N2CCOCC2)CC1,OXXZEHLYYBBSEK-UHFFFAOYSA-N
rxn:4:212738:228214,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CC4)cc3F)cc2N2CCOCC2)CC1,IXEFGXZXYRFADO-UHFFFAOYSA-N
rxn:4:212743:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,TWLWENHNPBGKMR-UHFFFAOYSA-N
rxn:4:212743:223883,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)cc3)CC2)CC1,LPPGZGPBNZCMTF-UHFFFAOYSA-N
rxn:4:212747:223594,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCOCC1,PIKYJZKNKIFORT-UHFFFAOYSA-N
rxn:4:212747:223637,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1N1CCOCC1,DGAPMLXFPDNIJM-UHFFFAOYSA-N
rxn:4:212747:223776,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1N1CCOCC1,CAFWRDGXNVXSQZ-UHFFFAOYSA-N
rxn:4:212747:225294,CCN1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)cn2)CC1,VDTIQOZQOCOAEY-UHFFFAOYSA-N
rxn:4:212747:228020,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2c(F)cccc2C2CC2)cc1N1CCOCC1,ZKADMLKQWGCLMJ-UHFFFAOYSA-N
rxn:4:212770:225286,CCOC(=O)c1nn2c(c1-c1cc(F)ncc1C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CC2,QVUJLCWLNDMQNS-UHFFFAOYSA-N
rxn:4:212770:228090,CCOCc1cncc(-c2c(C(=O)OCC)nn3c2CN(C(=O)OC(C)(C)C)CC3)c1,CNMQTMDWKKLMDJ-UHFFFAOYSA-N
rxn:4:212804:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)c2F)C1,UQHCXTGYOZCMGV-UHFFFAOYSA-N
rxn:4:212804:224414,O=C(OCc1ccccc1)N1CCC(Cn2ccc3c(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)ccnc32)CC1,XBNQNFNXKLRZHE-UHFFFAOYSA-N
rxn:4:212822:222612,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc43)CC2)cc1,JVAXQCGCEAJHOD-UHFFFAOYSA-N
rxn:4:212822:223167,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccnc(N6CCNCC6)c5)cc43)CC2)cc1,AFNDJQVQNLMIKB-UHFFFAOYSA-N
rxn:4:212829:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2[nH]c(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,HSTVRTQWSCSDBA-UHFFFAOYSA-N
rxn:4:212829:227584,COc1cc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc(OC)c1Cl,YJEZAFCTKLWMJV-UHFFFAOYSA-N
rxn:4:212850:223994,CCCn1c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)cc2c2nc3cc(OCC)c(OCC)cc3nc21,YGYCYTOHYPEPHO-UHFFFAOYSA-N
rxn:4:212905:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,KOARVSHXPLXYFH-UHFFFAOYSA-N
rxn:4:212939:223934,CC(C)(C)OC(=O)N1CC(Cc2ncc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cn2)C1,PHHXNSSZRQRSJC-UHFFFAOYSA-N
rxn:4:212944:223504,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,HMGDMOQZNVXLJF-UHFFFAOYSA-N
rxn:4:212944:224624,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)CC1,MPTGTGKOTHHJDB-UHFFFAOYSA-N
rxn:4:212964:224279,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cn2)C1,DWRIFAYECGREPC-UHFFFAOYSA-N
rxn:4:212988:223761,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)CC1,CPZSNQYHCAGTJG-UHFFFAOYSA-N
rxn:4:212992:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1)N1CCOCC1,DWZQPMHOQBDFKS-UHFFFAOYSA-N
rxn:4:212992:226022,COc1cccc(OC(F)(F)F)c1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,CRAMGIGQEHNDND-UHFFFAOYSA-N
rxn:4:213012:222881,CC(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NC(C)(C)C)cc3F)cn2)CC1,AOQYZVHCQZIODB-UHFFFAOYSA-N
rxn:4:213028:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(Cl)c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1,YLDDSSAQZLSGIR-UHFFFAOYSA-N
rxn:4:213031:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(S(=O)(=O)c5cc(F)ccc5OC)C4)nc3)ccc2OC)CC1,XPMLIZSVGHCACS-UHFFFAOYSA-N
rxn:4:213039:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,WCJYHTLTWKLILX-UHFFFAOYSA-N
rxn:4:213040:226502,Cc1nc(-c2ccn(C(=O)OC(C)(C)C)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,ZXUPXTPMLYEATN-UHFFFAOYSA-N
rxn:4:213043:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc1,ROMYNPGUJNSMNB-UHFFFAOYSA-N
rxn:4:213046:224486,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc(C(=O)N(C(C)C)C(C)C)c1,YWABBLKLENOSFH-UHFFFAOYSA-N
rxn:4:213061:222722,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cc2)CC1,IWKRPVIXWZBPSG-UHFFFAOYSA-N
rxn:4:213061:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,UQBZPNBAJKHLAV-UHFFFAOYSA-N
rxn:4:213073:223670,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,NRFYTNVASLHJSN-UHFFFAOYSA-N
rxn:4:213078:222802,Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c(S(=O)(=O)NC(C)(C)C)c1,JWTBFMQZGZQKGY-UHFFFAOYSA-N
rxn:4:213079:224272,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)nc2)CC1,HOAGSYISLHIPEB-UHFFFAOYSA-N
rxn:4:213079:226715,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)nc2)CC1,HJNLCDVYAGUZFY-UHFFFAOYSA-N
rxn:4:213080:223939,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,HSZVAMURFDKJOK-UHFFFAOYSA-N
rxn:4:213081:226714,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2C#N)CC1,GDZOINJKAVHYDC-UHFFFAOYSA-N
rxn:4:213092:223636,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,IZPOAKAMPCZCGW-UHFFFAOYSA-N
rxn:4:213093:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)c2)CC1,CVTCUTIDQVSXKI-UHFFFAOYSA-N
rxn:4:213093:223750,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cccnc4c3O[Si](C)(C)C(C)(C)C)c(C#N)c2)CC1,VIOVFZYEOPYXBZ-UHFFFAOYSA-N
rxn:4:213093:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N,YEOOQWYTZVUIOD-UHFFFAOYSA-N
rxn:4:213093:227338,CC(C)Oc1ccc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)c1,IHZDLOFKBPLMCS-UHFFFAOYSA-N
rxn:4:213095:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(C#N)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IYUPVUSWVJKDDE-UHFFFAOYSA-N
rxn:4:213095:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,WGZQYYWXAJXGNP-UHFFFAOYSA-N
rxn:4:213097:223938,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cn2)CC1,WZYREJTWTHCHPM-UHFFFAOYSA-N
rxn:4:213100:227279,CC(C)n1nc(C2CC2)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,XCQFAGWCMJABPG-UHFFFAOYSA-N
rxn:4:213104:228741,N#Cc1ccc(Cl)c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1,SZWBTOPIUJJZSY-UHFFFAOYSA-N
rxn:4:213110:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3)C2)nc1,XPHGEPJFTSIXDK-UHFFFAOYSA-N
rxn:4:213128:223931,COc1nc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cn1C1CCCN(C(=O)OC(C)(C)C)C1,JFHBUVZNQLLIHE-UHFFFAOYSA-N
rxn:4:213131:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)cc2)CC1,RFKWSSQEVQTZNM-UHFFFAOYSA-N
rxn:4:213134:226284,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(Cl)cc(OCC(C)C)c3)cn2)CC1,BFHYSUPTLHCIOX-UHFFFAOYSA-N
rxn:4:213135:226285,CC(C)COc1ccc(Cl)c(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)c1,VKJAZMSHGRZJCZ-UHFFFAOYSA-N
rxn:4:213138:227282,CC(C)c1ncc(C#N)cc1-c1cnc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QNRWRNWASMELSH-UHFFFAOYSA-N
rxn:4:213144:222720,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(N3CCNCC3)cc2C(F)(F)F)CC1,ZSZJTNGFYHZPTM-UHFFFAOYSA-N
rxn:4:213144:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1,VPLYPZPZISEELK-UHFFFAOYSA-N
rxn:4:213147:224956,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)c2)CC1,LVVNPIBTVKDRIW-UHFFFAOYSA-N
rxn:4:213147:225588,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccccc3CN3CCSCC3)c2)CC1,SRIWUIHWULNHAH-UHFFFAOYSA-N
rxn:4:213160:222826,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CC1,JWTJQEBLSPVBKV-UHFFFAOYSA-N
rxn:4:213192:222888,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)n2)CC1,NOVOZAIQYHIRRS-UHFFFAOYSA-N
rxn:4:213195:224754,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccccc3S(=O)(=O)N3CCCCC3)cn2)CC1,MZRUQVHEZRBPSZ-UHFFFAOYSA-N
rxn:4:213202:222791,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)CC2)nn1,WUOUQOJVNWYWBH-UHFFFAOYSA-N
rxn:4:213202:224009,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)CC2)cc1S(=O)(=O)N1CCOCC1,DEHQCLAQQVYWJG-UHFFFAOYSA-N
rxn:4:213213:223228,CCC(=O)Nc1ccc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,ZRMQYIDXORVBFX-UHFFFAOYSA-N
rxn:4:213213:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,BIZAGAJUKGKNOV-UHFFFAOYSA-N
rxn:4:213213:224963,CN(c1cccc(-c2cccc(COC3CCOCC3)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,CDFDZAHTENTQHV-UHFFFAOYSA-N
rxn:4:213217:223594,CCN1CCN(c2ncc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,XLKOPFWOWRQBSP-UHFFFAOYSA-N
rxn:4:213217:224653,CCN1CCN(c2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2C(=O)OC(C)(C)C)CC1,XVNZHMZMCRVVJY-UHFFFAOYSA-N
rxn:4:213223:224736,COc1ccc(-c2ccc(C(F)(F)F)cc2OCC(C)C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,LJKUFULXKTZMAN-UHFFFAOYSA-N
rxn:4:213224:222724,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)c2)c[nH]1,JRLQPDFZCIUQTM-QHCPKHFHSA-N
rxn:4:213236:222997,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(Cl)cc4C4CCCNC4)cn3)C2)cc1C,AUMSYXMPTKSNIA-UHFFFAOYSA-N
rxn:4:213259:223938,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)nc2)CC1(C)C,YDMWEZICVLMGHQ-UHFFFAOYSA-N
rxn:4:213275:223481,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)no3)CC2)cc1,BMKGFCZCGZDJON-UHFFFAOYSA-N
rxn:4:213281:224895,COc1ccc(-c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2)cc1,TUKSIQBJRHIEPB-UHFFFAOYSA-N
rxn:4:213281:226080,COc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2ccccc12,ORXDGUFXOSHLDM-UHFFFAOYSA-N
rxn:4:213281:227586,CCOc1ccc(Cl)c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1F,IBDQKEUYECFHDH-UHFFFAOYSA-N
rxn:4:213289:223499,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,QQLOVBFVYLDUQT-UHFFFAOYSA-N
rxn:4:213320:222809,COC(=O)c1nc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,ROBJABULLRPVMS-UHFFFAOYSA-N
rxn:4:213320:226174,COC(=O)c1nc(-c2ccc(C3CCCCC3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,MXBHYISEZHOOLB-UHFFFAOYSA-N
rxn:4:213388:223492,Cc1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QQLIZFJBRUNSHJ-UHFFFAOYSA-N
rxn:4:213474:227403,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc(N5CCCCC5)s4)ccc2-3)[nH]1,RBKXNGKWAMGXOI-LJAQVGFWSA-N
rxn:4:213476:228268,CSc1c(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)ccc(C)c1F,MSAQAQCOYVPLNR-RFEWWFJXSA-N
rxn:4:213626:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,FMBRRQPUHVCWKN-UHFFFAOYSA-N
rxn:4:213638:222722,O=C(C1CC(F)(F)C1)N1CC(Cn2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,JXCMHRUKCBTEJN-UHFFFAOYSA-N
rxn:4:213672:223888,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)CC1,VKEXQZJYENAOSZ-UHFFFAOYSA-N
rxn:4:213755:226716,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccn(C(=O)OC(C)(C)C)n3)cs2)CC1,QROWLFOJVKXDPK-UHFFFAOYSA-N
rxn:4:213766:222432,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)co2)CC1,REDMETXCSHIUCS-UHFFFAOYSA-N
rxn:4:213766:224290,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3OCCN3CCOCC3)co2)CC1,UOYKWPBWHSGAQB-UHFFFAOYSA-N
rxn:4:213767:223637,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)o2)CC1,PAVUPPUZFREVOP-UHFFFAOYSA-N
rxn:4:213767:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1,VXPVHEBGDGUVPM-UHFFFAOYSA-N
rxn:4:213770:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc2Cl)CC1,YLBNHDNXRPJVQT-UHFFFAOYSA-N
rxn:4:213782:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCN(Cc2ccncc2)CC1,FOEQPQLFMOYJRN-UHFFFAOYSA-N
rxn:4:213798:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)CC1,QZLVEDDBPSWXRD-UHFFFAOYSA-N
rxn:4:213799:225531,CCN(CC)Cc1cc(F)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ncn1,WKGADVNSIKBKJN-UHFFFAOYSA-N
rxn:4:213801:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cn2)CC1,VLCUQIOQYJDDPJ-UHFFFAOYSA-N
rxn:4:213833:223929,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)n2)CC1,QBHDUZCPJSABQK-UHFFFAOYSA-N
rxn:4:213835:223761,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,GUGQQZCUKHEFIT-UHFFFAOYSA-N
rxn:4:213835:223889,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CC1,MBLDJSSARXEIJX-UHFFFAOYSA-N
rxn:4:213836:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,FYSSFJQEYKJJLR-UHFFFAOYSA-N
rxn:4:213838:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3c[nH]nc3C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,MDTBFDJLLQUGFZ-UHFFFAOYSA-N
rxn:4:213839:223937,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,XUWSWWVUQWDDFO-UHFFFAOYSA-N
rxn:4:213865:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnccc3OC3CCN(S(=O)(=O)c4c(C)noc4C)C3)cc2C)CC1,QPCRSTSXSJKIKJ-UHFFFAOYSA-N
rxn:4:213865:224760,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1,HXEAGYWCGJLQCE-UHFFFAOYSA-N
rxn:4:213869:223844,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)CC3)cc2)c(C(F)(F)F)c1)N1CCCC1,QVZCJNSOLPACMU-UHFFFAOYSA-N
rxn:4:213874:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,FUWIWWYIMOTQGT-UHFFFAOYSA-N
rxn:4:213877:223788,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,HABSUFSRNAAECG-UHFFFAOYSA-N
rxn:4:213877:224273,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c2)CC1,KGSAVTLKHSHAQQ-UHFFFAOYSA-N
rxn:4:213879:222929,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cnc(Cl)c(N3CCC(O)CC3)c2)CC1,SAKHWMQGNSZRQT-UHFFFAOYSA-N
rxn:4:213879:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KMHMGSOKHMSAAI-UHFFFAOYSA-N
rxn:4:213882:226843,O=C(c1ccc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)cn1)C(F)(F)F,QFZZRUIBDCHGMW-UHFFFAOYSA-N
rxn:4:213884:223602,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)n2)CC1,BAYGREAFHYUXTR-UHFFFAOYSA-N
rxn:4:213884:223648,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,NKSGQJLZQRCECX-UHFFFAOYSA-N
rxn:4:213887:225830,Cc1nc(N2CCCCC2)ncc1-c1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,LNPBZPRMAHUYFS-UHFFFAOYSA-N
rxn:4:213888:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cncc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,RHTUIGLCOFSCHN-UHFFFAOYSA-N
rxn:4:213888:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,ZCLJFONGXAMXHY-UHFFFAOYSA-N
rxn:4:213891:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)cnc2C1,IYMPWCHTBVZBHP-UHFFFAOYSA-N
rxn:4:213892:223602,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,FMHNXFIQPKVDPO-UHFFFAOYSA-N
rxn:4:213892:223773,COc1cccc2cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,NJTUSNBGCAZGJI-UHFFFAOYSA-N
rxn:4:213895:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)cc1,QKOZCCKPOILBJG-UHFFFAOYSA-N
rxn:4:213895:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCCN2C(=O)OC(C)(C)C)nc1,RUHLOOXBFJRNLD-UHFFFAOYSA-N
rxn:4:213897:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cnccc1N1CCN(C(=O)OC(C)(C)C)CC1,XKDWNESKANYCLO-UHFFFAOYSA-N
rxn:4:213900:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,AKCXPQDPVLGLDS-UHFFFAOYSA-N
rxn:4:213901:223818,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,UHCAGDKEOOQHOJ-UHFFFAOYSA-N
rxn:4:213901:225665,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(Cl)cc2N2CCCCC2)CC1,IOWQRQICUDKWJG-UHFFFAOYSA-N
rxn:4:213902:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,SJRBJEWVNYEXNS-UHFFFAOYSA-N
rxn:4:213942:224719,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,OHRVUFIULZFWIK-UHFFFAOYSA-N
rxn:4:213943:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1,QANVICUPXJXSAL-UHFFFAOYSA-N
rxn:4:213950:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCN(S(=O)(=O)C3CCCCC3)C2)nc1,KUMMWYUTHUJSCI-UHFFFAOYSA-N
rxn:4:213969:229016,O=C(c1ccc(-c2ccsc2C2CC2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,TVEASUNAZKXKQO-UHFFFAOYSA-N
rxn:4:213979:223106,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)nn1,WWJPADWJYXLUCJ-UHFFFAOYSA-N
rxn:4:213985:222791,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c1,WTACZWHUQCUSKO-UHFFFAOYSA-N
rxn:4:213988:223884,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,BLFLZTLHSWBYFI-UHFFFAOYSA-N
rxn:4:213988:226267,COCCOc1ccc(C)cc1-c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc1,LVUPLDUSLCGJEW-UHFFFAOYSA-N
rxn:4:213996:223492,Cc1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RIKGCGGFWAQXJZ-UHFFFAOYSA-N
rxn:4:213999:223521,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,YMEVZIAFLZZCTH-UHFFFAOYSA-N
rxn:4:214000:224268,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc1F,NTPVUOWFEXJQNF-UHFFFAOYSA-N
rxn:4:214005:228490,O=C(c1cccc(-c2cccc(S(=O)(=O)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,RTYNZCUAUWTGSM-UHFFFAOYSA-N
rxn:4:214009:223608,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O,XVNARFVIAGZAOY-UHFFFAOYSA-N
rxn:4:214010:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3C(=O)n3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)CC1,QXTQDGHOLFQGHW-MCZWQBSQSA-N
rxn:4:214028:223388,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)O)cc2)CCO1)N1CCCCC1,QIGRSLUFCKCFNJ-UHFFFAOYSA-N
rxn:4:214038:224009,COc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,UYGNHINVWBXGRJ-UHFFFAOYSA-N
rxn:4:214047:224272,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc2ccncc2n1C(=O)OC(C)(C)C,WTWCHJYIRLAATD-UHFFFAOYSA-N
rxn:4:214047:225312,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cnc(N2CCCN(C)CC2)nc1,HNIQATWCQNKZER-UHFFFAOYSA-N
rxn:4:214048:223940,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,KRBFXIYYHRIXQK-UHFFFAOYSA-N
rxn:4:214050:223576,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,PJINDHFHSYVGAD-YADHBBJMSA-N
rxn:4:214050:223774,COc1cccc2c1cc(-c1cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c1)n2C(=O)OC(C)(C)C,IDWCQEICGCVBCF-MOPGFXCFSA-N
rxn:4:214050:227076,CCC(C)c1ccc(F)c(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)c1,ZQEJUVZIDUPHHV-RWZMTBSZSA-N
rxn:4:214054:225864,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnc(Cl)c(-c4cccnc4)c3)CC2)C(=O)N1C1CC1,RQTPEJXIWPOWPO-UHFFFAOYSA-N
rxn:4:214056:225834,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cc(N5CCCCC5)ncc4F)o3)S2)CC1,QPQFCNANGLBHAR-UHFFFAOYSA-N
rxn:4:214064:224684,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)cc2N2CCOCC2)CC1,FDWOWRQPCYUKSW-UHFFFAOYSA-N
rxn:4:214065:224587,Cc1nn(C(=O)c2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,VOVKMJLKYRSNQQ-UHFFFAOYSA-N
rxn:4:214109:224323,CCOC(=O)c1cnc2c(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)c(C)nn2c1C(F)(F)F,YURSIJZPDQNAGQ-UHFFFAOYSA-N
rxn:4:214135:224320,CCN(CC)S(=O)(=O)c1c(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2n1CCOC2,OGWSMQFWCSENPT-UHFFFAOYSA-N
rxn:4:214179:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)cn2)C1,WRBMLNKAMGNQKG-UHFFFAOYSA-N
rxn:4:214185:225672,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cc(F)nc(C4CCCCC4)c3)c2C1,ZLNMIACYWDQFFY-UHFFFAOYSA-N
rxn:4:214185:225849,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(N4CCCCC4)cc3F)c2C1,KWILWRDPUWLZLC-UHFFFAOYSA-N
rxn:4:214185:226612,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(N4CCCCC4)nc3)c2C1,IXYJNZNSEBHMOX-UHFFFAOYSA-N
rxn:4:214185:226619,Cc1nc(N2CCCC2)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,SVPSRJZUGNZJAM-UHFFFAOYSA-N
rxn:4:214185:226829,Cc1cc(C(F)(F)F)cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1Cl,ABRNQTQDOXGNPU-UHFFFAOYSA-N
rxn:4:214185:228456,COc1nc(SC)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,MAFVIQLBHNKKRN-UHFFFAOYSA-N
rxn:4:214201:225232,CC1CCN(c2cc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cnc2Cl)CC1,NCUPWKDSLGPWTN-UHFFFAOYSA-N
rxn:4:214201:225899,Cc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)n(C(=O)OC(C)(C)C)n1,KHCVLMWEAFYUNQ-UHFFFAOYSA-N
rxn:4:214229:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1,FMIXZTFTCBOHBI-UHFFFAOYSA-N
rxn:4:214231:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cccc4nc(C5CN(C(=O)OC(C)(C)C)CCO5)cn34)c2)C1,WWXCEMHMKXTNQH-UHFFFAOYSA-N
rxn:4:214236:224964,CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc(COC3CCOCC3)cc2)C1,DFLYAJIPBCDLNO-UHFFFAOYSA-N
rxn:4:214255:223491,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c2c(Cl)ncnc21,KRXRWDGGXPPTOZ-UHFFFAOYSA-N
rxn:4:214274:226686,Cc1cnn(C2CCCCO2)c1-c1cccc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1,LFPSBVZSCCQYDY-UHFFFAOYSA-N
rxn:4:214276:223106,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(N5CCC(O)C5)nc4Cl)cnc3[nH]2)CC1,DHSPEUVDRKWGPR-UHFFFAOYSA-N
rxn:4:214304:225829,CC1CCN(c2ncc(-c3nn(C4CCOCC4)c4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,WMMJOMJZVAELPC-UHFFFAOYSA-N
rxn:4:214304:227739,Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1C(F)(F)F,BJAXVLIJUGCKMO-UHFFFAOYSA-N
rxn:4:214304:228738,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc(C)n1,WBQZIOFAEYCUSA-UHFFFAOYSA-N
rxn:4:214320:223683,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc32)CC1,SHGKOIJCWYXPPP-UHFFFAOYSA-N
rxn:4:214321:222948,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc32)CC1,HTEAZTYXUAJOSH-UHFFFAOYSA-N
rxn:4:214328:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2C1,MCVXMIDUOUMJNV-UHFFFAOYSA-N
rxn:4:214426:223696,CCn1nc(C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1C#N,YMLRGUPWSXEWSV-UHFFFAOYSA-N
rxn:4:214480:224132,CN(C(=O)c1ccccc1-c1cnc(C(=O)ON2C(=O)CCC2=O)cn1)C1CCCCC1,YWWUYGMPHFYJJV-UHFFFAOYSA-N
rxn:4:214703:222730,CCCc1cc(-c2cc(CN3CCN(C)CC3)cc([N+](=O)[O-])c2)cc(C2CCNCC2)n1,VRKPDGDVLIVERB-UHFFFAOYSA-N
rxn:4:214706:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)CC1,BSROAUVZWHURQK-UHFFFAOYSA-N
rxn:4:214706:224378,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cn2)C1,SWQDLUTYAGUYSV-UHFFFAOYSA-N
rxn:4:214710:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,LKBAKFQEMNMVHM-UHFFFAOYSA-N
rxn:4:214714:222826,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,YJNTUQUKVMSQRK-UHFFFAOYSA-N
rxn:4:214720:223810,Cc1cc(-c2cnn(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,PBZQQCPGFDYKHY-UHFFFAOYSA-N
rxn:4:214820:222898,COC(=O)CNC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1,BPONQADIALNFSW-UHFFFAOYSA-N
rxn:4:214821:223985,COc1ccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1,XYSZDRUCRLFUGD-UHFFFAOYSA-N
rxn:4:214852:225188,O=C(c1cncc(-c2ccc(Cl)c(CN3CCOCC3)c2)c1)N1CCC(N2CCCC2)CC1,AXRNNGIXBTYAPN-UHFFFAOYSA-N
rxn:4:214871:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c(F)c2)CC1,QVUKTAAGCNMRTM-UHFFFAOYSA-N
rxn:4:214872:226765,COC(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1F,DNENBQXBGSKJAS-UHFFFAOYSA-N
rxn:4:214883:228200,O=C(C1CCN(c2ccncc2-c2ccnn2C2CCCC2)CC1)N1CCC(F)(F)CC1,SZNDQRMAYWWOJW-UHFFFAOYSA-N
rxn:4:214883:228879,O=C(C1CCN(c2ccncc2-c2ccnn2C2COC2)CC1)N1CCC(F)(F)CC1,HTWYXDHYNLXJCP-UHFFFAOYSA-N
rxn:4:214885:228524,O=C(C1CCN(c2ncc(-c3cnc4c(c3)CCC4)cc2Cl)CC1)N1CCC(F)(F)CC1,MHCDBWCEHZCWDK-UHFFFAOYSA-N
rxn:4:214885:229049,O=C(C1CCN(c2ncc(-c3cnc4n3CCC4)cc2Cl)CC1)N1CCC(F)(F)CC1,OTOKKAWBYUBEBW-UHFFFAOYSA-N
rxn:4:215027:224408,CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)c21,URARXIWJVNVFGF-UHFFFAOYSA-N
rxn:4:215054:223937,CC(C)(C)OC(=O)N1CCc2c(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)ncn2C1=O,QAGSHFPUZFJRFH-UHFFFAOYSA-N
rxn:4:215054:224893,CC(C)(C)OC(=O)N1CCc2c(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)ncn2C1=O,LMRSJYUKDWGGEL-UHFFFAOYSA-N
rxn:4:215058:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,WNBFCGOBCYQURE-UHFFFAOYSA-N
rxn:4:215058:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,JKYZFZXNLMXQAW-UHFFFAOYSA-N
rxn:4:215058:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,OCPSJOCWYTXSNE-UHFFFAOYSA-N
rxn:4:215062:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,MOOKNNBDPBYNGD-UHFFFAOYSA-N
rxn:4:215062:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)C4)cc2C1,CYKMBDMJKYOCQG-UHFFFAOYSA-N
rxn:4:215096:223773,COc1cccc2cc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)C4C)n(C(=O)OC(C)(C)C)c12,NVHYXKKNDYLYJM-UHFFFAOYSA-N
rxn:4:215100:225313,CN1CCN(c2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)c(F)n2)CC1,RWNAUMUBZXFHDQ-UHFFFAOYSA-N
rxn:4:215101:225215,CC1CCN(c2nccc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)c2Cl)CC1,WZEHGUNXMJXGLE-UHFFFAOYSA-N
rxn:4:215102:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)CC1,SCILOYAEQXXAED-UHFFFAOYSA-N
rxn:4:215104:225102,CCN(CC)C(=O)c1cc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)ccc1F,NQMJWZQOQDSSMK-UHFFFAOYSA-N
rxn:4:215106:225991,Cc1nn2c(c1-c1cc(C(F)(F)F)nn1CC(C)C)CN(C(=O)OC(C)(C)C)CC2,JWZWPTROWAYCGE-UHFFFAOYSA-N
rxn:4:215170:225945,O=C(c1cncc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OYJHZASDGVCNRA-UHFFFAOYSA-N
rxn:4:215679:223592,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)nnn1C1CCCC1,TVCBATSDGRXNNJ-UHFFFAOYSA-N
rxn:4:215725:223671,COc1nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1C1CCCCO1,SENGNVPEZUXDRK-UHFFFAOYSA-N
rxn:4:215897:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1c(C)nn(S(=O)(=O)N2CCOCC2)c1C,OLHZGHIJUHXMQK-UHFFFAOYSA-N
rxn:4:215912:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1,JJGFSLZCXYNUAJ-UHFFFAOYSA-N
rxn:4:215925:223521,CC(C)c1cc(N2CCOCC2)nc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,KRFDVSTVOAEIKA-UHFFFAOYSA-N
rxn:4:215927:222612,O=S(=O)(c1ccc(F)c(-c2nc(C3CC3)cc(N3CCCCC3)n2)c1)N1CCC(O)CC1,PUHKMCOIOHVUCQ-UHFFFAOYSA-N
rxn:4:215927:224011,CN1CCN(S(=O)(=O)c2ccc(-c3nc(C4CC4)cc(N4CCCCC4)n3)cc2F)CC1,QXVFLTLAGLTMMC-UHFFFAOYSA-N
rxn:4:215948:224015,Cc1cc(F)c(-c2nc(C(C)C)cc(N3CCCCC3)n2)cc1S(=O)(=O)N1CCOCC1,GTZQKQPALCTTBP-UHFFFAOYSA-N
rxn:4:215967:224018,CC(C)(C)c1cc(N2CCOCC2)nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)n1,VGRVVNXZKOXONK-UHFFFAOYSA-N
rxn:4:215970:224375,CSc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c(N2CCC3(CC2)OCCO3)n1,GJGJESRNCQOXKG-UHFFFAOYSA-N
rxn:4:215974:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(N5CCOCC5)C4)nc3)cc2)CC1,OIMXMNNASUZOFC-UHFFFAOYSA-N
rxn:4:215987:224835,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)n1,JCGDMNRAOCBAQU-UHFFFAOYSA-N
rxn:4:216146:223823,CN(C)S(=O)(=O)c1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2n1CCOC2,DNTGPCQMHLYAGA-UHFFFAOYSA-N
rxn:4:216252:225035,CC(=O)N1CCc2c(c(-c3cc(F)ccc3OC3CCCCC3)nn2C2CCOCC2)C1,FMANLZLJDQGZSA-UHFFFAOYSA-N
rxn:4:216252:225766,CCCOc1c(F)cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c(C)c1F,XGFLHLVXBNBPNF-UHFFFAOYSA-N
rxn:4:216252:225891,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cnc1C(OC)OC,KIRWUSNXYFUQGX-UHFFFAOYSA-N
rxn:4:216607:223507,Cn1nnc(C2CC2)c1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BXWNRLCNSMODME-UHFFFAOYSA-N
rxn:4:216917:223699,O=C1CCCCN1c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)s1,HYGNIMPLGAPUPE-UHFFFAOYSA-N
rxn:4:217020:223539,COc1ccc(-c2nnc(N3CCCCC3)s2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LARIJNSFBVDXKO-UHFFFAOYSA-N
rxn:4:217054:223695,O=S1(=O)CCCN1c1cnc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,YWJHZHPWHJOEML-UHFFFAOYSA-N
rxn:4:217086:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)nc3Cl)c(F)c2)CC1,MAWGXLTUARUHPZ-UHFFFAOYSA-N
rxn:4:217092:223492,Cc1cc(-c2ncn(C3CCCCC3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SIFWHBWJVCBXAZ-UHFFFAOYSA-N
rxn:4:217124:223823,Cn1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCOCC1,BALHGHQMFKFPRO-UHFFFAOYSA-N
rxn:4:217147:223608,Cc1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc(N2CCOCC2)n1,RXYUVGHBGNZHQK-UHFFFAOYSA-N
rxn:4:217172:223823,CC1CCCCN1c1ccnc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,JIWLHVHXEHJOAC-UHFFFAOYSA-N
rxn:4:217187:223588,Cc1cc(-c2cncc(N3CCN(C)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FMRSMILGRVDSPE-UHFFFAOYSA-N
rxn:4:217207:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3nc(C)cc(N4CCCCC4C)n3)cc2C)CC1,KEISBVOQGHYMAZ-UHFFFAOYSA-N
rxn:4:217894:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(C)nn4c(C(F)(F)F)c5c(nc34)CCC5)c2)CC1,YDCNRCZZDPLMPE-UHFFFAOYSA-N
rxn:4:218578:223884,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,NXOLJGWNTOYYPD-UHFFFAOYSA-N
rxn:4:218578:227001,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cccc(SCC4CC4)c3)cn2)CC1,OCYNDEGGCHWRTB-UHFFFAOYSA-N
rxn:4:218600:225557,COC(=O)C1(c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,PYDDTGGOZAJOOH-UHFFFAOYSA-N
rxn:4:218606:222888,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCNCC4)c(Cl)c3)cn2)C1,BGSJOTCQNQPABN-UHFFFAOYSA-N
rxn:4:218606:224761,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,ASKSSHIDKVIJJI-UHFFFAOYSA-N
rxn:4:218642:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)c2)C1,NCNCYFMYZWNPRC-UHFFFAOYSA-N
rxn:4:218655:223061,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,NJZKXXSRBWFUCR-UHFFFAOYSA-N
rxn:4:218695:226068,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4c(C)cc(C(C)(C)C)cc4C)c3C)CC2)cc1,VRYQYPRUFATNBL-UHFFFAOYSA-N
rxn:4:218711:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,NIYAFUQXIBBWRC-UHFFFAOYSA-N
rxn:4:218711:223776,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)CC2)CC1,SHCNKVFZDOOPRK-UHFFFAOYSA-N
rxn:4:218755:225716,COCCOCc1cc(F)ccc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,VMQXJFBAOOKXGK-UHFFFAOYSA-N
rxn:4:218778:224268,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc(Cl)cc32)cc(C)c1F,RBRBRDWQMWYJBY-UHFFFAOYSA-N
rxn:4:218778:225909,CCOc1ccc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)c(C(F)(F)F)c1,HRQZGQZXIOFJAJ-UHFFFAOYSA-N
rxn:4:218825:225361,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2cn(C3CCCC3)nc2C(F)(F)F)CC1,YQTWRIGBTJWHKY-UHFFFAOYSA-N
rxn:4:218877:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCCN(C(=O)CN3CCOC3=O)C2)nc1,HJDMDVAXAPPLQQ-UHFFFAOYSA-N
rxn:4:218944:227549,COC(=O)c1cc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,TXPAQCZRAXSTFF-UHFFFAOYSA-N
rxn:4:218945:228879,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccnn3C3COC3)cncc2[N+](=O)[O-])CC1,FXGBONBPLXLSLW-UHFFFAOYSA-N
rxn:4:218965:223637,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,GKGZVAIPHWRALO-UHFFFAOYSA-N
rxn:4:218992:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)c2)cn1,OSAREHZBAIEIJH-UHFFFAOYSA-N
rxn:4:218998:222943,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cn2)C1,USHYSCMJWOGLTA-UHFFFAOYSA-N
rxn:4:219011:223886,CN(c1cnc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,COLMYCYAUFXGBM-UHFFFAOYSA-N
rxn:4:219012:223649,CN(c1ncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,RHHQLCYUFNRTKF-UHFFFAOYSA-N
rxn:4:219026:226511,CC1CN(C(=O)c2c(-c3cc(Cl)cnc3OCC3CC3)cnn2C)CCN1C(=O)OC(C)(C)C,YCEMWXUOAYLJNM-UHFFFAOYSA-N
rxn:4:219033:223480,Cc1cc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BTKZPTLCXTWQEZ-UHFFFAOYSA-N
rxn:4:219047:223594,COc1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,ZLZSORVKVKUMRR-UHFFFAOYSA-N
rxn:4:219047:225758,COc1ccc(-c2ccncc2C(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,SIHTUUGRFSYVSK-UHFFFAOYSA-N
rxn:4:219051:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,FWEZDZXAHJXPNY-UHFFFAOYSA-N
rxn:4:219059:223532,CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)n2)cc1,ULNODYKHKHHUAA-UHFFFAOYSA-N
rxn:4:219062:223696,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1,LAGOXIVNCWQUKH-UHFFFAOYSA-N
rxn:4:219207:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)c2)cc1,KHPXIPSOGFQJCI-UHFFFAOYSA-N
rxn:4:219207:229166,CC(=O)n1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)cn1,XUDCLGQVCIPNBL-UHFFFAOYSA-N
rxn:4:219369:223056,Cn1c(-c2ccc(N3CCC(O)CC3)nc2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,KVRBAJUITXLZOQ-QGZVFWFLSA-N
rxn:4:219369:224817,Cn1c(-c2ccccc2S(=O)(=O)N2CCOCC2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,GWMOZFZKBVUSMU-QGZVFWFLSA-N
rxn:4:219370:225877,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc(Cl)cc3N3CCOCC3)n2)C1,ZEBBZOISOKZQNO-UHFFFAOYSA-N
rxn:4:219373:224991,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(C4CC4)nc(N4CCCC4)c3)n2)CC1,HULZYHRTUMSTDH-UHFFFAOYSA-N
rxn:4:219374:225923,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(OC4CCCC4)nc3Cl)nn2)CC1,QIYQDGHAUDJGDO-UHFFFAOYSA-N
rxn:4:219381:224327,CSc1ncc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,LLTKMVJGBPBNBW-UHFFFAOYSA-N
rxn:4:219384:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2)C1,XLLCQHSGRCHLSR-UHFFFAOYSA-N
rxn:4:219401:226652,Cc1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)n(C2CCCCO2)n1,MWTLUYJBFZLZSC-UHFFFAOYSA-N
rxn:4:219414:226283,CC(C)COc1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1,ICBWNFXXUHMDIX-UHFFFAOYSA-N
rxn:4:219432:224080,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(OCCCN4CCCCC4)cc3)C2)cn1C,JUQXZYUPMPHIET-UHFFFAOYSA-N
rxn:4:219452:224157,Cc1nc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,HBGRMYNFWKXROB-UHFFFAOYSA-N
rxn:4:219454:225220,Cc1c(-c2cnc(N3CCCCC3C)c(Cl)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,VSAMCUYSEXQECI-UHFFFAOYSA-N
rxn:4:219456:223818,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)n1,GGZJDAPAHFZCHP-UHFFFAOYSA-N
rxn:4:219457:225613,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccnc(OC3CCCCC3)c2)nn1,PPLHHPVIOVVZND-UHFFFAOYSA-N
rxn:4:219469:227689,CSc1ncc(-c2ccc(CC(F)(F)F)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,SFGRGGWCJYVBHN-UHFFFAOYSA-N
rxn:4:219487:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,WWNJBUJXVYEJPG-UHFFFAOYSA-N
rxn:4:219489:223525,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NJMONMDLDVCEDO-UHFFFAOYSA-N
rxn:4:219489:225758,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccncc1C(=O)OC(C)(C)C,HJGRXGMQHTZIHH-UHFFFAOYSA-N
rxn:4:219489:225828,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCCCC2)nc1,KXQZHKBQKJYUQT-UHFFFAOYSA-N
rxn:4:219498:228704,CCn1nc(C)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1C,FIQCZXASBUNROU-UHFFFAOYSA-N
rxn:4:219508:222956,Cc1ccc(-c2ccccc2C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c(C2CCCNC2)c1,FMMUINJLDPAFSG-UHFFFAOYSA-N
rxn:4:219515:226427,CC1CCN(c2csc(-c3nnc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)s3)c2)CC1,QSRPOAYUCOZWHS-UHFFFAOYSA-N
rxn:4:219538:225519,CCOC(=O)CCc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cc1,QHWUQZYUDUROMF-UHFFFAOYSA-N
rxn:4:219539:222799,Cc1cc(-c2ccccc2C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)ccc1S(=O)(=O)NC(C)(C)C,SJUFXTSQAKLDCY-UHFFFAOYSA-N
rxn:4:219539:223520,CC(c1ccc(-c2ccccc2C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,GRYLCOCHTWINLZ-UHFFFAOYSA-N
rxn:4:219551:223184,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(N5CCNCC5)nc4)cn3)CC2)C1=O,QDEMNXNPNRJLHU-UHFFFAOYSA-N
rxn:4:219551:223264,CNC(=O)c1cc(-c2cnc(OC3CCN(C4CCN(C(C)C)C4=O)CC3)nc2)ccc1F,OOFGQWCQZJMINW-UHFFFAOYSA-N
rxn:4:219551:226438,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCCC5)cc4F)cn3)CC2)C1=O,YERVNUPSFBYFSY-UHFFFAOYSA-N
rxn:4:219551:228629,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(C5CCC5)s4)cn3)CC2)C1=O,YRIVEMIVSADIFG-UHFFFAOYSA-N
rxn:4:219565:223834,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2)n1,QXJAITUFGNVUEO-UHFFFAOYSA-N
rxn:4:219653:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,JFRPJIBSIBARSS-UHFFFAOYSA-N
rxn:4:219689:223776,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)n3c2)CC1,NXLDMKQADDSYFH-UHFFFAOYSA-N
rxn:4:219706:222395,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)c(Cl)cc23)CC1,PGGUZQDLSNZARM-UHFFFAOYSA-N
rxn:4:219878:223835,Cc1cc(F)c(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,LWAUXGKFWVWTIB-UHFFFAOYSA-N
rxn:4:219880:225324,CSc1ncc(-c2cn(CCC(C)C)nc2C(F)(F)F)c(N2CCN(S(C)(=O)=O)CC2)n1,ZARQUUZOOGPTNO-UHFFFAOYSA-N
rxn:4:219950:224690,CSc1ncc(-c2ccc(CN3CCC(=O)CC3)cc2F)c(N2CCN(C3CCC3)CC2)n1,MEPLBUUHVNYELS-UHFFFAOYSA-N
rxn:4:219998:226619,Cc1nc(N2CCCC2)ncc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,LMGSOTXSMRTCAE-UHFFFAOYSA-N
rxn:4:220039:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3nnc4n3CN(C(=O)OC(C)(C)C)CC4)c2)C1,XDNJFEMHBIXZSZ-UHFFFAOYSA-N
rxn:4:220040:223480,Cc1cc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JYEOSSIENLZIMF-UHFFFAOYSA-N
rxn:4:220040:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1,GENHYBCDBRZSHI-UHFFFAOYSA-N
rxn:4:220041:224329,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)c2C1,GJXVIOPOYCZOPO-UHFFFAOYSA-N
rxn:4:220069:224462,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(C4CCN(C5CC5)CC4)cc3)n2CC1,MPVZBYRHDTUDQK-UHFFFAOYSA-N
rxn:4:220136:224684,O=C1CCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2)CC1,XJXZLKSFFAIMKZ-UHFFFAOYSA-N
rxn:4:220154:223993,Cc1cc(-c2ccccc2C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)ccc1S(=O)(=O)N1CCN(C)CC1,JVRFTSNZTJFWDI-UHFFFAOYSA-N
rxn:4:220430:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c2)CC1,MRDISPIAGIDTEK-UHFFFAOYSA-N
rxn:4:220461:223608,CC(C)C(=O)N1CCn2nc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)nc2C1,ARZYRYRJCOJPEF-UHFFFAOYSA-N
rxn:4:220537:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc2nc(N3CCN(C4CCC4)CC3)ncc2c1,GQQXVXMIBVVSNF-UHFFFAOYSA-N
rxn:4:221076:223527,CN1CCn2c(nnc2-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)C1,DVTIZEOCBHKOJA-UHFFFAOYSA-N
rxn:4:221088:223107,COc1ncc(-c2cnc(OCC3CCCN(Cc4nnc(C(F)(F)F)o4)C3)nc2)cc1NS(C)(=O)=O,ZGZFHTUYHGIXSN-UHFFFAOYSA-N
rxn:4:221114:223608,CCOc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,ISRUESQXKTYRMO-UHFFFAOYSA-N
rxn:4:221116:225956,CCOc1ccc(-c2cc(-n3cc(C)cn3)ncc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,LKJOPWAOVLJBND-UHFFFAOYSA-N
rxn:4:221157:224018,O=C(c1cncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c1)N1CCN(CCn2ccnc2)CC1,ZEBCGLWECZFAFN-UHFFFAOYSA-N
rxn:4:221165:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)C4)nc3)cc2Cl)CC1,KQEPEELZZYNKNU-UHFFFAOYSA-N
rxn:4:221186:222522,COc1ccc(-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,APOCMNLLWQUPNV-UHFFFAOYSA-N
rxn:4:221198:222631,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cn3)CC2)nn1,AAUDEEGEENYCMP-UHFFFAOYSA-N
rxn:4:221198:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cc2C1,KUOYIXOZJCYUGU-UHFFFAOYSA-N
rxn:4:221203:225977,Clc1cnc(N2CCOCC2)c(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,WJOGRCNPFNCISC-UHFFFAOYSA-N
rxn:4:221203:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,OCSGSJXMPHLBIK-UHFFFAOYSA-N
rxn:4:221205:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1)N1CCC(O)CC1,FCHJPVXXGPTCIH-UHFFFAOYSA-N
rxn:4:221205:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2)CC1,GAFDTENSIQZRIO-UHFFFAOYSA-N
rxn:4:221208:225297,Cc1cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,HMDKTNDGVUHQEQ-UHFFFAOYSA-N
rxn:4:221249:223671,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cnn4c3)cc2)CC1,DJRMSHKNTRZDSW-UHFFFAOYSA-N
rxn:4:221425:222717,Cc1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,OSDDHUKDPIANPS-UHFFFAOYSA-N
rxn:4:221442:225975,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccnc(N4CCOCC4)c3Cl)CC2)n1,LVTNHTKJOOPICW-UHFFFAOYSA-N
rxn:4:221455:226566,COC(=O)c1ccc(OC)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1,HVGJNRBGXDORAS-UHFFFAOYSA-N
rxn:4:221498:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2)CC1,SDTMHPWQXSFYLD-UHFFFAOYSA-N
rxn:4:221498:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)c1,QUELGRITBGCGHP-UHFFFAOYSA-N
rxn:4:221579:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(-n3c(-c4nonc4[N+](=O)[O-])noc3=O)ccc2F)CC1,YLVWZLAQZYSTSM-UHFFFAOYSA-N
rxn:4:221723:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c2)CC1,LEQPHIKRPHKFLZ-UHFFFAOYSA-N
rxn:4:221726:225297,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)CC1,CKEYGJVIQWKFJZ-UHFFFAOYSA-N
rxn:4:221730:223669,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,QHAWDYUGJSEOBS-UHFFFAOYSA-N
rxn:4:221730:223823,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,VJZVTYIYBQFTBY-UHFFFAOYSA-N
rxn:4:221827:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(-c4ccnc5nc(N6CCOCC6)nn45)cc3)c2)CC1,UGLQMCMPWFREMY-UHFFFAOYSA-N
rxn:4:221889:223482,O=[N+]([O-])c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn2nnnc12,XZGGQYSTWHGMRQ-UHFFFAOYSA-N
rxn:4:221971:223933,CC(C)(C)OC(=O)n1c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc2cc(F)ccc21,XJSTVKZTMPNGNO-UHFFFAOYSA-N
rxn:4:221972:224826,CCOC(=O)c1cc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)cnc1C(F)(F)F,HYVQVNWVYKYYJK-UHFFFAOYSA-N
rxn:4:221972:225233,CC1CCCN(c2cc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)cnc2Cl)C1,WTMDACLKCAMOBA-UHFFFAOYSA-N
rxn:4:221978:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cnc(N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)nc1,ZZLJQJIUJJDNLE-UHFFFAOYSA-N
rxn:4:221980:224286,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCN6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,RCRDYKZZEYUCFQ-UHFFFAOYSA-N
rxn:4:221980:224759,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)c4)sc3n2)CC1,MCURGUAWIIBPMF-UHFFFAOYSA-N
rxn:4:222039:227464,CCCCSc1ncc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)cn1,FKTIDJCZDITXLE-UHFFFAOYSA-N
rxn:4:222053:224198,CCc1cc(N2CCN(c3ncc(-c4ccc(CN5CCN(CC)CC5)cc4F)cn3)CC2)nc(C(C)(C)C)n1,UDMXQTPNGQBYNI-UHFFFAOYSA-N
rxn:4:222062:225201,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCC5)c(F)c4F)cc3)CC2)n1,MDUYFQVCFXELBY-UHFFFAOYSA-N
rxn:4:222062:225452,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5C=CCCC5)cc4)cc3)CC2)n1,OMNDLHDXSDYXFB-UHFFFAOYSA-N
rxn:4:222062:225708,COc1nc2ccc(Cl)cc2cc1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,PDBCQPBDVNARJX-UHFFFAOYSA-N
rxn:4:222062:225823,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(C)C)cc(C(F)(F)F)c4)cc3)CC2)n1,QPADAJMPUDJCNA-UHFFFAOYSA-N
rxn:4:222062:226060,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(C5CC5)c4)cc3)CC2)n1,QSHOAXSJIAGHFU-UHFFFAOYSA-N
rxn:4:222062:226889,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C(F)(F)F)c4F)cc3)CC2)n1,IGIHNZYLTHEEEY-UHFFFAOYSA-N
rxn:4:222062:228449,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(F)cc1Cl,RVEAPGOWNNYXPS-UHFFFAOYSA-N
rxn:4:222097:223489,Cc1cn2nc(OCC3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cn4)CC3)ccc2n1,VVTFOMIQDPZCQW-UHFFFAOYSA-N
rxn:4:222148:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5ccc(C(F)(F)F)nn5)CC4)nc3)cc2C)CC1,RBQUMRCVCTZOFZ-UHFFFAOYSA-N
rxn:4:222371:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCN(c5ccc(-n6ccc(C)n6)nn5)CC4)nc3)c2)CC1,NWHYIUVCQYZAQA-UHFFFAOYSA-N
rxn:4:222394:176515,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2C(F)(F)F)cc1,RFGJLVOUUSPKLC-WKILWMFISA-N
rxn:4:222511:178949,O=C(NC1CCCCC1)c1cc(-c2ccc(C(F)(F)C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1,KDBKAKKGGMCOGM-UHFFFAOYSA-N
rxn:4:222513:219832,COCn1nc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)nc1N1CCOCC1,SKSGZSUTFHNSFR-UHFFFAOYSA-N
rxn:4:222741:185092,COC1CCN(CCOc2cccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CC1,CUTCULWYLRDJEE-UHFFFAOYSA-N
rxn:4:222741:185316,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(C3CC3)c2)C1,BCIWCNDSKOOTPJ-UHFFFAOYSA-N
rxn:4:222750:204109,O=C(NCc1ccco1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,DLGQPDAQWHMCNR-UHFFFAOYSA-N
rxn:4:223540:206151,CCc1cc(C(C)C)nc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)n1,ZMCAJIXBBAWEKG-UHFFFAOYSA-N
rxn:4:223540:207282,COC(=O)c1nn2c(c1-c1cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc1OC)CCC2,JFPKKNTZUFPKGA-UHFFFAOYSA-N
rxn:4:223541:205639,COC1(c2nnc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)s2)CCOC1,XYYJIAIVHFDXSR-UHFFFAOYSA-N
rxn:4:223590:217112,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CCCCC2)nn1,WYVBIFXSRTXHMN-UHFFFAOYSA-N
rxn:5:176853:225514:226030,COC(=O)c1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2cc(F)c(OC)c(C(F)(F)F)c2)cc1OC,RRDSJCARNFQREM-UHFFFAOYSA-N
rxn:5:176853:225655:225980,COC(=O)c1cc(-c2cncc(N3CCC(C)CC3)c2)c(-c2cc(N3CCOCC3)ncc2F)cc1OC,NIZKKLZZCUILIO-UHFFFAOYSA-N
rxn:5:176871:225849:223001,COC(=O)c1cc(-c2cc(C3CCCNC3)ccc2F)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,AMGBZMUVDVKCKV-UHFFFAOYSA-N
rxn:5:177184:225601:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2(C#N)CCC2)cc1F,PRBFNZDGMPBMIZ-UHFFFAOYSA-N
rxn:5:177192:223007:225934,CCOC(=O)c1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)c(-c2cc(F)cc(C3CCNCC3)c2)c1C,KRJNKWTUTIXTSH-UHFFFAOYSA-N
rxn:5:177891:226654:223089,CC1CCN(c2nc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccc4[nH]c(C(F)(F)F)nc4c3)cs2)CC1,FFIQXJXMOGMQME-UHFFFAOYSA-N
rxn:5:177891:226900:227542,COC(=O)c1cc(F)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,YEXIFNHVYSTXIZ-UHFFFAOYSA-N
rxn:5:177891:226900:228193,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCCC2)c1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,IZONSHNXWRYVHR-UHFFFAOYSA-N
rxn:5:177891:226901:227386,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCCCC2)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,LVLUUURSTXPFDT-UHFFFAOYSA-N
rxn:5:177891:226901:228416,COc1cc(F)cc(F)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,BXGHYYFGRNGNDK-UHFFFAOYSA-N
rxn:5:177891:226901:228712,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1CCC1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,ITIRKGQHGWIEHQ-UHFFFAOYSA-N
rxn:5:177891:226901:228872,COC(=O)c1sccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,YLJFLOOKAJMRRR-UHFFFAOYSA-N
rxn:5:177891:227354:226900,CC(C)Oc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)ccc1F,PCIXFUSEYYERPK-UHFFFAOYSA-N
rxn:5:177891:227673:226901,CC(F)(F)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1F,UPUBLAASIYHXQG-UHFFFAOYSA-N
rxn:5:177891:228234:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1c(C2CC2)ccnc1F,XKVNFKWCXXOIRF-UHFFFAOYSA-N
rxn:5:177891:228653:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cnn2c1CCCC2,WXNXEMBFAGYMJM-UHFFFAOYSA-N
rxn:5:177891:228972:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cc(C(F)(F)F)cs1,KIVJXNCFHVSKPY-UHFFFAOYSA-N
rxn:5:177970:225394:226464,COc1ccc2c(c1-c1cc(OCC3CCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,INHJGMAXWHDGEH-UHFFFAOYSA-N
rxn:5:177971:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCC3)c1)OCCO2,BIBWXTPRIJZXHW-UHFFFAOYSA-N
rxn:5:178119:226148:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1c(C)cc(C(=O)OC(C)(C)C)cc1-c1cccc(C#C[Si](C)(C)C)c1,MGEWJARDUPDMCQ-UHFFFAOYSA-N
rxn:5:178119:226188:225811,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,IDQQGQSPGZCWAS-UHFFFAOYSA-N
rxn:5:178122:226060:226464,COc1ccc2c(c1-c1cc(-c3cc(C4CC4)cc(C4CC4)c3)ccc1COC1CCCCO1)OCCO2,XQMSGXALEFSXRV-UHFFFAOYSA-N
rxn:5:178224:225394:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,VLVZNBHHNAXJJW-UHFFFAOYSA-N
rxn:5:178226:225394:226464,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,AJLOKGDWRKNMQX-UHFFFAOYSA-N
rxn:5:178226:226060:226464,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1cc(C3CC3)cc(C3CC3)c1)OCCO2,YNSFOUHGDPOCET-UHFFFAOYSA-N
rxn:5:178314:227767:227767,CCn1cc(-c2ccc(-c3cn(CC)nc3C(F)(F)F)c(O[Si](C)(C)C(C)(C)C)c2)c(C(F)(F)F)n1,QPDRQSVIXGSYHC-UHFFFAOYSA-N
rxn:5:178353:225634:227656,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCOCC4)cs3)c(C)c2)c(C)cc1-c1cnc(N2CCCCC2)c(C)c1,HRRLIHDWKFDELD-UHFFFAOYSA-N
rxn:5:178368:226067:226147,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3c(C)cc(OC(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)cc1,JCVOSALITQGORM-UHFFFAOYSA-N
rxn:5:178368:226067:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5=CCCCC5)cc4)cc3C)cc2C)cc1C,AZCWSLYMPVXWOW-UHFFFAOYSA-N
rxn:5:178368:226067:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)cc1,NTAVZIYWTHKZQY-UHFFFAOYSA-N
rxn:5:178368:226151:226067,Cc1cc(OC(C)C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5=CCCCC5)cc4)c(C)c3)cc2C)cc1C,KDYWKFXHNFCEIG-UHFFFAOYSA-N
rxn:5:178368:227071:225407,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5CCCCCC5)cc4)c(C)c3)cc2C)c(C)c1,VIFJOYYHWHTIPU-UHFFFAOYSA-N
rxn:5:178467:223142:227518,CCOC(=O)C1=Cc2cc(-c3ccc(OC)c(C#N)c3F)cc(-c3ccc(C4CCCNC4)nc3)c2OC1,BJSMDBXHVHWPRK-UHFFFAOYSA-N
rxn:5:178568:225394:226464,COc1ccc2c(c1-c1c(Cc3ccc(C4CC4)cc3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c3c1OCC3)OCCO2,WJWDSEXONHYDKK-UHFFFAOYSA-N
rxn:5:178568:226058:223010,CC(C)c1cccc(C(C)C)c1-c1cc(Cc2ccc(C3CC3)cc2)c(-c2ccc(C3(O)CCOCC3)cc2)c2c1CCO2,RNSUBQUCSQIIPU-UHFFFAOYSA-N
rxn:5:178568:226464:225394,COc1ccc2c(c1-c1cc(Cc3ccc(C4CC4)cc3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c3c1CCO3)OCCO2,OAHOJKPPUDEXNT-UHFFFAOYSA-N
rxn:5:180022:225394:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,MHFYHWULAGMNSE-UHFFFAOYSA-N
rxn:5:180022:225394:226060,COc1c(-c2cc(C3CC3)cc(C3CC3)c2)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,FSGDIUKUXCCZFS-UHFFFAOYSA-N
rxn:5:180022:225407:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,VVEYKOLIISDMQI-UHFFFAOYSA-N
rxn:5:180022:226060:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2cc(C3CC3)cc(C3CC3)c2)c1C1OCCO1,SNSXYCNYCISWMH-UHFFFAOYSA-N
rxn:5:180022:226064:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(C3CCCCC3)cc2)c1C1OCCO1,GISQCSRQBXRTSV-UHFFFAOYSA-N
rxn:5:180022:226146:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(SC3CCCC3)cc2)c1C1OCCO1,ZPRJVOBRDSORET-UHFFFAOYSA-N
rxn:5:180202:225926:225934,O=S(=O)(c1ccc(-c2ccc(OC3CCOCC3)c(-c3cnc(C(F)(F)F)c(C4CC4)c3)c2)cc1)N1CCC1,ASVFHEGFXFLGHC-UHFFFAOYSA-N
rxn:5:180297:226837:227532,CCOc1ccc(-c2cc(C3(C)OCCO3)c(-c3c(C)nn(CC(F)(F)F)c3C)cc2OC)c(F)c1F,YWEMDYQZMNPWQG-UHFFFAOYSA-N
rxn:5:180377:223010:223010,CC(C)c1cc(-c2ccc(C3(O)CCOCC3)cc2)cc(C(C)C)c1-c1ccc(C2(O)CCOCC2)cc1,BIISRFCWAIUBKC-UHFFFAOYSA-N
rxn:5:180421:225394:226464,COc1ccc2c(c1-c1ccc(CC3CCCCC3)cc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,HUIMBQXXIFMSET-UHFFFAOYSA-N
rxn:5:180422:225394:226464,COc1ccc2c(c1-c1cc(CC3CCCCC3)ccc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,SVHHMEXDWCFKLD-UHFFFAOYSA-N
rxn:5:182954:226835:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(C)c1-c1cc(C(F)(F)F)nn1C(C)C)COC2=O,VKOGDXZWYADYHU-UHFFFAOYSA-N
rxn:5:183216:226469:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)cc2c1OC(C)(C)CC2=O,WWLFXZWOQSHXRM-UHFFFAOYSA-N
rxn:5:183216:226686:227611,Cc1cnn(C2CCCCO2)c1-c1cc2c(c(-c3ccnn3C3CCCCO3)c1)OC(C)(C)CC2=O,BIGPOYAQGNZOSM-UHFFFAOYSA-N
rxn:5:183217:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3cc(C(F)(F)F)nn3C(C)C)c1)OC(C)(C)CC2=O,CCMAQYXTCYLULO-UHFFFAOYSA-N
rxn:5:188079:225832:226033,CCOC(=O)c1nc(-c2cc(OC)c(F)c(C(F)(F)F)c2)sc1-c1c(C)nn(C2CCCCO2)c1C,HZVDDMAWPQVYKR-UHFFFAOYSA-N
rxn:5:188448:223062:226432,COC(=O)c1cc(-c2ccc(C3CCCC3)nc2F)c([N+](=O)[O-])cc1-c1cnc(C2CCNCC2)cc1F,UHCIJWJYTYTCJN-UHFFFAOYSA-N
rxn:5:188632:225880:226029,CCOc1c(F)c(F)c(-c2cc(-c3cc(C4CCOCC4)ncc3F)c(OC)nc2C(=O)OC)c(F)c1F,HLSRDOZPAVLMAY-UHFFFAOYSA-N
rxn:5:188632:226652:226836,COC(=O)c1nc(OC)c(-c2cc(C)nn2C2CCCCO2)cc1-c1cn(C(C)C)nc1C(F)(F)F,ZBPAIMGUHXFSNE-UHFFFAOYSA-N
rxn:5:188632:226837:225683,COC(=O)c1nc(OC)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1-c1ccc(C2CCCOC2)nc1C,FCJNQZZINBNJNR-UHFFFAOYSA-N
rxn:5:188633:226837:225881,COC(=O)c1c(-c2c(C)nn(CC(F)(F)F)c2C)cnc(OC)c1-c1ccc(C2CCOCC2)nc1F,GPFJRTJVDBMWLF-UHFFFAOYSA-N
rxn:5:188867:225834:225980,CC(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ncc1-c1cc(N2CCCCC2)ncc1F,SYFZRPCOMORFLF-UHFFFAOYSA-N
rxn:5:188867:225943:226137,CC(C)OC(=O)c1cc(-c2cc(C3CC3)cnc2C(C)C)ncc1-c1ccc(C(=O)N2CCOCC2)s1,UBNINNQPODVYNT-UHFFFAOYSA-N
rxn:5:188868:222405:222404,CC(C)OC(=O)c1ccnc(-c2ccc(C3NC(=O)NC3=O)cc2)c1-c1cccc(C2NC(=O)NC2=O)c1,DWPBKFORRRPPBN-UHFFFAOYSA-N
rxn:5:188868:225592:222405,CC(C)OC(=O)c1ccnc(-c2cccc(C3NC(=O)NC3=O)c2)c1-c1cc(F)ccc1CN1CCCC1,HFVUBGWFHLRUCT-UHFFFAOYSA-N
rxn:5:188876:222988:225936,CON(C)C(=O)c1cccc(-c2cc(C)nc(C3CCNCC3)c2)c1-c1cc(C(F)(F)F)cnc1C(C)C,AKBNGFFAZOAHMQ-UHFFFAOYSA-N
rxn:5:188876:225982:225831,CON(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cnc(N2CCOCC2)c(C)c1,NILUVMWEMBGQOS-UHFFFAOYSA-N
rxn:5:188930:223200:223000,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNC3)cc2)cc1-c1ccc(C2CCCNC2)c(F)c1,KZLWYFPUACBSNG-UHFFFAOYSA-N
rxn:5:189079:223062:225936,CCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(C)C)c(-c2cnc(C3CCNCC3)cc2F)c1,FWSLCGVIWJOCRX-UHFFFAOYSA-N
rxn:5:189207:222994:229091,CC(=O)c1occc1-c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1C(=O)ON1C(=O)CCC1=O,PFNFPLLZSUZRGR-UHFFFAOYSA-N
rxn:5:189207:223346:226899,O=C1NCc2cc(-c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,RGBDIWLKTNBNOH-UHFFFAOYSA-N
rxn:5:189207:225450:229091,CC(=O)c1occc1-c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,LUSULNOFNSVIHR-UHFFFAOYSA-N
rxn:5:189207:225450:229168,COc1nc(C)sc1-c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,IGJCMWSKDFYGBI-UHFFFAOYSA-N
rxn:5:189207:225620:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC3CCOCC3)cc2)ccc1-c1cccc2c1C(=O)CCC2,JIRZPBBACIIUOJ-UHFFFAOYSA-N
rxn:5:189207:226319:228174,CC(=O)Oc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,HNSITSPFCDBBGA-UHFFFAOYSA-N
rxn:5:189207:226411:223362,C/C(=N\O)c1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,HMHIZAULVWAGMS-NDZAJKAJSA-N
rxn:5:189207:226468:226899,CN1C(=O)COc2c(-c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(C(=O)ON4C(=O)CCC4=O)c3)cccc21,VFZUVWVRWFFTTP-UHFFFAOYSA-N
rxn:5:189207:226966:226333,O=C1CCCc2ccc(-c3ccc(-c4cccc(C(=O)N5CCC5)c4)c(C(=O)ON4C(=O)CCC4=O)c3)cc21,OHAZLTCISNDVGC-UHFFFAOYSA-N
rxn:5:189207:226980:227569,COc1ccc(F)c(OC)c1-c1ccc(-c2cccc3c2C(=O)CCC3)cc1C(=O)ON1C(=O)CCC1=O,OZTNHNGJYISPJP-UHFFFAOYSA-N
rxn:5:189207:226980:228002,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1sccc1C1CCCC1,JYUHSNAUSBHCRF-UHFFFAOYSA-N
rxn:5:189207:227066:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)C3CC3)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,VIPIWXDDYPLKNT-UHFFFAOYSA-N
rxn:5:189207:227126:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOC3)cc2)ccc1-c1cccc(N2CCOCC2=O)c1,FSWDDVZZKMYEIB-UHFFFAOYSA-N
rxn:5:189207:227679:227680,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1cccc2c1OC(F)(F)O2,MIVSKLNYAUIJPB-UHFFFAOYSA-N
rxn:5:189208:223062:228964,COC(=O)c1ncc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)s1,SIKHZWBOJYAENA-UHFFFAOYSA-N
rxn:5:189208:225407:229089,CC(=O)c1sccc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,MGXPDXUZYXNQCL-UHFFFAOYSA-N
rxn:5:189208:225455:229168,COc1nc(C)sc1-c1cc(-c2cc(N3CCCCC3)ccc2C)ccc1C(=O)ON1C(=O)CCC1=O,FSDYDLHMEYOLCZ-UHFFFAOYSA-N
rxn:5:189208:225499:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1cccc2c1COC2=O,WRDYQHAOWYCFLD-UHFFFAOYSA-N
rxn:5:189208:225583:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1cccc(C(=O)N2CCC2)c1,DQFUOBMUFUSJHY-UHFFFAOYSA-N
rxn:5:189208:225871:228174,CC(=O)Oc1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,PSXBITODDROWRS-UHFFFAOYSA-N
rxn:5:189208:226415:228475,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)cc1-c1cccc([N+](=O)[O-])c1F,LLUREBJYYUBALP-UHFFFAOYSA-N
rxn:5:189208:226466:225616,CN1C(=O)COc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C(=O)N4CCCC4)c3)ccc21,BRNIPKGAOMTSJM-UHFFFAOYSA-N
rxn:5:189208:226966:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccc3c(c2)C(=O)CCC3)ccc1C(=O)ON1C(=O)CCC1=O,PSFRQGXCJJCQBG-UHFFFAOYSA-N
rxn:5:189208:227452:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3OCCO3)c2)cc1-c1cccc(N2CCOCC2)c1,CQQWMXJWBNONGX-UHFFFAOYSA-N
rxn:5:189208:227492:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(OC)ncnc2C2CC2)ccc1C(=O)ON1C(=O)CCC1=O,GEWZYRXJULOYRY-UHFFFAOYSA-N
rxn:5:189208:227501:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)cc1-c1ccc(C2CCOCC2)s1,RFDUOIPLXJGNCT-UHFFFAOYSA-N
rxn:5:189208:227505:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1cccc(C(=O)N2CCC2)c1,VROUFUNWCBSADT-DTQAZKPQSA-N
rxn:5:189208:227546:226415,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3N3CCOCC3)c2)c1F,MTKJKFHKZNGDGF-UHFFFAOYSA-N
rxn:5:189208:227800:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(F)nc(C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,SPFPMTLTXJMIJR-UHFFFAOYSA-N
rxn:5:189208:228077:225873,O=C1OCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(N5CCOCC5=O)c4)c3)cc21,HYBMPKVRWAKGBO-UHFFFAOYSA-N
rxn:5:189208:228079:226064,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1ccc(C2CCCCC2)cc1,FPLAPXXGDLLTFJ-UHFFFAOYSA-N
rxn:5:189208:228603:225618,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(OC4CCCCO4)c3)c2)c1,KWKUIYNVDLEDSH-UHFFFAOYSA-N
rxn:5:189208:228653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn3c2CCCC3)ccc1C(=O)ON1C(=O)CCC1=O,GHAMUPCUMKRKJS-UHFFFAOYSA-N
rxn:5:189208:229083:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C(C)C)o2)ccc1C(=O)ON1C(=O)CCC1=O,LOURREWYOQSHIL-UHFFFAOYSA-N
rxn:5:189209:223010:228894,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3(O)CCOCC3)cc2)cc(-c2ccccc2[N+](=O)[O-])c1,MTAWWOUCVQWPRQ-UHFFFAOYSA-N
rxn:5:189209:226185:226774,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)cc(-c2ccc(C3CCOCC3)cc2)c1,HQYIUGWTZLSCTI-UHFFFAOYSA-N
rxn:5:189209:227081:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCC3)cc2)cc(-c2cccc(N3CCOCC3=O)c2)c1,RWYITIPEUMHIEN-UHFFFAOYSA-N
rxn:5:189209:228077:227656,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)OC3)cc(-c2cc(N3CCOCC3)cs2)c1,PHZWRKHYJHWPKU-UHFFFAOYSA-N
rxn:5:189209:228079:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2cccc3c2COC3=O)c1,YQYSRUKQGQVUFX-UHFFFAOYSA-N
rxn:5:189210:223062:226136,Cc1cc(C#N)c(-c2cccc(-c3cnc(C4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cc1C1CC1,BJOWPRWPZUSOHG-UHFFFAOYSA-N
rxn:5:189210:225620:228602,CC(=O)c1ccc(-c2cccc(-c3ccc(OC4CCOCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1,MARJYYDVOVLFFM-UHFFFAOYSA-N
rxn:5:189210:225832:228866,COCc1noc(C)c1-c1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(=O)ON1C(=O)CCC1=O,BWPPOQAWJJLCHY-UHFFFAOYSA-N
rxn:5:189210:225871:223427,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccccc1/C=N/O,RITTXRZRGFDWIB-MUFRIFMGSA-N
rxn:5:189210:227203:227562,COc1ccc(F)c(-c2cccc(-c3ccc4c(c3)OCCCO4)c2C(=O)ON2C(=O)CCC2=O)c1OC,TWQKMXVVLUJSLJ-UHFFFAOYSA-N
rxn:5:189210:227203:227680,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc3c(c2)OCCCO3)cccc1-c1cccc2c1OC(F)(F)O2,PZVANMQINDYFMD-UHFFFAOYSA-N
rxn:5:189210:227207:227656,O=C1CCOc2c1cccc2-c1cccc(-c2cc(N3CCOCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,YNAAENJPOQEYHR-UHFFFAOYSA-N
rxn:5:189210:228071:226771,COC(=O)c1cc(F)c(F)cc1-c1cccc(-c2cccc3c2OCCO3)c1C(=O)ON1C(=O)CCC1=O,AMQKYXUGIZXLER-UHFFFAOYSA-N
rxn:5:189210:228867:227657,CCc1nc(OC)c(-c2cccc(-c3ccc(N4CCOCC4)s3)c2C(=O)ON2C(=O)CCC2=O)s1,LQDFDMMQQKBHMV-UHFFFAOYSA-N
rxn:5:189210:228872:227657,COC(=O)c1sccc1-c1cccc(-c2ccc(N3CCOCC3)s2)c1C(=O)ON1C(=O)CCC1=O,IMXJMWDYLOSTDZ-UHFFFAOYSA-N
rxn:5:189211:222993:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCCCC3O)c2)c1-c1cccc(N2C(=O)C=CC2=O)c1,JKJMHZGZHZBDRN-UHFFFAOYSA-N
rxn:5:189211:225832:228078,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc2c(c1)COC2=O,NFTGOFOZXMIMCG-UHFFFAOYSA-N
rxn:5:189211:225871:225617,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc(OC2CCCCO2)cc1,SBYNSTAFWUQXLF-UHFFFAOYSA-N
rxn:5:189211:225871:227967,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1cccnc1C1CCC1,WHKKKGDTYHVGQN-UHFFFAOYSA-N
rxn:5:189211:226155:228077,CC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)C(=O)OC3)cc(C2CC2)c1,SGUNLQKHSDRAMA-UHFFFAOYSA-N
rxn:5:189211:226185:225987,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCOCC3)cc2)c1-c1ccc(N2CCCS2(=O)=O)cc1,PIJKWHARPSHVPA-UHFFFAOYSA-N
rxn:5:189211:226415:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1ccc(N2CCOCC2)cc1,RREGCXFJZTWKOM-UHFFFAOYSA-N
rxn:5:189211:226765:228071,COC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccc3c2OCCO3)c(F)c1F,CEJRNHQSRZWRIG-UHFFFAOYSA-N
rxn:5:189211:226899:227197,CN1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1=O,LXKMBUDHYSVKOW-UHFFFAOYSA-N
rxn:5:189211:227501:226643,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc(N2CCOCC2)nc1,YMURXYQAGGCGJE-UHFFFAOYSA-N
rxn:5:189211:227505:226183,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1-c1cnccc1C1CCCCC1,MYKZOKXDRAQGOD-FBMGVBCBSA-N
rxn:5:189211:228077:226764,COC(=O)c1c(F)ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)C(=O)OC3)c1F,MSHSGFJSCHQGNI-UHFFFAOYSA-N
rxn:5:189211:228629:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCC3)s2)c1-c1ccccc1C1CCOCC1,LLPZJOYBIOBBGZ-UHFFFAOYSA-N
rxn:5:189211:228631:226452,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccsc2C2CCC2)c1-c1ccc(C2OCCCO2)cc1,PLHXPQYJWRTPHT-UHFFFAOYSA-N
rxn:5:189212:222982:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(CN2CC[C@@H](O)C2)cc1,CEQVXVSEYCHUNG-OAQYLSRUSA-N
rxn:5:189212:223063:225600,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccnc2OC2CCCCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,FYECOLRLAFOHMA-UHFFFAOYSA-N
rxn:5:189212:225450:226466,CN1C(=O)COc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc(C(=O)C4CCCC4)cc3)ccc21,PIVBIWZZNOFVAQ-UHFFFAOYSA-N
rxn:5:189212:225684:227525,CCc1cnc(C(F)F)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(C2CCOCC2)nc1C,SWUOHVQWSZHTAC-UHFFFAOYSA-N
rxn:5:189212:225870:223140,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C3CCCNC3)c2)c(-c2cc(F)cc(N3CCOCC3)c2)c1,HKPGYVYXKNUXJZ-UHFFFAOYSA-N
rxn:5:189212:226177:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2ccnc(C3CCCCC3)c2)c1,HZSWFDSQQWEJMB-UHFFFAOYSA-N
rxn:5:189212:226182:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2cccnc2C2CCCCC2)c1,HIDZQFLBNQRUEI-UHFFFAOYSA-N
rxn:5:189212:226186:227679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2ccccc2C2CCOCC2)c1,VXGSRJLXBHSVNR-UHFFFAOYSA-N
rxn:5:189212:226588:226318,CN(C)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(OC3CCC3)ncc2F)cc(C2CC2)n1,BZRUXKKIDSGVAB-UHFFFAOYSA-N
rxn:5:189212:226899:227197,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1=O,SXJQTXYKVMIZFO-UHFFFAOYSA-N
rxn:5:189212:227103:228868,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2sccc2C2CCCCC2)s1,BUHDYSUCUZBOJZ-UHFFFAOYSA-N
rxn:5:189212:227205:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cccc3c2OCCCO3)c1,QTCJQIFXVZGOPW-UHFFFAOYSA-N
rxn:5:189212:227501:227381,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc(C3CCCC3)nc2)c(-c2ccc(C=C[N+](=O)[O-])cc2)c1,WPZRMRAZAPVKHT-UHFFFAOYSA-N
rxn:5:189212:228077:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc2c(c1)C(=O)OC2,ILUZDZJXHQJRGT-UHFFFAOYSA-N
rxn:5:189212:228078:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc3c(c2)COC3=O)c1,YZPGBOHGYMQVMR-UHFFFAOYSA-N
rxn:5:189212:228361:223141,CN(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cncc(C3CCNCC3)c2)c(F)cn1,SWASZABLPZTMSL-UHFFFAOYSA-N
rxn:5:189212:228623:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2sccc2C2CCC2)c1,RFKHSMMXIPBJJU-UHFFFAOYSA-N
rxn:5:189212:229011:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(C3CC3)s2)c1,KRHAVUDILXPCOX-UHFFFAOYSA-N
rxn:5:189448:223002:227081,COC1CN(C(=O)c2ccc(-c3ccc(C4CCNCC4)cc3F)c(-c3ccc(N4CCCC4)cc3)c2)C1,BEAXSFVOJQNIOB-UHFFFAOYSA-N
rxn:5:189448:225982:226187,COC1CN(C(=O)c2ccc(-c3cnc(N4CCOCC4)cc3F)c(-c3cccc(C4CCOCC4)c3)c2)C1,IMYTUYSYRLYTBA-UHFFFAOYSA-N
rxn:5:189449:225634:227515,COC1CN(C(=O)c2cc(-c3cc(OC(C)C)cnc3F)ccc2-c2cnc(N3CCCCC3)c(C)c2)C1,SIZYWCYQAPOWMP-UHFFFAOYSA-N
rxn:5:189449:225679:223061,COC1CN(C(=O)c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(N3CCCCC3)cc2F)C1,CSFIPCAAKGBNFI-UHFFFAOYSA-N
rxn:5:189449:226794:225930,COC1CN(C(=O)c2cc(-c3cc(C)ccc3S(=O)(=O)N(C)C)ccc2-c2cnc(N3CCSCC3)nc2)C1,BAMKPUSVXKFFKO-UHFFFAOYSA-N
rxn:5:189540:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(CN3CC(OC)C3)c1)OCCO2,GHEGIXKFWXKXMM-UHFFFAOYSA-N
rxn:5:189662:227119:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ncc(-c2cc(C3CCCCC3)cs2)cc1OCC1CCOCC1,MDRCOMLTXODMQM-UHFFFAOYSA-N
rxn:5:189665:226837:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)cnc1OCC1CCOCC1,HRDJSIBHXNMGLM-UHFFFAOYSA-N
rxn:5:189668:226835:228497,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2ccnn2CC(F)(F)F)ccc1CC(=O)N1CCCC1,QLWYUPLROBUYFW-UHFFFAOYSA-N
rxn:5:189669:226686:223389,Cc1cnn(C2CCCCO2)c1-c1ccc(/C=N/S(=O)C(C)(C)C)cc1-c1c(C)n[nH]c1C(F)(F)F,DLWKNRFIQMJOII-AMVVHIIESA-N
rxn:5:189826:223063:228870,COC(=O)c1csc(-c2ccc(CC(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c1,WSEOUYMTNQPDSN-UHFFFAOYSA-N
rxn:5:189826:228149:225871,COC(=O)c1ccccc1-c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1CC(=O)N1CCOCC1,DWQIXTXMYKWPJG-UHFFFAOYSA-N
rxn:5:189829:225507:228304,COC(=O)C1CCc2cc(-c3cc(C(=O)N4CCCC4)cc(-c4cnc(OC(C)C)nc4)c3OC)ccc21,ODNDIZICLNLUHW-UHFFFAOYSA-N
rxn:5:189829:225821:223066,COC(=O)c1n[nH]c2cc(-c3cc(C(=O)N4CCCC4)cc(-c4ccc(C5CC5)c(C(F)(F)F)c4)c3OC)ccc12,IJQXVIUEALCZED-UHFFFAOYSA-N
rxn:5:189829:226054:223389,COc1c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(C(=O)N2CCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,MGZJQCGZRFZSGP-UHFFFAOYSA-N
rxn:5:190001:226848:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(OC)nc1C(F)(F)F,WJODMEXSBKLJCI-UHFFFAOYSA-N
rxn:5:190128:227705:227296,COc1cc(C(F)F)ncc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(OC2CCC2)nc1,ALTUYGHTOKRGKI-UHFFFAOYSA-N
rxn:5:190131:226845:228653,COc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cnn3c2CCCC3)c1OC,JCADYNILCANCSP-UHFFFAOYSA-N
rxn:5:190132:227907:226710,CCC(C)c1cncc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(F)c([Si](C)(C)C)c3F)c2)c1,ABJSJGKJZTTZIC-UHFFFAOYSA-N
rxn:5:190132:228236:226663,COC1CCN(C(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2-c2ccc(N3CCSCC3)nc2)CC1,KKBFGASOFOHMQU-UHFFFAOYSA-N
rxn:5:190177:222982:226900,O=C1CC(Sc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1,YHWFZXZVBJEYBA-ZZTVPSNHSA-N
rxn:5:190194:225394:228114,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)ccc1C#N,SEVXZCOMARRCTJ-UHFFFAOYSA-N
rxn:5:190194:225394:228118,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1C#N,YHHWKHXGIALORG-UHFFFAOYSA-N
rxn:5:190194:225394:228128,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1C#N,FCXSZYDWZSGNIQ-UHFFFAOYSA-N
rxn:5:190194:226464:226060,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cc(C3CC3)cc(C3CC3)c1)OCCO2,PZWKWCJDAFXHCT-UHFFFAOYSA-N
rxn:5:190265:226052:226374,CC1CCCN(C(=O)Cc2ccc(-c3cncnc3C3CCCCC3)c(-c3c(F)ccc(OC(F)(F)F)c3F)c2)C1,KLAKBZIRBQNBKG-UHFFFAOYSA-N
rxn:5:190265:226774:223216,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(c3)CCC(=O)N4)c(-c3ccc(OC(F)=C(F)F)cc3)c2)C1,LKFCGJHZASMFON-UHFFFAOYSA-N
rxn:5:190335:228653:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2C)cc(-c2cnn3c2CCCC3)c1OC,YIFOKJLUMHKIBJ-UHFFFAOYSA-N
rxn:5:190336:226837:229232,CCc1ncsc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,HTGPXKVRJGWGRR-UHFFFAOYSA-N
rxn:5:190337:223389:227767,CCn1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC)c(C(F)(F)F)n1,NHLRWBNCXIJTPJ-UHFFFAOYSA-N
rxn:5:190484:222958:226413,Cc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(N5CCOCC5)c4)S(=O)(=O)CC3)c2)cc1C1CCNCC1,CFTCFSOXUVQLAV-UHFFFAOYSA-N
rxn:5:190484:227451:226900,O=C(c1cccc(-c2ccc(C3CC3(F)F)cc2)c1)N1CCC(c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)S(=O)(=O)CC1,PYOZZEOPYIBHTR-UHFFFAOYSA-N
rxn:5:191026:227076:227591,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,NLKHZYYFGBRNBK-UHFFFAOYSA-N
rxn:5:191026:227076:227704,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,FRARAIZKTOWPQK-UHFFFAOYSA-N
rxn:5:191026:227989:227525,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4CC)c2)C=C(C(=O)OC)S3(=O)=O)c1,DXRYNIPWLFMUGW-UHFFFAOYSA-N
rxn:5:191026:227989:227591,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,RHDUIBKMFIRQNJ-UHFFFAOYSA-N
rxn:5:191026:227989:227704,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,AENMIIHUPDSSME-UHFFFAOYSA-N
rxn:5:191766:225832:226837,COc1c(-c2c(C)nn(C3CCCCO3)c2C)ccc(-c2c(C)nn(CC(F)(F)F)c2C)c1[N+](=O)[O-],UDCVPDQZBXVEEG-UHFFFAOYSA-N
rxn:5:193050:226901:226424,CC1CCCN(c2csc(-c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)cc3C(=O)N3CCCC3)c2)C1,XQNUEGOJCWRWMD-UHFFFAOYSA-N
rxn:5:193382:222991:223388,O=S(=O)(O)c1ccc(-c2cc(-c3ccc(N4CCCC(O)C4)cc3)ccc2S(=O)(=O)N2CCOCC2)cc1,DGDNZMGUSUXXRS-UHFFFAOYSA-N
rxn:5:193382:227404:222986,Cc1cc(-c2cc(-c3cc(N4CCCCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)cc(C2CCCNC2)n1,CQAOMQXOIDKHSB-UHFFFAOYSA-N
rxn:5:193459:227705:226662,COc1cc(C(F)F)ncc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(N3CCN(C)CC3)s2)c1,HLQCKFLKTHYYQL-UHFFFAOYSA-N
rxn:5:193465:225986:227679,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1-c1ccccc1N1CCCS1(=O)=O,FTMNLMSVGGDWDV-SFHVURJKSA-N
rxn:5:193465:226042:226422,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)ccc2N2CCCC2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,BLRVFPJBBXPZQZ-SFHVURJKSA-N
rxn:5:193465:226047:226980,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1ccc(OC(F)(F)F)c(F)c1F,QNPRJXQAKXVUKF-INIZCTEOSA-N
rxn:5:193465:226469:225926,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1ccc2c(c1)N(C)C(=O)CO2,MEZJMTODSAMQTL-FQEVSTJZSA-N
rxn:5:193465:226740:226084,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CCCC3)c1-c1cccc(C(F)(F)F)c1C#N,RXWBSGHITWAXPD-IBGZPJMESA-N
rxn:5:193465:226872:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cc(F)ccc1OC(F)(F)F,JQUSOUKKZMFFEZ-SFHVURJKSA-N
rxn:5:193465:227552:226042,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1ccccc1CC(F)(F)F,ZJQKLVSBMQJNBN-INIZCTEOSA-N
rxn:5:193466:225871:225871,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,NUZJBNKUOAVPTQ-HXUWFJFHSA-N
rxn:5:193466:226041:226966,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,QQBKFSZVAOMQLS-QGZVFWFLSA-N
rxn:5:193467:225986:227672,Cc1cccc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C(=O)N3CCC[C@@H]3C)c2)c1C(F)(F)F,HGQUYCHQVRRKCK-FQEVSTJZSA-N
rxn:5:193467:226042:226141,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC2CCCC2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,LDKWHTLPBYBFQO-IBGZPJMESA-N
rxn:5:193467:226049:226969,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCCC3=O)ccc1-c1cc(F)c(OC(F)(F)F)c(F)c1,OVMDEETVHMQOMB-INIZCTEOSA-N
rxn:5:193467:226054:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cnc(C(F)(F)C(F)(F)F)nc1,WMBPRONFRSBQTE-AWEZNQCLSA-N
rxn:5:193467:227103:226900,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1sccc1C1CCCCC1,GUBWHTZKKCDZPC-IBGZPJMESA-N
rxn:5:193467:227750:225436,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1-c1cccc(F)c1C(F)(F)F,WETDGSYGVNDPPI-NRFANRHFSA-N
rxn:5:193468:225436:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(CN3CCCCC3)cc2)cccc1-c1ccc(S(F)(F)(F)(F)F)cc1,FUCSDXAVVRXAHU-QFIPXVFZSA-N
rxn:5:193468:225450:227750,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1cccc(F)c1C(F)(F)F,AETDNFRHIXCSCC-IBGZPJMESA-N
rxn:5:193468:225818:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1ccc(C(F)(F)F)cc1C1CC1,MHLHYJYIHVOTKI-KRWDZBQOSA-N
rxn:5:193468:225823:227095,CC(C)c1cc(-c2cccc(-c3ccc(C4CC(=O)C4)cc3)c2C(=O)N2CCC[C@@H]2C)cc(C(F)(F)F)c1,GMOIAMXWOSJQIQ-FQEVSTJZSA-N
rxn:5:193468:225985:226876,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)cccc1-c1ccc(F)cc1OC(F)(F)F,XMPKUEYAWYVIJC-SFHVURJKSA-N
rxn:5:193468:225987:226774,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC(F)=C(F)F)cc2)cccc1-c1ccc(N2CCCS2(=O)=O)cc1,DXXDOKAGFDESDS-IBGZPJMESA-N
rxn:5:193468:226042:226197,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCOC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,BPECTZJOCXWYQG-YDNXMHBPSA-N
rxn:5:193469:225407:227552,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1ccccc1CC(F)(F)F,NPBHBZLZTGYXND-HSZRJFAPSA-N
rxn:5:193469:225987:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1-c1cccc(S(F)(F)(F)(F)F)c1,WTWPKOWJVKTNIS-LJQANCHMSA-N
rxn:5:193506:225584:227197,CN1Cc2ccc(-c3cc(-c4ccc(C(=O)N5CCCC5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc2C1=O,DJUQEDCXTYLYOL-UHFFFAOYSA-N
rxn:5:193506:225616:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCCC3)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,ZEQIUXJJXCGQAV-UHFFFAOYSA-N
rxn:5:193506:225926:228079,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2-c2cccc3c2COC3=O)CC1,JXIMKNAPCQRFRQ-UHFFFAOYSA-N
rxn:5:193506:226084:227804,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])CC1,MLKUYFHTYMHXRN-UHFFFAOYSA-N
rxn:5:193506:226364:227350,COc1cc(C)cc(OC)c1-c1cc(-c2ccc(N3CCCCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,VECQYHRATSRMEG-UHFFFAOYSA-N
rxn:5:193506:226415:223281,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCOCC3)cc2-c2ccc(C3(O)COC3)nc2)CC1,VJUWHKKRVQOTLY-UHFFFAOYSA-N
rxn:5:193506:226840:228653,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn4c3CCCC4)c2)cc(C(F)(F)F)n1,XDQPFHZRASVMCO-UHFFFAOYSA-N
rxn:5:193506:226900:228415,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cc(F)ccc2C(F)F)CC1,FAFDSKKDNYHYEY-UHFFFAOYSA-N
rxn:5:193506:227205:228498,Cn1cc(-c2cc(-c3cccc4c3OCCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)c(C(F)(F)F)n1,GYUBMUNKJQZOGR-UHFFFAOYSA-N
rxn:5:193506:227404:228103,CC(C)Cc1ncc(-c2cc(-c3cc(N4CCCCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,NWXTUAVVRITKJR-UHFFFAOYSA-N
rxn:5:193506:227610:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,GQHOFKKWNSSZMA-UHFFFAOYSA-N
rxn:5:193506:227786:228501,Cn1ncc(-c2cc(-c3cnc(F)c(C(F)(F)F)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,IOPJSXAFGCTQCE-UHFFFAOYSA-N
rxn:5:193506:228071:226739,CC(=O)c1ccc(-c2cc(-c3cccc4c3OCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],ZZYMBMHYJFGGIN-UHFFFAOYSA-N
rxn:5:193506:228125:225652,CC1CCCN(c2cncc(-c3cc(-c4ccnc(OC(C)C)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)C1,RCZVRPJNPLNELM-UHFFFAOYSA-N
rxn:5:193506:228194:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2c(C)nn(C(C)C)c2C)ccc1S(=O)(=O)N1CCC(=O)CC1,GTWVNQVZIOHVAB-UHFFFAOYSA-N
rxn:5:193506:228498:226374,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cncnc3C3CCCCC3)c2)c(C(F)(F)F)n1,ZPHKKNQKORADQG-UHFFFAOYSA-N
rxn:5:193506:228499:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C)ccc1S(=O)(=O)N1CCC(=O)CC1,XMTZREZAFGEPGT-UHFFFAOYSA-N
rxn:5:193506:228653:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cc(-c2cnn3c2CCCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,MBKZYKCSNKSVHZ-UHFFFAOYSA-N
rxn:5:193506:228879:226413,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnn3C3COC3)cc2-c2cccc(N3CCOCC3)c2)CC1,ASCUNZXEUQTROT-UHFFFAOYSA-N
rxn:5:193506:228967:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cn(C)nc2C(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,QKFKSIIVRJBIEN-UHFFFAOYSA-N
rxn:5:193506:229231:225832,CCc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3c(C)nn(C4CCCCO4)c3C)c2)s1,ZBSROEAVNMNTRT-UHFFFAOYSA-N
rxn:5:193537:225394:226464,COc1ccc2c(c1-c1cccc(CN3CCCCC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,VLJMBHMBWUMREA-UHFFFAOYSA-N
rxn:5:193652:226054:226901,O=C1OC(c2ccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)cc2)=NC1=Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,BBBTXPIEJQFDEM-UHFFFAOYSA-N
rxn:5:193681:225881:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1OC1CCN(C)CC1,FMOYGAQYKOVITI-UHFFFAOYSA-N
rxn:5:193710:225472:226901,CC1CCCCN1c1cccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5cccc(S(F)(F)(F)(F)F)c5)cc4)SC3=S)c2)c1,ZNXUBQOGRDNSMF-UHFFFAOYSA-N
rxn:5:193710:227804:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6cc([N+](=O)[O-])sc6[N+](=O)[O-])c5)C4=O)cc3)c2)N1,XQNWDJSQSANJLA-UHFFFAOYSA-N
rxn:5:193749:226900:227563,CC1CCCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cccc(CC(F)(F)F)c1,WVXSAAMLEMTTDA-UHFFFAOYSA-N
rxn:5:193750:226901:225986,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccccc2N2CCCS2(=O)=O)CC1,IDWHGFFZKIAVGP-UHFFFAOYSA-N
rxn:5:193754:226049:228078,CC1CCN(C(=O)c2cccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2-c2ccc3c(c2)COC3=O)CC1,NAIYYOGKXIMSBX-UHFFFAOYSA-N
rxn:5:193754:227772:223141,CC1CCN(C(=O)c2cccc(-c3cncc(OC(F)(F)F)c3)c2-c2cncc(C3CCNCC3)c2)CC1,VBUPBWMQQAQOQN-UHFFFAOYSA-N
rxn:5:193756:226901:226969,CC1CCCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc2c(c1)CCCC2=O,LPBSONJSJJTGGS-UHFFFAOYSA-N
rxn:5:193807:226060:226464,COc1ccc2c(c1-c1cccc(CN3CCC(C)CC3)c1-c1cc(C3CC3)cc(C3CC3)c1)OCCO2,DWGGJOPCGGAEHH-UHFFFAOYSA-N
rxn:5:193808:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(CN3CCC(C)CC3)c1)OCCO2,ZZJWSURSWPKPFQ-UHFFFAOYSA-N
rxn:5:193809:226464:225394,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,GQJYGYKCRVZGBP-UHFFFAOYSA-N
rxn:5:193869:228704:227766,CCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)nn(CC)c2C)cc1C,WUDXHUKSRUWXFO-UHFFFAOYSA-N
rxn:5:193870:226364:228149,COC(=O)c1ccccc1-c1cc(-c2ccc(N3CCCCC3)nc2)c(C)cc1S(=O)(=O)N1CCCCC1,ZIRXQEBNSSLQGJ-UHFFFAOYSA-N
rxn:5:193912:226900:228016,O=C1CS(=O)C(c2ccc(-c3cc(C4CCCC4)cs3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,PRLYBCPZBDGVCZ-UHFFFAOYSA-N
rxn:5:193912:227450:226901,O=C1CS(=O)C(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2cccc(C3CC3(F)F)c2)cc1,WMXVFAWHCDAMRL-UHFFFAOYSA-N
rxn:5:193912:227505:226900,O=C1CS(=O)C(c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1,YXODOZBXLXBURE-ISLYRVAYSA-N
rxn:5:193967:228454:226029,CCOc1c(F)c(F)c(-c2cc(-c3cc(OC)nnc3OC)ccc2CN2CCC3(CC2)OCCO3)c(F)c1F,ATKWOTBTLAYMOA-UHFFFAOYSA-N
rxn:5:193972:223389:227767,CCn1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(C)n[nH]c3C(F)(F)F)cc2C)c(C(F)(F)F)n1,KDNXIKCEKLNLMI-UHFFFAOYSA-N
rxn:5:194398:225976:222405,O=C1NC(=O)C(c2cccc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3C(=O)N3CC4CC4C3)c2)N1,UGQGVKBEHBDSFC-UHFFFAOYSA-N
rxn:5:194399:226900:222982,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c(-c2ccc(CN3CC[C@@H](O)C3)cc2)c1)N1CC2CC2C1,CNLDZTGLFHHWGT-DDJHWDJXSA-N
rxn:5:194414:225394:226464,COc1ccc2c(c1-c1c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc3c1CCN3CC1CC1)OCCO2,KDXVEHQLADWWLP-UHFFFAOYSA-N
rxn:5:194414:226464:225394,COc1ccc2c(c1-c1ccc3c(c1-c1cc(C4CCC4)cc(C4CC4)c1)CCN3CC1CC1)OCCO2,OKALMFAEFVJQAJ-UHFFFAOYSA-N
rxn:5:194522:226900:225939,CC(C)CN1CCc2c1ccc(-c1ccc(S(F)(F)(F)(F)F)cc1)c2-c1cnc(C(F)(F)F)c(C(C)C)c1,BUXLHKQFMHZIGS-UHFFFAOYSA-N
rxn:5:194561:227764:223269,CC(=O)Nc1ccc(-c2ccc(-c3cc(F)c(C(F)F)c(F)c3)cc2C(=O)N2C3CCC2COC3)cc1F,NWLUAVNLKIADOI-UHFFFAOYSA-N
rxn:5:194733:226901:229042,Cc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,AFZJAJSCOLNYIX-UHFFFAOYSA-N
rxn:5:194733:227673:227138,CC(F)(F)c1cccc(-c2ccc(-c3cc4ccc(C#N)cc4s3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1F,AZTXZNGMPKRJDA-UHFFFAOYSA-N
rxn:5:194733:227812:226901,CC(C)Cc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,ZVBXUCXLOFPMFD-UHFFFAOYSA-N
rxn:5:194733:227894:228825,Cc1cc(F)c(-c2ccc(-c3cccc(/C=C/C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1F,NHCXYZJQQKOHAJ-HWKANZROSA-N
rxn:5:194733:228510:226901,CC(C)c1ccccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,BWYUTTAAXBPDGU-UHFFFAOYSA-N
rxn:5:194733:229140:226900,O=C(c1cc(-c2cccc(F)c2F)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,RLZMIJRFMGCMOV-UHFFFAOYSA-N
rxn:5:194767:225706:226395,CC(C)n1cnc2cc(-c3ccc(-c4cncc(N5CCCCC5)c4)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c(F)cc21,UJIDSJYLWPRCTN-UHFFFAOYSA-N
rxn:5:194767:228890:226587,N#Cc1cc(-c2ccc(-c3cnc(OC4CCC4)cc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cnc1F,OYPGIPYPNCQNIQ-UHFFFAOYSA-N
rxn:5:196408:223061:223064,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,UTFYQGGBWNXWBH-UHFFFAOYSA-N
rxn:5:196408:223062:223064,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,ZQIAARHKAZYRQW-UHFFFAOYSA-N
rxn:5:196408:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2F)c1,BIZCFJUXHSBHCW-UHFFFAOYSA-N
rxn:5:196533:225823:226900,CC(C)c1cc(-c2ccc(N3C(=O)CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3=O)cc2)cc(C(F)(F)F)c1,FQXFKHOMQGOAOA-UHFFFAOYSA-N
rxn:5:196533:226901:226049,O=C1CC(c2cc(F)c(OC(F)(F)F)c(F)c2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,OVFXMFGATVQBAB-UHFFFAOYSA-N
rxn:5:196792:223062:226342,COC(=O)c1c(C)cc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(N3CCOCC3=O)c2)cc1C,YZKMFFVDKFMFGU-UHFFFAOYSA-N
rxn:5:196792:226665:225603,N#CC1(c2cccc(-c3ccc(-c4cnc(C5CCCOC5)nc4)c(N4CCOCC4=O)c3)c2F)CCC1,GYHZVXCTCPRZFH-UHFFFAOYSA-N
rxn:5:196794:226174:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCC3)nc2)cc1N1CCOCC1=O,FPQJXXZAUCESLF-UHFFFAOYSA-N
rxn:5:196795:226837:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(N2CCOCC2=O)cc1-c1c(C)nn(CC(F)(F)F)c1C,PBQJUSDMUADIQE-UHFFFAOYSA-N
rxn:5:196970:223007:225849,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2cnc(N3CCCCC3)cc2F)cc(C2CCNCC2)c1,SGLBLNHSOGMIBK-UHFFFAOYSA-N
rxn:5:196978:223064:223061,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1N1CCCCC1,BZDOKHOIWPIQFH-UHFFFAOYSA-N
rxn:5:196978:223064:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1N1CCCCC1,GSGAQQXRSDSVHA-UHFFFAOYSA-N
rxn:5:196978:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(N2CCCCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,YKOSLBWXHZPJBD-UHFFFAOYSA-N
rxn:5:196979:223062:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc(N2CCCCC2)c1,DNUFRPDAKPHXEF-UHFFFAOYSA-N
rxn:5:196979:223062:223064,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,JVLBKFFBYZXRJO-UHFFFAOYSA-N
rxn:5:196979:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,NUJAWASKBZFNPO-UHFFFAOYSA-N
rxn:5:196979:225677:223064,Fc1nc(C2CCCCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,WIFLJQQUWCHEPX-UHFFFAOYSA-N
rxn:5:196979:225833:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)cc(N2CCCCC2)c1,JNZVTXTZIAMWEM-UHFFFAOYSA-N
rxn:5:197526:225584:225871,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(C(=O)N3CCCC3)cc1)c2-c1cccc(N2C(=O)C=CC2=O)c1,RFLPYQWDYHRGNN-UHFFFAOYSA-N
rxn:5:197526:225871:226332,CC(=O)N1CC(=O)c2c1ccc(-c1cccc(N3C(=O)C=CC3=O)c1)c2-c1ccccc1C(=O)N1CCC1,BQXAUDDOCYYAFV-UHFFFAOYSA-N
rxn:5:197526:226047:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2ccc(OC(F)(F)F)c(F)c2F)ccc2c1C(=O)CN2C(C)=O,HAZLPRYZCCGNLC-UHFFFAOYSA-N
rxn:5:197876:223438:226051,CC(C)(C)N1C(=O)c2cc(-c3c(OC(F)(F)F)ccc(F)c3F)c(-c3cn[nH]c3C(F)(F)F)cc2S1(=O)=O,BQOZWORFSAQVHZ-UHFFFAOYSA-N
rxn:5:197876:225601:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GCPPKGXTJDLUOL-UHFFFAOYSA-N
rxn:5:197876:225602:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WIZDDYVJJSJUDT-UHFFFAOYSA-N
rxn:5:197876:226710:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(F)c([Si](C)(C)C)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,LDXQOVQTEOLQAE-UHFFFAOYSA-N
rxn:5:197876:226910:226762,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,KDUWUPBHYPICNP-UHFFFAOYSA-N
rxn:5:197876:227076:226762,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CDSSRTDWROHLAC-UHFFFAOYSA-N
rxn:5:197876:227076:227589,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XVCFVZXBWLWFEQ-UHFFFAOYSA-N
rxn:5:197876:227279:223439,CC(C)n1nc(C2CC2)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)[nH]n1)C(=O)N(C(C)(C)C)S2(=O)=O,ZUUYUNOQPSUGJM-UHFFFAOYSA-N
rxn:5:197876:227409:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FWRPIKJALFHWMP-UHFFFAOYSA-N
rxn:5:197876:227409:227023,CC(c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,ILLYBLXYRDKBIF-UHFFFAOYSA-N
rxn:5:197876:227412:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OQKQAZGKRHTCHO-UHFFFAOYSA-N
rxn:5:197876:227503:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BLNHFZRJXLPUER-UHFFFAOYSA-N
rxn:5:197876:227706:226762,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MZPMAABXYGAALT-UHFFFAOYSA-N
rxn:5:197876:227706:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC)cnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DIMWFBNPYXBTAF-UHFFFAOYSA-N
rxn:5:197876:227706:226912,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)cc(CC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LEXOBQICCRGWEH-UHFFFAOYSA-N
rxn:5:197876:227706:226917,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MQSBDEOIAUYYOL-UHFFFAOYSA-N
rxn:5:197876:227706:227018,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SXAWUWCMQPJELQ-UHFFFAOYSA-N
rxn:5:197876:227706:227045,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FOVSNKXUIYONBM-UHFFFAOYSA-N
rxn:5:197876:227706:227046,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VQENUMCJRHQCHH-UHFFFAOYSA-N
rxn:5:197876:227706:227050,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(OC(C)C)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MFSZGEVQXFBEIH-UHFFFAOYSA-N
rxn:5:197876:227706:227052,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CRBCJURPXVVQJY-UHFFFAOYSA-N
rxn:5:197876:227706:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC)cnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FSPRCXZIFZYDJS-UHFFFAOYSA-N
rxn:5:197876:227706:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(OC)cnc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KUQAIWIMKBRODT-UHFFFAOYSA-N
rxn:5:197876:227706:227328,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(F)cc(OC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CKZFPROQMISHFZ-UHFFFAOYSA-N
rxn:5:197876:227706:227547,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(OC(F)F)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HMKNRHMQDBXWDY-UHFFFAOYSA-N
rxn:5:197876:227706:227589,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ALUNFRHWPSDYDC-UHFFFAOYSA-N
rxn:5:197876:227706:227714,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(SC(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KNBJEYBRRKRWHS-UHFFFAOYSA-N
rxn:5:197876:227713:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,TULWFZWEHYCHRV-UHFFFAOYSA-N
rxn:5:197876:227713:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZHFQRFPKRAPNKF-UHFFFAOYSA-N
rxn:5:197876:227713:227309,CCC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,YQPMCNBPRVCARK-UHFFFAOYSA-N
rxn:5:197876:227713:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YUWPQZKNLUYKDD-UHFFFAOYSA-N
rxn:5:197876:227713:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KHEDASDLZBAOCW-UHFFFAOYSA-N
rxn:5:197876:227717:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XFFLLKSRPPQGJZ-UHFFFAOYSA-N
rxn:5:197876:227831:226762,CCc1c(C)cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,BHMRCEXAJNAYJR-UHFFFAOYSA-N
rxn:5:197876:228415:223183,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,JEPWOFSEAQPQEW-UHFFFAOYSA-N
rxn:5:197876:228415:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,GBHICGOSANPFLR-UHFFFAOYSA-N
rxn:5:197876:228415:226061,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,RZIWMWCNNORQEX-UHFFFAOYSA-N
rxn:5:197876:228415:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RBNOUBVTJAQHGW-UHFFFAOYSA-N
rxn:5:197876:228415:226151,Cc1cc(OC(C)C)c(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,BULMUBPXSHONKA-UHFFFAOYSA-N
rxn:5:197876:228415:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,KWSQCRYPNVVTBO-UHFFFAOYSA-N
rxn:5:197876:228437:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ODWPZCJHDZSLPI-UHFFFAOYSA-N
rxn:5:197876:228445:226061,CC(C)c1cc(-c2cc3c(cc2-c2c(F)cccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,VRKXXBBDTCGBJM-UHFFFAOYSA-N
rxn:4:173389:223540,CCOC(=O)CCc1ccc(OC)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,AECHBCBULREBID-UHFFFAOYSA-N
rxn:4:173423:224820,CC(C)COc1cc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC(F)(F)F,WBTRQRXNYRDPEO-UHFFFAOYSA-N
rxn:4:173602:222833,COC(=O)C12CC(COc3ccc(-c4cccc(NC(=O)CCC(C)C)c4)c(OC)c3)(C1)C2,FJIBVJSVQPSELA-UHFFFAOYSA-N
rxn:4:173706:225361,CCCC(=O)c1cc2c(cc(-c3cn(C4CCCC4)nc3C(F)(F)F)c3oc(C)c(C(=O)OCC)c32)oc1=O,OGQYNCBNUSMXAL-UHFFFAOYSA-N
rxn:4:173798:224285,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(OCCN2CCOCC2)cc1F,PYVWDXKRYUGBLJ-UHFFFAOYSA-N
rxn:4:173920:223999,COC(=O)Cc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)ccc1C(=O)OC,XKNZPKYAWWGQFF-UHFFFAOYSA-N
rxn:4:174004:223888,CCOC(=O)c1cc(OCC)c(F)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,GCCQZGOBRBUUIE-UHFFFAOYSA-N
rxn:4:174077:223835,COC(=O)c1c(F)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1OCC1CC1,WSUAOFHSUHJNNZ-UHFFFAOYSA-N
rxn:4:174149:223929,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2,OQIQCMIWGDSNLH-UHFFFAOYSA-N
rxn:4:174152:224318,COC(=O)C(C)(C)COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c(F)c1,NOOABILEWGBZDL-UHFFFAOYSA-N
rxn:4:174161:222588,COC(=O)c1cc(F)c(OCC(C)C)cc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,HCKZAFJXUAZUGC-UHFFFAOYSA-N
rxn:4:174367:223842,COC(=O)c1ccccc1CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,FZQSWYMCGCNYJQ-UHFFFAOYSA-N
rxn:4:174372:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,XUQUCNJWWJUHEJ-UHFFFAOYSA-N
rxn:4:174372:222818,COC(=O)c1cc(-c2ccc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c(C(=O)OC)c2)c(F)cc1NC(C)=O,RXBBECJJHSLHPJ-UHFFFAOYSA-N
rxn:4:174508:223959,CCN1CCN(C(=O)c2cc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)ccc2Cl)CC1,XRSPBTRYFZGBRH-UHFFFAOYSA-N
rxn:4:174581:223521,COC(=O)c1c(C)oc2ccc(OCc3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)cc12,KWKUDGOFHCXREJ-UHFFFAOYSA-N
rxn:4:174663:222398,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1NC(=O)NC1CC1,FEIVLDFMGXBQAW-CQAAYFSLSA-N
rxn:4:174663:224024,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1,RNWUIAAYLWLITR-VZKUZQOTSA-N
rxn:4:174663:225507,COC(=O)C1CCc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccc21,VOVGDCXUXIOVRH-BVAFYABNSA-N
rxn:4:174663:225571,COC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C2CC2)c1,OZISUZPPZHHJKV-BWMMMBKGSA-N
rxn:4:174663:226903,Cc1ccc2ccccc2c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,IVQLGBDFIOIYSD-BBSVBJGBSA-N
rxn:4:174663:227870,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CC3)cc1,HXMYXXVFQDWWKK-FQEXLZSCSA-N
rxn:4:174663:228175,CCOc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1Cl,NECITMYJKPTDRD-FVTPAXNCSA-N
rxn:4:174663:228547,CCCc1ccncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,BGOBJKCMAWCHFP-NPFQZUNJSA-N
rxn:4:174663:228647,Cc1cc(C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1Cl,SXQFKMZBURJYML-PDMVVSJHSA-N
rxn:4:174663:228713,CC(C)(C)n1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)n1,ISIBFYQZMOEHGR-QQXXBIGFSA-N
rxn:4:174663:229007,CSc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,RXNAOHXCNNLCPI-XVDHNCDISA-N
rxn:4:174663:229310,Cc1nc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cs1,RYQJOGNDTPXDAY-SCOJNZJKSA-N
rxn:4:174726:222589,O=C(CC(=O)C(F)(F)F)c1cccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c1,VUXFXYKDDZAUHG-UHFFFAOYSA-N
rxn:4:174726:223951,CN1CCN(CCOc2ccc(-c3cccc(C(=O)CC(=O)C(F)(F)F)c3)cc2F)CC1,RPPQHNCNVSHDLK-UHFFFAOYSA-N
rxn:4:175191:223696,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(OC)c1OC,JRWDDTVNTVBTDW-UHFFFAOYSA-N
rxn:4:175343:223635,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,YUWHPOXPPQLOCF-UHFFFAOYSA-N
rxn:4:175472:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(Cl)c(OCc4ccccc4)c(C(F)(F)F)c3)cc2)C1,VYXDHEFCESLURT-UHFFFAOYSA-N
rxn:4:175717:223712,COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C(=O)OC(C)(C)C,GPSKNWPWSWLGAA-UHFFFAOYSA-N
rxn:4:175729:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCC4OCCCO4)c(F)c3)c3ccccc23)CC1,CRDTXPHWTLROSN-UHFFFAOYSA-N
rxn:4:176823:223606,CC(=O)CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1,RPFNNIWOWSKMDH-UHFFFAOYSA-N
rxn:4:177199:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3C(=O)CC3CC3)cc2F)CC1,IXAMLPFIBDSBQX-UHFFFAOYSA-N
rxn:4:179875:223490,Cc1ccc(-c2ccc(Cl)c(C(=O)c3ccccc3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QXSJUQMBJMXDGE-UHFFFAOYSA-N
rxn:4:180284:223669,CC1C(=O)CCC1Sc1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,AYHORUUHAXKNTD-UHFFFAOYSA-N
rxn:4:182093:223712,COc1ccc(-c2cccc(C3(C)CCC(=O)CC3)c2)cc1C12CC3CC(CC(C3)C1)C2,SXUISFUAWZMQFS-UHFFFAOYSA-N
rxn:4:182161:223588,Cc1cc(-c2cc3c(cc2S(=O)[O-])OCCO3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QLLQEDFKMFXBIH-UHFFFAOYSA-M
rxn:4:182180:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)C(=O)C(C(F)(F)F)C4)cn2)CC1,GIOJJPABNWUGGP-UHFFFAOYSA-N
rxn:4:182376:226714,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3C2=O)C[C@@H]1C,UWUIWQWSIGCPHL-KRTJBXJTSA-N
rxn:4:183216:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(Cl)c4c(c3)C(=O)CC(C)(C)O4)cc2C)CC1,IOOSIJUXMXHFJV-UHFFFAOYSA-N
rxn:4:183271:224360,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)n1C(=O)OC(C)(C)C,SMXANXJIYULFOM-UHFFFAOYSA-N
rxn:4:183274:223427,O/N=C/c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RKYDBSLJRZRABE-XAYXJRQQSA-N
rxn:4:183274:228926,CSc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1Cl,WVMXVATYAWDAFM-UHFFFAOYSA-N
rxn:4:183379:225734,CCCCOc1cc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cc(Cl)c1F,WVJLHFYLEXIFHE-UHFFFAOYSA-N
rxn:4:183470:223695,CCOC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,MOKSONIXFQPNPY-UHFFFAOYSA-N
rxn:4:183481:224658,CCOC(=O)C(=O)Cc1c(-c2ccc(N3CCN(C(C)=O)CC3)cc2)cccc1[N+](=O)[O-],VVXDBFXNRZDIAR-UHFFFAOYSA-N
rxn:4:183803:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(OC(F)(F)F)cc3OCCN3CCCCC3)c2)CC1,SEPVEJJIDLJBIO-UHFFFAOYSA-N
rxn:4:183863:223835,COC(=O)CN1CCCC(COc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2)C1,PSWAODWXCYTLQY-UHFFFAOYSA-N
rxn:4:183864:224285,COC(=O)CN1CCCC(COc2cccc(-c3ccc(OCCN4CCOCC4)cc3F)c2)C1,MSWOORHCOVRJTB-UHFFFAOYSA-N
rxn:4:183870:222947,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2)C1,VUIMYTRNQVCJPA-UHFFFAOYSA-N
rxn:4:183870:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)cc21,FRUKIKHWUKBEQW-UHFFFAOYSA-N
rxn:4:183870:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,YVOBSSYFRZNYHW-UHFFFAOYSA-N
rxn:4:183870:223683,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C1,QVCASHNOGVLOBX-UHFFFAOYSA-N
rxn:4:183870:223761,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc2)C1,UHIFCMYDNVBVGV-UHFFFAOYSA-N
rxn:4:183872:224180,COCCOc1cc(-c2ccccc2OCCN2CCN(C)CC2)ccc1C(=O)N1CCCCC1,GYUIQIUYZNDUMB-UHFFFAOYSA-N
rxn:4:183873:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OCCN4CCCCC4)cc(C(=O)OC)c3)ccc2OC)CC1,MMTUPILRDZTFSO-UHFFFAOYSA-N
rxn:4:183876:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(Cl)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,CFSYUMFOKVTZKO-UHFFFAOYSA-N
rxn:4:183877:223941,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)C1,ZZWSOVNCYJYRLZ-UHFFFAOYSA-N
rxn:4:183877:224272,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cc3ccncc3n2C(=O)OC(C)(C)C)C1,DNEHMZXYKDFIDP-UHFFFAOYSA-N
rxn:4:183878:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cc(Cl)cc(OCC2CN(C(=O)OC(C)(C)C)C2)c1,SUDQEBSAHVHBLZ-UHFFFAOYSA-N
rxn:4:183902:224322,COC1CCN(CCCOc2c(F)cccc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1,LPXPFOSYUDXIHP-UHFFFAOYSA-N
rxn:4:183934:225269,COC(=O)c1ccc(-c2ccccc2CCCN2CCC(C(=O)OC)CC2)c(C(=O)OC)c1,JILBQRSWJHSUCG-UHFFFAOYSA-N
rxn:4:183943:223588,Cc1cc(-c2ccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,XHUIREAOKUBGDI-UHFFFAOYSA-N
rxn:4:183943:225947,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,CUWKKPZGOMYFKB-UHFFFAOYSA-N
rxn:4:183944:223492,Cc1cc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SROWAVWBUJEJMF-UHFFFAOYSA-N
rxn:4:183961:223106,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2cnc(N3CCC(O)C3)nc2Cl)cc1,CZYOVUVSHYQLER-ZENAZSQFSA-N
rxn:4:183961:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)cc2)CC1,YOEPTNDZYDSUJM-SANMLTNESA-N
rxn:4:183961:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)cn2)CC1,IWKQGDSKJMEJPZ-DEOSSOPVSA-N
rxn:4:183961:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)cc21,CCCQUMHXJUFXSS-DEOSSOPVSA-N
rxn:4:183961:225876,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2cc(Cl)ccc2N2CCOCC2)cc1,USWVPLKYFPKLTF-NRFANRHFSA-N
rxn:4:183963:223687,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,MIROHOYSLVVRSZ-UHFFFAOYSA-N
rxn:4:183968:224268,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2)C1,XCSWPLUTGVFOHT-UHFFFAOYSA-N
rxn:4:183968:224274,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c2)C1,LXHXPHKERIPCFT-UHFFFAOYSA-N
rxn:4:183969:228502,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn(C)cc3C(F)(F)F)c(OC)c2)CC1,DNRLKFFFYVCHQB-UHFFFAOYSA-N
rxn:4:184001:225758,COC(=O)C1(c2ccc(-c3ccncc3C(=O)OC(C)(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,YLUYBKQYEJRLEO-UHFFFAOYSA-N
rxn:4:184013:223520,CC(c1ccc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,VJZWGHPVEYUAOV-UHFFFAOYSA-N
rxn:4:184031:223480,Cc1cc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OESBRTZUVZHSTI-UHFFFAOYSA-N
rxn:4:184031:223807,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3)c2)C1,WZEKWNGVQRIRML-UHFFFAOYSA-N
rxn:4:184055:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,WGYNJDMOXRFICL-UHFFFAOYSA-N
rxn:4:184056:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,DCDQINLYDGZJFQ-UHFFFAOYSA-N
rxn:4:184056:223596,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,KNUSXDMDVDNQQF-UHFFFAOYSA-N
rxn:4:184195:223659,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,KDVSUFHVIFUMMQ-UHFFFAOYSA-N
rxn:4:184346:223606,CCOC(=O)CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cnc1Cl,IRGHENREPBRHGB-UHFFFAOYSA-N
rxn:4:184420:223823,CCOC(=O)c1cc(C(F)F)c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,OOTMULZZDOBMHQ-UHFFFAOYSA-N
rxn:4:184794:223493,COc1ccc(COc2ccc(C#N)cc2-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1,SIOSFHHJBHFZII-UHFFFAOYSA-N
rxn:4:184814:223823,CCN(CC)CCc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1Cl,BKXFKFNEHJANRZ-UHFFFAOYSA-N
rxn:4:185027:223790,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)C1,VBAAVNBSPZUMIL-UHFFFAOYSA-N
rxn:4:185108:222855,COc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc(C2CCCNC2)c1,AAMVOCHUGRMBPV-UHFFFAOYSA-N
rxn:4:185108:225320,O=S(=O)(c1ccc(OCC2CC2)c(-c2ccc(N3CCOCC3)c(F)c2F)c1)N1CCCC1,VKLMLZPCXOSZQN-UHFFFAOYSA-N
rxn:4:185130:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)c2F)C1,REOSMGCZMBEZCZ-UHFFFAOYSA-N
rxn:4:185138:225769,COC(=O)C1CCN(CCc2cc(-c3cc(OCC4CC4)c(F)cc3F)ccc2F)CC1,VIFSZVMACMCYNO-UHFFFAOYSA-N
rxn:4:185149:225232,CC1CCN(c2cc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cnc2Cl)CC1,HWVPQNVSLYVZQP-UHFFFAOYSA-N
rxn:4:185159:222828,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1,PRBOYWWKQPTKGX-UHFFFAOYSA-N
rxn:4:185202:223507,COc1cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CN(C(=O)OC(C)(C)C)C1,ZUKUMESCVCVWEZ-UHFFFAOYSA-N
rxn:4:185203:223777,COc1ccc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c(C2CN(C(=O)OC(C)(C)C)C2)c1,QOBDVPAGCCHTIN-UHFFFAOYSA-N
rxn:4:185246:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(CC4C(=O)CCN4C(=O)OC(C)(C)C)c3)ccc2Cl)CC1,GTLVQVTZXJUPIN-UHFFFAOYSA-N
rxn:4:185260:222929,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2)C1,XEYTZLIIAIGCDK-UHFFFAOYSA-N
rxn:4:185314:222929,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)C1,MJLFOKBVMYTXCK-UHFFFAOYSA-N
rxn:4:185315:222886,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(N4CCNCC4)cc3C#N)ccc2C2CC2)C1,HPWZEHZRQRJEQG-UHFFFAOYSA-N
rxn:4:185318:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,VMEQYUBPMVRNBW-UHFFFAOYSA-N
rxn:4:185323:224161,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2F)CC1,FASRCEMLQULCEZ-UHFFFAOYSA-N
rxn:4:185324:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,DRLBYPYXHDMRIG-UHFFFAOYSA-N
rxn:4:185352:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,RCBWPOCDZOJBIS-UHFFFAOYSA-N
rxn:4:185354:223499,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,RLQTUQRDHCLRTI-UHFFFAOYSA-N
rxn:4:185371:223189,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)CC1,ODCJFQKWOIIAOT-UHFFFAOYSA-N
rxn:4:185371:223591,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2)CC1,LLEHVOHMRJNWIY-UHFFFAOYSA-N
rxn:4:185371:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,QPSJGNRQVBQSPC-UHFFFAOYSA-N
rxn:4:185381:224273,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1,BSUQCDYYVYRXHU-UHFFFAOYSA-N
rxn:4:185384:223668,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)C1,PYFRXHOVHHEGMN-UHFFFAOYSA-N
rxn:4:185386:226021,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3cc(Cl)ccc3OCC(F)(F)F)c2)C1,NKTSDCWDSCXAAC-UHFFFAOYSA-N
rxn:4:185405:226896,COCn1cc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1,JLBNVFHZJZUNEG-UHFFFAOYSA-N
rxn:4:185406:223531,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,KROUZQHMCDSKGD-UHFFFAOYSA-N
rxn:4:185407:224080,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCCN2CCCCC2)cc1,ZEMCTLRBDAQLHK-UHFFFAOYSA-N
rxn:4:185407:224187,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCN2CCCCC2)cc1F,QVNYLPVAEYSNDQ-UHFFFAOYSA-N
rxn:4:185408:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)c2F)cc1,XNLDOSAIXZACRR-UHFFFAOYSA-N
rxn:4:185408:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)c2C1,GBSPWNYEFGBNIB-UHFFFAOYSA-N
rxn:4:185414:223084,Cc1cc(Cl)cc(-c2cnc(N3CCC(O)CC3)nc2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,JJCKAQIOIQKPGM-UHFFFAOYSA-N
rxn:4:185414:223932,Cc1cc(Cl)cc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,MBXXDLQZZVURSR-UHFFFAOYSA-N
rxn:4:185419:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2C2CC2)c1,FBOVADRDMBPEOA-UHFFFAOYSA-N
rxn:4:185420:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4CC4)cc3C3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,WEQJNCNSTGDJAS-UHFFFAOYSA-N
rxn:4:185422:223774,COc1cccc2c1cc(-c1ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(C3CC3)c1)n2C(=O)OC(C)(C)C,VJJCHGJJPHPXBV-UHFFFAOYSA-N
rxn:4:185438:223134,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnccc3C3CCCNC3)cc2)CC1,QORCXYSYAYZJRL-UHFFFAOYSA-N
rxn:4:185439:223578,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc(C2CC2)c1,KJWZNJGIDLQQJT-UHFFFAOYSA-N
rxn:4:185920:223894,COC(=O)c1cc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc(C#N)c1C(F)(F)F,ZRGKOHFGGRXKMF-UHFFFAOYSA-N
rxn:4:185966:223695,CCOC(=O)c1cccc([N+](=O)[O-])c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,HCZZYVBQJAOWIQ-UHFFFAOYSA-N
rxn:4:186547:223499,CCN(CC)Cc1cccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,IPVHAGNLLRKWER-UHFFFAOYSA-N
rxn:4:186715:222684,COC(=O)C1CN(Cc2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2F)C1,TUWTWGCPMHUYSC-UHFFFAOYSA-N
rxn:4:186874:223867,CC1CCN(CCCOc2cccc(-c3ccc(OCCN4CCOCC4)cc3F)c2)CC1,OPBPMABJHPUQJF-UHFFFAOYSA-N
rxn:4:186890:224396,Cc1cc(-c2ccc(S(=O)CC(=O)N3CCOCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,MTELCDZFVIMMEI-UHFFFAOYSA-N
rxn:4:186893:223696,O=C(CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCCC1,NUGXSZRRZODZPW-UHFFFAOYSA-N
rxn:4:186920:225361,O=C(CS(=O)(=O)c1cccc(-c2cn(C3CCCC3)nc2C(F)(F)F)c1)N1CCC(F)(F)C1,AAKAOUGGLSSRRY-UHFFFAOYSA-N
rxn:4:186990:224992,O=C1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)CC1,BBGOGKDUIVWDHR-UHFFFAOYSA-N
rxn:4:186991:222395,O=C(NC1CCC(O)CC1)c1cccc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)c1,TWFDLAGIZJFOJX-UHFFFAOYSA-N
rxn:4:186992:225296,O=C(CS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1,RVTOFEDQTOOOFC-UHFFFAOYSA-N
rxn:4:187108:223867,Cc1ccc(OCCN2CCOCC2)c(-c2cccc(OCCCN3CCC(C)CC3)c2)c1,KWIXXQKNYRMJJH-UHFFFAOYSA-N
rxn:4:187122:223505,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,NDVLVIOVACOVMQ-UHFFFAOYSA-N
rxn:4:187203:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(Cl)ccc3C3CN(C(=O)OC(C)(C)C)C3)ccc2C1,DCFUKLSMIOUOLC-UHFFFAOYSA-N
rxn:4:187204:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(Cl)c1,QLSUQGUUPMPLMP-UHFFFAOYSA-N
rxn:4:187214:223492,Cc1cc(-c2cc(F)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZTQGGAVQQWULOC-UHFFFAOYSA-N
rxn:4:187300:222522,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)CC1,ASEJJACKSOFILI-UHFFFAOYSA-N
rxn:4:187311:224587,CC1CCN(Cc2ccc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C)C3)cc2F)CC1,WSFACOQJROYNNT-UHFFFAOYSA-N
rxn:4:187327:226534,COC(=O)c1cc(OC)ccc1-c1cccc([C@H]2COS(=O)(=O)N2C(=O)OC(C)(C)C)c1,HHIMYHYCFABUCQ-LJQANCHMSA-N
rxn:4:187354:223669,CCN(C)Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C(C)(C)C)c1,OCPQLJVWRZVZJB-UHFFFAOYSA-N
rxn:4:187384:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)cc2)CC1,NPIFMVQGAXXKSL-UHFFFAOYSA-N
rxn:4:187419:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)ccc1C1CN(C(=O)OC(C)(C)C)C1,HOHVXLUDCKAIHN-UHFFFAOYSA-N
rxn:4:187438:225144,Cc1cc(-c2ccc(N3CCOCC3)cc2C#N)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,SXRUYRNSSFHMQP-UHFFFAOYSA-N
rxn:4:187483:224819,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1,NUUOQXJSDHSXIB-UHFFFAOYSA-N
rxn:4:187492:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cccc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,OPEGAPGQBRBBDB-UHFFFAOYSA-N
rxn:4:187557:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)c(Cl)c2)CC1,HKCFKAFTEAZSSQ-AREMUKBSSA-N
rxn:4:187557:224022,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,ZLEPIDJFPQAVIT-JQYJWHCESA-N
rxn:4:187582:223556,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c2)CC1,YOPBQUQMTINOGY-UHFFFAOYSA-N
rxn:4:187582:223775,COc1ccc2c(c1)c(-c1cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c1)cn2C(=O)OC(C)(C)C,ZBZDVOGLQMZNDV-UHFFFAOYSA-N
rxn:4:187586:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c(Cl)cn1,VAHITEWTCQHXNU-UHFFFAOYSA-N
rxn:4:187592:223189,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccc(NS(C)(=O)=O)cc3F)c2)CC1,MGBVBVCUSGVQSZ-UHFFFAOYSA-N
rxn:4:187594:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)s2)CC1,HZYHUXMDYSRDJE-UHFFFAOYSA-N
rxn:4:187594:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,JLNSRNKUYZDLTA-UHFFFAOYSA-N
rxn:4:187595:223886,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,BUAXWEHWRBMFSN-UHFFFAOYSA-N
rxn:4:187622:224590,CC1CCN(Cc2ccc(-c3cc(CN4CCC(C)CC4)ccc3OC(C)C)c(F)c2)CC1,LSHMFTSWTGWMJK-UHFFFAOYSA-N
rxn:4:187625:224589,CC1CCN(Cc2cc(F)ccc2-c2cccc(OC(C)C)c2CN2CCC(C)CC2)CC1,TWSFCDPPQIGJQG-UHFFFAOYSA-N
rxn:4:187631:225799,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3cncc(OC4CCOCC4)c3)cc2)CC1,VQZWVQNGKGPRON-UHFFFAOYSA-N
rxn:4:187662:226773,COC(=O)c1c(Cl)ccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,KMCIGGNXOIKESP-UHFFFAOYSA-N
rxn:4:187670:226736,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(C(F)(F)F)cc2C#N)c1,KIPKGMWXJAVRFR-UHFFFAOYSA-N
rxn:4:187807:223787,CCOC(=O)c1cc2cc(C(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2[nH]1,MPWZBHANXQOAAM-UHFFFAOYSA-N
rxn:4:187927:223831,COC(=O)Cn1c(-c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2C)c(C)c2cc(Cl)c(F)cc21,CZMISWIGFVMJSI-UHFFFAOYSA-N
rxn:4:187995:223886,CCc1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,RRHILYMAUCFDMJ-UHFFFAOYSA-N
rxn:4:187995:224274,CCc1cc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,FVBHSSICOGEEPO-UHFFFAOYSA-N
rxn:4:187995:226652,CCc1cc(-c2cc(C)nn2C2CCCCO2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,CVSJFTXASVBJNV-UHFFFAOYSA-N
rxn:4:188460:223503,COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,XVAANDWXCACVEW-UHFFFAOYSA-N
rxn:4:188460:223594,COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MNIZSWABVWNYCU-UHFFFAOYSA-N
rxn:4:188562:223506,COC(=O)c1cnc(OC)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FXCLORKYFLQAPQ-UHFFFAOYSA-N
rxn:4:188659:223743,Cc1ccc(-c2cc(OC(F)F)c(C)cc2[N+](=O)[O-])cc1OCCCN1CCC(C)CC1,GZZRFYKQIUOPBW-UHFFFAOYSA-N
rxn:4:188711:223507,CCOc1ncc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,NCLIRZSWKBKFAU-UHFFFAOYSA-N
rxn:4:188732:223695,CC(=O)Cc1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cccc1[N+](=O)[O-],LISMIAPGPFTSRO-UHFFFAOYSA-N
rxn:4:188786:223787,Cc1c(CC#N)cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1C(F)(F)F,PKCMZLJFFZQIEX-UHFFFAOYSA-N
rxn:4:188928:223575,COc1ccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=N)(=O)C(F)(F)F,NTHCQCSVEWZKRI-UHFFFAOYSA-N
rxn:4:189213:222773,O=C(NC1CCOCC1)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2F)cc1,JMDCHYIDWDCDSV-UHFFFAOYSA-N
rxn:4:189590:223504,COc1cccc(-c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1,FWTFICIIINCNMH-UHFFFAOYSA-N
rxn:4:189603:224762,Cc1cccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1C(=O)ON1C(=O)CCC1=O,UTOZPJGFLKMWNP-UHFFFAOYSA-N
rxn:4:189766:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3C(F)(F)F)cc2C1,QMAVMPWZDXQLNJ-UHFFFAOYSA-N
rxn:4:189874:223997,Cc1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCOCC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,FEOLUUQCBTVBAD-UHFFFAOYSA-N
rxn:4:189922:222611,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1OC,AKNOZXVJIOOYRB-UHFFFAOYSA-N
rxn:4:189922:223505,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WRLLGNAEBXGFOU-UHFFFAOYSA-N
rxn:4:190125:223598,COC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1N1CCCCC1,ZIGFULGQFLYREP-UHFFFAOYSA-N
rxn:4:190136:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C4CCN(CC(F)(F)F)CC4)cc3)cc21,WHGXHGSBSNFEJU-UHFFFAOYSA-N
rxn:4:190238:224286,COC1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)c(F)cc2F)CC1,OOGVIQLOTAVWNW-UHFFFAOYSA-N
rxn:4:190377:225344,COc1ccc(-c2cc(C(F)(F)F)cnc2OC(C)C)cc1S(=O)(=O)N1CCC(C)CC1,QWDAZNJNTOZLEP-UHFFFAOYSA-N
rxn:4:190379:224884,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(CN2CCC(C)CC2)c1,CNFJYGPYHSYQLD-UHFFFAOYSA-N
rxn:4:190381:224009,COc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCC(OC)C3)c2)cc1S(=O)(=O)N1CCOCC1,IIFCRMCLBAYCGS-UHFFFAOYSA-N
rxn:4:190823:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2=O,HQCIUBCVUIBYGR-UHFFFAOYSA-N
rxn:4:190933:222947,CC1c2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)ccc2C(=O)N1C(=O)OC(C)(C)C,ARMHTKODJURZKJ-UHFFFAOYSA-N
rxn:4:190991:223521,CC(c1cccc(-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FZLMULAQWMBGRD-UHFFFAOYSA-N
rxn:4:190991:223788,CC(C)(C)OC(=O)N1CCSc2cc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)ccc2C1,AHHCJBFWLGBPNP-UHFFFAOYSA-N
rxn:4:191121:224356,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)c(F)c1C2=O,BYIUPXLBKXUGTR-UHFFFAOYSA-N
rxn:4:191121:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc2c(c1F)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,CYURFGUFIWOISK-UHFFFAOYSA-N
rxn:4:191129:223883,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)ccc3O2)CC1,BZFZBIKBGLDAEQ-UHFFFAOYSA-N
rxn:4:191129:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc2c(c1)CCC1(CCN(C(=O)OC(C)(C)C)CC1)O2,HPKFSMFCHFDIMR-UHFFFAOYSA-N
rxn:4:193122:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cc(C(=O)N4CCCC4)cc(F)c3F)c2)C1,MRCZIVLDIPEQBW-UHFFFAOYSA-N
rxn:4:193139:223490,Cc1ccc(-c2ccccc2CN2CCCC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DRLZLZYQVOHBAX-UHFFFAOYSA-N
rxn:4:193391:222702,FC(F)(F)c1ccc(C2CCCNC2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,CJYHHXDQTAMXCN-UHFFFAOYSA-N
rxn:4:193391:224366,FC(F)(F)Oc1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1OCC1CC1,BJCCPYWQBIYAQT-UHFFFAOYSA-N
rxn:4:193499:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCC(=O)CC2)c1,IHQRXSOMCDOPSL-UHFFFAOYSA-N
rxn:4:193631:223699,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,JKGZGZGNKWJYFW-UHFFFAOYSA-N
rxn:4:193664:223502,Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(CN2CCOCC2)c1,CPENCCBOXFYBIC-UHFFFAOYSA-N
rxn:4:193669:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC)cc(N4CCCCC4)c3)cc2C)CC1,XLYSQTNZXZZMLG-UHFFFAOYSA-N
rxn:4:193683:222546,C[C@H]1COCCN1Cc1ccc(F)c(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,FUXXGYFKKTVDSQ-IBGZPJMESA-N
rxn:4:193684:223528,Cc1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(CN2CCOCC2)c1F,BHUNOQZSFJYTQC-UHFFFAOYSA-N
rxn:4:193685:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,WDTDZDUJGFKGEM-UHFFFAOYSA-N
rxn:4:193809:223786,CC1CCN(Cc2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc2Cl)CC1,WTGNRVQHOZUANT-UHFFFAOYSA-N
rxn:4:193842:223508,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1,BGARRPNTDKBVLA-UHFFFAOYSA-N
rxn:4:193881:224246,CC1CCN(C(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2F)CC1,LXQXDGQXXNUIGZ-UHFFFAOYSA-N
rxn:4:193888:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(S(=O)(=O)N4CCC(F)(F)CC4)c3)cc2)CC1,DZCPEIXEHDJZSI-UHFFFAOYSA-N
rxn:4:193908:223658,Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,CQGCQAFOEZFERA-UHFFFAOYSA-N
rxn:4:193935:225747,Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)n1C(=O)OC(C)(C)C,VGTFNIUTBDFYGU-UHFFFAOYSA-N
rxn:4:193957:222629,Cc1ccc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)cc1S(=O)(=O)N1CCC(C)CC1,SMENNYSTQDXYFO-UHFFFAOYSA-N
rxn:4:193959:224376,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,GGXOSUWJTBJEGS-UHFFFAOYSA-N
rxn:4:194001:222623,CCC(C)c1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc(C2CCNCC2)n1,CLZJHZQZBTYHQY-UHFFFAOYSA-N
rxn:4:194528:222604,COc1ccc(-c2cccc3c2CCN(C(=O)C2CC2)C3)cc1S(=O)(=O)NC1CCCC1,RDAMLXPFIBDBFQ-UHFFFAOYSA-N
rxn:4:194810:224824,COC(=O)C1=C2CCCN2c2cc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)ccc2S1(=O)=O,QYZUGZYMHLFUNH-UHFFFAOYSA-N
rxn:4:194821:223659,CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,LTJTVQCUEKHARF-UHFFFAOYSA-N
rxn:4:195581:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(S(C)(=O)=O)c3)cc2Cl)CC1,AVLZLALPLIHPAD-UHFFFAOYSA-N
rxn:4:196467:223606,CN1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)o2)SC1=S,XWJNJMVITCPEPV-UHFFFAOYSA-N
rxn:4:197963:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc3c(c2)CN([C@H]2CC[C@H](C)CC2)C3=O)cc1,AFJVXSWCVVVOOE-LBZQVFOQSA-N
rxn:4:199243:223698,CC1(C)C(=O)CCc2sc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)nc21,HTDLEPQBTYWMBW-UHFFFAOYSA-N
rxn:4:199642:224321,CCN1CCN(CCCOc2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2Cl)CC1,NSDQLCUEWPGPTG-UHFFFAOYSA-N
rxn:4:199642:224591,CCN1CCN(CCCOc2ccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)cc2Cl)CC1,VEQGEYLNADKXAN-UHFFFAOYSA-N
rxn:4:199652:227554,COC(=O)c1c(F)cccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-],ISUBBMISPDCJMS-UHFFFAOYSA-N
rxn:4:199693:223593,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,GVXFCDJARVKKFU-UHFFFAOYSA-N
rxn:4:199705:223831,CCN1CCN(CCCOc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)ccc2C)CC1,ZPHQOCRSGHEEQE-UHFFFAOYSA-N
rxn:4:199705:225309,CCN1CCN(CCCOc2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3Cl)ccc2C)CC1,VXKRZRMEOIHIHB-UHFFFAOYSA-N
rxn:4:199706:224570,CC(C)N1CCN(CCCOc2c(F)cccc2-c2ccc(C(C)N3CCN(C)CC3)cc2)CC1,NJQJRQJJKXYZKZ-UHFFFAOYSA-N
rxn:4:199709:223175,CCS(=O)(=O)Nc1cccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,LCRDWWJJSBHBBH-UHFFFAOYSA-N
rxn:4:199709:223635,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,JIOOFKTXIOIETP-UHFFFAOYSA-N
rxn:4:199711:224997,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)nc2)C1,HSQKLGIDQJVAGZ-UHFFFAOYSA-N
rxn:4:199711:227554,COC(=O)c1c(F)cccc1-c1ccc(OCC2CCCN(C(=O)OC(C)(C)C)C2)cn1,RTMPIIPTANBQET-UHFFFAOYSA-N
rxn:4:199713:222891,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(OC)nc(C2CCNCC2)c1,QOUCNULIIQWBIS-UHFFFAOYSA-N
rxn:4:199716:223533,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,UEJPLDNLCXCPFV-UHFFFAOYSA-N
rxn:4:199719:224269,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cn(C(=O)OC(C)(C)C)c3cnccc23)CC1,YHLPIAJMFYOLPH-UHFFFAOYSA-N
rxn:4:199743:222802,Cc1ccc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(S(=O)(=O)NC(C)(C)C)c1,BZEJLFJOUGUAIS-UHFFFAOYSA-N
rxn:4:199743:226747,CCc1ncc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F,PBVAYJCPJUYUSQ-UHFFFAOYSA-N
rxn:4:199763:223818,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)CC1,MANHHAHMDFYLMF-UHFFFAOYSA-N
rxn:4:199766:222613,CCCNS(=O)(=O)c1ccc(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,WCYMSYZXDNIOLI-UHFFFAOYSA-N
rxn:4:199766:224052,CCCc1ccc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,CPJGPZNULASDAX-UHFFFAOYSA-N
rxn:4:199766:224057,Cc1cc(OCc2ccccc2)c(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C,KTXRIHJQWAIEAH-UHFFFAOYSA-N
rxn:4:199769:223933,COc1cc(Cl)c(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LPSYRSZSOFCXCU-UHFFFAOYSA-N
rxn:4:199769:228746,COc1cc(Cl)c(-c2cccc(C#N)c2Cl)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SQIBWKIESMLXBZ-UHFFFAOYSA-N
rxn:4:199770:228611,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(OC)ccc1C,AAIABZXSWCXYKV-UHFFFAOYSA-N
rxn:4:199789:224320,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)ccn1,LJKPZLKASPIGOW-UHFFFAOYSA-N
rxn:4:199790:223505,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,URKMKNOPUKHEMX-UHFFFAOYSA-N
rxn:4:199790:228010,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)ccc1C1CC1,YSASYAMXFGZLLQ-UHFFFAOYSA-N
rxn:4:199809:223788,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,XMEVGXHUXQCSDE-UHFFFAOYSA-N
rxn:4:199809:228427,COc1ccc(-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1Cl,IITJKGIPVUCQAU-UHFFFAOYSA-N
rxn:4:199810:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,IMVMWZJCPAZHFV-UHFFFAOYSA-N
rxn:4:199811:223595,CC1CN(C(=O)Cc2cc(F)ccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CCN1C(=O)OC(C)(C)C,FISJVDRLKWJRQW-UHFFFAOYSA-N
rxn:4:199828:223935,CN(Cc1c(Cl)cccc1-c1cc2cccc(F)c2n1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1,BFSWHHCPUGPYJY-UHFFFAOYSA-N
rxn:4:199830:227282,CC(C)c1ncc(C#N)cc1-c1ccc(Cl)c(CCN2CCN(C(=O)OC(C)(C)C)CC2C)c1,HHJKDYFVKOXGMD-UHFFFAOYSA-N
rxn:4:199834:226534,COC(=O)c1cc(OC)ccc1-c1cc(CCN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,FIFIQMJUYFKPCX-UHFFFAOYSA-N
rxn:4:199839:225899,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc(C)nn1C(=O)OC(C)(C)C,OMURUXPESFJESD-GOSISDBHSA-N
rxn:4:199846:222730,CCCc1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2)cc(C2CCNCC2)n1,FYFDHKPQHJSUGD-UHFFFAOYSA-N
rxn:4:199846:225165,CCOc1ccc(-c2ccc(N3CCOCC3)c(OC)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,WITWYUOJCBMUHC-UHFFFAOYSA-N
rxn:4:199863:222628,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,AVEBIHARRSUVCF-UHFFFAOYSA-N
rxn:4:199863:222719,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,DNSZTKGUYDQKQD-UHFFFAOYSA-N
rxn:4:199863:224761,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,YNTBVCYEVWQLCL-UHFFFAOYSA-N
rxn:4:199883:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c1,SVVIRWMLPHUUBI-UHFFFAOYSA-N
rxn:4:200008:224290,O=C(OCc1ccccc1)N1CCC(Cn2ccc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)ccc32)CC1,UOLZWGUUZPQBMQ-UHFFFAOYSA-N
rxn:4:200353:222948,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1cnc(N2CCC(O)CC2)nc1Cl,XLTGWKWQVLLSNP-UHFFFAOYSA-N
rxn:4:200357:223810,Cc1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCOC(C)C2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,REHNWCONWYVVFN-UHFFFAOYSA-N
rxn:4:200371:226715,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3cnn(C(=O)OC(C)(C)C)c3)c2)C1,ILXAMJHJCCPJDT-UHFFFAOYSA-N
rxn:4:200384:227610,O=C(CCc1ccccc1-c1ccn(C2CCCCO2)n1)N1CC(N2C(=O)COC2=O)C1,DCVFJYPQKDUGLO-UHFFFAOYSA-N
rxn:4:200436:223695,CCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,QELGOFKEQHHSHC-UHFFFAOYSA-N
rxn:4:200475:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(CCOC)CC4)cc3)cc2C)CC1,DTDOVBODNAIDPR-UHFFFAOYSA-N
rxn:4:200477:223530,COc1ncc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1C1CN(C(=O)OC(C)(C)C)C1,BEVFPNRURXQJHP-UHFFFAOYSA-N
rxn:4:200477:223577,COc1ncc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C1CN(C(=O)OC(C)(C)C)C1,GHNHNWXDNSABMY-UHFFFAOYSA-N
rxn:4:200555:223932,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)n2)C1,OLRNPXHLCKTASP-UHFFFAOYSA-N
rxn:4:200557:222540,CCCCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,ILCLMJSOENEHEX-UHFFFAOYSA-N
rxn:4:200559:223044,CC(C)NC(=O)c1ccc(-c2coc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,QXKYVGDXCFHUMD-UHFFFAOYSA-N
rxn:4:200559:223104,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)co2)CC1,RGLXGGHFNVWGDW-UHFFFAOYSA-N
rxn:4:200559:225741,CCCCOc1c(F)cc(-c2coc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,RWNJWSNWMNSVEI-UHFFFAOYSA-N
rxn:4:200561:224182,CCN1CCN(Cc2ccc(-c3ccc(OCCN4CCOCC4)c(C)c3)cc2C(=O)OC)CC1,IUCYOFFBYQJFSO-UHFFFAOYSA-N
rxn:4:200600:223180,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)NOC)c(F)c1,RDDVBVOYBLRQBU-UHFFFAOYSA-N
rxn:4:200600:225733,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OCCC)c(F)cc1F,WPYYXSHEBXBKEP-UHFFFAOYSA-N
rxn:4:200603:225877,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(Cl)cc3N3CCOCC3)c2)CC1,AUPSUKOYLJOMRW-UHFFFAOYSA-N
rxn:4:200604:223578,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)C1,HMUIHSUACCMJQS-RUZDIDTESA-N
rxn:4:200643:223592,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)nc2)CC1,VKIYHKVJDPBSQL-UHFFFAOYSA-N
rxn:4:200643:226747,CCc1ncc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1C(F)(F)F,JVCBDCRYBDEQOA-UHFFFAOYSA-N
rxn:4:200652:223490,Cc1ccc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CQTGICNVGSAPGB-UHFFFAOYSA-N
rxn:4:200655:223777,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2C#N)CC1,UQNIPVARUGJZLP-UHFFFAOYSA-N
rxn:4:200671:226503,CON(C)C(=O)c1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,OEKQYPIQUXYHIO-UHFFFAOYSA-N
rxn:4:200671:227047,O=C(CCc1ccccc1-c1cccc(SC2CCC2)c1)N1CCC(N2C(=O)COC2=O)CC1,RLTAYLXZAHJEAR-UHFFFAOYSA-N
rxn:4:200671:227700,COc1ccc([N+](=O)[O-])c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,FQTJYDRAJNOLSE-UHFFFAOYSA-N
rxn:4:200671:228265,CC(=O)c1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1Cl,QIZLCWABLKDJBB-UHFFFAOYSA-N
rxn:4:200695:224290,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)CC1,LUMKZRIVFSAAGD-UHFFFAOYSA-N
rxn:4:200698:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,UBGLKRICIPHCHU-UHFFFAOYSA-N
rxn:4:200704:223637,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,OKHRSMHSJJZFLO-UHFFFAOYSA-N
rxn:4:200705:222729,CCCc1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc(C2CCCNC2)n1,VYEBTYLTUPNAFU-UHFFFAOYSA-N
rxn:4:200721:224162,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c2)CC1,IGHQMFRWDNJKLS-UHFFFAOYSA-N
rxn:4:200724:223774,COc1cccc2c1cc(-c1ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c1)n2C(=O)OC(C)(C)C,HWIBNXDDPZSXHL-UHFFFAOYSA-N
rxn:4:200727:223940,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc2F)CC1,CJALMOPZNWKXDC-UHFFFAOYSA-N
rxn:4:200729:223578,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)CC1,SJKBFKRABODKDU-UHFFFAOYSA-N
rxn:4:200729:227698,COc1ncc(Cl)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(F)(F)F)c1OC,PGBFEUZKVFYBAB-UHFFFAOYSA-N
rxn:4:200730:223761,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2C(F)(F)F)CC1,WDUYVOBKHQQQLZ-UHFFFAOYSA-N
rxn:4:200730:223777,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c2C(F)(F)F)CC1,DQCTWSPBKYJYJE-UHFFFAOYSA-N
rxn:4:200733:223932,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1,JYSPHIFYIIXZLP-UHFFFAOYSA-N
rxn:4:200740:223940,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)c(F)cc2F)CC1,JAYAFDFYKZQKEZ-UHFFFAOYSA-N
rxn:4:200740:224280,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)c(F)cc2F)CC1,HPQIGSLGOGMOND-UHFFFAOYSA-N
rxn:4:200740:226502,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccn(C(=O)OC(C)(C)C)c3)c(F)cc2F)CC1,WQTQRIGLYOFFFQ-UHFFFAOYSA-N
rxn:4:200760:224997,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)N2CCCCC2)cc1,FBIXGCIHPTVYDC-UHFFFAOYSA-N
rxn:4:200763:223520,COc1ncc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,XCLXSCUPYMUORV-UHFFFAOYSA-N
rxn:4:200772:222916,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2F)CC1,DXDGEVGANOBXMI-UHFFFAOYSA-N
rxn:4:200781:223937,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)c1,UCHWKBAAPHIPET-UHFFFAOYSA-N
rxn:4:200791:222974,C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(C(=O)NC(C)(C)C)cc3)c2)CCN1C(=O)OC(C)(C)C,SURYVOBWZRMGJH-SFHVURJKSA-N
rxn:4:200799:226769,COC(=O)c1cc(F)c(F)c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,UNFIOHYPJKFHJN-UHFFFAOYSA-N
rxn:4:200802:222776,CCOc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,CBANJRVBXLKFQM-UHFFFAOYSA-N
rxn:4:200817:223106,CC(c1ccccc1-c1cnc(N2CCC(O)C2)nc1Cl)N1CCN(C(=O)OC(C)(C)C)CC1,LEFQZLHXTXSTHE-UHFFFAOYSA-N
rxn:4:200817:223574,CC(c1ccccc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,YKYROYOTLSKJLY-UHFFFAOYSA-N
rxn:4:200818:223941,C[C@H]1CN(Cc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c(Cl)c2)CCN1C(=O)OC(C)(C)C,ISGCKJMCHFVDQL-IBGZPJMESA-N
rxn:4:200823:223225,CCNC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GISYZRNMLFRSRA-UHFFFAOYSA-N
rxn:4:200823:224062,Cc1ccc(C)c(COc2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)c1,JSSXXRNCIGCXMD-UHFFFAOYSA-N
rxn:4:200824:223775,COc1ccc2c(c1)c(-c1ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)cn2C(=O)OC(C)(C)C,UUKUJPHQEVBJAF-UHFFFAOYSA-N
rxn:4:200824:226549,CCOc1c(Cl)cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,LGFQDEVPOBQGFU-UHFFFAOYSA-N
rxn:4:200825:228226,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C#N)cc(Cl)c1C,BUWAPKXVMYDTIG-UHFFFAOYSA-N
rxn:4:200826:223928,Cc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UWMZTECFGUCTEL-UHFFFAOYSA-N
rxn:4:200826:224323,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,FYVQFGIORXQVCJ-UHFFFAOYSA-N
rxn:4:200828:222596,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c(F)cc1F,ALBDWFJEXFHVBD-UHFFFAOYSA-N
rxn:4:200828:223635,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)cc1F,SUKJSXQZQRSAJS-UHFFFAOYSA-N
rxn:4:200839:224278,COc1c(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,QJCRABFROYDDPY-UHFFFAOYSA-N
rxn:4:200839:227916,COc1c(-c2ccc(OC3CC3)cc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,PJJYGCHIKMSDPN-UHFFFAOYSA-N
rxn:4:200844:223520,CC(c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,SJKJILBUOMQQAT-UHFFFAOYSA-N
rxn:4:200844:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC2)c1,PFHACMVHNJMORT-UHFFFAOYSA-N
rxn:4:200882:223885,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c1)C2,DYMRDXLOXPNCRB-UHFFFAOYSA-N
rxn:4:200882:228758,CSc1ncc(C)cc1-c1cccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1,PDAOFBPVOLCJIB-UHFFFAOYSA-N
rxn:4:200884:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)c2F)cc1,MQUCKMFSOBKWFP-UHFFFAOYSA-N
rxn:4:200884:223787,CN1CCN(CCCOc2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2F)CC1,GDWQUFBTXKALOG-UHFFFAOYSA-N
rxn:4:200891:223506,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C)CC1,WDDHXKXBKYYPED-UHFFFAOYSA-N
rxn:4:200892:223061,CCOc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,UFUQKZUTFQXFOF-UHFFFAOYSA-N
rxn:4:200897:223994,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,ZULHYCMHRCDZJK-UHFFFAOYSA-N
rxn:4:200903:225977,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(Cl)cnc3N3CCOCC3)cc2C(C)C)CC1,WWJMTZZNWWPMHS-UHFFFAOYSA-N
rxn:4:201089:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)ccc3s2)CC1,IUPXTFKHTQZZMP-UHFFFAOYSA-N
rxn:4:201089:224962,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccccc4COC4CCOCC4)ccc3s2)CC1,MRSFVHHDMHHIDF-UHFFFAOYSA-N
rxn:4:201124:223683,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)ccc32)CC1,ZORRVWXBZVEIHA-UHFFFAOYSA-N
rxn:4:201124:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc2c(ccn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,AFYHQMIRGROVIK-UHFFFAOYSA-N
rxn:4:201150:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2,PEXXUHJZMVGPND-UHFFFAOYSA-N
rxn:4:201151:225947,CN1CCN(c2ncc(-c3ccc4c(c3)CCN(CC3CCCN(C(=O)OC(C)(C)C)C3)C4)cn2)CC1,JLSZPQBYEAVOFH-UHFFFAOYSA-N
rxn:4:201212:223540,COC(=O)CCn1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cn1,JCEYXOTYKMLYJR-UHFFFAOYSA-N
rxn:4:201234:223696,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)[nH]c1C(F)(F)F,BDMMBWLOXCYTME-UHFFFAOYSA-N
rxn:4:201234:224015,CCOC(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)[nH]c1C(F)(F)F,ZJNYCIJRUUHIMK-UHFFFAOYSA-N
rxn:4:201538:223598,COc1cc(-c2nnc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)o2)cc(OC)c1OC,ODJREKUDGAOOIU-UHFFFAOYSA-N
rxn:4:201645:223790,CC(C)(C)OC(=O)N1CC(c2csc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)C1,KCVJVBIEBMNPRR-UHFFFAOYSA-N
rxn:4:201704:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)cc1,DZQGYMDHXXYATE-UHFFFAOYSA-N
rxn:4:201775:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)c1,HEZJYISVOAUVQT-UHFFFAOYSA-N
rxn:4:201790:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,QYQROTMGAAGEAG-UHFFFAOYSA-N
rxn:4:201824:225324,CCn1nc(C)c(-c2cn(CCC(C)C)nc2C(F)(F)F)c1COC1CCCCO1,PIKSKLLMCSANKP-UHFFFAOYSA-N
rxn:4:201923:223536,CC(C)(C)OC(=O)N1CCC(c2csc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,AKROTHHUWWJPIP-UHFFFAOYSA-N
rxn:4:201927:223938,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cs2)CC1,WVDFUACUYHUBTO-UHFFFAOYSA-N
rxn:4:201937:223753,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,VHVNMBJDTVSOIH-UHFFFAOYSA-N
rxn:4:201945:222929,CC(C)(C)OC(=O)N1CCC[C@@H]1c1cncc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)c1,RUXMUCASENOWDK-HXUWFJFHSA-N
rxn:4:201945:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)c2)C1,WXFKVKWLRDKSIB-ANWICMFUSA-N
rxn:4:201958:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2F)cc1,UJFZBSJRZGEGBB-UHFFFAOYSA-N
rxn:4:201994:224956,CC(C)(C)OC(=O)c1cc(-c2cccc(O[Si](C)(C)C(C)(C)C)c2)nc(N2CCOCC2)c1,HZFPXYPNPXNHGC-UHFFFAOYSA-N
rxn:4:201994:225979,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)c(Cl)c2)nc(N2CCOCC2)c1,SMCKDDREIGVQME-UHFFFAOYSA-N
rxn:4:202001:224366,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)c1,UMQXXNPAXAZRKY-UHFFFAOYSA-N
rxn:4:202007:224128,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1,KDJXGQRIKACQIP-UHFFFAOYSA-N
rxn:4:202007:225641,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(N2CCCC(C)C2)c1,FSDBVZXFPDZPFN-UHFFFAOYSA-N
rxn:4:202008:222741,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,GGDACKGEJLEOSB-UHFFFAOYSA-N
rxn:4:202022:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cc2)CC1,WTCGZIHKLQYWHY-UHFFFAOYSA-N
rxn:4:202022:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cc2C1,FWYWCOBFEAHPJE-UHFFFAOYSA-N
rxn:4:202095:226182,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccnc1C1CCCCC1,WKLMEHGESDGCFO-UHFFFAOYSA-N
rxn:4:202101:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1csc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,BONDTKMKBKGHJI-UHFFFAOYSA-N
rxn:4:202103:223530,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,XIAKLGGPBRVEIY-UHFFFAOYSA-N
rxn:4:202104:223932,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccn2)CC1,RZSYEMGKYWNZRH-UHFFFAOYSA-N
rxn:4:202106:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cc2C1,SQARCLBRAAPYKK-UHFFFAOYSA-N
rxn:4:202107:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,NGWYXXGROKJVLN-UHFFFAOYSA-N
rxn:4:202108:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ncccc3C3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,SENGFFFHSYMMPY-UHFFFAOYSA-N
rxn:4:202127:225394,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2cc(C3CCC3)cc(C3CC3)c2)CC1,UVKWRNCIJVBTFV-UHFFFAOYSA-N
rxn:4:202130:225232,CC1CCN(c2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)cnc2Cl)CC1,VEWJIKDTWZWCCJ-UHFFFAOYSA-N
rxn:4:202133:223646,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,LJOFLTNEGWLADI-UHFFFAOYSA-N
rxn:4:202153:228296,CCOC(=O)c1occc1-c1cccc(C=C2SC(=S)N(CC(=O)N3CCCCC3)C2=O)c1,QQUTZBPMFRFFQU-UHFFFAOYSA-N
rxn:4:202170:225926,O=C(C1CN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)CCO1)N1CCCC1,LMKZWGGTJIVORN-UHFFFAOYSA-N
rxn:4:202175:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1,WKFXRRTUPZFFSF-UHFFFAOYSA-N
rxn:4:202175:224817,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1,YELYCSIEHWXFNJ-UHFFFAOYSA-N
rxn:4:202201:225297,O=C(C1CN(Cc2cccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c2)CCO1)N1CCOCC1,GBXXINJGGKJURW-UHFFFAOYSA-N
rxn:4:202205:223992,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)cc1,TUDFRTINUMPJSK-UHFFFAOYSA-N
rxn:4:202205:224817,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)CC2)cc1,HKNZJLZSTFWABE-UHFFFAOYSA-N
rxn:4:202233:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCCC(C)C2)nc1C(=O)OC(C)(C)C,XXQGXGYPOPYMRZ-UHFFFAOYSA-N
rxn:4:202236:224270,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c1,LGUPPNGRHOIMNI-UHFFFAOYSA-N
rxn:4:202237:223886,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cn1,HFVVYLVGOCVJKE-UHFFFAOYSA-N
rxn:4:202274:223895,CCN1CCN(CCOc2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2)CC1,DMHLFHZNJDEVNX-SAIUNTKASA-N
rxn:4:202298:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5)CC4)c(OC)cc3C)c2)CC1,ZUOOZTXSWPYOBT-UHFFFAOYSA-N
rxn:4:202303:222537,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,APRFUAZJFGQYJD-UHFFFAOYSA-N
rxn:4:202306:223597,CCN1CCN(Cc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc(C(C)(C)C)c2)CC1,ZNBPUTOXHYNZRM-UHFFFAOYSA-N
rxn:4:202306:224080,CCN1CCN(Cc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,BYTBXOIIAGQWLH-UHFFFAOYSA-N
rxn:4:202306:224088,CCN1CCN(Cc2cc(-c3ccc(OCCN4CCCCCC4)cc3)cc(C(C)(C)C)c2)CC1,ZAKFXAOAYXPVNX-UHFFFAOYSA-N
rxn:4:202309:222623,CCC(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)cc(C2CCNCC2)n1,ZUWSWZTXLARHMG-UHFFFAOYSA-N
rxn:4:202318:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4nc(S(=O)(=O)c5ccc(C)cc5)c(N5CCOCC5)o4)cc3)cc2)CC1,RXXAUMJWLYDIEU-UHFFFAOYSA-N
rxn:4:202330:223489,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,XJIZJHXRTJOKSR-UHFFFAOYSA-N
rxn:4:202330:224156,COc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,DGPURIYPTUMFSO-UHFFFAOYSA-N
rxn:4:202331:225763,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)c(C)cc1OC,TXSMROIIRIXOJV-UHFFFAOYSA-N
rxn:4:202349:222741,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc2)CC3)cc1,AVVRUVXZIOTKMX-UHFFFAOYSA-N
rxn:4:202461:224254,CC1CCCN(C(=O)c2cc(-c3ccc4c(c3)c(C(F)(F)F)nn4C(=O)OC(C)(C)C)ccc2F)C1,BYGSKJXTRHYIIP-UHFFFAOYSA-N
rxn:4:202564:222929,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cc3C2=O)C1,SVCVHLRYFFBLSU-UHFFFAOYSA-N
rxn:4:202636:224684,O=C1CCN(C(=O)c2ccc(-c3ccc4oc(=O)c(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4c3)cc2)CC1,JCKNLXMGMNGBLQ-UHFFFAOYSA-N
rxn:4:202689:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)CN(C3CCC(=O)N(C(=O)OC(C)(C)C)C3=O)C4=O)c2)CC1,YEACDNXLIQZDPS-UHFFFAOYSA-N
rxn:4:202706:224323,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc(C)c1S(=O)(=O)N1CCCC1,LCFSUAMXSVMXPC-UHFFFAOYSA-N
rxn:4:202712:226457,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccc(C5CCOC5)c(F)c4)ccc3C2=O)C1,HVHBAZGHNCCJME-IAXKEJLGSA-N
rxn:4:202712:228911,COc1ccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)c(F)n1,LUWZAHYSBWAXCK-KRWDZBQOSA-N
rxn:4:202713:223507,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccccc4S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C2=O)CC1,ZWCRVLWBXMLTHU-UHFFFAOYSA-N
rxn:4:202726:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(c3)CCN4C3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,QBKRCIVSYDOZAX-UHFFFAOYSA-N
rxn:4:202734:224018,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,RAZZDPFDAVXNRF-UHFFFAOYSA-N
rxn:4:202755:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CO2,PWPPHMXFSHILBW-UHFFFAOYSA-N
rxn:4:202807:223195,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CNC(C)C)cc2)cc1,QFFONGZPXXFBRD-UHFFFAOYSA-N
rxn:4:202984:223695,CCOc1cc(C(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,PLRLHXORNCODPS-UHFFFAOYSA-N
rxn:4:203139:223539,CCOC(=O)c1c(C)nn(C)c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,XLSCUVVMPLZKFN-UHFFFAOYSA-N
rxn:4:203156:223606,COC(=O)C(C)(C)n1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1F,DSNAOEZKTXALKW-UHFFFAOYSA-N
rxn:4:203464:223682,COC(=O)c1nc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)sc1N1CCOCC1,IONYSPMSNXIQLN-UHFFFAOYSA-N
rxn:4:203545:225943,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)o1)N1CC(N2C(=O)CSC2=O)C1,PNPBXUXPATTWPY-UHFFFAOYSA-N
rxn:4:203708:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccccc1C(=O)N1CC(N2C(=O)COC2=O)C1,FJYNQYHIXQIHAG-UHFFFAOYSA-N
rxn:4:203782:224290,COc1cc(N2CCCC(F)(F)C2)c(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1[N+](=O)[O-],FGSBBUIZOXRMPB-UHFFFAOYSA-N
rxn:4:203833:225987,O=C(c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,MQTXEKAYRNHHCU-UHFFFAOYSA-N
rxn:4:203841:225573,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc(C2CC2)c1,YKPNVMHKURIYNV-UHFFFAOYSA-N
rxn:4:203895:224820,CCS(=O)(=O)N1CCN(c2ccccc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,INVXTDWKSFBORY-UHFFFAOYSA-N
rxn:4:203904:224089,COc1cc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc(C(=O)N2CCN(C)CC2)c1F,PNDSLDOEEQBUIN-UHFFFAOYSA-N
rxn:4:203907:223810,Cc1cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C)CC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,DXACONFQKREFGP-UHFFFAOYSA-N
rxn:4:203914:225978,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)c(C(F)(F)F)c2)CC1,WOCZKOOCLBGHIY-UHFFFAOYSA-N
rxn:4:203915:223696,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1,VRUKSYBXHBYJIW-UHFFFAOYSA-N
rxn:4:203939:223844,O=S(=O)(c1ccc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)c(C(F)(F)F)c1)N1CCCC1,RGIUVORWOYPPFE-UHFFFAOYSA-N
rxn:4:203940:222622,CCC(C)c1cc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc(C2CCCNC2)n1,QIESPWKFZFFOEV-UHFFFAOYSA-N
rxn:4:203977:226469,CN1C(=O)COc2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)CSC4=O)CC3)cc21,MANBLKXTQPGMAC-UHFFFAOYSA-N
rxn:4:203977:226541,COC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1OC,WZYKZDUCCFBZLH-UHFFFAOYSA-N
rxn:4:203985:226578,CN(C)C(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1Cl,DRLVODCQSQMGKG-UHFFFAOYSA-N
rxn:4:203985:227326,COC(=O)c1ccc(C)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,ARHRMEWUXHBKLC-UHFFFAOYSA-N
rxn:4:203987:228870,COC(=O)c1csc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,KXVGQAWXYQWLRL-UHFFFAOYSA-N
rxn:4:204046:228484,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])c(F)c2)CC1,NFFXCVJPRVKECX-UHFFFAOYSA-N
rxn:4:204057:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,ZLVPKGJUXBIKMZ-UHFFFAOYSA-N
rxn:4:204102:222729,CCCc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(CC)CC3)c(C)c2)cc(C2CCCNC2)n1,OVUQLYWWTHJJAL-UHFFFAOYSA-N
rxn:4:204109:224678,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F)N1CCCCC1,KMPSOCVYTMBSME-UHFFFAOYSA-N
rxn:4:204109:226010,COc1ccc(OC(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,DZAFHSUVLBREBB-UHFFFAOYSA-N
rxn:4:204109:229016,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccsc2C2CC2)CC1,SRQBYVKLFQUFID-UHFFFAOYSA-N
rxn:4:204109:229091,CC(=O)c1occc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,SQPLNZOPDAWHLZ-UHFFFAOYSA-N
rxn:4:204134:228295,CCOC(=O)n1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,LZEALMAIFADEBL-UHFFFAOYSA-N
rxn:4:204140:223892,CN1CCN(CCCOc2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,GAAKYHPNYDVURX-UHFFFAOYSA-N
rxn:4:204167:223671,CC1CCCN(Cc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2N2CCOCC2)C1,VBZXRTRCELVEEQ-UHFFFAOYSA-N
rxn:4:204168:222960,Cc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)cc(C2CCNCC2)c1,GPSXYMQYFAKAJL-UHFFFAOYSA-N
rxn:4:204168:225827,CC1CCN(Cc2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc2N2CCOCC2)CC1,XBIFRKZMSYOJNR-UHFFFAOYSA-N
rxn:4:204183:225274,COCCOc1c(F)cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c(C)c1F,YKBYDUYBWQRFKR-UHFFFAOYSA-N
rxn:4:204404:223606,CCOC(=O)c1nc2n(c1-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c1)CCCC2,IWAYKYCSWORUIJ-UHFFFAOYSA-N
rxn:4:204473:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc4c(c3)c(Cl)cn4C(=O)OC(C)(C)C)c(F)cn2)CC1,QNLKGWUMWIEZQV-UHFFFAOYSA-N
rxn:4:204475:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)cn2)CC1,MNNNDXOAAKZCFY-UHFFFAOYSA-N
rxn:4:204514:224160,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cnc2C1,QVKMWAQJYGFWME-UHFFFAOYSA-N
rxn:4:204556:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,ABIOIVNIEQGNFD-UHFFFAOYSA-N
rxn:4:204600:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(n3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,LXVKUYXDYXSHLQ-UHFFFAOYSA-N
rxn:4:204600:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(n3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,UPEMJUBLXDIGRO-UHFFFAOYSA-N
rxn:4:204600:223773,COc1cccc2cc(-c3ccc4c(n3)CN(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c12,QLIGMYHSLAZZNM-UHFFFAOYSA-N
rxn:4:204601:224162,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2C1,PJXMCMQYTPTJEV-UHFFFAOYSA-N
rxn:4:204603:222810,CC(C)(C)OC(=O)Nc1cc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)c(Cl)cn1,MDDFCIHXFAJCBM-UHFFFAOYSA-N
rxn:4:204603:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,ZUIBSUQNMUBPFS-UHFFFAOYSA-N
rxn:4:204603:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)cc(F)c2F)CC1,CLKPRQXANWHZCZ-UHFFFAOYSA-N
rxn:4:204603:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)c(Cl)c2)CC1,UYPPHBKFNGRZKJ-UHFFFAOYSA-N
rxn:4:204603:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cncc2c1CCN(C(=O)OC(C)(C)C)C2,NQVZQMRKGOTJPA-UHFFFAOYSA-N
rxn:4:204605:223501,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc21,XXTKXTJZNXXENM-UHFFFAOYSA-N
rxn:4:204682:223638,Cc1cc2c(c(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n1)CN(C(=O)OC(C)(C)C)CC2,WDGYJOQZJWUWCE-UHFFFAOYSA-N
rxn:4:204683:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)cc21,IQCVJECRUXMKGV-UHFFFAOYSA-N
rxn:4:204718:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC4c4nc5ccccc5s4)cc3)ccc2C)CC1,LSYHBCRAIGONHY-UHFFFAOYSA-N
rxn:4:204780:222480,Cc1cccc(NC(=O)c2cc(-c3ccc(S(=O)(=O)N4CC(N5CC6CCCC6C5)C4)cc3)ccc2F)c1C,QPCJVSAZXAFVMH-UHFFFAOYSA-N
rxn:4:204923:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(Cn4c(=O)c5ccccc5n5c(=S)sc(-c6ccccc6Cl)c45)c3)c(F)c2)CC1,WUKXYNLCWGKMSC-UHFFFAOYSA-N
rxn:4:206340:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)N4CCOCC4)ccn3)cc2)CC1,MOKWBJVVDUJWSU-UHFFFAOYSA-N
rxn:4:206524:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cncc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,UBTFHIXZARIYRI-UHFFFAOYSA-N
rxn:4:206525:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)nc3)cc2)CC1,MCGJBMDQHAJLMV-UHFFFAOYSA-N
rxn:4:206567:223589,CCc1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cn1C1CCCC1,XBWPHHGWPZSQPX-UHFFFAOYSA-N
rxn:4:206945:224283,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C,LUGLANXIWQPCQR-UHFFFAOYSA-N
rxn:4:206957:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,PPHGSVAHKYIEOQ-UHFFFAOYSA-N
rxn:4:206962:224198,CCN1CCN(Cc2ccc(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)c(F)c2)CC1,ITZDVKQAXDKPCB-UHFFFAOYSA-N
rxn:4:207062:224280,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,ZZCSJBOGLIPCRV-UHFFFAOYSA-N
rxn:4:207279:224015,Cc1cc(F)c(-c2nc(C(F)(F)F)n3cc(C(F)(F)F)cc(Cl)c23)cc1S(=O)(=O)N1CCOCC1,DYWYFFVXIJHUFL-UHFFFAOYSA-N
rxn:4:207426:223526,CCn1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C12CCCC1O2,URTHXKFKOBGLMT-UHFFFAOYSA-N
rxn:4:207482:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CC3SC4=NCCN4C3=O)cc2)cc1,AKYAJLFLHXCGFF-UHFFFAOYSA-N
rxn:4:207959:223787,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)ccc2OC3C2CCCCC2)cc1,UAUFJRUJOOWWPM-UHFFFAOYSA-N
rxn:4:208002:223482,CSc1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)s1,OGEGOROTVZFMSO-UHFFFAOYSA-N
rxn:4:208713:223525,Cn1ncc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1S(C)(=O)=O,DHVVJNGHWXEREK-UHFFFAOYSA-N
rxn:4:209807:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnn([C@@H]4CCCC[C@H]4C)c3)cc2C)CC1,BMMQXUIPOYYRHK-WZONZLPQSA-N
rxn:4:209891:223536,Cc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(N2CCN(C)CC2)c1,GULVJTFLNQTZDP-UHFFFAOYSA-N
rxn:4:209893:223753,Cc1ccc(-c2cc(N3CCN(C)CC3)ccc2C)cc1OCCCN1CCN(C)CC1,UACNYOJSERMFRA-UHFFFAOYSA-N
rxn:4:211089:225942,CC(C)c1ncc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc1C(F)(F)F,OXYDOBQUHMWRDV-UHFFFAOYSA-N
rxn:4:211096:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCCC3)O4)c2)CC1,CBEZTFRFMYKXLZ-UHFFFAOYSA-N
rxn:4:212234:223520,CC(c1ccc(-c2cnc3c(c2)CN=S3(C)=O)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CNWPDICLIGXIOE-UHFFFAOYSA-N
rxn:4:212515:225275,COCCOc1c(F)c(C)cc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)c1F,VZXOUONBQNWEFA-UHFFFAOYSA-N
rxn:4:212565:224819,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,WGAXBMLUNAQADW-UHFFFAOYSA-N
rxn:4:212571:223127,Cn1cc(-c2ccc(CNC3CC3)cc2F)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,URAKUCZEWVIBAJ-UHFFFAOYSA-N
rxn:4:212619:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)OC(C)(C)C)C2)nc1,MWGPRABLDKXIPE-UHFFFAOYSA-N
rxn:4:212635:227386,Cn1ncc(-c2cnn(C3CCCCC3)c2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,IMIKSGBPVLRFCU-UHFFFAOYSA-N
rxn:4:212651:223683,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)CC1,FVTDWRHSJXRXTP-UHFFFAOYSA-N
rxn:4:212651:224102,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cccc(C(=O)OCc3ccccc3)c2)CC1,GMROGJGROVWYCN-UHFFFAOYSA-N
rxn:4:212652:222584,COC(=O)c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,STPJJMJXVBQDGV-UHFFFAOYSA-N
rxn:4:212691:225799,CN(C(=O)c1ccc(-c2cncc(OC3CCOCC3)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,UJFZNGJCIYDYEP-UHFFFAOYSA-N
rxn:4:212693:224290,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,YCPNKRXLGGASKK-UHFFFAOYSA-N
rxn:4:212723:224752,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C)cc4)CC3)n2)cc1,ZJMZISUYRYYSPY-UHFFFAOYSA-N
rxn:4:212738:223525,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2N2CCOCC2)CC1,UWPIBQSOKJIDRX-UHFFFAOYSA-N
rxn:4:212741:222809,CC1CN(Cc2ccc(-c3cc(Cl)ncc3NC(=O)OC(C)(C)C)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,UDHQXSYZSJQKDK-UHFFFAOYSA-N
rxn:4:212741:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,TYIBPDXVNWLNSF-UHFFFAOYSA-N
rxn:4:212743:223659,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)CC1,PTNLZMHKWIENAH-UHFFFAOYSA-N
rxn:4:212747:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCOCC2)c1,OWWUAIVGXNZMOC-UHFFFAOYSA-N
rxn:4:212750:224081,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)cc1N1CCCCC1,BDUZSKZQATXIDA-UHFFFAOYSA-N
rxn:4:212750:224278,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cc1N1CCCCC1,CKYOYAJPBSCODP-UHFFFAOYSA-N
rxn:4:212770:227492,CCOC(=O)c1nn2c(c1-c1c(OC)ncnc1C1CC1)CN(C(=O)OC(C)(C)C)CC2,RTURSNXSPPCMKU-UHFFFAOYSA-N
rxn:4:212791:223186,CCOC(=O)c1nn2c(c1-c1cnn(C3CCCCO3)c1)CN(C(=O)OC(C)(C)C)CCC2,YGTXLMZNHQEMCB-UHFFFAOYSA-N
rxn:4:212804:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccnc3c2ccn3CC2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1,KZGTXJXIHKTRMH-UHFFFAOYSA-N
rxn:4:212816:222741,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,KNQOPIPASCDJEG-UHFFFAOYSA-N
rxn:4:212830:222948,CN(C(=O)c1cc2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,NSECBSHBDSXSIE-HXUWFJFHSA-N
rxn:4:212939:224356,CC(C)(C)OC(=O)N1CC(Cc2ncc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1,MWPAPUKFDKQMGX-UHFFFAOYSA-N
rxn:4:212963:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)C3)n2)c1,UBESNQMDOZZEIC-UHFFFAOYSA-N
rxn:4:213043:225877,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,XCRANSJEBBMOPA-UHFFFAOYSA-N
rxn:4:213048:224327,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cn3)C2)cc1C,PGAZLXCXUICORO-UHFFFAOYSA-N
rxn:4:213078:226164,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(N4CCCCC4)cc3)c2C(F)F)CC1,RINJZHBUESJTGI-UHFFFAOYSA-N
rxn:4:213078:226716,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccn(C(=O)OC(C)(C)C)n3)c2C(F)F)CC1,OSIZYHYQUVROFB-UHFFFAOYSA-N
rxn:4:213081:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)ccc2F)CC1,AQAZCWSVLTUGHY-UHFFFAOYSA-N
rxn:4:213081:225911,COC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(Cl)cc1OC,DGZCTWCSDLRVPW-UHFFFAOYSA-N
rxn:4:213088:224272,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)c2C#N)CC1,GNYGDNSSFSAQBU-UHFFFAOYSA-N
rxn:4:213092:223596,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,XVQOTQNJEZKUPZ-UHFFFAOYSA-N
rxn:4:213093:224162,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c(C#N)c2)CC1,BODHCNBDFOPCPN-UHFFFAOYSA-N
rxn:4:213096:224974,CN1CCN(Cc2ccccc2-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LXCATESMTKTSIZ-UHFFFAOYSA-N
rxn:4:213096:225517,CN(C)CCCOc1cccc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LNLLDEYAYDMOAR-UHFFFAOYSA-N
rxn:4:213100:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,PERSZECYWVXHFG-UHFFFAOYSA-N
rxn:4:213110:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5)C4)nc3)ccn2)CC1,LXGIXHSBNNRDLI-UHFFFAOYSA-N
rxn:4:213128:225762,COc1nc(-c2cc(Cl)c(F)c(OCC(C)C)c2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,HNYLXIAWLKJLKJ-UHFFFAOYSA-N
rxn:4:213128:225876,COc1nc(-c2cc(Cl)ccc2N2CCOCC2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,UWJNFUWNQQERFH-UHFFFAOYSA-N
rxn:4:213131:223556,CC(C)(C)OC(=O)n1c2ccccc2c2cc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)ccc21,BXURMMGNKOPACZ-UHFFFAOYSA-N
rxn:4:213131:224157,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c2ccccc21,SWZUCDVTPZPBCN-UHFFFAOYSA-N
rxn:4:213131:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cnc1Cl,SQWWKBBINDJTCL-UHFFFAOYSA-N
rxn:4:213138:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DVJLZSVEMFTYQP-UHFFFAOYSA-N
rxn:4:213138:225876,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)ccc3N3CCOCC3)cnc2F)CC1,AKNAWUSPNYELAS-UHFFFAOYSA-N
rxn:4:213141:223880,Cc1ccc2c(c1)cc(-c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])n2C(=O)OC(C)(C)C,FVVCZXOYEBCJIR-UHFFFAOYSA-N
rxn:4:213144:223104,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(NC(=O)C(F)(F)F)cc2)CC1,WATZNJVKURRWJP-UHFFFAOYSA-N
rxn:4:213144:223773,COc1cccc2cc(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,JAZDGGQBVDMZDD-UHFFFAOYSA-N
rxn:4:213147:223658,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)c2)CC1,CGQOQTCUVNNIGN-UHFFFAOYSA-N
rxn:4:213213:223934,CN(c1cccc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1,RHOYEUVXURZVHH-UHFFFAOYSA-N
rxn:4:213217:223189,CCN1CCN(c2ncc(-c3ccc(NS(C)(=O)=O)cc3F)cc2C(=O)OC(C)(C)C)CC1,QZTSOJKTEHIBMO-UHFFFAOYSA-N
rxn:4:213217:225901,CCN1CCN(c2ncc(-c3cn(C(=O)OC(C)(C)C)nc3C)cc2C(=O)OC(C)(C)C)CC1,WHSDFJRMNXAUMB-UHFFFAOYSA-N
rxn:4:213226:225899,Cc1cc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)n(C(=O)OC(C)(C)C)n1,NJCDKPHXBDLVNM-NRFANRHFSA-N
rxn:4:213259:223480,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DFNMEFBNVAVQGF-UHFFFAOYSA-N
rxn:4:213259:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c(Cl)c1,AZFKYGREAOIZPB-UHFFFAOYSA-N
rxn:4:213260:227739,Cc1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cnc1C(F)(F)F,GEJFUIUDXVUWKN-UHFFFAOYSA-N
rxn:4:213349:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2nn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)C3)CC1,OCVWFTWJDMMSDV-UHFFFAOYSA-N
rxn:4:213354:223106,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cn1)C2,FBDSQJSXFAJXHQ-UHFFFAOYSA-N
rxn:4:213354:225992,CC(C)Cn1cc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c(C(F)(F)F)n1,QYEHFOUKJHQPDE-UHFFFAOYSA-N
rxn:4:213474:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cc1C,IMSKTKLQDFELQO-YTTGMZPUSA-N
rxn:4:213476:228565,CSCc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1,ZTAKSKMWILFALB-ONFUPHMISA-N
rxn:4:213476:229167,CN(C)c1nc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cs1,WTRYAZFKUHIBRD-QELHVSSYSA-N
rxn:4:213476:229170,Cc1nc(Cl)ncc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,UPAZBKJGUNZKDP-QELHVSSYSA-N
rxn:4:213497:223539,COCn1nc(C(=O)OC)nc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AJGKEWDXLYKQFX-UHFFFAOYSA-N
rxn:4:213530:223695,CC(C)(C)OC(=O)Cn1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1,SHXFFMHPJVBJBN-UHFFFAOYSA-N
rxn:4:213626:223581,COC(=O)c1cccc2cc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,AECVRPUIAUSTRI-UHFFFAOYSA-N
rxn:4:213628:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccn(C4CN(C(=O)OC(C)(C)C)C4)n3)cn2)C1,RSOPDHKCOXSGES-UHFFFAOYSA-N
rxn:4:213632:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)CC1,BSWXBEQBVOAHDO-UHFFFAOYSA-N
rxn:4:213638:225985,O=C(C1CC(F)(F)C1)N1CC(Cn2cc(-c3cccc(N4CCCS4(=O)=O)c3)cn2)C1,PVGBLNAACQAVEF-UHFFFAOYSA-N
rxn:4:213660:223775,CCOC(=O)N1CCN(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)cn2)CC1,NABVLRZCNGGUSN-UHFFFAOYSA-N
rxn:4:213755:224278,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cs2)CC1,XTUVGVQCJKISMN-UHFFFAOYSA-N
rxn:4:213758:225295,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1,DQZUROTVOZXPDY-UHFFFAOYSA-N
rxn:4:213767:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)ccc2F)CC1,PIKVTJVJHDCKOB-UHFFFAOYSA-N
rxn:4:213769:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)nc3)cc2C1,UBKKHRPSMNBYGG-UHFFFAOYSA-N
rxn:4:213786:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)c2nccn2C)C1,RCNHEWJDRNBFBK-UHFFFAOYSA-N
rxn:4:213798:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)c2)CC1,FOKJTOLDWORJBH-UHFFFAOYSA-N
rxn:4:213798:225092,CCCCOc1cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc(Cl)c1OC,RCXCUEXXUXSMDM-UHFFFAOYSA-N
rxn:4:213798:225896,COCCOc1cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c(F)cc1F,DFZCVIKUUHQDCL-UHFFFAOYSA-N
rxn:4:213833:223660,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)n2)CC1,DGIACRCZBVDASQ-UHFFFAOYSA-N
rxn:4:213833:223775,COc1ccc2c(c1)c(-c1ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n1)cn2C(=O)OC(C)(C)C,PHOIVQGHUIXTCM-UHFFFAOYSA-N
rxn:4:213833:225830,Cc1nc(N2CCCCC2)ncc1-c1ccn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,LLSNKUXKMIPRDX-UHFFFAOYSA-N
rxn:4:213840:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3nccn3C3CCCN(C(=O)OC(C)(C)C)C3)c2)C1,XALBEWTWICZHBH-UHFFFAOYSA-N
rxn:4:213861:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LSUZFZPGSDEXMC-UHFFFAOYSA-N
rxn:4:213865:223506,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,GYVPZJADDWRHND-UHFFFAOYSA-N
rxn:4:213871:222631,CC(C)(C)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc(C2CCNCC2)n1,RAMOGKXDBMYMIO-UHFFFAOYSA-N
rxn:4:213874:223504,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccn2)CC1,RDWQFIQMUYBLQE-UHFFFAOYSA-N
rxn:4:213874:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,AYZQCAYTLRPTQB-UHFFFAOYSA-N
rxn:4:213877:223506,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,YSVLIKOCUXWTJM-UHFFFAOYSA-N
rxn:4:213882:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1cnn(CC2CN(CC3CCS(=O)(=O)CC3)C2)c1,VOLWGJTYBPIQBU-UHFFFAOYSA-N
rxn:4:213884:223106,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cnc(N4CCC(O)C4)nc3Cl)n2)CC1,WPSGDQSUNPEDNB-UHFFFAOYSA-N
rxn:4:213884:223592,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)n2)CC1,KXHAZQZOPBQLHX-UHFFFAOYSA-N
rxn:4:213886:223649,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,NQTPZCLIXGONNH-UHFFFAOYSA-N
rxn:4:213889:223581,COC(=O)c1cccc2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)n(C(=O)OC(C)(C)C)c12,QQJYRPFJYXCHKB-UHFFFAOYSA-N
rxn:4:213891:225232,CC1CCN(c2cc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)cnc2Cl)CC1,MFRLQEZCSXUAQP-UHFFFAOYSA-N
rxn:4:213891:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1,AMDYGLSVVVOQKK-UHFFFAOYSA-N
rxn:4:213897:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,CIDHULMFVCKPTE-UHFFFAOYSA-N
rxn:4:213901:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,RUOKBWSMLINDIV-UHFFFAOYSA-N
rxn:4:213906:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1,UXQAKYKEEXTNRV-UHFFFAOYSA-N
rxn:4:213938:222803,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,AXIHMMVXAKKIQK-UHFFFAOYSA-N
rxn:4:213938:225763,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c(C)cc1OC,CIZQNVHZKOVDOA-UHFFFAOYSA-N
rxn:4:213940:225798,Cn1ncc(-c2ccc(OC3CCOCC3)nc2)c1C1CCCN(C(=O)OC(C)(C)C)C1,LBPUWSHHVXTXDW-UHFFFAOYSA-N
rxn:4:213942:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C,HTNXLPXEYVHFSM-UHFFFAOYSA-N
rxn:4:213943:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn[nH]c3C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])CC1,VCKHMYIKOFFWOR-UHFFFAOYSA-N
rxn:4:213969:227505,O=C(c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,HTUVXLKZEVRWLO-NTEUORMPSA-N
rxn:4:213969:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)o1,KCZRVJIFZNLIHW-UHFFFAOYSA-N
rxn:4:213975:223669,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nc2)CC1,GBUFKSXSYNZEFP-UHFFFAOYSA-N
rxn:4:213979:223529,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)nn1,URWGLHLFUSZPHD-UHFFFAOYSA-N
rxn:4:213979:223533,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)nn1,BQHVMHQMVDSLNV-UHFFFAOYSA-N
rxn:4:213980:223562,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,SKAUVMQDWKPJJT-UHFFFAOYSA-N
rxn:4:213987:222948,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(O)CC2)nc1Cl,ISNZVKSKIVVOIG-UHFFFAOYSA-N
rxn:4:213988:224160,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)CC1,MMLYTWLYFPIDTC-UHFFFAOYSA-N
rxn:4:213996:225876,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(Cl)ccc1N1CCOCC1,LYOJCCFEXQALNS-UHFFFAOYSA-N
rxn:4:213996:226047,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccc(OC(F)(F)F)c(F)c1F,BIXWDBLYEZIXSK-UHFFFAOYSA-N
rxn:4:213996:226268,CCCOc1c(SC)cccc1-c1cnccc1N1CCN(C(=O)OC(C)(C)C)CC1C,ONEBDRDBTNMOCW-UHFFFAOYSA-N
rxn:4:214000:223521,CC(c1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OOQNNUFIRCRBJY-UHFFFAOYSA-N
rxn:4:214005:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1,VRCREATWZYEBMH-UHFFFAOYSA-N
rxn:4:214048:227696,COC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)c(F)n1,KLAYPHYYLIQUGC-UHFFFAOYSA-N
rxn:4:214054:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cc2)CC1,XCTBTBAGLJKPEN-UHFFFAOYSA-N
rxn:4:214115:224817,CCN(CC)S(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c2c1N=S=N2,FMZQTPDOSOZDNT-UHFFFAOYSA-N
rxn:4:214135:225190,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCOCC3)cc2OC)nc2n1CCOC2,NJCHKHAFPRUCAV-UHFFFAOYSA-N
rxn:4:214153:224998,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cccc(C(=O)N4CCCCC4)c3)cnn2C1,VIFFYMWLLWDQDF-LJQANCHMSA-N
rxn:4:214185:225209,Cc1nc(N2CCCCC2C)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,QXBMCBSQACWBKT-UHFFFAOYSA-N
rxn:4:214185:226364,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc(N4CCCCC4)nc3)c2C1,CNUKCFWYXGTSPU-UHFFFAOYSA-N
rxn:4:214201:223668,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)cn1)C2,MVISHQYMELTORB-UHFFFAOYSA-N
rxn:4:214255:223649,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2c(Cl)ncnc21,OBSILAPXGQMXSU-UHFFFAOYSA-N
rxn:4:214275:223940,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)cc23)CC1,OSBLESACUIXBNE-UHFFFAOYSA-N
rxn:4:214277:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc3c(cnn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(Cl)c1,WWICHDGDFVRJDN-UHFFFAOYSA-N
rxn:4:214277:223648,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc32)CC1,MRKVMVPLTSTKAS-UHFFFAOYSA-N
rxn:4:214304:225947,CN1CCN(c2ncc(-c3nn(C4CCOCC4)c4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,DVXBPQZQHAIYDY-UHFFFAOYSA-N
rxn:4:214304:226739,CC(=O)c1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-],ZYFDIVKORXDSJD-UHFFFAOYSA-N
rxn:4:214304:228711,Cc1cnc(C#N)c(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1,YWQJXSMDAKFVLH-UHFFFAOYSA-N
rxn:4:214304:228819,Cc1cc(Cl)cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1F,PNQJTZHWFDYWMX-UHFFFAOYSA-N
rxn:4:214320:223520,CC(c1ccc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DDRXFKFXJPWTRB-UHFFFAOYSA-N
rxn:4:214321:224274,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4cc5cnccc5n4C(=O)OC(C)(C)C)ccc32)CC1,HWSVSEFYDKUKHI-UHFFFAOYSA-N
rxn:4:214334:224280,CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1,WQSPVENWGDKSTK-UHFFFAOYSA-N
rxn:4:214350:223775,COc1ccc2c(c1)c(-c1ccccc1C(=O)N1CCC(Cn3cnc4cc(C)c(C)cc43)CC1)cn2C(=O)OC(C)(C)C,JIBPZEKQFGKZKO-UHFFFAOYSA-N
rxn:4:214434:223482,CCn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C(=O)OC,RWCCIWHAJOXMKH-UHFFFAOYSA-N
rxn:4:214628:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCN(c3nccs3)C(=O)C2)o1,TXOAURFGERQQRO-UHFFFAOYSA-N
rxn:4:214705:224820,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,NHJHGQLLBQMPQZ-UHFFFAOYSA-N
rxn:4:214711:224796,CCS(=O)(=O)N1CCN(c2ccc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)cn2)CC1,HIMLAZRTAHKWHP-UHFFFAOYSA-N
rxn:4:214714:223506,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BGNYESYISSPPFI-UHFFFAOYSA-N
rxn:4:214866:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,SSSNEXKXZPATOL-UHFFFAOYSA-N
rxn:4:214872:223835,Cc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1S(=O)(=O)N1CCC(C)CC1,FOFKRYLTBXMZDX-UHFFFAOYSA-N
rxn:4:214995:223606,CCOC(=O)C1CCc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)nnn2C1,VKQSLXWQVDJMPF-UHFFFAOYSA-N
rxn:4:215019:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccnc4cnn(C(=O)OC(C)(C)C)c34)c2)C1,GRZHWQXSUBJXAR-UHFFFAOYSA-N
rxn:4:215054:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)cc2[N+](=O)[O-])CC1,GBFXPGAPGLRUBE-UHFFFAOYSA-N
rxn:4:215054:225368,CC(C)(C)OC(=O)N1CCc2c(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)ncn2C1=O,XGAOCOBUCGVXAN-UHFFFAOYSA-N
rxn:4:215058:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)C2,JDPRXEBMRQJDTB-UHFFFAOYSA-N
rxn:4:215058:223696,CC(C)(C)OC(=O)N1CCn2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cnc2C1,COXBGSDTTBOVLI-UHFFFAOYSA-N
rxn:4:215058:224653,CC(C)(C)OC(=O)N1CCn2c(-c3ccc(Cl)cc3OCC3CCCCO3)cnc2C1,AMSKJDPQPPVKGD-UHFFFAOYSA-N
rxn:4:215065:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2,NRZHRIGYNOYPKX-UHFFFAOYSA-N
rxn:4:215100:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,QMJMZGFTOWBLBW-UHFFFAOYSA-N
rxn:4:215101:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,SOKYZEIHWPGRGB-UHFFFAOYSA-N
rxn:4:215101:225990,CCCCn1nc(C(F)(F)F)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,GZYPFWQAGNNTES-UHFFFAOYSA-N
rxn:4:215104:224371,COC(=O)C1CCN(c2ncc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,ZBDHGYAIEZBNGP-UHFFFAOYSA-N
rxn:4:215106:225219,Cc1nn2c(c1-c1cnc(N3CCCCC3C)cc1F)CN(C(=O)OC(C)(C)C)CC2,VXDYVWQNBONMGO-UHFFFAOYSA-N
rxn:4:215214:226180,Cc1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc(C2CCCC2)n1,IODSEPBIFUJLHW-UHFFFAOYSA-N
rxn:4:215344:223687,Cn1nc(C(F)(F)F)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1C#N,QSTUVQHOVLTTIL-UHFFFAOYSA-N
rxn:4:215358:223539,COC(=O)c1nc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n(C)n1,ODTMDKUKTUHUJB-UHFFFAOYSA-N
rxn:4:215679:222439,COc1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)nnn1C1CCCC1,FPMMQGSZSWFHKH-UHFFFAOYSA-N
rxn:4:215842:224394,Cc1ccc(-c2c(C)nn(C(=O)N3CCOCC3)c2C)cc1S(=O)(=O)N1CCOCC1,OMZBTZBKUBBHNZ-UHFFFAOYSA-N
rxn:4:215897:224817,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccccc1S(=O)(=O)N1CCOCC1,VFNKVDGMJPNAFJ-UHFFFAOYSA-N
rxn:4:215898:224403,CS(=O)(=O)N1CCC(c2cnc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,KDHOSKHYXTYMSZ-UHFFFAOYSA-N
rxn:4:215900:222630,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)nc2)CC1,RCDOLKFJWIXVIQ-UHFFFAOYSA-N
rxn:4:215900:223505,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2)CC1,SSWSSRVYCSSNRO-UHFFFAOYSA-N
rxn:4:215907:222699,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)CC1,FFDQEAWIMFZDNA-UHFFFAOYSA-N
rxn:4:215912:223695,CS(=O)(=O)N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2Cl)CC1,XEAYOYXLPQARIZ-UHFFFAOYSA-N
rxn:4:215939:223904,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,HLVVXLPQFPFOPY-UHFFFAOYSA-N
rxn:4:215970:224687,CSc1ncc(-c2cc(F)cc(CN3CCC(=O)CC3)c2)c(N2CCC3(CC2)OCCO3)n1,NHBVBXZIEFNNNK-UHFFFAOYSA-N
rxn:4:215987:224397,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)n1,HAFXAEXRJFPRBP-UHFFFAOYSA-N
rxn:4:216146:223811,CN(C)S(=O)(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)nc2n1CCOC2,LTDYSRHGNDAKSY-UHFFFAOYSA-N
rxn:4:216240:223787,CN1CCN(CCCOc2ccc(-c3ccc(N4C(=O)C(=Cc5nc6ccccc6[nH]5)SC4=S)cc3)cc2F)CC1,JYIJCMCKGNFVOF-UHFFFAOYSA-N
rxn:4:216252:225991,CC(=O)N1CCc2c(c(-c3cc(C(F)(F)F)nn3CC(C)C)nn2C2CCOCC2)C1,SVBPYHINJLOHSO-UHFFFAOYSA-N
rxn:4:217199:222522,COc1ccc(-c2cnc(N3CCN(C)CC3)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1,XCYXJZPDWYEOKX-UHFFFAOYSA-N
rxn:4:217209:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1nc(C)cc(N2CCCC(C)C2)n1,FDTAJSZWUCIYNR-UHFFFAOYSA-N
rxn:4:217792:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2)CC1,NUTXLSDIIUOJOC-UHFFFAOYSA-N
rxn:4:218242:223542,CN1CCN(S(=O)(=O)c2cc(-c3nc4n(n3)COCCO4)ccc2OC(F)(F)F)CC1,AHDYLNMKQSOIHW-UHFFFAOYSA-N
rxn:4:218578:226511,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cc(Cl)cnc3OCC3CC3)cn2)CC1,SSXOHJLNNJVHPN-UHFFFAOYSA-N
rxn:4:218600:223530,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LDCTUQBZXPNHCK-UHFFFAOYSA-N
rxn:4:218615:223562,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,WTZDEWRPDVNMAU-UHFFFAOYSA-N
rxn:4:218681:229236,COc1csc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)c1,JHCZLDGKPZCLIN-UHFFFAOYSA-N
rxn:4:218704:223687,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)n[nH]2)CC1,ZRYOOLLEYGORNC-UHFFFAOYSA-N
rxn:4:218711:226655,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cc(Cl)cnc3N3CCCC3)CC2)CC1,CPSHUXKEFIANPX-UHFFFAOYSA-N
rxn:4:218714:228811,CSc1ccc(F)c(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)c1,NVBKRJTYNBQPMZ-UHFFFAOYSA-N
rxn:4:218750:223649,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)no2)c1=O,TXCAIOHFQYWCLA-UHFFFAOYSA-N
rxn:4:218851:222426,CN(c1cnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1)C1CN(C(=O)OC(C)(C)C)C1,BJAJAHIUEFLVKY-UHFFFAOYSA-N
rxn:4:218899:222699,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)cn3)CC2)cc1,ACNWDGFOZZIXPR-UHFFFAOYSA-N
rxn:4:218948:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,WGJCIPUQHZJISH-UHFFFAOYSA-N
rxn:4:218971:223563,COc1cc(COc2c(C)cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)cc2C)cc(OC)c1,UIJIUCNOZHBNGF-UHFFFAOYSA-N
rxn:4:218971:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)cc2)CC1,VPIGIVHZZCIWNA-UHFFFAOYSA-N
rxn:4:218992:225004,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(CN5CCC(=O)CC5)cc4)cn3)C2)CC1,JDDNFZUKQINWLL-UHFFFAOYSA-N
rxn:4:219000:224727,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(CCn4ncccc4=O)CC3)cc2)cc(OC(C)(C)C)n1,VAMMQRPKVSCFMA-UHFFFAOYSA-N
rxn:4:219033:223581,COC(=O)c1cccc2cc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)n(C(=O)OC(C)(C)C)c12,WPTIMAUXXYRPAM-UHFFFAOYSA-N
rxn:4:219033:224371,COC(=O)C1CCN(c2ncc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cn2)CC1,FVEWTLVAEHRQRN-UHFFFAOYSA-N
rxn:4:219047:223493,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,RAYUYKSAVOYIGM-UHFFFAOYSA-N
rxn:4:219047:223889,COc1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,HTFJWEFQPYNNMB-UHFFFAOYSA-N
rxn:4:219071:223997,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCOCC6)c(C)c5)cc4)CC3)n[nH]2)cc1,LVNOPEJLLXIBOY-UHFFFAOYSA-N
rxn:4:219334:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,OHUPJORQQTVDQC-UHFFFAOYSA-N
rxn:4:219334:226835,CC(C)n1nc(C(F)(F)F)cc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,YSCVWWQRSQXPLW-UHFFFAOYSA-N
rxn:4:219354:225992,CC(C)Cn1cc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)c(C(F)(F)F)n1,JNUCCQQUXWWFAM-UHFFFAOYSA-N
rxn:4:219369:226654,CC1CCN(c2nc(-c3nnc([C@H]4CCCN4C(=O)OC(C)(C)C)n3C)cs2)CC1,UBRVTBRQXLCRFA-MRXNPFEDSA-N
rxn:4:219369:226686,Cc1cnn(C2CCCCO2)c1-c1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1C,YNHLZLFJUAKCRR-AAFJCEBUSA-N
rxn:4:219370:223084,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cnc(N4CCC(O)CC4)nc3)n2)C1,VGSOFXMAIBTXHZ-UHFFFAOYSA-N
rxn:4:219370:225605,Cc1cnc(OC2CCCC2)c(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,BOAMPKOONKGSMV-UHFFFAOYSA-N
rxn:4:219371:222839,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(NCC3CCCCC3)nc2)CC1,ZIXMRMCQUAOZDG-UHFFFAOYSA-N
rxn:4:219372:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1nn[nH]c1C1CCN(C(=O)OC(C)(C)C)CC1,YCPNGEINWXAOIV-UHFFFAOYSA-N
rxn:4:219373:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,AUNCTUJIYXHSFI-UHFFFAOYSA-N
rxn:4:219373:225755,COC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C2CC2)n1,ALCFXAKEJIXVMX-UHFFFAOYSA-N
rxn:4:219375:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)c1Cl,WZNGENDUPDROHM-UHFFFAOYSA-N
rxn:4:219375:226021,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(Cl)ccc3OCC(F)(F)F)nn2)C1,CYSKLVGKKSVPKD-UHFFFAOYSA-N
rxn:4:219381:225991,CSc1ncc(-c2cc(C(F)(F)F)nn2CC(C)C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,DDVDWCNBFJWNSZ-UHFFFAOYSA-N
rxn:4:219404:226502,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccn(C(=O)OC(C)(C)C)c3)n2)CC1,VGGWCDOJYHISTI-UHFFFAOYSA-N
rxn:4:219406:222886,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCNCC4)cc3C#N)n2)CC1,BMQJTZFVVARGEE-UHFFFAOYSA-N
rxn:4:219452:223058,Cc1nc(-c2cc(F)nc(C3CCCNC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,WYKFKGMIVMDWTG-UHFFFAOYSA-N
rxn:4:219453:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(CC2CN(C3CCN(C(C)C)C3=O)C2)c1,RIEAMONWFKNEQG-UHFFFAOYSA-N
rxn:4:219454:225215,Cc1c(-c2ccnc(N3CCC(C)CC3)c2Cl)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,GPGSXAQPNGVDGX-UHFFFAOYSA-N
rxn:4:219454:225674,Cc1c(-c2cnc(C3CCCCC3)cc2F)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,VBHIWQIBWYCRIO-UHFFFAOYSA-N
rxn:4:219454:226514,CCc1cnc(C(=O)OC)cc1-c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C,BRUUNQDZLSWBKM-UHFFFAOYSA-N
rxn:4:219454:227613,Cc1c(-c2cnn(C3CCOCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,HQFXRGQVIAXNKN-UHFFFAOYSA-N
rxn:4:219456:222791,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)n1,HTKAFKCBEPYAJD-UHFFFAOYSA-N
rxn:4:219456:226025,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cnc(OC3CCOC3)nc2Cl)n1,SIWPININYMDRQA-UHFFFAOYSA-N
rxn:4:219463:223928,Cc1cc(OCC2CCN(c3ncc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cn3)CC2)ccn1,BCDNDNDEDJRFSR-UHFFFAOYSA-N
rxn:4:219469:226612,CSc1ncc(-c2cnc(N3CCCCC3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,FEQDEIQSLCXEDL-UHFFFAOYSA-N
rxn:4:219469:227661,CSc1ncc(-c2ccc(C(F)(F)F)cc2C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,KEDXFNYGJQWQDG-UHFFFAOYSA-N
rxn:4:219489:227766,CCn1nc(C(F)(F)F)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,QALARZAGRQPGTQ-UHFFFAOYSA-N
rxn:4:219508:224327,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)CC2)cc(C(F)(F)F)n1,IORBTGAIMIHMEI-UHFFFAOYSA-N
rxn:4:219511:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3S(=O)(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)cc2C)CC1,AYPKBNLMOONHCN-UHFFFAOYSA-N
rxn:4:219515:225361,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cn(C4CCCC4)nc3C(F)(F)F)s1)C2,SLTLZSITDMBJTH-UHFFFAOYSA-N
rxn:4:219543:223001,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)CC2)n1,QFLRRXCJHYDKPJ-UHFFFAOYSA-N
rxn:4:219551:226665,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCCOC5)nc4)cn3)CC2)C1=O,QPCSDANWSNWZDC-UHFFFAOYSA-N
rxn:4:219551:228197,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C(C)(C)C)nc4)cn3)CC2)C1=O,UQSKMZBXCZRAPM-UHFFFAOYSA-N
rxn:4:219565:224394,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,MCUGTZUYZNQGLA-UHFFFAOYSA-N
rxn:4:219565:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCCN(c3nc(C)cc(C)c3C#N)CC2)cc1,QTIRYYFOQMMFOT-UHFFFAOYSA-N
rxn:4:219691:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cc2F)CC1,VUKNYHFVCUAUGG-UHFFFAOYSA-N
rxn:4:219692:223761,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c3cnc(Cl)nc32)CC1,QEUNYKYNOLJGSJ-UHFFFAOYSA-N
rxn:4:219704:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1,ZWQLNYHHSYBZOT-UHFFFAOYSA-N
rxn:4:219706:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cn2)CC1,CSRMAPVNHWCLPG-UHFFFAOYSA-N
rxn:4:219706:223928,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)c(Cl)cc23)CC1,BQRQRHHAPJBPCN-UHFFFAOYSA-N
rxn:4:219706:224277,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)c(Cl)cc23)CC1,BYLLTXAXSDTULP-UHFFFAOYSA-N
rxn:4:219710:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(N2N=NC3C(=O)N(c4cc(OC)cc(OC)c4)C(=O)C32)cc1C,UEUDUHHKEKEQDU-UHFFFAOYSA-N
rxn:4:219776:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C(=O)c6ccccc6C)CC5)nc(-c5ccccc5)c4c3)c2)CC1,VBIOKWMREUBOOE-UHFFFAOYSA-N
rxn:4:219832:223973,COCn1nc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)nc1N1CCOCC1,ZYFZSQCOKCEAHV-UHFFFAOYSA-N
rxn:4:219880:224793,CSc1ncc(-c2cc(C(F)(F)F)cnc2OCC(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,JRMZIOAZFZPBEK-UHFFFAOYSA-N
rxn:4:219904:223697,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)CC1,NERQPUVUYXJDHI-UHFFFAOYSA-N
rxn:4:219904:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)ccc2C)CC1,PEPLTTWPVRZAAN-UHFFFAOYSA-N
rxn:4:219904:224404,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)CC1,LTJPRAOIPOLHPD-UHFFFAOYSA-N
rxn:4:219988:222729,CCCc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc(C2CCCNC2)n1,XXLWKSFMQGRPJL-UHFFFAOYSA-N
rxn:4:219988:224819,O=C(C1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)C1)N1CCOCC1,JSZZDGPHILAETA-UHFFFAOYSA-N
rxn:4:220018:223844,COCC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nc2C1,NVXALITXXSPSQX-UHFFFAOYSA-N
rxn:4:220021:223507,CCCC(=O)N1CCn2nc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2C1,SAYRDQXEJLTRSY-UHFFFAOYSA-N
rxn:4:220021:224408,CCCC(=O)N1CCn2nc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)nc2C1,ZTRIFXYFEDYOOJ-UHFFFAOYSA-N
rxn:4:220034:222614,CC(C)CC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)nc2C1,WASQYGHQNHGDNO-UHFFFAOYSA-N
rxn:4:220034:223539,COc1ccc(-c2nc3n(n2)CCN(C(=O)CC(C)C)C3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FIBMYGRLYJWUAW-UHFFFAOYSA-N
rxn:4:220038:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,JOVDZZFFXAYJEX-UHFFFAOYSA-N
rxn:4:220039:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,XMAQBXVSDPBOQN-UHFFFAOYSA-N
rxn:4:220039:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,DWKUCRABBKZASQ-UHFFFAOYSA-N
rxn:4:220040:223606,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)nc2C1,UKIGKTHQSUBNTA-UHFFFAOYSA-N
rxn:4:220041:223636,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c2C1,ZIKBHSNFADUIJZ-UHFFFAOYSA-N
rxn:4:220041:224688,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)c2C1,LPGAHNDUWVQAAZ-UHFFFAOYSA-N
rxn:4:220069:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,HLYYPVDLDFSPQH-UHFFFAOYSA-N
rxn:4:220069:224653,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(Cl)cc3OCC3CCCCO3)n2CC1,SOXUIGAFJIHTNC-UHFFFAOYSA-N
rxn:4:220069:224770,Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc(S(=O)(=O)N2CCCC2)c1,JKOVWSHOWWJJTO-UHFFFAOYSA-N
rxn:4:220069:225297,CC(C)(C)OC(=O)N1CCc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC1,QYVIVNUQOYOXPW-UHFFFAOYSA-N
rxn:4:220070:224848,CC[C@H]1CC[C@H](c2ccc(-c3nc4n(n3)CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1,IWYZFPQNVYKWJX-WGSAOQKQSA-N
rxn:4:220356:223920,CN(C(=O)c1ccc(-c2nc([N+](=O)[O-])nn2C2CCCCC2)c(Cl)c1)C1CCCCC1,VZSQOGGESDDWJH-UHFFFAOYSA-N
rxn:4:220356:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1nc([N+](=O)[O-])nn1C1CCCCC1,NSUBDTTVLDBGOJ-UHFFFAOYSA-N
rxn:4:220422:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCN(c4ccc(Cl)cc4)CC3)nc2)C1,HNIKHRFRNOXJLV-UHFFFAOYSA-N
rxn:4:220426:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCOCC2)nc1N1CCOCC1,MZCCVFJSDJPXNB-UHFFFAOYSA-N
rxn:4:221094:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cnc2C1,WBISKQZMWCHQQC-UHFFFAOYSA-N
rxn:4:221094:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cc2C1,ZSJXOMCXGPHXJU-UHFFFAOYSA-N
rxn:4:221112:222891,CCOc1ccc(-c2cc(OC)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,MALBATMUVJANMO-UHFFFAOYSA-N
rxn:4:221115:223252,CCOc1ccc(-c2cc(F)c3c(c2)NCCO3)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,YLWBYVPEWADHQY-UHFFFAOYSA-N
rxn:4:221182:226025,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(OC5CCOC5)nc4Cl)cn3)CC2)C1=O,MRZAHARMGDOJTL-UHFFFAOYSA-N
rxn:4:221182:228458,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(SC)nc4SC)cn3)CC2)C1=O,QRVDLVVELYIAJV-UHFFFAOYSA-N
rxn:4:221182:229057,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnn(C5CC5)c4)cn3)CC2)C1=O,WGMLGQYIVDGPIC-UHFFFAOYSA-N
rxn:4:221182:229092,COCCN1C(=O)CN(C2CCN(c3ncc(-c4c(C)nn(C)c4C)cn3)CC2)C1=O,UJAFQYTYEWRPGS-UHFFFAOYSA-N
rxn:4:221203:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,KKLYFXWAJGFHIY-UHFFFAOYSA-N
rxn:4:221204:222956,Cc1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c(C2CCCNC2)c1,JHFWCNHYJIWEBI-UHFFFAOYSA-N
rxn:4:221204:225312,CN1CCCN(c2ncc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cn2)CC1,VGQAGIJSSGSLCG-UHFFFAOYSA-N
rxn:4:221205:223135,c1cnc(C2CCCNC2)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,KZJHOALNIYAHKA-UHFFFAOYSA-N
rxn:4:221208:225977,Cc1cc(N2CCN(CCc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)CC2)nc(N2CCOCC2)n1,PKGNZMYPVQTGFK-UHFFFAOYSA-N
rxn:4:221249:223761,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCCN6C(=O)OC(C)(C)C)cc5)cnn4c3)cc2)CC1,VDCQPSCAMIKFBD-UHFFFAOYSA-N
rxn:4:221249:223884,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc6c(c5)CCN(C(=O)OC(C)(C)C)C6)cnn4c3)cc2)CC1,JXQIPAHSDWECOY-UHFFFAOYSA-N
rxn:4:221275:223498,CC1CN(c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,JMDWCAYQBLMMKJ-UHFFFAOYSA-N
rxn:4:221371:223505,COc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,XFGXAZPQIBOQSR-UHFFFAOYSA-N
rxn:4:221371:224770,COc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)CC2)n1,HFINGSFJUXRWFQ-UHFFFAOYSA-N
rxn:4:221421:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,JUYUJRVRDAHXTL-UHFFFAOYSA-N
rxn:4:221425:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,MFKMESXCFHNVHF-UHFFFAOYSA-N
rxn:4:221425:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,PJBNPRQVQNNMSJ-UHFFFAOYSA-N
rxn:4:221426:222612,O=S(=O)(c1ccc(F)c(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1)N1CCC(O)CC1,DSEKEFZZOZUKDO-UHFFFAOYSA-N
rxn:4:221428:222717,Cc1cc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,PEKBESANLIFHED-UHFFFAOYSA-N
rxn:4:221428:224597,c1cc(-c2cc(C3CC3)cc(N3CCOCC3)c2)ccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1,LLJPSLMYIHCDAT-UHFFFAOYSA-N
rxn:4:221433:222957,Cc1cc(-c2ccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc(C2CCCNC2)c1,FLDDILAJKBOOMW-UHFFFAOYSA-N
rxn:4:221596:223534,COCn1nc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)nc1N1CCN(C)CC1,QUHHULMHONLOMZ-UHFFFAOYSA-N
rxn:4:221614:224721,COCn1nc(-c2c(C)nn(CC(=O)OC(C)(C)C)c2C)nc1N1CCCN(C)CC1,RYJGKBRPFQAKPF-UHFFFAOYSA-N
rxn:4:221639:224009,COc1ccc(-c2cnc(N3CCC(Cn4nc(C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,XKOMVSAPSJABGX-UHFFFAOYSA-N
rxn:4:221641:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)nc1,JKYXOMADXDQVKG-UHFFFAOYSA-N
rxn:4:221645:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)nc1,PBZFCIGQSUGHNG-UHFFFAOYSA-N
rxn:4:221745:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCCCCC4)c4sccc45)cc3)c(F)cn2)CC1,OCPXPICUAWSTNP-UHFFFAOYSA-N
rxn:4:221971:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(OCC2CCN(Cc3nnc4n3CCC4)CC2)nc1,FXYDKQYTPDKDRM-UHFFFAOYSA-N
rxn:4:221978:223521,CC(c1cccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,SLYNGZYKKLSIJF-UHFFFAOYSA-N
rxn:4:221978:223588,Cc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,RSWPTGCMQUWNGV-UHFFFAOYSA-N
rxn:4:222009:222621,CC(C)Cc1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)cc(C2CCCNC2)n1,WKBOJJOSCJVYLV-UHFFFAOYSA-N
rxn:4:222009:224015,Cc1cc(F)c(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,JGVKAFXTMIKXJO-UHFFFAOYSA-N
rxn:4:222031:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C(F)(F)F)cnc1N1CCN(c2ccnc(N(C)C)n2)CC1,FJQFCMHTSWCQRV-UHFFFAOYSA-N
rxn:4:222031:224760,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1,PMYKQSWWNPYPIQ-UHFFFAOYSA-N
rxn:4:222039:227659,Cc1c(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)cccc1C(F)(F)F,RCLLRXBGPJBVDU-UHFFFAOYSA-N
rxn:4:222053:225320,CCc1cc(N2CCN(c3ncc(-c4ccc(N5CCOCC5)c(F)c4F)cn3)CC2)nc(C(C)(C)C)n1,XAEJUZMRYXXFQI-UHFFFAOYSA-N
rxn:4:222056:225313,CN1CCN(c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)c(F)n2)CC1,UTXXOYXRGHNOKJ-UHFFFAOYSA-N
rxn:4:222062:226915,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCC5)cc4)cc3)CC2)n1,JZQMSQKSTWKTKZ-UHFFFAOYSA-N
rxn:4:222124:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)c2)CC1,ZTBULXOFWRIGER-UHFFFAOYSA-N
rxn:4:222155:223492,Cc1cc(-c2cnc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MARLRBCCZBGHLC-UHFFFAOYSA-N
rxn:4:222162:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)c2)CC1,ONWWDSIYTNXOMO-UHFFFAOYSA-N
rxn:4:222163:224834,Cc1nc(C2CC2)cc(N2CCN(c3ncc(-c4cn(S(=O)(=O)N(C)C)nc4C(F)(F)F)cn3)CC2)n1,JWBXVISIDQFYCR-UHFFFAOYSA-N
rxn:4:222168:225227,CC1CCN(c2ncc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2Cl)CC1,GRBWVVMQMNHVQX-UHFFFAOYSA-N
rxn:4:222169:224365,CCCCOc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C)n4)CC3)nc2)cc(C(F)(F)F)c1F,PHQKIVHUDUYSEZ-UHFFFAOYSA-N
rxn:4:222289:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c2)CC1,DTUCGQACELAHHJ-UHFFFAOYSA-N
rxn:4:222289:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)cn2)CC1,IFMIBEJPEZFFKM-UHFFFAOYSA-N
rxn:4:222364:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)c2)CC1,QMFFBUUPNIPMEW-UHFFFAOYSA-N
rxn:4:222511:189167,O=C(NC1CCCCC1)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc([N+](=O)[O-])c1,UDXYMXOFNVRZCO-UHFFFAOYSA-N
rxn:4:222511:197462,O=C(NC1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])c3c2C(=O)CCO3)cc([N+](=O)[O-])c1,KNYIQAQBRVTPCE-UHFFFAOYSA-N
rxn:4:222513:178474,CCOC(=O)c1oc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c2c1CCCC2,VKUDNWQXKLBZTA-UHFFFAOYSA-N
rxn:4:222611:207406,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c2c(nn1CC(F)(F)F)CCCC2,WGNSXAKVYWLIHX-UHFFFAOYSA-N
rxn:4:222741:174482,CC(C)(C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,RUZHPVQJOQTGDB-UHFFFAOYSA-N
rxn:4:222741:176295,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C3CC3)nc(C3CCCNC3)c1)C2=O,VCQYLVKBLALUBV-UHFFFAOYSA-N
rxn:4:223540:215611,CCC(C)n1nc(C)c(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)n1,QZFRXGVYUWYYAL-UHFFFAOYSA-N
rxn:4:223590:209521,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nccc(C2CC(=O)CCO2)n1,JLPYBCCTOABILH-UHFFFAOYSA-N
rxn:4:223590:215721,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1c(C)n[nH]c1C(=O)N1CCCC1,STYYVENUBXYFNO-UHFFFAOYSA-N
rxn:4:223650:216089,COC(=O)C1CCn2c(nnc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1,WJCPRGWTDNBOLU-UHFFFAOYSA-N
rxn:5:176856:225794:226652,COC(=O)c1cc(-c2cc(C)nn2C2CCCCO2)cc(-c2cnc(OC3CCCCC3)nc2)c1OC,HROOYPHKEGXRPQ-UHFFFAOYSA-N
rxn:5:176856:226837:226835,COC(=O)c1cc(-c2cc(C(F)(F)F)nn2C(C)C)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,HMPKJVVOMHNXBT-UHFFFAOYSA-N
rxn:5:176995:226686:225832,CCOc1cc(-c2c(C)cnn2C2CCCCO2)cc(-c2c(C)nn(C3CCCCO3)c2C)c1OC,NGIIWEYYNNIAED-UHFFFAOYSA-N
rxn:5:177850:226756:227766,CCOc1ccc(-c2ccc(C(F)(F)F)c(OC)c2)c(C2OCCO2)c1-c1cc(C(F)(F)F)nn1CC,GYJCGWYAUYXVOL-UHFFFAOYSA-N
rxn:5:177891:225438:226900,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)cc1)N1CCCC1,PUZJMFPTTDKULN-UHFFFAOYSA-N
rxn:5:177891:226883:227680,O=C(SC1CS(=O)(=O)CC1c1cccc2c1OC(F)(F)O2)c1ccccc1-c1c(F)ccc(C(F)(F)F)c1F,CLDPQNMVKRUVNO-UHFFFAOYSA-N
rxn:5:177891:226900:228344,O=C(SC1CS(=O)(=O)CC1c1ccc(SC(F)F)cc1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,ZCLZLLHGNGXKGH-UHFFFAOYSA-N
rxn:5:177891:226901:223143,O=C(SC1CS(=O)(=O)CC1c1cccc(N2CCC(O)C2)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,YNXAJDBGENLBTG-UHFFFAOYSA-N
rxn:5:177891:226901:228494,O=C(SC1CS(=O)(=O)CC1c1c(F)c(F)cc(F)c1F)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,GNFNITMXKSJIFL-UHFFFAOYSA-N
rxn:5:177891:227896:226901,N#CC=Cc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1,BEHZDKDJOJJERH-UHFFFAOYSA-N
rxn:5:177891:228341:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1ccc(OC(F)F)cc1,IWUNINNXSSPLQF-UHFFFAOYSA-N
rxn:5:177891:228531:226054,O=C(SC1CS(=O)(=O)CC1c1cnc(C(F)(F)C(F)(F)F)nc1)c1ccccc1-c1cccc2c1CCO2,VTFBXINPASXDIS-UHFFFAOYSA-N
rxn:5:178118:227056:225394,COc1cccc(C2CC2)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1OCC1CCCCO1,LHDYCNUIAFUAKA-UHFFFAOYSA-N
rxn:5:178119:226761:226188,CSc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2cc(C)c([Si](C)(C)C)cc2C)c(C(F)(F)F)c1,VVCJDIFEBDBADJ-UHFFFAOYSA-N
rxn:5:178122:225394:227056,COc1cccc(C2CC2)c1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,JOEUYIZSQRJTLU-UHFFFAOYSA-N
rxn:5:178122:225394:227058,COc1ccc(C2CC2)cc1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,TVIUCCUQCCYDPN-UHFFFAOYSA-N
rxn:5:178122:225394:227072,COc1cc(C2CC2)ccc1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,CAQRPSDWSRICFT-UHFFFAOYSA-N
rxn:5:178122:225407:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1COC1CCCCO1,AZDQYMRBOGDVLE-UHFFFAOYSA-N
rxn:5:178122:225407:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1COC1CCCCO1,BMKZZDNQZYISBE-UHFFFAOYSA-N
rxn:5:178122:225407:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1COC1CCCCO1,VWXFETKESGKFNG-UHFFFAOYSA-N
rxn:5:178224:225407:226907,c1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4CCCCCC4)cc3)c2)c2c(c1)C1(CC2)CC1,IBJOMYMOHXZEHE-UHFFFAOYSA-N
rxn:5:178225:225394:226464,COc1ccc2c(c1-c1c(OCC3CCCCC3)cccc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,UXHHRGGHTMHJCG-UHFFFAOYSA-N
rxn:5:178368:225407:226914,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(CC(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2CCCCCC2)cc1,ZUQXSMCTWWWLHD-UHFFFAOYSA-N
rxn:5:178368:225601:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2(C#N)CCC2)cc1F,WSPYTDYRBNQUMJ-UHFFFAOYSA-N
rxn:5:178368:225811:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2(C(F)(F)F)CC2)cc1,JJQPCNOHAITDIA-UHFFFAOYSA-N
rxn:5:178368:225814:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cccc(C2(C(F)(F)F)CC2)c1,XKPXEGVWSLVXFB-UHFFFAOYSA-N
rxn:5:178368:225817:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C(F)(F)F)c(C2CC2)c1,WJUPCVYXSDYUOU-UHFFFAOYSA-N
rxn:5:178368:225821:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2CC2)c(C(F)(F)F)c1,RTEHEHNZESPUFK-UHFFFAOYSA-N
rxn:5:178368:225927:226974,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc4c(c3)COC4(C)C)c(C)c2)c(C)cc1-c1cc(C(F)(F)F)ccc1N(C)C,XRNLSDJHYCDXHT-UHFFFAOYSA-N
rxn:5:178368:226067:226143,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c(OC(C)C)c(C)c3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)cc1,LWTYEJRJUNCAPY-UHFFFAOYSA-N
rxn:5:178368:226132:226188,Cc1cc(C2(C#N)CC2)ccc1-c1cc(C)c(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)cc1C,XOZNASKHBSVZOO-UHFFFAOYSA-N
rxn:5:178368:226143:226067,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4=CCCCC4)cc3)c(C)c2)c(C)cc1-c1cc(C)c(OC(C)C)c(C)c1,MIXIOWKMLJYXGE-UHFFFAOYSA-N
rxn:5:178368:226153:226188,COc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c(C)c3)cc2C)cc1C1CC1,RBIPQPMDRUEPPE-UHFFFAOYSA-N
rxn:5:178368:226328:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C(C)(C)C#N)c(F)c1,ADLKHMRQTRUYOI-UHFFFAOYSA-N
rxn:5:178368:227071:225498,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(C5CCCCC5)ccc4F)c(C)c3)cc2C)c(C)c1,NSSMRSPOBIBSDH-UHFFFAOYSA-N
rxn:5:178368:227071:225499,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5CCCCC5)cc4F)c(C)c3)cc2C)c(C)c1,HTSVZIXIYGWULL-UHFFFAOYSA-N
rxn:5:178467:227875:226033,CCOC(=O)C1=Cc2cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)cc(-c3cccc4c3CCCO4)c2OC1,WLYYZLSOEWGWMX-UHFFFAOYSA-N
rxn:5:178467:228079:225871,CCOC(=O)C1=Cc2cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc(-c3cccc4c3COC4=O)c2OC1,NBDMCOCBKOGRFH-UHFFFAOYSA-N
rxn:5:180022:225407:226060,COc1c(-c2cc(C3CC3)cc(C3CC3)c2)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,LUPFRSQRZCNHQB-UHFFFAOYSA-N
rxn:5:180297:226686:226029,CCOc1c(F)c(F)c(-c2cc(C3(C)OCCO3)c(-c3c(C)cnn3C3CCCCO3)cc2OC)c(F)c1F,RTHGWBHTXVJTIE-UHFFFAOYSA-N
rxn:5:180297:226835:226029,CCOc1c(F)c(F)c(-c2cc(C3(C)OCCO3)c(-c3cc(C(F)(F)F)nn3C(C)C)cc2OC)c(F)c1F,WRAXCJJGCMSMSL-UHFFFAOYSA-N
rxn:5:180297:226835:227556,COc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(C2(C)OCCO2)cc1-c1cc(OC)c(F)c(OC)c1,NHJONLWFCDHGOS-UHFFFAOYSA-N
rxn:5:180602:227766:226837,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)cc2c1OC(C(=O)OC)C2,BZAGJUKIPPJIEU-UHFFFAOYSA-N
rxn:5:183065:225832:225982,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(cc1-c1cnc(N3CCOCC3)cc1F)CCCC2=O,DCUCKZHZGGSEKF-UHFFFAOYSA-N
rxn:5:188596:226837:226837,CCOc1c(-c2c(C)nn(CC(F)(F)F)c2C)cc(-c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-],ZMTSVBIJALHNDM-UHFFFAOYSA-N
rxn:5:188932:226836:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)OC)cc(-c2cn(C(C)C)nc2C(F)(F)F)c1S(N)(=O)=O,CNICXSNYMZMBQV-UHFFFAOYSA-N
rxn:5:189207:223424:225943,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=NO)cc2)ccc1-c1ccc(C(=O)N2CCOCC2)s1,MTNJQWSSYNACQS-UHFFFAOYSA-N
rxn:5:189207:225435:229091,CC(=O)c1occc1-c1ccc(-c2ccccc2CN2CCCCC2)cc1C(=O)ON1C(=O)CCC1=O,VGEQNKHXIIAWEV-UHFFFAOYSA-N
rxn:5:189207:225453:228894,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1ccccc1[N+](=O)[O-],NTRKTRWSKPGICY-UHFFFAOYSA-N
rxn:5:189207:225804:229091,CC(=O)c1occc1-c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)cc1C(=O)ON1C(=O)CCC1=O,AKCSLQZOFGMEDY-UHFFFAOYSA-N
rxn:5:189207:225871:226411,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(N2CCOCC2)cc1,WRVNHPHECKZACF-UHFFFAOYSA-N
rxn:5:189207:225873:228002,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1sccc1C1CCCC1,XDCLCISTOIXCTG-UHFFFAOYSA-N
rxn:5:189207:225873:229009,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1cc(C2CC2)cs1,YTGDTTYUVUMKNS-UHFFFAOYSA-N
rxn:5:189207:225881:229091,CC(=O)c1occc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C(=O)ON1C(=O)CCC1=O,FIOPBBAKTQTSQX-UHFFFAOYSA-N
rxn:5:189207:226049:228071,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)ccc1-c1cccc2c1OCCO2,SXLMATWKQNXXDX-UHFFFAOYSA-N
rxn:5:189207:226064:228484,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc([N+](=O)[O-])c(F)c1,SJPYTRYDAAZKLP-UHFFFAOYSA-N
rxn:5:189207:226084:228241,CC(=O)c1cc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C(=O)ON2C(=O)CCC2=O)ccc1F,JUXLDFVXMFYQQM-UHFFFAOYSA-N
rxn:5:189207:226185:228077,O=C1OCc2ccc(-c3ccc(-c4ccc(C5CCOCC5)cc4)cc3C(=O)ON3C(=O)CCC3=O)cc21,DXIATJORUKZQDO-UHFFFAOYSA-N
rxn:5:189207:226319:227936,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1cccc(SC2CC2)c1,LERGGRRCEBNEJR-UHFFFAOYSA-N
rxn:5:189207:226332:228866,COCc1noc(C)c1-c1ccc(-c2ccccc2C(=O)N2CCC2)cc1C(=O)ON1C(=O)CCC1=O,CTSVYVRHMBJJOT-UHFFFAOYSA-N
rxn:5:189207:226333:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCC3)c2)ccc1-c1cccc(C2CCOCC2)c1,UWNNQOPYQNJKEE-UHFFFAOYSA-N
rxn:5:189207:226980:225445,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1ccccc1OC1CCCCC1,MLENBXFFSZMPFF-UHFFFAOYSA-N
rxn:5:189207:227203:227560,COc1ccc(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc1C(F)F,PGDKOTUAAAKFIS-UHFFFAOYSA-N
rxn:5:189207:227205:226739,CC(=O)c1ccc(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],XJISMHBZLUGLSJ-UHFFFAOYSA-N
rxn:5:189207:227205:228343,COC(=O)c1sc(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc1C,QXENZTGJXJHQKO-UHFFFAOYSA-N
rxn:5:189207:227679:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)ON1C(=O)CCC1=O,OYNYXKHTHVITOL-UHFFFAOYSA-N
rxn:5:189207:227863:227804,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)CCCO3)ccc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],QDSVFRXOIINZRD-UHFFFAOYSA-N
rxn:5:189207:228292:226886,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc3c2OCCO3)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1,CASPPBOAPOPRST-UHFFFAOYSA-N
rxn:5:189207:228514:225583,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CC3)c2)ccc1-c1cccc(C(=O)N2CCCC2)c1,MOXQWHWNAUUCMX-UHFFFAOYSA-N
rxn:5:189207:229091:225881,CC(=O)c1occc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)c(C(=O)ON2C(=O)CCC2=O)c1,PKMSGJHCULRXDQ-UHFFFAOYSA-N
rxn:5:189208:225450:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1-c1cccc2c1C(=O)CCC2,CPQGKIXYWVMECH-UHFFFAOYSA-N
rxn:5:189208:225584:228893,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1cccc([N+](=O)[O-])c1,MIBGVZNMOGZEAM-UHFFFAOYSA-N
rxn:5:189208:226084:227183,CN1Cc2cc(-c3cc(-c4ccc5c(c4)C(=O)CCCC5)ccc3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,OJHOZVIXMIZKDO-UHFFFAOYSA-N
rxn:5:189208:226187:228320,COC(=O)c1cc(-c2cc(-c3cccc(C4CCOCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)ccn1,RBWGEAMOBJEFMI-UHFFFAOYSA-N
rxn:5:189208:226366:228866,COCc1noc(C)c1-c1cc(-c2ccnc(N3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RAMGUPHLTWFOQJ-UHFFFAOYSA-N
rxn:5:189208:226411:228245,CC(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,YAXOIVCUTHLDGG-UHFFFAOYSA-N
rxn:5:189208:227119:228460,COc1ncnc(OC)c1-c1cc(-c2cc(C3CCCCC3)cs2)ccc1C(=O)ON1C(=O)CCC1=O,SOXJMUUNZQQANR-UHFFFAOYSA-N
rxn:5:189208:227446:227702,COC(=O)c1cnc(F)c(-c2cc(-c3ccc(C4OCCO4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)c1,VKRSOLNXZGYNMQ-UHFFFAOYSA-N
rxn:5:189208:227679:227330,COC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C(=O)ON2C(=O)CCC2=O)c(C)c1,MNFAFPHPXLSDGN-UHFFFAOYSA-N
rxn:5:189208:227829:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCC2)cc1-c1cccc(N2CCOCC2)c1,JFIAGWGMKNDBGX-UHFFFAOYSA-N
rxn:5:189208:228078:227103,O=C1OCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4sccc4C4CCCCC4)c3)ccc21,SMACLORVZLGQTN-UHFFFAOYSA-N
rxn:5:189208:228150:225871,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cc1,VYWMMJKZKFAOOJ-UHFFFAOYSA-N
rxn:5:189208:228498:227492,COc1ncnc(C2CC2)c1-c1cc(-c2cn(C)nc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,YBYMKGJYTDDRJS-UHFFFAOYSA-N
rxn:5:189208:228631:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccsc2C2CCC2)cc1-c1cccc(N2CCOCC2)c1,GXRYXCCNGORLSH-UHFFFAOYSA-N
rxn:5:189208:229091:225499,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(C3CCCCC3)cc2F)c1,YSPSWXJLSXRYQT-UHFFFAOYSA-N
rxn:5:189209:223346:226413,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3)c2)cc(-c2ccc3c(c2)CNC3=O)c1,DVILGBMPSSMLEW-UHFFFAOYSA-N
rxn:5:189209:225583:228893,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2cccc([N+](=O)[O-])c2)c1,BXEWWGYKCVPQSY-UHFFFAOYSA-N
rxn:5:189209:225583:229009,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2cc(C3CC3)cs2)c1,UTKDSHYARGWTAE-UHFFFAOYSA-N
rxn:5:189209:226084:226150,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCC3)c2)cc(-c2ccc3c(c2)C(=O)CCCC3)c1,JQLWDJJGQWODIF-UHFFFAOYSA-N
rxn:5:189209:226187:228872,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C3CCOCC3)c2)c1,URJROVODJIBJTE-UHFFFAOYSA-N
rxn:5:189209:226413:227870,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3)c2)cc(-c2ccc3c(c2)C(=O)CC3)c1,UJGGURMUKWMMLY-UHFFFAOYSA-N
rxn:5:189209:228002:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc(-c2sccc2C2CCCC2)c1,CJXIHNOSHKYXLL-ZRDIBKRKSA-N
rxn:5:189209:228077:225884,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3COCCO3)c(F)c2)cc(-c2ccc3c(c2)C(=O)OC3)c1,HNGXDMAUNPYXKU-UHFFFAOYSA-N
rxn:5:189209:228501:227203,Cn1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)OCCCO4)c2)c1C(F)(F)F,WJVLVGPYOCQNSC-UHFFFAOYSA-N
rxn:5:189210:223216:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2ccc3c(c2)CCC(=O)N3)c1C(=O)ON1C(=O)CCC1=O,BDTKMLMICWIMQV-UHFFFAOYSA-N
rxn:5:189210:225618:229091,CC(=O)c1occc1-c1cccc(-c2cccc(OC3CCCCO3)c2)c1C(=O)ON1C(=O)CCC1=O,YXYRENUCHIAIBT-UHFFFAOYSA-N
rxn:5:189210:226084:228174,CC(=O)Oc1ccc(-c2cccc(-c3ccc4c(c3)C(=O)CCCC4)c2C(=O)ON2C(=O)CCC2=O)cc1,MNAWQEYQNPMCPM-UHFFFAOYSA-N
rxn:5:189210:226182:228460,COc1ncnc(OC)c1-c1cccc(-c2cccnc2C2CCCCC2)c1C(=O)ON1C(=O)CCC1=O,VNQVYLAWKQTXRE-UHFFFAOYSA-N
rxn:5:189210:226185:228149,COC(=O)c1ccccc1-c1cccc(-c2ccc(C3CCOCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,BZVVNNUEMQYBLR-UHFFFAOYSA-N
rxn:5:189210:226186:228149,COC(=O)c1ccccc1-c1cccc(-c2ccccc2C2CCOCC2)c1C(=O)ON1C(=O)CCC1=O,VELAUCRBDDIIDH-UHFFFAOYSA-N
rxn:5:189210:226319:228340,COc1nc(C2CC2)sc1-c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,UWMXLAZOHOTRSW-UHFFFAOYSA-N
rxn:5:189210:227205:227357,CCC(=O)c1cc(-c2cccc(-c3cccc4c3OCCCO4)c2C(=O)ON2C(=O)CCC2=O)ccc1F,KTCAHOWGBRINQJ-UHFFFAOYSA-N
rxn:5:189210:227656:227927,CCC(=O)c1cccc(-c2cccc(-c3cc(N4CCOCC4)cs3)c2C(=O)ON2C(=O)CCC2=O)c1,WYDNXOIPJPOPST-UHFFFAOYSA-N
rxn:5:189210:228150:226413,COC(=O)c1ccc(-c2cccc(-c3cccc(N4CCOCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1,ONIZGFFWVVGEMT-UHFFFAOYSA-N
rxn:5:189211:225445:229091,CC(=O)c1occc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1OC1CCCCC1,XDXIXYJRBUGPQK-UHFFFAOYSA-N
rxn:5:189211:225873:227044,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3=O)c2)c1-c1ccc(C(=O)C2CC2)cc1,JCYHKGHUGGJFEP-UHFFFAOYSA-N
rxn:5:189211:226064:228077,O=C1OCc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C4CCCCC4)cc3)cc21,YJUKTZRZWVZQSB-UHFFFAOYSA-N
rxn:5:189211:226064:228343,COC(=O)c1sc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCCC3)cc2)cc1C,IKQOXRMUBNFAIB-UHFFFAOYSA-N
rxn:5:189211:226187:225702,COC(=O)n1c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(C3CCOCC3)c2)cc2ccccc21,JNGWWMPSXJNOSE-UHFFFAOYSA-N
rxn:5:189211:226415:228149,COC(=O)c1ccccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1N1CCOCC1,QXHTVJVXJKSWPC-UHFFFAOYSA-N
rxn:5:189211:227449:228150,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCOCC3)s2)cc1,UCCVXPVMHOCVQZ-UHFFFAOYSA-N
rxn:5:189211:227656:227528,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(N3CCOCC3)cs2)cc1F,NYFGWGVEFKXRNX-UHFFFAOYSA-N
rxn:5:189211:227667:227203,CC(=O)c1ccc(F)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)OCCCO3)c1F,ZDYYAGQRACTYER-UHFFFAOYSA-N
rxn:5:189211:227804:228078,O=C1OCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])ccc21,XQTVXSDAJHLRGP-UHFFFAOYSA-N
rxn:5:189211:228894:225943,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1-c1ccc(C(=O)N2CCOCC2)s1,OPRWVZVXFJKXHJ-UHFFFAOYSA-N
rxn:5:189211:229013:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2sccc2C2CC2)c1-c1cccc(N2C(=O)C=CC2=O)c1,LTDLNPMEAJAFKJ-UHFFFAOYSA-N
rxn:5:189212:225584:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2ccc(C(=O)N3CCCC3)cc2)c1,SAHJKOGFIGEAME-UHFFFAOYSA-N
rxn:5:189212:225702:226413,COC(=O)n1c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3CCOCC3)c2)cc2ccccc21,GTAKSNIRIASJOX-UHFFFAOYSA-N
rxn:5:189212:225871:228511,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CC3)cc2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,HATJPEIOOXFULI-UHFFFAOYSA-N
rxn:5:189212:226150:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2cccc(SC3CCCC3)c2)c1,DIDQPAFNAUUWGD-UHFFFAOYSA-N
rxn:5:189212:226186:228487,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(F)c2[N+](=O)[O-])c(-c2ccccc2C2CCOCC2)c1,SQKXBMUSACOIBZ-UHFFFAOYSA-N
rxn:5:189212:226415:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2ccccc2N2CCOCC2)c1,SJWLPZBVJKHILQ-UHFFFAOYSA-N
rxn:5:189212:226966:227095,O=C1CC(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc4c(c3)C(=O)CCC4)cc2)C1,DJUPCCZUQDKRGS-UHFFFAOYSA-N
rxn:5:189212:226980:226146,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cccc3c2C(=O)CCC3)c1,XIZPDZHNKGHGCY-UHFFFAOYSA-N
rxn:5:189212:227205:226778,COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)c(F)c(F)c1OC,ZOUYFPAFMVXOSZ-UHFFFAOYSA-N
rxn:5:189212:227205:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2cccc3c2OCCCO3)c1,TVKXCGWTKANJAP-UHFFFAOYSA-N
rxn:5:189212:227449:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2ccc(C3CCOCC3)s2)c1,UPYNHVSPWZMXRS-UHFFFAOYSA-N
rxn:5:189212:227449:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2ccc(C3CCOCC3)s2)c1,GZPONSNNBNFDCG-SDNWHVSQSA-N
rxn:5:189212:227501:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc(C=C[N+](=O)[O-])cc2)c1,XEHXHIRCHHLZDR-UHFFFAOYSA-N
rxn:5:189212:227505:227085,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCC3)nc2)c(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1,IDILUEYNPUHDNK-FOCLMDBBSA-N
rxn:5:189212:228071:226763,COC(=O)c1c(F)cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCO3)cc1F,GJKANWLPOGHQOL-UHFFFAOYSA-N
rxn:5:189212:228077:222992,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCCCC3O)cc2)c(-c2ccc3c(c2)C(=O)OC3)c1,CDLCWCLDJJYVAC-UHFFFAOYSA-N
rxn:5:189212:228078:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)c(-c2ccc3c(c2)COC3=O)c1,DCIAXIGBLIFHBH-UHFFFAOYSA-N
rxn:5:189212:228317:226187,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCOCC3)c2)cn1,QLDRMBWMICAACT-UHFFFAOYSA-N
rxn:5:189212:228893:222994,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cccc([N+](=O)[O-])c2)c1,CICOZISTRYWOOF-UHFFFAOYSA-N
rxn:5:189212:229086:226652,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C)nn2C2CCCCO2)s1,LLAAQVIPNQRRBB-UHFFFAOYSA-N
rxn:5:189212:229091:225407,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C2CCCCCC2)cc1,JGJOHMYAZXFDMK-UHFFFAOYSA-N
rxn:5:189662:226837:228495,Cc1nn(CC(F)(F)F)c(C)c1-c1cnc(-c2ccn(CC(F)(F)F)n2)c(OCC2CCOCC2)c1,KRGZZHKRWKAWBX-UHFFFAOYSA-N
rxn:5:189666:223389:225832,Cc1n[nH]c(C(F)(F)F)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1c(C)nn(C2CCCCO2)c1C,ASHRYZYFWZEADJ-SIMYAEKESA-N
rxn:5:189668:226428:226901,CC1CCCCN1c1csc(-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2CC(=O)N2CCCC2)c1,LCUBVNUQXVMEHO-UHFFFAOYSA-N
rxn:5:189718:223130:223306,O=[N+]([O-])c1cc(-c2ccc3c(c2)CNCC3)c(-c2ccc(CN3CC(O)C3)cc2)cc1OC1CCOCC1,SHJKRHAWSDSABA-UHFFFAOYSA-N
rxn:5:189908:226654:227279,CC1CCN(c2nc(-c3cnc(-c4cc(C5CC5)nn4C(C)C)c(OCC4CCCCC4)c3)cs2)CC1,UJOZRGXQRKQPRB-UHFFFAOYSA-N
rxn:5:190000:226837:228502,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2nn(C)cc2C(F)(F)F)ccc1CC(=O)N1CCCCC1,CRZAZZKSEQZICG-UHFFFAOYSA-N
rxn:5:190131:226464:227569,COc1ccc(F)c(OC)c1-c1cc(C(=O)N2CCCCC2)cc(-c2c(OC)ccc3c2OCCO3)c1OC,CKQSDPXAZSKWBE-UHFFFAOYSA-N
rxn:5:190131:228066:226772,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc4c(c3)OCCO4)c2OC)c(F)c1,FYCDDFNQGJCRKL-UHFFFAOYSA-N
rxn:5:190177:225469:226901,CC1CCCN(c2ccc(-c3ccc(N4C(=O)CC(Sc5ccc(-c6cccc(S(F)(F)(F)(F)F)c6)cc5)C4=O)cc3)cc2)C1,IKCPGVHVUCFGFJ-UHFFFAOYSA-N
rxn:5:190177:226901:222995,O=C1CC(Sc2ccc(-c3cccc(N4CCCC(O)C4)c3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,NCYGCEUNQPZSBO-UHFFFAOYSA-N
rxn:5:190264:226901:227824,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4CCC4)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)CC1,CNEWJLILUUVFQS-UHFFFAOYSA-N
rxn:5:190264:228434:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc(C(F)F)c(F)c3)c2)CC1,PWEUAXFCFDMPPT-UHFFFAOYSA-N
rxn:5:191026:227989:226188,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,RADHYDWIWZTZCG-UHFFFAOYSA-N
rxn:5:191234:225832:225832,COC(=O)c1nc(-c2c(C)nn(C3CCCCO3)c2C)sc1-c1c(C)nn(C2CCCCO2)c1C,BPLIHQNGANUNSB-UHFFFAOYSA-N
rxn:5:191499:225832:225832,COC(=O)c1ccc(-c2c(C)nn(C3CCCCO3)c2C)nc1-c1c(C)nn(C2CCCCO2)c1C,AWHOZQPOCWKAOF-UHFFFAOYSA-N
rxn:5:193051:227386:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1CN1CCCC1=O,NAHANFWMWRZMCO-UHFFFAOYSA-N
rxn:5:193054:226901:225986,O=C(c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCCC1,AVBBKSMESVNFJS-UHFFFAOYSA-N
rxn:5:193229:227066:225871,O=C(c1cccc(-c2cccc(C(=O)N3CCOCC3)c2-c2cccc(N3C(=O)C=CC3=O)c2)c1)C1CC1,SECOWGIDJVDNGL-UHFFFAOYSA-N
rxn:5:193332:225394:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,BLMDZVIMULYYHI-UHFFFAOYSA-N
rxn:5:193337:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(CN3CCOCC3)c1)OCCO2,COBJVQJTESSEIW-UHFFFAOYSA-N
rxn:5:193382:223389:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1S(=O)(=O)N1CCOCC1,BZJGTXZKIJKHCY-UHFFFAOYSA-N
rxn:5:193463:222991:226901,O=C1CCN(Cc2ccc(-c3ccc(N4CCCC(O)C4)cc3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,BJHWVZYEJBPWSY-UHFFFAOYSA-N
rxn:5:193465:225450:227590,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(CC(F)(F)F)cc2)c1-c1ccc(C(=O)C2CCCC2)cc1,WZWYYVFOXLWCSM-NRFANRHFSA-N
rxn:5:193465:227095:226042,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1ccc(C2CC(=O)C2)cc1,CWLNTONHTVWGIM-KRWDZBQOSA-N
rxn:5:193465:227761:222990,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCC(O)CC3)cc2)c1-c1ccc(F)cc1C(F)(F)F,ZCJDCJJYVSZJBM-IBGZPJMESA-N
rxn:5:193466:225986:227680,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1ccccc1N1CCCS1(=O)=O,WJNZVSRUHGECSF-GOSISDBHSA-N
rxn:5:193467:226031:227679,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1ccc(C(F)(F)F)cc1C(F)F,YBVCXAWIXQIMSM-AWEZNQCLSA-N
rxn:5:193467:226041:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,BSHKPKAZSQIVAO-SFHVURJKSA-N
rxn:5:193467:226041:226159,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCCC3)c2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,GITLHTXWNGLBCJ-FQEVSTJZSA-N
rxn:5:193467:226041:227799,C[C@H]1CCCN1C(=O)c1cc(-c2cnc(C(F)(F)F)c(F)c2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,DOHWDULUBLNEPK-ZDUSSCGKSA-N
rxn:5:193467:226042:227501,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,VPXTYLZRZZDYDO-KRWDZBQOSA-N
rxn:5:193467:226739:226332,CC(=O)c1ccc(-c2ccc(-c3ccccc3C(=O)N3CCC3)cc2C(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-],GOMQQNMRVGNRJG-IBGZPJMESA-N
rxn:5:193467:226742:226779,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)C(F)(F)F)cc2)ccc1-c1ccc(C#N)cc1C(F)(F)F,YWCVKWVMEQHUIS-INIZCTEOSA-N
rxn:5:193467:226779:226084,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(=O)CCCC3)ccc1-c1ccc(C(=O)C(F)(F)F)cc1,MCUWMFLBZZSXGO-IBGZPJMESA-N
rxn:5:193467:226839:226064,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1cc(C(F)(F)F)ncc1C#N,UOJLQQCFHFRIFY-FQEVSTJZSA-N
rxn:5:193467:226901:225926,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,KZOOKRWUHJJYMM-IBGZPJMESA-N
rxn:5:193467:227795:225616,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1ccc(F)c([N+](=O)[O-])c1F,ZATBHBOCJDPKQB-SFHVURJKSA-N
rxn:5:193468:225450:226876,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1ccc(F)cc1OC(F)(F)F,QTHZPKBZBOHQLD-IBGZPJMESA-N
rxn:5:193468:225584:225871,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,ZTUKNMOFLAQDSG-QFIPXVFZSA-N
rxn:5:193468:226041:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,ROCDDBAVUCAUBC-HNNXBMFYSA-N
rxn:5:193468:226042:225450,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,GCOWTYLWKRRPHK-IBGZPJMESA-N
rxn:5:193468:226084:225815,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)C(=O)CCCC3)cccc1-c1ccc(C2CC2)cc1C(F)(F)F,ORZWIOPHVBLHHA-FQEVSTJZSA-N
rxn:5:193469:225450:227758,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1-c1cc(F)ccc1C(F)(F)F,KOZLYCGHSUEKIQ-LJQANCHMSA-N
rxn:5:193469:225450:227804,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],AJRLSJXTNPRNGE-QGZVFWFLSA-N
rxn:5:193506:223186:228306,CC(C)Sc1ncc(-c2cc(-c3cnn(C4CCCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,GNJBNSPGEHELTD-UHFFFAOYSA-N
rxn:5:193506:223250:226774,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)NC(=O)CO4)cc2-c2ccc(OC(F)=C(F)F)cc2)CC1,UIKPXEMPJHLGGZ-UHFFFAOYSA-N
rxn:5:193506:223389:228195,Cc1nn(C(C)(C)C)cc1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,ZASDNTULAYIEIW-UHFFFAOYSA-N
rxn:5:193506:225616:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,KEGKZKGSUCKYBL-UHFFFAOYSA-N
rxn:5:193506:225832:228975,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(C(F)(F)F)c2)c1,SVDXVEVJSDLQJJ-UHFFFAOYSA-N
rxn:5:193506:225926:228720,Cc1cnn(C(C)C)c1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,FVDLNBFPOICSHQ-UHFFFAOYSA-N
rxn:5:193506:226652:228481,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C(F)(F)F)c3)c2)n(C2CCCCO2)n1,WHEIWEKJRMKTFQ-UHFFFAOYSA-N
rxn:5:193506:226652:228491,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cn(C)c(=O)n(C)c3=O)c2)n(C2CCCCO2)n1,GZJZQVKGTCLNTC-UHFFFAOYSA-N
rxn:5:193506:226686:228972,Cc1cnn(C2CCCCO2)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C(F)(F)F)cs2)c1,HLINIJLZYXVBJK-UHFFFAOYSA-N
rxn:5:193506:226836:227863,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)CCCO4)c2)c(C(F)(F)F)n1,KUIAXDRPGNYKLZ-UHFFFAOYSA-N
rxn:5:193506:226901:226654,CC1CCN(c2nc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)cs2)CC1,ZKWUALABEGNRLY-UHFFFAOYSA-N
rxn:5:193506:227197:226774,CN1Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(OC(F)=C(F)F)cc4)c3)cc2C1=O,MYNOWGHKKOWXTE-UHFFFAOYSA-N
rxn:5:193506:227205:226749,COc1cccc(C(F)(F)F)c1-c1cc(-c2cccc3c2OCCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,PGRPJPBQWWNVQR-UHFFFAOYSA-N
rxn:5:193506:227613:228501,Cn1ncc(-c2cc(-c3cnn(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,NBMZTLXJGBTUJX-UHFFFAOYSA-N
rxn:5:193506:228653:226743,CCc1cc(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C(F)(F)F)n1,XMMKZQFLMLFMBG-UHFFFAOYSA-N
rxn:5:193506:228653:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn3c2CCCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,UBYVNOUZUANWIO-UHFFFAOYSA-N
rxn:5:193538:225394:226464,COc1ccc2c(c1-c1ccc(CN3CCCCC3)cc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,YBJGDFJYERWUSW-UHFFFAOYSA-N
rxn:5:193540:226464:225394,COc1ccc2c(c1-c1ccc(CN3CCCCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,QLVYPFIWNMGLMC-UHFFFAOYSA-N
rxn:5:193541:225394:226464,COc1ccc2c(c1-c1cc(CN3CCCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,BQZDKTHXFLWCGA-UHFFFAOYSA-N
rxn:5:193542:225394:226464,COc1ccc2c(c1-c1c(CN3CCCCC3)cccc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,GLWICMNRZFGDNC-UHFFFAOYSA-N
rxn:5:193711:226900:226060,O=C1C(=Cc2ccccc2-c2cc(C3CC3)cc(C3CC3)c2)SC(=S)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,QZPTYDALLHEZKD-UHFFFAOYSA-N
rxn:5:193869:228200:228497,Cc1cc(-c2ccnn2C2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnn1CC(F)(F)F,WYLNZOQLTOILND-UHFFFAOYSA-N
rxn:5:193870:226835:229092,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)nn(C)c2C)cc1-c1cc(C(F)(F)F)nn1C(C)C,VIZQIMDQLLZJGU-UHFFFAOYSA-N
rxn:5:193870:226837:228458,CSc1ncc(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)c(C)cc2S(=O)(=O)N2CCCCC2)c(SC)n1,PXWVZFHHLJJZJZ-UHFFFAOYSA-N
rxn:5:193912:226901:227450,O=C1CS(=O)C(c2ccc(-c3cccc(C4CC4(F)F)c3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,SSHPAUPHCCGHCD-UHFFFAOYSA-N
rxn:5:193932:227811:226901,CC(C)Cc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,UYQHONHEGOUJQF-UHFFFAOYSA-N
rxn:5:193967:227807:227056,COc1cccc(C2CC2)c1-c1cc(-c2cccc3c2CCCC3)ccc1CN1CCC2(CC1)OCCO2,GMRUBCNQTSWPBR-UHFFFAOYSA-N
rxn:5:193967:227807:227058,COc1ccc(C2CC2)cc1-c1cc(-c2cccc3c2CCCC3)ccc1CN1CCC2(CC1)OCCO2,AXJATSSWNWVOEV-UHFFFAOYSA-N
rxn:5:193967:227807:227072,COc1cc(C2CC2)ccc1-c1cc(-c2cccc3c2CCCC3)ccc1CN1CCC2(CC1)OCCO2,OSAKMQAZAODJQH-UHFFFAOYSA-N
rxn:5:193967:227808:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc3c(c2)CCCC3)ccc1CN1CCC2(CC1)OCCO2,PNDUCJORXRGVQR-UHFFFAOYSA-N
rxn:5:193967:227808:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc3c(c2)CCCC3)ccc1CN1CCC2(CC1)OCCO2,CQJFRKGAXWXZKQ-UHFFFAOYSA-N
rxn:5:193967:227808:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc3c(c2)CCCC3)ccc1CN1CCC2(CC1)OCCO2,DICDQCPYHYIYME-UHFFFAOYSA-N
rxn:5:193968:227807:227056,COc1cccc(C2CC2)c1-c1ccc(-c2cccc3c2CCCC3)cc1CN1CCC2(CC1)OCCO2,GLFXLSNRDQCAOG-UHFFFAOYSA-N
rxn:5:193968:227807:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2cccc3c2CCCC3)cc1CN1CCC2(CC1)OCCO2,BZZNTBHRTRROSA-UHFFFAOYSA-N
rxn:5:193968:227807:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2cccc3c2CCCC3)cc1CN1CCC2(CC1)OCCO2,WEMBLYWMYUBBBF-UHFFFAOYSA-N
rxn:5:193968:227808:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccc3c(c2)CCCC3)cc1CN1CCC2(CC1)OCCO2,SHFNKKJMHDJRCT-UHFFFAOYSA-N
rxn:5:193968:227808:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)CCCC3)cc1CN1CCC2(CC1)OCCO2,LLTDCJPPHCEBRS-UHFFFAOYSA-N
rxn:5:193968:227808:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2ccc3c(c2)CCCC3)cc1CN1CCC2(CC1)OCCO2,YUQSPTGGGQQQGI-UHFFFAOYSA-N
rxn:5:193972:229245:226837,Cc1cc(-c2cc(C)c(-c3c(C)nn(CC(F)(F)F)c3C)cc2S(=O)(=O)N2CCCCCC2)n(C)n1,AMNJLXMUOVFJAO-UHFFFAOYSA-N
rxn:5:194561:225945:229075,Cc1cc(-c2ccc(-c3ccc(C#CC(F)(F)F)c(F)c3)cc2C(=O)N2C3CCC2COC3)sc1C#N,OPNHMWRMFRIBQA-UHFFFAOYSA-N
rxn:5:194561:228434:226901,O=C(c1cc(-c2ccc(C(F)F)c(F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1COC2,DWJMUBUIHWLLFR-UHFFFAOYSA-N
rxn:5:194575:226901:226425,CC1CCCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)C3)s1,NGGKZJYAIZDMLV-UHFFFAOYSA-N
rxn:5:194733:225480:226900,O=C(c1cc(-c2ccc(-c3ccc(F)cc3)cc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,OEOCBFDUEHRBOH-UHFFFAOYSA-N
rxn:5:194733:225489:226901,O=C(c1cc(-c2cc(F)cc(-c3ccccc3)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,AAWGHWCQWYOAJU-UHFFFAOYSA-N
rxn:5:194733:225694:226901,O=C(c1cc(-c2cccnc2-c2ccccc2F)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,NXZRSQMXJCTETE-UHFFFAOYSA-N
rxn:5:194733:229075:228970,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)s3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)sc1C#N,YNMIIKHXOYOTNQ-UHFFFAOYSA-N
rxn:5:195650:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(-c2c(C)nn(C3CCCCO3)c2C)c(S(C)(=O)=O)c1,MMUPOGOLOMXWGN-UHFFFAOYSA-N
rxn:5:196198:226197:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(C3CCCOC3)cc2)c1,OZZFFMFNQGGUHJ-UHFFFAOYSA-N
rxn:5:196533:225832:228199,Cc1nn(C2CCC2)cc1C1CC(=O)N(c2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc2)C1=O,QEOWBMPCJPNEIS-UHFFFAOYSA-N
rxn:5:196789:225584:226332,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccccc3C(=O)N3CCC3)c2)cc1)N1CCCC1,QUJGPNNJYPHSSP-UHFFFAOYSA-N
rxn:5:196869:225926:225987,O=S1(=O)CCCN1c1ccc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2N2CCOCC2)cc1,PIFARKGEXGTGCD-UHFFFAOYSA-N
rxn:5:196870:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCOCC2)c1,LBLGDPNBCRARIO-UHFFFAOYSA-N
rxn:5:196916:226186:225873,O=C1COCCN1c1cccc(-c2ccc(N3CCCCC3=O)c(-c3ccccc3C3CCOCC3)c2)c1,SBKFYNZXHHXVKE-UHFFFAOYSA-N
rxn:5:196916:226686:226729,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(OC3CCOC3)nc2)ccc1N1CCCCC1=O,NPPHSLMSAPMWED-UHFFFAOYSA-N
rxn:5:196916:226845:226837,COc1ncc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1N1CCCCC1=O,VSUDWVJXRHSZFP-UHFFFAOYSA-N
rxn:5:196923:225832:227206,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCCCC2=O)cc1-c1ccc2c(c1C)COC2=O,DSYVCRRFWAVCAK-UHFFFAOYSA-N
rxn:5:196970:222998:223064,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,BAMDKUOGXCUETN-UHFFFAOYSA-N
rxn:5:196970:225833:223007,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccnc(N3CCCCC3)c2F)cc(C2CCNCC2)c1,PKJKNCSSCBTXTC-UHFFFAOYSA-N
rxn:5:196970:225849:223007,Fc1cc(-c2nccc(C3CCCCC3)c2-c2cnc(N3CCCCC3)cc2F)cc(C2CCNCC2)c1,XPSJMIMVYJYLHA-UHFFFAOYSA-N
rxn:5:197876:223389:228496,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1cnn(CC(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,OWOXVEOYZLJHLK-UHFFFAOYSA-N
rxn:5:197876:226047:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3ccc(OC(F)(F)F)c(F)c3F)cc2S1(=O)=O,MNLOLUCPYRBOGZ-UHFFFAOYSA-N
rxn:5:197876:226188:227299,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(F)cc(CN(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WSWVGVUURPRKGY-UHFFFAOYSA-N
rxn:5:197876:226188:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SWNYYEIKEYFHDU-UHFFFAOYSA-N
rxn:5:197876:226188:228182,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cccc(CC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,BVPKJCRDGUNJRO-UHFFFAOYSA-N
rxn:5:197876:226346:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RNDHYVHKNFXQCQ-UHFFFAOYSA-N
rxn:5:197876:226346:227909,CCC(C)c1cc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,FOBPILSNLRNVQO-UHFFFAOYSA-N
rxn:5:197876:226346:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,CUYPNLISHHAMMP-UHFFFAOYSA-N
rxn:5:197876:226709:227951,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc([N+](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,BTDBTCIHBGJLOW-UHFFFAOYSA-N
rxn:5:197876:226709:227976,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc([Si](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,MTVNXTKFUQGTEN-UHFFFAOYSA-N
rxn:5:197876:226710:227964,CC1(c2cncc(-c3cc4c(cc3-c3ccc(F)c([Si](C)(C)C)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,PXYQRYZRCHURAL-UHFFFAOYSA-N
rxn:5:197876:226761:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SZFBPRHXOVDUDS-UHFFFAOYSA-N
rxn:5:197876:226761:227831,CCc1c(C)cc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,QAEUMZDIIKGXOP-UHFFFAOYSA-N
rxn:5:197876:226761:228307,CON(C)c1cc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,QTQFBPZIVLUGKZ-UHFFFAOYSA-N
rxn:5:197876:226762:225886,CSc1cc(-c2cc3c(cc2-c2ccc4c(ccn4S(C)(=O)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BWICHHQOZSJMIS-UHFFFAOYSA-N
rxn:5:197876:226851:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(OC)ncc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,NMAXWZWVDXDBCL-UHFFFAOYSA-N
rxn:5:197876:227076:226912,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)cc(CC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QVPUARBVQQIRJP-UHFFFAOYSA-N
rxn:5:197876:227076:226917,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QYQYTFISZVJMMH-UHFFFAOYSA-N
rxn:5:197876:227076:227299,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(CN(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MOAZEMPWRFMCNK-UHFFFAOYSA-N
rxn:5:197876:227076:227670,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HTSBXXDFHXXMDX-UHFFFAOYSA-N
rxn:5:197876:227076:227715,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RNTNDDHCNAKWTR-UHFFFAOYSA-N
rxn:5:197876:227297:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(CN(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PQLNNKUSIAWJNS-UHFFFAOYSA-N
rxn:5:197876:227297:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(CN(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FHPQSJIGAQMUBQ-UHFFFAOYSA-N
rxn:5:197876:227297:226917,Cc1cc(-c2cc3c(cc2-c2cc(CN(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,IFTDJXBQLPFRFD-UHFFFAOYSA-N
rxn:5:197876:227503:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cc(OC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DSRAOZLHKLCZJA-UHFFFAOYSA-N
rxn:5:197876:227713:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CGEWTKNUEQARAL-UHFFFAOYSA-N
rxn:5:197876:227713:226061,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,SFBQEGSIYPCPCY-UHFFFAOYSA-N
rxn:5:197876:227713:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JHCRFWISTDJCFW-UHFFFAOYSA-N
rxn:5:197876:227713:226917,Cc1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,BYDZHCNABHIHDI-UHFFFAOYSA-N
rxn:5:197876:227713:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JBSUOOWQQHVIPU-UHFFFAOYSA-N
rxn:5:197876:227713:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,PGFXNVWXIFWEBR-UHFFFAOYSA-N
rxn:5:197876:227713:227088,Cc1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)n1,LSXWICYWWOZPOS-UHFFFAOYSA-N
rxn:5:197876:227713:227276,CCc1cc(N(C)C)ncc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WNYZCLJQFBNSNK-UHFFFAOYSA-N
rxn:5:197876:227713:227293,CC(C)(C)Oc1cncc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LQSWYOLFKQPURD-UHFFFAOYSA-N
rxn:5:197876:227713:227294,Cc1cnc(OC(C)C)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FCUDHIQKSAQMQI-UHFFFAOYSA-N
rxn:5:197876:227713:227305,Cc1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(OC(C)C)n1,PSETXEWQIRVNPD-UHFFFAOYSA-N
rxn:5:197876:227713:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,VXSATOLRWWNQER-UHFFFAOYSA-N
rxn:5:197876:227713:227313,CCC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,YNINIGKVQJAZRU-UHFFFAOYSA-N
rxn:5:197876:227713:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,DBGXZTOUDYYKOI-UHFFFAOYSA-N
rxn:5:197876:227717:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XHSZRWGQSTWNBL-UHFFFAOYSA-N
rxn:5:197876:227717:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WOSKZVAHYCIKRE-UHFFFAOYSA-N
rxn:5:197876:227717:227309,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,ZKFOYLIESZLHCS-UHFFFAOYSA-N
rxn:5:197876:227717:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,CUFVQDDWZDTKSK-UHFFFAOYSA-N
rxn:5:197876:227717:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,UDWZFXQBBYDSEB-UHFFFAOYSA-N
rxn:5:197876:227717:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JAXUYPRXFVYMFP-UHFFFAOYSA-N
rxn:5:197876:227724:226917,Cc1cc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,BTCYQQMXNCNLPM-UHFFFAOYSA-N
rxn:5:197876:227724:227309,CCC(C)c1cc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,LSZPRIPRMGRDBO-UHFFFAOYSA-N
rxn:5:197876:227766:228292,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccnc3c1OCCO3)C(=O)N(C(C)(C)C)S2(=O)=O,BDNZBTIKALRTQL-UHFFFAOYSA-N
rxn:5:197876:227810:226188,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,GMDBEMVVIGDKPD-UHFFFAOYSA-N
rxn:5:197876:227830:226710,CC1(c2ccc(-c3cc4c(cc3-c3ccc(F)c([Si](C)(C)C)c3F)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,KJVSEXFCVLWOLC-UHFFFAOYSA-N
rxn:5:197876:228194:227497,Cc1nc(OC(C)C)ncc1-c1cc2c(cc1-c1c(C)nn(C(C)C)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,GXANJQZRVHCFST-UHFFFAOYSA-N
rxn:5:197876:228199:228496,Cc1nn(C2CCC2)cc1-c1cc2c(cc1-c1cnn(CC(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,UEDLKDSQUZOAOE-UHFFFAOYSA-N
rxn:5:197876:228307:226762,CON(C)c1cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccn1,UVEOIUNTYXRRJE-UHFFFAOYSA-N
rxn:5:197876:228361:226762,CSc1cc(-c2cc3c(cc2-c2cc(N(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,IBSJLGVOKYUXEN-UHFFFAOYSA-N
rxn:5:197876:228415:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,HIMFHZJLQSYBMK-UHFFFAOYSA-N
rxn:5:197876:228415:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1cc(F)ccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UZFHHZZIORQZQG-UHFFFAOYSA-N
rxn:5:226901:193753:227552,CC1CCCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)cc(-c2ccccc2CC(F)(F)F)c1,LRIDKOWGADLTTF-UHFFFAOYSA-N
rxn:5:226901:193753:227749,CC1CCCCN1C(=O)c1cc(-c2cc(F)cc(C(F)(F)F)c2)cc(-c2cccc(S(F)(F)(F)(F)F)c2)c1,RFOHIAFZAZJRSK-UHFFFAOYSA-N
rxn:4:173340:224598,CCOC(=O)CC(=O)c1cc(-c2ccc(N3CCC(C)CC3)cc2OC)cc(C(F)(F)F)c1,JUBGCESGSKZSRM-UHFFFAOYSA-N
rxn:4:173423:222623,CCC(C)c1cc(-c2ccc(OCC(F)(F)F)c(OCC(C)C)c2)cc(C2CCNCC2)n1,CLFXVDPBPHBDTD-UHFFFAOYSA-N
rxn:4:173423:224394,Cc1ccc(-c2ccc(OCC(F)(F)F)c(OCC(C)C)c2)cc1S(=O)(=O)N1CCOCC1,ZRMBJJQLDYMSND-UHFFFAOYSA-N
rxn:4:173572:223786,CN1CCN(CCCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2Cl)CC1,VLLNYOGTFJFISZ-UHFFFAOYSA-N
rxn:4:173860:223594,CCCOc1ccc(OC(F)(F)F)cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,WCCWKEUHZBBRQZ-UHFFFAOYSA-N
rxn:4:173989:223712,COCCOc1c(C(C)=O)cccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,HWQZCTYXAKGTOQ-UHFFFAOYSA-N
rxn:4:174243:223650,COC(=O)c1ccc(OCc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,PIWXOVHIQQCQES-UHFFFAOYSA-N
rxn:4:174283:223481,COc1ccc(COc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c(C(F)F)c2)cc1,ZNRJIAPKBLVHAD-UHFFFAOYSA-N
rxn:4:174316:224327,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,DPHCNXVRZSXANQ-UHFFFAOYSA-N
rxn:4:174372:224318,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,FBPGNBRAHXBMJJ-UHFFFAOYSA-N
rxn:4:174390:223532,COC(=O)c1cc(C)cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OCc1ccccc1,INVTZCDSPFEGKO-UHFFFAOYSA-N
rxn:4:174663:223237,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccccc2)cc1,NHPZRPBVEBDRJX-FQEXLZSCSA-N
rxn:4:174663:224397,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,HQNAXEQKKQOBAF-HTDAYYDWSA-N
rxn:4:174663:225460,Cc1ccccc1-c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccn1,HOFTUJBMDQTGAZ-SFPUTPFGSA-N
rxn:4:174663:226289,COc1cccc(OC(C)C)c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,CFPRSVKSEACXKK-WCPMADGESA-N
rxn:4:174663:226945,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c2ncccc2c1,XXVLIMPJNHSGGN-VMQNBSBISA-N
rxn:4:174663:227101,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)cc1C1CC1,XYHIYTGGPVXBBY-SRHSFPHBSA-N
rxn:4:174663:227364,COc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(OC)c1C,MHDSSHARPANICI-LQTLMSLGSA-N
rxn:4:174663:228046,Cn1ccc2c(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccnc21,XSKRPZWZRQUQGK-OUYRWIGOSA-N
rxn:4:174663:228362,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(Cl)nc2C2CC2)cc1,MFKBANCRUBXYPC-SSFXTOADSA-N
rxn:4:174663:228967,Cn1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C(F)F)n1,WWAWKJUZCXNFDC-KLDFKBCFSA-N
rxn:4:174663:228986,Cc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1C,DHZDFTSPXNVSNT-MCPNDBPUSA-N
rxn:4:174663:229070,COc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,OJFYVCCLWRCNBA-IJSUORRQSA-N
rxn:4:175320:223712,CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,YLVRTLNZZDQJNX-OXBRFIDXSA-N
rxn:4:175341:222524,COC(=O)C(c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)ccc1F)C1CC1,JLXHLPUVLKYGSY-UHFFFAOYSA-N
rxn:4:176119:223886,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2F)cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1,KKSZOOGQTNXTKH-UHFFFAOYSA-N
rxn:4:176127:223505,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,OQXGRYVMEDPYHZ-UHFFFAOYSA-N
rxn:4:177158:222426,CCOC(=O)c1cc(C)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,BVUQMYVWVCMULL-UHFFFAOYSA-N
rxn:4:177282:223505,CC(C)OCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)c1,BLRUBWRDJCWQEV-UHFFFAOYSA-N
rxn:4:177976:222522,COc1ccc(-c2cc(F)cc(OCC3CCCC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,KTNZEMHJLRRSQD-UHFFFAOYSA-N
rxn:4:178041:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c2)CC1,PIJBLLVCZYTREQ-UHFFFAOYSA-N
rxn:4:178184:223958,CCN1CCN(C(=O)c2ccc(-c3cc(OC(C)C)c(F)c(C4OCCO4)c3)cc2F)CC1,LMOFJBUSLRPMMK-UHFFFAOYSA-N
rxn:4:180447:224760,CC1(C)OC(=O)C(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)O1,QYXXTHNFZZQBBL-UHFFFAOYSA-N
rxn:4:180581:223823,COC(=O)c1sc2c(c1-c1cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c1)CCC2,QMFIGTSHQQDLAY-UHFFFAOYSA-N
rxn:4:181262:223602,CC(=O)c1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc(F)c(F)c1F,HCNPXUWEHYPZTG-UHFFFAOYSA-N
rxn:4:182396:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)CC1,JXWSWNDBLJCVIU-UHFFFAOYSA-N
rxn:4:183271:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,FKZGZMBNVAUCMF-UHFFFAOYSA-N
rxn:4:183272:228169,CCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1Cl,CDUXMAFSYZSIDG-UHFFFAOYSA-N
rxn:4:183273:223200,c1cc(C2CCNC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ACVQZJGNSVOLCO-UHFFFAOYSA-N
rxn:4:183274:226128,O=C(CC1CC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1,XSPZTGRBKKAGHN-UHFFFAOYSA-N
rxn:4:183486:224406,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,SWJDLXNARGPTAW-UHFFFAOYSA-N
rxn:4:183624:224285,CCN(CC)C(=O)COc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cc1F,HORFOHXENIRZLR-UHFFFAOYSA-N
rxn:4:183803:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCCCC1,VNNOJFUPQHFAND-UHFFFAOYSA-N
rxn:4:183803:226760,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)cc(F)c1F,BHYFMIRIMLORAK-UHFFFAOYSA-N
rxn:4:183880:223084,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2F)C1,VSKJJVWDDWGQBY-UHFFFAOYSA-N
rxn:4:183881:223638,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)C1,AEJGJTWOVOWPKB-UHFFFAOYSA-N
rxn:4:183881:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3F)c2F)C1,LUKJRHJYZMPFTM-UHFFFAOYSA-N
rxn:4:183881:223935,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c(F)c2)C1,HFGAKBFBGTYECR-UHFFFAOYSA-N
rxn:4:183881:224604,Cc1nc2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3F)c(F)cc2n1C(C)(C)C,HAEJRMHKRNZFLV-UHFFFAOYSA-N
rxn:4:183882:223084,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cnc(N4CCC(O)CC4)nc3)c2)C1,GSMYWPXWUWBNPJ-UHFFFAOYSA-N
rxn:4:183882:226897,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cnc(OCC(F)(F)F)nc3)c2)C1,TYCYYXLMAATXJP-UHFFFAOYSA-N
rxn:4:183906:226540,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(=O)OCC)ccc1F,BZLSREOSWCVAPM-UHFFFAOYSA-N
rxn:4:183944:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,WEZNCRUDDZSZLL-UHFFFAOYSA-N
rxn:4:183944:227222,CCN(CC)c1ccc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)cn1,PBFPYYRYWNQSPX-UHFFFAOYSA-N
rxn:4:183961:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)cc(C(F)(F)F)c2)CC1,DIPQQHTUXNSHCL-VWLOTQADSA-N
rxn:4:183961:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)C1,SOXHEBCLMYCGGL-QHCPKHFHSA-N
rxn:4:183963:223491,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,JXTBYHLFCQMTFY-UHFFFAOYSA-N
rxn:4:183965:223951,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c1,HQHGIUMBXRFBFA-UHFFFAOYSA-N
rxn:4:184014:226486,COC(=O)COc1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,SLARRZMLSGOICH-UHFFFAOYSA-N
rxn:4:184017:223576,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XMPFJIKLPFQSBQ-UHFFFAOYSA-N
rxn:4:184018:223646,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,AXBYCVGNTPFHMI-UHFFFAOYSA-N
rxn:4:184020:223527,Cc1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,SJZNFPYIRLFLAU-MHZLTWQESA-N
rxn:4:184022:223774,COc1cccc2c1cc(-c1ccc(Cl)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1)n2C(=O)OC(C)(C)C,IJAKNEMAPOFDNB-UHFFFAOYSA-N
rxn:4:184022:223786,CN1CCN(CCCOc2ccc(-c3ccc(Cl)cc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,KNCPCKVCEBKQHV-UHFFFAOYSA-N
rxn:4:184022:223787,CN1CCN(CCCOc2ccc(-c3ccc(Cl)cc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,GKUNZCQUNLIZLZ-UHFFFAOYSA-N
rxn:4:184024:222893,CCOC(=O)c1n[nH]c2cc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc12,GTRMBTRDFSYKGV-UHFFFAOYSA-N
rxn:4:184024:223588,Cc1cc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZGZNPGGUBAKIOQ-UHFFFAOYSA-N
rxn:4:184024:224158,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c2)C1,GSCBAPCMTGCCEH-UHFFFAOYSA-N
rxn:4:184026:223683,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc2Cl)C1,YQVFCBDRMSTPPF-UHFFFAOYSA-N
rxn:4:184029:226511,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(Cl)cnc3OCC3CC3)c2F)CC1,GNYNUKWXYMBLTA-UHFFFAOYSA-N
rxn:4:184031:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2[N+](=O)[O-])CC1,FZJZEEZPRVMZSH-UHFFFAOYSA-N
rxn:4:184056:223498,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,AXIRLAUQFOEMPG-UHFFFAOYSA-N
rxn:4:184216:223490,Cc1ccc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IUJWYBDWLCTHQU-UHFFFAOYSA-N
rxn:4:184216:223683,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c3ccccc3c2)CC1,FFPNTSUQZIBCHD-UHFFFAOYSA-N
rxn:4:184420:223526,CCOC(=O)c1cc(C(F)F)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C#N,IWZHEBKKJWSNBL-UHFFFAOYSA-N
rxn:4:184420:223904,CCOC(=O)c1cc(C(F)F)c(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C#N,KIGWFMRBIFPMFG-UHFFFAOYSA-N
rxn:4:184561:223928,CCOC(=O)c1cc(C#N)c(OC)cc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,BROKGIQQBVCKLR-UHFFFAOYSA-N
rxn:4:184628:224009,CCOC(=O)Cc1cc(C)cc(C#N)c1-c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,JONFHNFCBCFOGS-UHFFFAOYSA-N
rxn:4:184762:224712,COC(=O)c1cc(-c2ccc(C(OC(C)=O)OC(C)=O)cc2)cn1C(=O)OC(C)(C)C,KGXLNMRRACDXKS-UHFFFAOYSA-N
rxn:4:184864:224161,COC(=O)C(c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1OC)N(C)C,YFSWMNUTKDBDKU-UHFFFAOYSA-N
rxn:4:185025:223941,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc2)C1,CNCVXTRNXFDUJO-UHFFFAOYSA-N
rxn:4:185027:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(SC2CN(C(=O)OC(C)(C)C)C2)c1,CJVAPPJSXQHALN-UHFFFAOYSA-N
rxn:4:185108:222997,O=S(=O)(c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2C2CCCNC2)c1)N1CCCC1,QJPHATTWVIRODI-UHFFFAOYSA-N
rxn:4:185124:223500,CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,LSWQIMZOVFLPNY-UHFFFAOYSA-N
rxn:4:185124:223636,CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,ASVRQQMOEKTVGX-UHFFFAOYSA-N
rxn:4:185146:226792,COc1cc(C(=O)N2CCOCC2)c(-c2cnc(N3CCOCC3)nc2)c(OC)c1OC,BDRSBRFCRBWLFP-UHFFFAOYSA-N
rxn:4:185149:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,PAQDHNQQSRGWDG-UHFFFAOYSA-N
rxn:4:185197:225294,CCN1CCN(c2ncc(-c3ccc(C)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,RGSWTLFQZNVZHS-UHFFFAOYSA-N
rxn:4:185204:224964,COc1ccc(-c2ccc(COC3CCOCC3)cc2)cc1C1CN(C(=O)OC(C)(C)C)C1,YRRBVZUHVISYGE-UHFFFAOYSA-N
rxn:4:185208:223883,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2F)C1,BIIFESOROQISDN-UHFFFAOYSA-N
rxn:4:185208:226502,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)cc2F)C1,RHSPXELPZLYRQV-UHFFFAOYSA-N
rxn:4:185261:222723,CCN(C(=O)c1cc(OC)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1)C1CCCCC1,BHSIEYHGGJRBQW-UHFFFAOYSA-N
rxn:4:185267:224396,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)c2)CC1,VYZUCWWSMNQPJR-UHFFFAOYSA-N
rxn:4:185271:223773,COc1cccc2cc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)n(C(=O)OC(C)(C)C)c12,LNJBIWBRBQRMCZ-UHFFFAOYSA-N
rxn:4:185309:223505,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,QEERETJYTHLHOZ-UHFFFAOYSA-N
rxn:4:185318:223045,CC(C)NC(=O)c1ccc(F)c(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,VFPVAHVMYKATMB-UHFFFAOYSA-N
rxn:4:185318:223480,Cc1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PCZJOYBTASMNJO-UHFFFAOYSA-N
rxn:4:185323:223928,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2F)CC1,GGHDFPSQBMGXFC-UHFFFAOYSA-N
rxn:4:185324:223939,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,NWMSTYVCEXUZSQ-UHFFFAOYSA-N
rxn:4:185354:223670,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,KCDJYMGGZTVLSC-UHFFFAOYSA-N
rxn:4:185354:225312,CN1CCCN(c2ncc(-c3ccccc3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,PPIUGIYZQCROHD-UHFFFAOYSA-N
rxn:4:185371:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1Cl,YYRXQKPFABMBTH-UHFFFAOYSA-N
rxn:4:185378:226567,COC(=O)C(=O)c1ccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VPPQIWMBGBQSMT-UHFFFAOYSA-N
rxn:4:185381:223521,CC(c1cccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,GNGJSUUSCAGLET-UHFFFAOYSA-N
rxn:4:185381:228727,COc1ncc(C)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,KMPHRPLVCXEJAE-UHFFFAOYSA-N
rxn:4:185388:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)cc2Cl)CC1,YKVFOUKDQRUOEB-UHFFFAOYSA-N
rxn:4:185388:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)cnc1Cl,HNJHNKNUWYJJKM-UHFFFAOYSA-N
rxn:4:185401:224392,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,SGKPCHSMTLNAOG-UHFFFAOYSA-N
rxn:4:185405:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)CC1,AOCKIGADCWCJNU-UHFFFAOYSA-N
rxn:4:185407:224244,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)c(C(=O)N2CCC(C)CC2)c1,PQVWJMSBVKSFGM-UHFFFAOYSA-N
rxn:4:185408:224277,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)ccc2C2CC2)C1,DIORETSTJGKKKJ-UHFFFAOYSA-N
rxn:4:185409:225233,CC1CCCN(c2cc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)C4)c3)cnc2Cl)C1,JHBPPDJBWVVUBC-UHFFFAOYSA-N
rxn:4:185411:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)cc1,SFLFZRRMHSTZPC-UHFFFAOYSA-N
rxn:4:185414:222947,Cc1cc(Cl)cc(-c2cnc(N3CCCC(O)C3)nc2Cl)c1OC1CCN(C(=O)OC(C)(C)C)CC1,XSIMVMNQNACEMI-UHFFFAOYSA-N
rxn:4:185419:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccc3C3CC3)cc(C(F)(F)F)c2)CC1,ZVLKNXJGPXIFCZ-UHFFFAOYSA-N
rxn:4:185421:223748,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)c(C3CC3)c2)C1,IVLZVDGVVDXWRH-UHFFFAOYSA-N
rxn:4:185430:223492,Cc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IMLQZWNFWQIZKY-UHFFFAOYSA-N
rxn:4:185442:223576,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2COC2)c1,USEBYSOLNDHTJF-UHFFFAOYSA-N
rxn:4:185442:223596,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2COC2)c1,GTIIWANZQPDACI-UHFFFAOYSA-N
rxn:4:185446:223598,CC(c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,IADGPHUQFUSWFA-UHFFFAOYSA-N
rxn:4:185452:223594,CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,UQUOYLUSFJQMPD-UHFFFAOYSA-N
rxn:4:185453:225407,O=S(=O)(Oc1cc2c(-c3ccc(C4CCCCCC4)cc3)cccc2n1CC(F)(F)F)C(F)(F)F,VOBWWJMIJQOQIR-UHFFFAOYSA-N
rxn:4:186283:223903,CCOC(=O)c1ccc(S(N)(=O)=O)c(-c2ccccc2CCC(=O)N2CCC(=O)CC2)c1,NHMYDZBTXWKIDU-UHFFFAOYSA-N
rxn:4:186346:223649,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CSSPNPUVHDXYHB-UHFFFAOYSA-N
rxn:4:186391:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3COC(=O)c3cccnc3)cc2)CC1,FFPPZWMMOBSMIO-UHFFFAOYSA-N
rxn:4:186533:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2Cl)CC1,OTQCJKQECGLIOZ-UHFFFAOYSA-N
rxn:4:186547:223589,CCN(CC)Cc1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c1,VVRBEVIEYCTTOI-UHFFFAOYSA-N
rxn:4:186658:224904,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(C(=O)C2CCCCC2)cc1,ONONYXCCHAXBAK-UHFFFAOYSA-N
rxn:4:186660:223943,COc1cccc(-c2c(Cl)c(C)cc3c2cnn3C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,CKOOQCWFDIBWLY-UHFFFAOYSA-N
rxn:4:186662:223926,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1C(=O)ON1C(=O)CCC1=O,LJEIALSVXQMEJU-UHFFFAOYSA-N
rxn:4:186662:224329,COc1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)cc1C(=O)ON1C(=O)CCC1=O,VWVNRNOOKGYIIX-UHFFFAOYSA-N
rxn:4:186790:224017,O=C(C1CC1)N1CC(Oc2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cc2)C1,BDIQPDGWFGHACB-UHFFFAOYSA-N
rxn:4:186874:222684,Fc1cc(OCCN2CCOCC2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,DNOKSDPLFFMBRY-UHFFFAOYSA-N
rxn:4:186990:222844,O=C(Nc1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)c1)C1CCCC1,UMWDCSCFSSEMPK-UHFFFAOYSA-N
rxn:4:187011:225987,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2F)C1=O,HJDCMUGYRLRCRJ-FQEVSTJZSA-N
rxn:4:187074:224593,COC(=O)c1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc1CN1CCOCC1,JZWIOKLMDYJGGT-UHFFFAOYSA-N
rxn:4:187189:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)cc12,RFOKDOQIUPIBTH-UHFFFAOYSA-N
rxn:4:187190:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,UQWYMXGCCUNGIU-UHFFFAOYSA-N
rxn:4:187207:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cl)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)c1,KPEGSPLQUOHACX-UHFFFAOYSA-N
rxn:4:187214:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,FXOHOJHYXVJTNW-UHFFFAOYSA-N
rxn:4:187219:223652,COc1ccc(Cl)c2cc(-c3ccc(F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,IFQDGZIQQKHHLO-UHFFFAOYSA-N
rxn:4:187220:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)C1,SGIFWZKFEBVXOQ-UHFFFAOYSA-N
rxn:4:187222:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)c2Cl)CC1,QMAISZWNKRAHEH-UHFFFAOYSA-N
rxn:4:187290:222588,CC1CCN(CCOc2ccccc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,MRAAXQCMYLYLGX-UHFFFAOYSA-N
rxn:4:187374:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)CC(=O)N2CCC(C)CC2)c1,JVBZEUPNMMJGMO-UHFFFAOYSA-N
rxn:4:187384:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)c(F)c2)CC1,DMLGTHPGQOCPOX-UHFFFAOYSA-N
rxn:4:187384:225232,CC1CCN(c2cc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)cnc2Cl)CC1,KNHFNRXSCZFNKA-UHFFFAOYSA-N
rxn:4:187418:224720,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,BYUOLGYTYGHCOM-UHFFFAOYSA-N
rxn:4:187420:223589,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C,JPFIJFHPGFQOGW-UHFFFAOYSA-N
rxn:4:187437:223529,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,IPRFBIKADRJJEG-UHFFFAOYSA-N
rxn:4:187439:224720,CC(C)(C)OC(=O)N1CCCC(c2coc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,WZTQTQMRGIIRHQ-UHFFFAOYSA-N
rxn:4:187441:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)o3)cc2)CC1,XOGVMGHCPWVTFY-UHFFFAOYSA-N
rxn:4:187483:224818,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(OC)c1,HXLCGPMCYRAWEN-UHFFFAOYSA-N
rxn:4:187484:223842,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCCC1C,HHWCAHOEUQJZRH-UHFFFAOYSA-N
rxn:4:187488:223598,CCOc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,QFEHTZWLUWVQTR-UHFFFAOYSA-N
rxn:4:187492:225992,CC(C)Cn1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c(C(F)(F)F)n1,KEMGSFSQJMFKIX-UHFFFAOYSA-N
rxn:4:187494:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)cc12,HECBQACPXRSWRA-UHFFFAOYSA-N
rxn:4:187498:225292,COc1cc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)cc(OC)c1C(=O)N1CCC(C)CC1,HKFDLSQDZFXMCB-UHFFFAOYSA-N
rxn:4:187499:223691,COc1cc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc(OC)c1C(=O)N1CCCC(C)C1,DUHNKMFFTHKHPJ-UHFFFAOYSA-N
rxn:4:187500:222622,CCC(C)c1cc(-c2cc(OC)c(C(=O)N3CCCCC3C)c(OC)c2)cc(C2CCCNC2)n1,XZIVOVXKBYMAEJ-UHFFFAOYSA-N
rxn:4:187542:225380,COc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(OC)c1CN1CCC(C)CC1,VUTOAADIBNJORO-UHFFFAOYSA-N
rxn:4:187550:227766,CCn1nc(C(F)(F)F)cc1-c1cc(OC)c(S(=O)(=O)N2CCCCCC2)cc1OC,UEHOJGGJXYUTAB-UHFFFAOYSA-N
rxn:4:187557:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc([C@H]2CCCC(=O)N2C(=O)OC(C)(C)C)cc1,JCIKHDCWNTUFCW-ANWICMFUSA-N
rxn:4:187573:223823,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,TVLSORQVAOETIC-UHFFFAOYSA-N
rxn:4:187578:223646,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,QDHCOWGNQOCLOL-UHFFFAOYSA-N
rxn:4:187579:223823,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,DCNOESPKQUMQEF-UHFFFAOYSA-N
rxn:4:187579:225947,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cnc(N3CCN(C)CC3)nc2)c1,ICBNADQYXIVHFG-UHFFFAOYSA-N
rxn:4:187581:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)co1,YFKMCIDWIFDQOA-UHFFFAOYSA-N
rxn:4:187583:223932,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccc2Cl)CC1,SRZUTSZRLMLKJV-UHFFFAOYSA-N
rxn:4:187592:225570,COC(=O)c1ccc(C2CC2)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1,OBGTUJWAEFVEIK-UHFFFAOYSA-N
rxn:4:187592:226567,COC(=O)C(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,KQZYESBQSINDHA-UHFFFAOYSA-N
rxn:4:187626:224254,CCOc1ccc(-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,LJJXVEAXBTYORR-UHFFFAOYSA-N
rxn:4:187664:224269,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,HIOINPUQUHJWOP-UHFFFAOYSA-N
rxn:4:187664:224273,Cc1cc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,NOLPOFMHPQNWGX-UHFFFAOYSA-N
rxn:4:187668:223507,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,INILQWBLQYNIBQ-UHFFFAOYSA-N
rxn:4:187673:224720,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)c1,BKMNMPUTZWGBFO-UHFFFAOYSA-N
rxn:4:187676:223787,CN1CCN(CCCOc2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2F)CC1,MYWYVCRUFMCSDX-UHFFFAOYSA-N
rxn:4:187822:224280,CC(C)(C)OC(=O)CN1Cc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc2C1=O,IGCVMZJWDLLPBH-UHFFFAOYSA-N
rxn:4:187862:225105,CCN(CC)C(=O)c1ccc(-c2ccccc2CCC(=O)N2C3C=CCC2CC3)cc1F,PAODGVWNWYAIRT-UHFFFAOYSA-N
rxn:4:187945:223894,COC(=O)C1=Cc2cc(-c3cccc(OCCCN4CCN(C)CC4)c3)ccc2N(CC(C)C)CCC1,OKXDAZVUHZJAKW-UHFFFAOYSA-N
rxn:4:187995:227755,CCc1cc(-c2cc(C(F)(F)F)ccc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,VHQXSNRKEPHZEW-UHFFFAOYSA-N
rxn:4:187995:229155,CCc1cc(-c2cn(C3CC3)nn2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,NIOWIKIWZSYHTR-UHFFFAOYSA-N
rxn:4:188431:223695,COC(=O)c1cc([N+](=O)[O-])ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,RGTFJRQQMWLIDS-UHFFFAOYSA-N
rxn:4:189765:223491,CN(C(=O)c1c(F)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1F)c1ccccc1F,LNIBAZUFJRBQSX-UHFFFAOYSA-N
rxn:4:189778:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(Cl)c(CCN4CCCC4)c3)c2Cl)CC1,KWJYRWDZLUNISH-UHFFFAOYSA-N
rxn:4:189847:224616,CC(=O)N(c1ccc(-c2ccccc2OCCN2CCOCC2)cc1)C1C=CS(=O)(=O)C1,NVNBZWDPHZGZLX-UHFFFAOYSA-N
rxn:4:189866:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c1,XPOMINFIEWQMPV-UHFFFAOYSA-N
rxn:4:189922:224018,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,QGPKJAUFFDWCQC-UHFFFAOYSA-N
rxn:4:189926:222538,O=S(=O)(Cc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1)N1CCOCC1,CKBFGQMPLGBJMK-UHFFFAOYSA-N
rxn:4:190005:222426,CN(C(=O)c1cccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1F)C1CCCC1,DIFSVKSWSKDGCU-UHFFFAOYSA-N
rxn:4:190099:223834,Cc1cc(-c2ccc(F)c(CCN3CCCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OWAJSMNWSANZIM-UHFFFAOYSA-N
rxn:4:190136:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCN(CC(F)(F)F)CC4)cc3)cc2)CC1,AKYHCUSTLOKXQQ-UHFFFAOYSA-N
rxn:4:190140:224322,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,GSVLSCZUYWJNDH-UHFFFAOYSA-N
rxn:4:190155:224761,COc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCC(=O)CC1,AEBJHKZYELQSDQ-UHFFFAOYSA-N
rxn:4:190221:223577,COc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1CN1CCC(F)(F)CC1,XEOIQGSJUKKVII-UHFFFAOYSA-N
rxn:4:190237:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(-c3ccc(C(=S)N4CCOCC4)o3)cc2)CC1,ULGYEYVWHYERDT-UHFFFAOYSA-N
rxn:4:190238:224590,COC1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(C)CC4)cc3F)c(F)cc2F)CC1,FBANSAKSIWOYHZ-UHFFFAOYSA-N
rxn:4:190264:224588,CC1CCN(Cc2cc(F)cc(-c3cc(CC(=O)N4CCC(C)CC4)ccc3Cl)c2)CC1,LBYYDQWEMMSWNR-UHFFFAOYSA-N
rxn:4:190330:224397,CC(C)S(=O)(=O)N1CCCC1c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,TZIJTPFZSHIRSH-UHFFFAOYSA-N
rxn:4:190376:225295,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCCC1,LIHWKHAVQPJJLG-UHFFFAOYSA-N
rxn:4:190378:223867,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cccc(OCCCN2CCC(C)CC2)c1,YPXHFPAGAJOCQI-UHFFFAOYSA-N
rxn:4:190381:222538,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)C1,SZPXGOLBTBWSJK-UHFFFAOYSA-N
rxn:4:190408:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])cn2)CC1,KTYVUORYHJNSNJ-UHFFFAOYSA-N
rxn:4:190445:223894,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1cccc(OCCCN2CCN(C)CC2)c1,YHRHWKUUGXCGQY-UHFFFAOYSA-N
rxn:4:190492:224397,C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1F,WDHKEBFSNCANNC-TYKNXJODSA-N
rxn:4:190833:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cc2)CC1,HWTKVXHXDYMTHF-UHFFFAOYSA-N
rxn:4:190933:223530,CC1c2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)N1C(=O)OC(C)(C)C,GZCSPLXEDYLVDA-UHFFFAOYSA-N
rxn:4:190991:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)SCCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,CTZFRGYFIJAZJX-UHFFFAOYSA-N
rxn:4:191063:222947,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4cnc(N5CCCC(O)C5)nc4Cl)cc3O2)C1,HMNUALSHYZOQOT-UHFFFAOYSA-N
rxn:4:191063:225338,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(F)c(COCC(F)(F)F)c4)cc3O2)C1,ZTTXJKQMKVSWAB-UHFFFAOYSA-N
rxn:4:191104:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)cc2F)CC1,YIJQBNYBVLIHEU-UHFFFAOYSA-N
rxn:4:191104:224120,Cc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)ccc1CO[Si](C)(C)C(C)(C)C,CZKONBKXXHMJDS-UHFFFAOYSA-N
rxn:4:191117:223939,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c12,CPCIEDQVXJHPEY-UHFFFAOYSA-N
rxn:4:191120:223520,CC(c1ccc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JCQCWKBISFOUCW-UHFFFAOYSA-N
rxn:4:191120:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)CC1,ZXCABQLEUQHIHC-UHFFFAOYSA-N
rxn:4:191120:223776,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc1C2=O,PTOOHEOIELBTJW-UHFFFAOYSA-N
rxn:4:191123:222947,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cnc(N5CCCC(O)C5)nc4Cl)c32)CC1,BZYYJDXCNGJLBH-UHFFFAOYSA-N
rxn:4:191123:223884,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c32)CC1,QAACNRUDMOPIBP-UHFFFAOYSA-N
rxn:4:191123:225876,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cc(Cl)ccc4N4CCOCC4)c32)CC1,BOEHUMHOQJQUJS-UHFFFAOYSA-N
rxn:4:191127:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c(Cl)c1,RGOAASIYNHAMTA-UHFFFAOYSA-N
rxn:4:191127:226511,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cc(Cl)cnc3OCC3CC3)cc1O2,UXDGORPFVRWOEU-UHFFFAOYSA-N
rxn:4:191129:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(c1)CCC1(CCN(C(=O)OC(C)(C)C)CC1)O2,ADAFPPMRGWUKOG-UHFFFAOYSA-N
rxn:4:192709:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(CN4CCC4)ccc3Cl)c2Cl)CC1,OFIVPVKIQVWIRQ-UHFFFAOYSA-N
rxn:4:192761:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,NCCXBVTVGVPAFF-UHFFFAOYSA-N
rxn:4:193383:223508,O=S(=O)(c1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(F)c1)N1CCOCC1,SEVWZCWXUNVTOD-UHFFFAOYSA-N
rxn:4:193391:224406,O=S(=O)(c1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)ccc1F)N1CCOCC1,DLNVPZMLPXGYBV-UHFFFAOYSA-N
rxn:4:193461:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1Cl)N1CCCCC1,OPKZNJLAVSJZMX-UHFFFAOYSA-N
rxn:4:193603:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3F)cc2C)CC1,BSINQNVSAWJVOF-UHFFFAOYSA-N
rxn:4:193626:224760,CC(C)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)SC1=S,IEWUIYXEJATVFA-UHFFFAOYSA-N
rxn:4:193685:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,KYIPWOCDHDUIQM-UHFFFAOYSA-N
rxn:4:193877:222466,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,SXAOWKJVTICBNY-UHFFFAOYSA-N
rxn:4:193888:222950,CONS(=O)(=O)c1cc(-c2cc(C)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccc1OC,CTAYMYDJVGPYLI-UHFFFAOYSA-N
rxn:4:193908:222631,Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,MMWJLXCOWAIBPO-UHFFFAOYSA-N
rxn:4:193965:223671,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(S(=O)(=O)N2CCCC(C)C2)c1,UOJOZMVVRKGIFX-UHFFFAOYSA-N
rxn:4:193973:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,JAHVTNCYZXDQJZ-UHFFFAOYSA-N
rxn:4:193986:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C(=O)N2CCC3(CC2)OCCCO3)c1,ATRSFCFKNJTDDN-UHFFFAOYSA-N
rxn:4:194113:223505,COC(=O)c1c[nH]c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc12,KVZWHFWPAVNQPN-UHFFFAOYSA-N
rxn:4:194592:224830,O=S(=O)(c1ccccc1-c1cc(C(F)(F)F)nn1C1CCCCO1)N1C2C=CCC1CC2,LLHJVMXEZONELC-UHFFFAOYSA-N
rxn:4:194601:223985,COc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC4)cc3c2)cc1S(=O)(=O)N1CCCCC1,BPAVERUKXVUSQE-UHFFFAOYSA-N
rxn:4:194741:222630,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1cc(C3CCC3)nc(C3CCNCC3)c1)C2,DEKZODNLBUJVGM-UHFFFAOYSA-N
rxn:4:194810:224964,COC(=O)C1=C2CCCN2c2cc(-c3ccc(COC4CCOCC4)cc3)ccc2S1(=O)=O,BGYCHMYTFJQACI-UHFFFAOYSA-N
rxn:4:194810:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCC1=C(C(=O)OC)S2(=O)=O,CGMYSUVITYHGAH-UHFFFAOYSA-N
rxn:4:194819:223534,CC(C)Cn1c2c(c3cc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)ccc31)CCCC2,KLRJNDORBBDNNW-UHFFFAOYSA-N
rxn:4:196486:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc(C2CCOCC2)cs1,SYUDHKYYJPFWLV-UHFFFAOYSA-N
rxn:4:196635:223753,Cc1ccc(N2C(=O)C=CC2=O)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,HMGFKIGTCLVFDW-UHFFFAOYSA-N
rxn:4:196933:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(N4CCC(=O)CC4)c3)c(Cl)c2)CC1,OSUDOKPRWGXZMU-UHFFFAOYSA-N
rxn:4:196933:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(N4CCC(=O)CC4)c3)c2)CC1,WQVCZQGXTFSPCO-UHFFFAOYSA-N
rxn:4:196999:223687,Cc1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cccc1N1CCOCC1=O,NUTDSGVGHZOKAU-UHFFFAOYSA-N
rxn:4:197000:223823,Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCOCC1=O,ZBBMAOJTAHCZDM-UHFFFAOYSA-N
rxn:4:199145:223696,CN1C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc2S1(=O)=O,MEFFNJRORUZGMA-UHFFFAOYSA-N
rxn:4:199486:222948,CCOC(=O)Cn1nc(C(F)F)c(-c2cnc(N3CCC(O)CC3)nc2Cl)c1C1CC1,XQMMVSSQOUDTBW-UHFFFAOYSA-N
rxn:4:199557:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,YUBQYIRHRDQHLF-UHFFFAOYSA-N
rxn:4:199570:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(OC[C@H]4CCN4C(=O)OC(C)(C)C)c3)cc2)CC1,PNYZMNNFFVHPMB-XMMPIXPASA-N
rxn:4:199622:222699,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cc2)CC1,STNOKALKJPDLFJ-UHFFFAOYSA-N
rxn:4:199622:225623,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cccc(OC4CCOCC4)c3)cc2)CC1,FRHXJJLHEUFQAV-UHFFFAOYSA-N
rxn:4:199622:226371,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)cc3C)cc2)CC1,LYYDDBRDNPJOSY-UHFFFAOYSA-N
rxn:4:199624:223993,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,XWDMTVAMTROOON-UHFFFAOYSA-N
rxn:4:199645:224290,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)n1,BTXPPYDUFLUYOC-UHFFFAOYSA-N
rxn:4:199709:223592,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)n2)CC1,PRKWVEGTHJEJDV-UHFFFAOYSA-N
rxn:4:199712:222851,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(CC)nc(C2CCNCC2)c1,WUXHYXMCGCYICX-UHFFFAOYSA-N
rxn:4:199714:224270,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cn2)CC1,OCPNOQVJJCAFEJ-UHFFFAOYSA-N
rxn:4:199719:222517,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2ccc(F)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1,GWVFJSBWSOCION-UHFFFAOYSA-N
rxn:4:199719:223775,COc1ccc2c(c1)c(-c1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1)cn2C(=O)OC(C)(C)C,TVWODDQEZAKVKG-UHFFFAOYSA-N
rxn:4:199743:223888,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)CC1,UELLEASREQQMFC-UHFFFAOYSA-N
rxn:4:199760:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3N3CCN(C(=O)OCC[Si](C)(C)C)CC3)cc2F)CC1,IJSSNXPLOUUHSQ-UHFFFAOYSA-N
rxn:4:199764:225210,COC(=O)c1cc(-c2cnc(N3CCC(C)CC3)nc2C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XGBZCZZRGFEYBQ-UHFFFAOYSA-N
rxn:4:199769:225361,COc1cc(Cl)c(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QFBVROPZCIAJNO-UHFFFAOYSA-N
rxn:4:199770:223867,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(OCCCN2CCC(C)CC2)c1,AGJBOICJGPLLGJ-UHFFFAOYSA-N
rxn:4:199784:223493,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,SNDBRWXOSIKCIU-UHFFFAOYSA-N
rxn:4:199784:223500,COc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HJFWYOBXDRRPOF-UHFFFAOYSA-N
rxn:4:199785:223818,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c(F)cc(F)c2c1ccn2C(=O)OC(C)(C)C,MOZDUDZMXMNOCY-UHFFFAOYSA-N
rxn:4:199790:224162,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2,LVNCSTFDLLXJNX-UHFFFAOYSA-N
rxn:4:199791:223687,COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JVTCACCQEZSDIJ-UHFFFAOYSA-N
rxn:4:199809:222791,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c1,QYDSRLOBDLMSJQ-UHFFFAOYSA-N
rxn:4:199811:223505,CC1CN(C(=O)Cc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCN1C(=O)OC(C)(C)C,PDNSEBXXDWNVON-UHFFFAOYSA-N
rxn:4:199813:222947,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cnc(N2CCCC(O)C2)nc1Cl,YUDLNLISJOOLNI-UHFFFAOYSA-N
rxn:4:199813:226857,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cc(OC(F)(F)F)ccc1F,FRFUBOXDKIWQOY-UHFFFAOYSA-N
rxn:4:199827:223499,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,JOGDKHSGCLGNHT-UHFFFAOYSA-N
rxn:4:199827:223937,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cc1,ZFPQTFKXHVIREI-UHFFFAOYSA-N
rxn:4:199827:226502,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccn(C(=O)OC(C)(C)C)c2)cc1,JVVPGCNFLJZPSV-UHFFFAOYSA-N
rxn:4:199829:223520,CC(c1ccc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,IRVVFWVCTLCZES-UHFFFAOYSA-N
rxn:4:199829:223668,CC1CN(CCc2cc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)ccc2Cl)CCN1C(=O)OC(C)(C)C,YECYENHMWNQLTH-UHFFFAOYSA-N
rxn:4:199831:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(F)c(CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1,YWIONJHEYSYUTB-OAQYLSRUSA-N
rxn:4:199835:223761,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c1,SWPYMBMQTDGRSR-UHFFFAOYSA-N
rxn:4:199846:223062,CCOc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,HXFLWOLIWUDLHI-UHFFFAOYSA-N
rxn:4:199860:222741,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,VWTCOOCXYXPQPT-UHFFFAOYSA-N
rxn:4:199860:224377,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,HCHRIFDMXKDOTR-UHFFFAOYSA-N
rxn:4:200366:223588,Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C#N)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KQGMGBZGVFRPHI-UHFFFAOYSA-N
rxn:4:200368:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1C#N,DRBNAQSGFVMARD-UHFFFAOYSA-N
rxn:4:200370:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,SLOSVLZZOUPBST-UHFFFAOYSA-N
rxn:4:200371:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,UXQDWHCVPJRJBA-UHFFFAOYSA-N
rxn:4:200467:222817,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)NC4CC4)ccc3OC)cc2F)CC1,GRNJTHGQUKZYAO-UHFFFAOYSA-N
rxn:4:200473:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)ccc2Cl)CC1,ZPRVAUOTWWHWRX-OAQYLSRUSA-N
rxn:4:200473:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,UPPMNXCSDCUUCU-JOCHJYFZSA-N
rxn:4:200477:223777,COc1ncc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1C1CN(C(=O)OC(C)(C)C)C1,FSLGZRJAIRKUDW-UHFFFAOYSA-N
rxn:4:200481:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccnc3O[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,YGDYWQAMWBTTQM-QFIPXVFZSA-N
rxn:4:200557:224753,CCCCN1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2)CC1,ZQFRFSDZZLCCKH-UHFFFAOYSA-N
rxn:4:200559:223648,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)co2)CC1,LHKOJJZBZHYICO-UHFFFAOYSA-N
rxn:4:200559:223929,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)co2)CC1,BPNOMEMQWNTTOA-UHFFFAOYSA-N
rxn:4:200560:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccoc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,ANBYAWJERIDZFY-UHFFFAOYSA-N
rxn:4:200567:222700,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c(C)c2)CC1,JTNLRSKMPXDYEV-UHFFFAOYSA-N
rxn:4:200567:223831,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)c(C)c2)CC1,ZRXDBRAHQRXIRF-UHFFFAOYSA-N
rxn:4:200604:224160,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)C1,RIVLWAYHVMVDTR-JOCHJYFZSA-N
rxn:4:200605:223528,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QNWWDLRMFOGHGC-UHFFFAOYSA-N
rxn:4:200610:223937,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc2F)CC1,FWDHGIWDCINZNP-UHFFFAOYSA-N
rxn:4:200615:228967,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1cn(C)nc1C(F)F,LAPYMYDIFOOWPX-UHFFFAOYSA-N
rxn:4:200643:223790,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)nc2)CC1,OMTKUQUNQNGYTJ-UHFFFAOYSA-N
rxn:4:200648:225297,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c2)CC1,NYNIDFCEIWJYRJ-UHFFFAOYSA-N
rxn:4:200649:222948,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2cnc(N3CCC(O)CC3)nc2Cl)CC1,HNLRELVYHHYYPJ-UHFFFAOYSA-N
rxn:4:200649:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,OGOSFDNCRNPEEX-UHFFFAOYSA-N
rxn:4:200650:226138,Cc1cc(C#N)cc(C2CC2)c1-c1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JOCUGPXMHMSBST-UHFFFAOYSA-N
rxn:4:200652:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c1,WAKQYKQVMGSUHQ-UHFFFAOYSA-N
rxn:4:200654:223790,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)C1,LTAHGACQEDBWMO-UHFFFAOYSA-N
rxn:4:200655:223532,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C#N)CC1,UXDPJBKNOIUZFL-UHFFFAOYSA-N
rxn:4:200659:224963,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(COC4CCOCC4)c3)c(F)c2)CC1,OFJVAJOBNAVHRS-UHFFFAOYSA-N
rxn:4:200662:225159,O=C(CCc1ccccc1-c1cccc(C(=O)N2CCOCC2)c1)N1CCC(N2C(=O)CSC2=O)CC1,QWJUEWWHGOGDFJ-UHFFFAOYSA-N
rxn:4:200662:227804,O=C(CCc1ccccc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-])N1CCC(N2C(=O)CSC2=O)CC1,ZKXJYTJMFAOWKW-UHFFFAOYSA-N
rxn:4:200666:224820,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)N(C(=O)N1CCCCC1)c1ccccc1,MFWPBNBFNUAMFI-UHFFFAOYSA-N
rxn:4:200671:228071,O=C(CCc1ccccc1-c1cccc2c1OCCO2)N1CCC(N2C(=O)COC2=O)CC1,NRHMTDZNKRRBKC-UHFFFAOYSA-N
rxn:4:200700:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(Cl)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)cn2)CC1,RXMXUALNAQJNSD-UHFFFAOYSA-N
rxn:4:200706:225947,CN1CCN(c2ncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,DFXLHAUECBJIPW-UHFFFAOYSA-N
rxn:4:200708:223106,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)c(F)c2)CC1,DNLSNKJDNKWWDV-UHFFFAOYSA-N
rxn:4:200708:224120,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1CO[Si](C)(C)C(C)(C)C,NYRIXWRFSSGDEZ-UHFFFAOYSA-N
rxn:4:200708:225899,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)n(C(=O)OC(C)(C)C)n1,UTJHQZFMIARMQE-UHFFFAOYSA-N
rxn:4:200711:226538,CCOC(=O)c1cc(Cl)ccc1-c1cccc(F)c1CN1CCN(C(=O)OC(C)(C)C)CC1,GIAKQNMMLSAPSO-UHFFFAOYSA-N
rxn:4:200712:223932,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,GSIUWPKBQDZGIF-UHFFFAOYSA-N
rxn:4:200713:224393,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)c2F)CC1,KKPIOFLSHLSCCH-UHFFFAOYSA-N
rxn:4:200721:224720,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)CC1,QCNYXFDLXUUTMW-UHFFFAOYSA-N
rxn:4:200730:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)c2)CC1,UMJNDOAFJVUTBE-UHFFFAOYSA-N
rxn:4:200730:223790,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2C(F)(F)F)CC1,QQFGWNKVLFUSOF-UHFFFAOYSA-N
rxn:4:200730:223888,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2C(F)(F)F)CC1,UIPONGKHBJFBAX-UHFFFAOYSA-N
rxn:4:200733:223228,CCC(=O)Nc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1,WTPRSDACOWTZRU-UHFFFAOYSA-N
rxn:4:200733:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)c2)CC1,IFDRKROXWAAZFK-UHFFFAOYSA-N
rxn:4:200733:224963,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(COC4CCOCC4)c3)cc2C(F)(F)F)CC1,WHKJGGTUPWMUDU-UHFFFAOYSA-N
rxn:4:200734:225975,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)c(F)c2)CC1,BVEQZMXWRCCHCF-UHFFFAOYSA-N
rxn:4:200736:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,QEEQHZIJODWEPU-UHFFFAOYSA-N
rxn:4:200763:222395,COc1ncc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,RUKXOPNCRNYPPD-UHFFFAOYSA-N
rxn:4:200772:223867,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3cccc(OCCCN4CCC(C)CC4)c3)cc2F)CC1,YYRFBMJUCIJTRQ-UHFFFAOYSA-N
rxn:4:200772:224247,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cc2F)CC1,YNZJIEULQLRMBZ-UHFFFAOYSA-N
rxn:4:200783:224161,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,JXHCHUAYQIBFCR-UHFFFAOYSA-N
rxn:4:200791:222426,C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)CCN1C(=O)OC(C)(C)C,HIMVZJZMPLUOSZ-NRFANRHFSA-N
rxn:4:200797:223540,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,FPNNXGXJXWLKSO-UHFFFAOYSA-N
rxn:4:200802:225271,CCOc1ccc(-c2cc(OC)c(OC)cc2C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,IMGCLBRGTZBNFF-UHFFFAOYSA-N
rxn:4:200813:223225,CCNC(=O)c1ccccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,HBQUPOKIBOBUEA-UHFFFAOYSA-N
rxn:4:200813:224160,CC(c1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,UDNFOGNVZUCYMK-UHFFFAOYSA-N
rxn:4:200817:222584,CC(c1ccccc1-c1ccc(OCCCN2CCNCC2)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,QWTAHAWDSJMSQL-UHFFFAOYSA-N
rxn:4:200818:223818,C[C@H]1CN(Cc2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c(Cl)c2)CCN1C(=O)OC(C)(C)C,IFLPJJCKQFLYST-SFHVURJKSA-N
rxn:4:200818:224962,C[C@H]1CN(Cc2ccc(-c3ccccc3COC3CCOCC3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,MMUWJSNZPMBTKZ-NRFANRHFSA-N
rxn:4:200821:223578,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2)CC1,JVFGOXBCLIIIRE-UHFFFAOYSA-N
rxn:4:200826:224284,COc1ccc(COc2ncc(-c3cc(C)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)cc1,LKVRMRDGVKVEGW-UHFFFAOYSA-N
rxn:4:200839:223937,COc1c(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,HNGBSFXQSSFPPP-UHFFFAOYSA-N
rxn:4:200839:225294,CCN1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3OC)cn2)CC1,XPBFUDIEBYLSNC-UHFFFAOYSA-N
rxn:4:200857:223588,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,PNSRVTBRSWNBQA-XMMPIXPASA-N
rxn:4:200857:223646,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1,FJYKIOCDWVWDQS-BRIWLPCBSA-N
rxn:4:200882:223169,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cnc(C4CCNCC4)nc3)c1)C2,UZAQBQJRGCYMBT-UHFFFAOYSA-N
rxn:4:200892:225320,CCOc1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,VSEPULLOJQZULO-UHFFFAOYSA-N
rxn:4:200895:223480,Cc1cc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JSWAFPCQDXLWCZ-UHFFFAOYSA-N
rxn:4:200897:222960,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(C)cc(C2CCNCC2)c1,WWZKOPXLWMEYBN-UHFFFAOYSA-N
rxn:4:201109:223937,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cc32)C1,MPFRPTODYSVCLG-UHFFFAOYSA-N
rxn:4:201109:225092,CCCCOc1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)C2)C(=O)CO3)cc(Cl)c1OC,DSVDIDKRAZATAT-UHFFFAOYSA-N
rxn:4:201150:223635,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3C2)CC1,CRZBCLKZIVSASK-UHFFFAOYSA-N
rxn:4:201150:223932,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)ccc3C2)CC1,KHODOJYMDNMWES-UHFFFAOYSA-N
rxn:4:201220:223696,COC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cnn1CCF,SEKYWZQERUHNJP-UHFFFAOYSA-N
rxn:4:201237:223606,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)nn1CC(F)(F)F,VXEGAOQDPDQFOG-UHFFFAOYSA-N
rxn:4:201563:223980,CCOC(=O)c1cn(C(C)(C)C)nc1-c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1,WBBATTHCEKKJOM-UHFFFAOYSA-N
rxn:4:201765:225774,CC(C)OC(=O)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1F,WZLAXVSYSGHSAX-UHFFFAOYSA-N
rxn:4:201765:225873,O=C(c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,ITSMKNYZLUAUTH-UHFFFAOYSA-N
rxn:4:201774:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)cs3)ccc21,HPKIIFGGVSRLSD-IBGZPJMESA-N
rxn:4:201897:226000,CC(=O)Oc1ccc(-c2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cc1[N+](=O)[O-],LFCXEYXCQXAFMI-UHFFFAOYSA-N
rxn:4:201927:223935,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cs2)CC1,IDELQTVPGKKFSQ-UHFFFAOYSA-N
rxn:4:201928:223790,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)C1,WOSUPJSSONQNRE-UHFFFAOYSA-N
rxn:4:201958:224290,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)c(F)n2)C1,OCDMNMOQBCHREY-UHFFFAOYSA-N
rxn:4:201975:224759,O=C(c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1)N1CCOCC1,LTYFCHLBDOOQAZ-UHFFFAOYSA-N
rxn:4:201989:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,JWZDJDIBGPWJNE-UHFFFAOYSA-N
rxn:4:201995:224279,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccn2)C1,AMQNLDWXGDLBKN-UHFFFAOYSA-N
rxn:4:202001:222947,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cnc(N3CCCC(O)C3)nc2Cl)c1,KUCQFRSGBYDRNC-UHFFFAOYSA-N
rxn:4:202002:223753,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)ccc2OC)CC1,PAWAJMRDZOATIY-UHFFFAOYSA-N
rxn:4:202002:224886,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(C)CC4)cc3)ccc2OC)CC1,GPPPEUJXUZQJKS-UHFFFAOYSA-N
rxn:4:202007:222957,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)cc(C2CCCNC2)c1,LFDHIWORLCJLBW-UHFFFAOYSA-N
rxn:4:202011:226021,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cn2)C1,SLIMOKSRFSVLNS-UHFFFAOYSA-N
rxn:4:202015:222630,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cnc1N1CCOCC1,VGFJNVMPLBRXKC-UHFFFAOYSA-N
rxn:4:202020:225394,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cc(C3CCC3)cc(C3CC3)c2)C1,BNYQZEIYUZDULL-UHFFFAOYSA-N
rxn:4:202081:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ccncc5)C4)cc3)c2)CC1,KKUDLDCVYSQERH-UHFFFAOYSA-N
rxn:4:202086:222722,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)C2)ccc1F,NICRMRKSUKPIMT-UHFFFAOYSA-N
rxn:4:202095:227611,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnn1C1CCCCO1,WPXWTGSMKAAMGJ-UHFFFAOYSA-N
rxn:4:202098:223670,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,JSVUPPJQPPQDBV-UHFFFAOYSA-N
rxn:4:202101:224624,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)cs1,ZSAYJANSFLVENG-UHFFFAOYSA-N
rxn:4:202104:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,KWDREBGWEKYXFI-UHFFFAOYSA-N
rxn:4:202106:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)c2)CC1,JNOJUGZMNJCKLY-UHFFFAOYSA-N
rxn:4:202106:223818,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)C1,KPOZGKLIULWWLI-UHFFFAOYSA-N
rxn:4:202107:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,ZNNMSBPRFRKKPD-UHFFFAOYSA-N
rxn:4:202126:222948,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(O)CC2)nc1Cl,ZOBIEMDUMIGCOX-UHFFFAOYSA-N
rxn:4:202130:223520,CC(c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FXPSTYWEFDZIGK-UHFFFAOYSA-N
rxn:4:202131:225531,CCN(CC)Cc1cc(F)ccc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CEDITIWAACEVCU-UHFFFAOYSA-N
rxn:4:202133:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,WZALZOPPSBBROJ-UHFFFAOYSA-N
rxn:4:202146:222948,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)c(F)c2F)CC1,LZCLXWXJDMUVMG-UHFFFAOYSA-N
rxn:4:202146:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3F)c2)CC1,LDWDZTLWXUSALA-UHFFFAOYSA-N
rxn:4:202146:223939,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(F)c2F)CC1,HLDIZAGIEHQTEB-UHFFFAOYSA-N
rxn:4:202146:225665,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3N3CCCCC3)c(F)c2F)CC1,HXWPUJXDCGIEBT-UHFFFAOYSA-N
rxn:4:202161:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,VTHZYCBGWSFJLS-UHFFFAOYSA-N
rxn:4:202163:223636,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,ACYZNZFSKNJUQR-UHFFFAOYSA-N
rxn:4:202170:223061,O=C(C1CN(Cc2ccccc2-c2cc(C3CCNCC3)ncc2F)CCO1)N1CCCC1,KTOFDVMMYIBRNU-UHFFFAOYSA-N
rxn:4:202184:224691,O=C(c1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c(C(F)(F)F)c2)cc1)N1CC2(COC2)C1,SEHWVAMGZHHASD-UHFFFAOYSA-N
rxn:4:202209:224323,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1,ZHZBLVCDUBFFCI-UHFFFAOYSA-N
rxn:4:202212:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)cc2C)CC1,BBLUHWIAGBVMHW-UHFFFAOYSA-N
rxn:4:202225:223776,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)n1,QUBVUJZNFLSLIX-UHFFFAOYSA-N
rxn:4:202234:223588,Cc1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KERMAXLPGBZAFP-UHFFFAOYSA-N
rxn:4:202237:223562,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,WHMVYOYAYDDZIY-UHFFFAOYSA-N
rxn:4:202266:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCCC5)C4)cc3)cc2)CC1,YGHNJJRWNQBJQX-UHFFFAOYSA-N
rxn:4:202267:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCOC(C(=O)N5CCCCC5)C4)c3)cc2)CC1,QEAAFTSHZFBOFZ-UHFFFAOYSA-N
rxn:4:202277:223578,FC(F)(F)C1CCN(Cc2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2N2CCCC2)CC1,RIGQQDQBNQCSKA-UHFFFAOYSA-N
rxn:4:202285:223586,COc1ccc(COc2cc(-c3ccc(CN4CCC(OC)CC4)c(N4CCCC4)c3)cc(C(F)(F)F)c2)cc1,NHZBVLSLVNIBTI-UHFFFAOYSA-N
rxn:4:202298:225210,COc1cc(C)c(-c2cnc(N3CCC(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,YPKHOUROQZTOCW-UHFFFAOYSA-N
rxn:4:202306:222867,CCN1CCN(Cc2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,BMUZFDLVQBOBOT-UHFFFAOYSA-N
rxn:4:202306:223635,CCN1CCN(Cc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc(C(C)(C)C)c2)CC1,VABSGEKMYYMNAK-UHFFFAOYSA-N
rxn:4:202306:223661,CCN1CCN(Cc2cc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)cc(C(C)(C)C)c2)CC1,PVZHMIWWYJDUNX-UHFFFAOYSA-N
rxn:4:202306:223754,CCN1CCN(Cc2cc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)cc(C(C)(C)C)c2)CC1,MXXIRZXYEKTCRZ-UHFFFAOYSA-N
rxn:4:202306:223895,CCN1CCN(CCOc2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,KFEOOGAQGBWVFU-UHFFFAOYSA-N
rxn:4:202306:224022,CCN1CCN(Cc2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc(C(C)(C)C)c2)CC1,FAGIZBOWWWMMIV-UHFFFAOYSA-N
rxn:4:202306:224853,CCN1CCN(Cc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc(C(C)(C)C)c2)CC1,KECYOOBOZCGFDO-UHFFFAOYSA-N
rxn:4:202306:225451,CCN1CCN(Cc2cc(-c3ccc(SC4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,OVDSTXXFUKXQTP-UHFFFAOYSA-N
rxn:4:202306:225470,CCN1CCN(Cc2cc(-c3ccc(N4CCC(C)CC4)cc3)cc(C(C)(C)C)c2)CC1,PKSZZPBDCVFNND-UHFFFAOYSA-N
rxn:4:202306:225617,CCN1CCN(Cc2cc(-c3ccc(OC4CCCCO4)cc3)cc(C(C)(C)C)c2)CC1,FKXNLTNWYNHIDQ-UHFFFAOYSA-N
rxn:4:202311:223586,COc1ccc(COc2cc(-c3ccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)cc3)cc(C(F)(F)F)c2)cc1,KMFORXJSKRWHNC-UHFFFAOYSA-N
rxn:4:202312:228653,O=C(C1CCN(Cc2cccc(-c3cnn4c3CCCC4)c2)CC1)N1CCC(F)(F)CC1,BOXKOHZUYOUTTN-UHFFFAOYSA-N
rxn:4:202316:223999,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2c2ccccc2)cc1,KOAGTYKAMBJGDI-UHFFFAOYSA-N
rxn:4:202320:226916,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(C4=CCCC4)c3)c2)CC1,GFHAVKWUCZOQCB-UHFFFAOYSA-N
rxn:4:202320:226918,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(C4=CCCC4)cc3)c2)CC1,CGMBSFFPDQTYAO-UHFFFAOYSA-N
rxn:4:202331:222967,COc1ccc(-c2cccc(C(=O)NCC(C)C)c2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,LZOMOXLGMCOYAG-UHFFFAOYSA-N
rxn:4:202412:223540,CCOC(=O)Cc1nc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)n2c1COCC2,OABJTLHGNYAUTR-UHFFFAOYSA-N
rxn:4:202540:223699,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cccc2c1N1CCOCC1,AVKQHHJLWSHPAS-UHFFFAOYSA-N
rxn:4:202564:228214,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cnc(C5CC5)cc4F)cc3C2=O)C1,SYOAJAPSSXQCKV-UHFFFAOYSA-N
rxn:4:202592:225361,CC(C)(C)[Si](C)(C)OCc1nn2c(c1-c1cn(C3CCCC3)nc1C(F)(F)F)CCC2,QWMVMKDCQMMVSO-UHFFFAOYSA-N
rxn:4:202606:228894,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccccc1[N+](=O)[O-],HYYQIEWGIZULGW-UHFFFAOYSA-N
rxn:4:202656:224161,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cc23)CC1,IUJMULLAQUJXKO-UHFFFAOYSA-N
rxn:4:202684:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CCN(C1CN(C(=O)OC(C)(C)C)C1)C2,FRPWIROJYPPNPB-UHFFFAOYSA-N
rxn:4:202697:223106,COc1ccc(N2C(=NC(=O)c3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc3)SC3CS(=O)(=O)CC32)cc1,ZXFYRTRLWZJYRI-UHFFFAOYSA-N
rxn:4:202712:223357,CC(=O)Nc1ccccc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,DJESMGSNFFRRQB-FQEVSTJZSA-N
rxn:4:202714:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)ccc2F)CC1,OKZACUQKMSURGO-UHFFFAOYSA-N
rxn:4:202754:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(c3)CCCN4C3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,DCTYOSDHHYWVRV-UHFFFAOYSA-N
rxn:4:202755:223652,COc1ccc(Cl)c2cc(-c3ccc4c(c3)CN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)CO4)n(C(=O)OC(C)(C)C)c12,DHXBWRWEPBFGJT-UHFFFAOYSA-N
rxn:4:202825:223539,COC(=O)Cc1nsc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,VSYJPSDXEHGYPX-UHFFFAOYSA-N
rxn:4:202838:223482,CCCSc1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)s1,XTPNHFZHAXQBEA-UHFFFAOYSA-N
rxn:4:202883:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)nn1C(F)F,WRMLIAMRYCPBHY-UHFFFAOYSA-N
rxn:4:202939:223481,CCOC(=O)c1ncncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,NBSAEAWVQZQIHH-UHFFFAOYSA-N
rxn:4:202978:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(C=C[CH+]C(=O)[O-])nc3)cc21,JVMSFHAOADHURC-UHFFFAOYSA-N
rxn:4:203153:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cn(C(=O)OC(C)(C)C)cn2)CC1,BJMZMLPCAOFKGE-UHFFFAOYSA-N
rxn:4:203153:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cn(C(=O)OC(C)(C)C)cn1,QEUOUVAHRMGALW-UHFFFAOYSA-N
rxn:4:203684:222722,COc1c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cncc1S(=O)(=O)N1CCOCC1,XKAHECAILVBJJN-UHFFFAOYSA-N
rxn:4:203696:224199,CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)CC1,PONGLVSCOXMQFL-UHFFFAOYSA-N
rxn:4:203708:224128,CN(C(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1)C1CCCCC1,ZDUAKOVLIPQCAZ-UHFFFAOYSA-N
rxn:4:203708:225988,O=C(c1ccccc1-c1c(F)cc(C2OCCO2)cc1F)N1CC(N2C(=O)COC2=O)C1,ZAZDMAMWOVXUAU-UHFFFAOYSA-N
rxn:4:203709:225571,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(C2CC2)c1,ZVRILRQHPIZBBJ-UHFFFAOYSA-N
rxn:4:203709:226737,N#Cc1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)ccc1C(F)(F)F,WVSXFXPKIOPBDB-UHFFFAOYSA-N
rxn:4:203712:223278,O=S(=O)(c1ccc(-c2cnn(C3CCNCC3)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,OFZYTNPUBHRDSN-UHFFFAOYSA-N
rxn:4:203712:227684,O=S(=O)(c1ccc(-c2cnn(CC3OCCO3)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,XFLKISVDQJUBNZ-UHFFFAOYSA-N
rxn:4:203757:224819,O=S(=O)(c1ccc(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1)N1CCOCC1,HUUOFXZRTYLHCX-UHFFFAOYSA-N
rxn:4:203827:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)c2)CC1,GVDNPUOXLPGPEK-UHFFFAOYSA-N
rxn:4:203833:226792,O=C(c1ccc(-c2cnc(N3CCOCC3)nc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,LWNNPWSUXMGLQH-UHFFFAOYSA-N
rxn:4:203897:223520,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,XBVXOCCHCPYMCK-UHFFFAOYSA-N
rxn:4:203915:224818,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)C1,SOWWBDLLQWUDLO-UHFFFAOYSA-N
rxn:4:203937:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,YELFLTPZDJYMRF-UHFFFAOYSA-N
rxn:4:203938:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)cc3)c2)CC1,RVSMHBGJJLNQCD-UHFFFAOYSA-N
rxn:4:203985:224658,CC(=O)N1CCN(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)cc2)CC1,UGBKXZYEPSFDCK-UHFFFAOYSA-N
rxn:4:203985:226292,CC(C)OC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,OJGPXBNUVZRHHZ-UHFFFAOYSA-N
rxn:4:203985:227055,COc1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1C1CC1,DXLHFCKQNFXXNV-UHFFFAOYSA-N
rxn:4:203986:227197,CN1Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)CSC5=O)CC4)c3)cc2C1=O,HSTFEIBZNIKGKZ-UHFFFAOYSA-N
rxn:4:203987:224751,O=C(c1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)ccc1F)N1CCOCC1,AHXUWMISPWBQGZ-UHFFFAOYSA-N
rxn:4:204059:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1,SARZVGJMOHTICX-UHFFFAOYSA-N
rxn:4:204082:225264,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1C(=O)OC,PVPVPVQANQLQHO-UHFFFAOYSA-N
rxn:4:204082:226563,COC(=O)Cc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1F,BVPCGQBWDPPCRV-UHFFFAOYSA-N
rxn:4:204109:223424,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C=NO)cc2)CC1,COBUWZLUDGPRNB-UHFFFAOYSA-N
rxn:4:204109:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)CC1,BVXHZNGGEFOICG-UHFFFAOYSA-N
rxn:4:204109:225979,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,DMZQOTMEQPXLAS-UHFFFAOYSA-N
rxn:4:204109:227056,COc1cccc(C2CC2)c1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,VTSBLJJJDMOGMO-UHFFFAOYSA-N
rxn:4:204140:224483,CN1CCN(Cc2cc(-c3ccc(OCCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,REENDLTYJDJXIP-UHFFFAOYSA-N
rxn:4:204157:223508,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)CC1,RAMHZEICRQSCMR-UHFFFAOYSA-N
rxn:4:204167:223167,CC1CCCN(Cc2ccc(-c3ccnc(N4CCNCC4)c3)cc2N2CCOCC2)C1,JBQXUBZOJVETDX-UHFFFAOYSA-N
rxn:4:204183:222999,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(Cl)cc(C4CCCNC4)c3)CC2)c(C)c1,BTSKNTKWPBTQSH-UHFFFAOYSA-N
rxn:4:204186:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1c(C)cc(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1C,GYWYCXBRAYVXGR-UHFFFAOYSA-N
rxn:4:204496:225361,CC(C)(C)OC(=O)N1CC(=O)c2sc(-c3cn(C4CCCC4)nc3C(F)(F)F)nc2C1,GZOGBZYYRWWQOY-UHFFFAOYSA-N
rxn:4:204509:223695,CC(C)(C)OC(=O)N1CCc2sc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nc2C1,STLLRIPHXCGVOZ-UHFFFAOYSA-N
rxn:4:204514:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2F)CC1,PRTQWGQTROVYSK-UHFFFAOYSA-N
rxn:4:204556:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,MGIGCDFLBRKKTO-UHFFFAOYSA-N
rxn:4:204603:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)c(Cl)c1,UALWIDJUCZVIDY-UHFFFAOYSA-N
rxn:4:204605:223929,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc21,QWOSUHNJOSZOQX-UHFFFAOYSA-N
rxn:4:204680:225227,CC1CCN(c2ncc(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,VJHMRQMUFDTBSJ-UHFFFAOYSA-N
rxn:4:204696:223385,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cc(C=NO)ccc1Cl,RDRFFANTDBFUKI-UHFFFAOYSA-N
rxn:4:204696:228340,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1sc(C2CC2)nc1OC,VXKBOURJYWVOFX-UHFFFAOYSA-N
rxn:4:204787:224818,O=C(C1=CN(c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)c2ccccc2S1(=O)=O)N1CCCC1,MPBVTVQQBXXEFR-UHFFFAOYSA-N
rxn:4:204809:227679,O=C(C1=CN(c2cccc(-c3ccc4c(c3)OC(F)(F)O4)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1,CZZWUEOINFAIQE-UHFFFAOYSA-N
rxn:4:206411:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2(C#N)CCOCC2)nc1,XWUHZLPNVCALET-UHFFFAOYSA-N
rxn:4:206419:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCCC2)nc1,XSZQCQZLQQPOFX-UHFFFAOYSA-N
rxn:4:206483:223776,COc1nn(C2CCCCO2)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,NVGPANACYOAKPH-UHFFFAOYSA-N
rxn:4:206509:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cccc(N3CCOCC3)c2[N+](=O)[O-])CC1,LRBQZSNSMHEZAK-UHFFFAOYSA-N
rxn:4:206944:223999,CC1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)nc2)CC1,OBXCUEZKRHSETG-UHFFFAOYSA-N
rxn:4:206962:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCCN(S(C)(=O)=O)C2)nc1,GNPRQKYAVSVVNQ-UHFFFAOYSA-N
rxn:4:207007:225926,O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1,PUSUADAEZKSCLU-UHFFFAOYSA-N
rxn:4:207062:223491,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,CUBUTMWGTPBOTD-UHFFFAOYSA-N
rxn:4:207086:222721,Cc1cc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,WHTQOMSTPHNWAN-UHFFFAOYSA-N
rxn:4:207315:223812,COC(=O)c1nc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)n2c1COCC2,NCRDWWWJCYGVKF-UHFFFAOYSA-N
rxn:4:207395:223814,COC(=O)c1nn2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)cc1F)CCCC2,KMPKSSQTSHASSO-UHFFFAOYSA-N
rxn:4:207760:222947,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1F,LFHSJVDJPDRWTF-UHFFFAOYSA-N
rxn:4:207946:226056,COc1cc(-c2c3c(cc4c2CCC4)CCC3)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,PUXPOGURVAMHMF-UHFFFAOYSA-N
rxn:4:210286:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)c4nccnc4c3)cc2)CC1,MAKUCBXOAVVEBL-UHFFFAOYSA-N
rxn:4:210550:223506,Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2cnccc2c1[N+](=O)[O-],ZETPNIQBTZSDEN-UHFFFAOYSA-N
rxn:4:210936:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCCCC5)sc4c3)cc2F)CC1,OCLKXJVPWLEFJU-UHFFFAOYSA-N
rxn:4:211098:223774,COc1cccc2c1cc(-c1ccc3c(c1)C1CC(c4ccc(F)cc4)=NN1C1(CCCC1)O3)n2C(=O)OC(C)(C)C,LIXUQISKGBYOMJ-UHFFFAOYSA-N
rxn:4:212181:223482,Cc1nc2n(c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)CCC2,BRYQCKSLOODTRA-UHFFFAOYSA-N
rxn:4:212482:223498,CN1C(=O)COc2c1cnc1cc(F)c(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,NHGFPYQJXBJWBR-UHFFFAOYSA-N
rxn:4:212499:223687,COCCOc1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nn1COC,AUNPPQPZUGWCEY-UHFFFAOYSA-N
rxn:4:212541:223940,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)n2)C1,DNORXXUQUOHWMB-UHFFFAOYSA-N
rxn:4:212541:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,DPHIHYDDZPSRKX-UHFFFAOYSA-N
rxn:4:212571:226096,CC(C)CCOc1cccc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)c1,CBIFCOWJVRJSCL-UHFFFAOYSA-N
rxn:4:212583:222405,O=C1NC(=O)C(c2cccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)cc3)c2)N1,RWSXXCDGLWJWHT-UHFFFAOYSA-N
rxn:4:212605:223659,Cn1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,BLCOGTWOLKCWEZ-UHFFFAOYSA-N
rxn:4:212647:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)cn2)CC1,YDKCCJPBYPNJGB-UHFFFAOYSA-N
rxn:4:212652:224269,COC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ASHKJSNSWYEVOH-UHFFFAOYSA-N
rxn:4:212655:223776,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HMNSJCJIZBLJRH-UHFFFAOYSA-N
rxn:4:212656:224274,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cnccc3n2C(=O)OC(C)(C)C)c1,RVMAVUQCULKMHF-UHFFFAOYSA-N
rxn:4:212675:223065,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCNCC3)cc2F)cc1[N+](=O)[O-],LHJDWNYZWYMVRF-UHFFFAOYSA-N
rxn:4:212691:223761,CN(C(=O)c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,OAXSGICRVQTLGK-UHFFFAOYSA-N
rxn:4:212692:222799,Cc1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1S(=O)(=O)NC(C)(C)C,BQLPLJAKNVHVMM-UHFFFAOYSA-N
rxn:4:212696:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)c2)CC1,XNTVHZVXTCGZBS-UHFFFAOYSA-N
rxn:4:212696:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)c(F)cn2)CC1,VIGQYCGEFHHJFJ-UHFFFAOYSA-N
rxn:4:212704:225899,Cc1cc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)n(C(=O)OC(C)(C)C)n1,TXPOBQIWTUNHCT-UHFFFAOYSA-N
rxn:4:212738:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,ILSIRWSOQMUWCY-UHFFFAOYSA-N
rxn:4:212738:223880,Cc1ccc2c(c1)cc(-c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c1)n2C(=O)OC(C)(C)C,HDJDGUMKUUBICL-UHFFFAOYSA-N
rxn:4:212743:223652,COc1ccc(Cl)c2cc(-c3ccc(N4CCN(CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)n(C(=O)OC(C)(C)C)c12,VGTRVURTCQSDCZ-UHFFFAOYSA-N
rxn:4:212743:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,SJUBKJQNPSFQNH-UHFFFAOYSA-N
rxn:4:212747:223578,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1N1CCOCC1,YXLIMXUUNJJOFF-UHFFFAOYSA-N
rxn:4:212747:223932,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cc1N1CCOCC1,XZECMSGHLXNBCT-UHFFFAOYSA-N
rxn:4:212747:224280,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1N1CCOCC1,SWNHDOCBOMOKAU-UHFFFAOYSA-N
rxn:4:212750:223480,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YJGHXZNALKLOLI-UHFFFAOYSA-N
rxn:4:212750:224928,COC(=O)c1ccc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCCCC4)c3)ccc2c1,IGRXAMWXGFLECH-UHFFFAOYSA-N
rxn:4:212770:223636,CCOC(=O)c1nn2c(c1-c1ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc1)CN(C(=O)OC(C)(C)C)CC2,DKCNOXLYWIHCRX-UHFFFAOYSA-N
rxn:4:212770:223930,CCOC(=O)c1nn2c(c1-c1cc3cnn(C(=O)OC(C)(C)C)c3cc1C)CN(C(=O)OC(C)(C)C)CC2,MIJOFLPQTGEPCT-UHFFFAOYSA-N
rxn:4:212770:226538,CCOC(=O)c1cc(Cl)ccc1-c1c(C(=O)OCC)nn2c1CN(C(=O)OC(C)(C)C)CC2,QXBTUYZPEAPARG-UHFFFAOYSA-N
rxn:4:212791:225830,CCOC(=O)c1nn2c(c1-c1cnc(N3CCCCC3)nc1C)CN(C(=O)OC(C)(C)C)CCC2,CDBFJXUTQPQUER-UHFFFAOYSA-N
rxn:4:212804:222584,O=C(OCc1ccccc1)N1CCC(Cn2ccc3c(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccnc32)CC1,MBULTLWJAXPPSL-UHFFFAOYSA-N
rxn:4:212804:223773,COc1cccc2cc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)n(C(=O)OC(C)(C)C)c12,TXAYGGZYYTXPTL-UHFFFAOYSA-N
rxn:4:212822:222985,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(C6CCCNC6)nc5C)cc43)CC2)cc1,RQIUEXCDKDNFMX-UHFFFAOYSA-N
rxn:4:212822:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ccn(CC(=O)N5CCN(S(=O)(=O)c6ccc(OC)cc6)CC5)c4c3)c2)CC1,ULLILMUUPLBKJU-UHFFFAOYSA-N
rxn:4:212822:224817,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccccc5S(=O)(=O)N5CCOCC5)cc43)CC2)cc1,XZOUVVMNYDXNTC-UHFFFAOYSA-N
rxn:4:212829:223499,CN(C(=O)c1cc2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,AZEFOGMJHTVAKJ-UHFFFAOYSA-N
rxn:4:212829:224276,CN(C(=O)c1cc2cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,JNQLZAFHWVPNCO-UHFFFAOYSA-N
rxn:4:212906:223588,Cc1cc(-c2cncc(OC3CN(C(=O)OC(C)(C)C)C3)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,RZJIIAWPCTXQJP-UHFFFAOYSA-N
rxn:4:212963:224665,CN1CCN(Cc2cc(F)ccc2-c2cncc(OC3CCN(C(=O)OC(C)(C)C)C3)n2)CC1,RZGDOCKPHIWDGI-UHFFFAOYSA-N
rxn:4:212964:224273,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cn2)C1,KSYSUXXDARSWNK-UHFFFAOYSA-N
rxn:4:212966:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccn2)CC1,MUSSJTKYAIKRFV-UHFFFAOYSA-N
rxn:4:212966:225911,COC(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)cc1OC,FVYKORVOAGSIKK-UHFFFAOYSA-N
rxn:4:212970:222971,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(NC(=O)C(C)(C)C)cc1,JKKYQGDANDGYQR-UHFFFAOYSA-N
rxn:4:213031:222916,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)C1,BFMCBKADSRVRSP-UHFFFAOYSA-N
rxn:4:213031:222944,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cn2)C1,WVKTXYLNKXJRFL-UHFFFAOYSA-N
rxn:4:213042:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)cn1,RQGHUPNWIQBMLY-UHFFFAOYSA-N
rxn:4:213043:225232,CC1CCN(c2cc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cnc2Cl)CC1,CYBQIAYGHJSLRY-UHFFFAOYSA-N
rxn:4:213061:224404,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cc2)CC1,GCEREMYSLGCJNS-UHFFFAOYSA-N
rxn:4:213073:225227,CC1CCN(c2ncc(-c3ccnn3CC3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,FDKJAZKVFKUXAZ-UHFFFAOYSA-N
rxn:4:213073:226374,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cncnc2C2CCCCC2)CC1,BDTJAHBTFVKMFT-UHFFFAOYSA-N
rxn:4:213078:223084,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(N4CCC(O)CC4)nc3)c2C(F)F)CC1,ICPLAGHHRRXUDU-UHFFFAOYSA-N
rxn:4:213078:228454,COc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c(OC)nn1,HDLFVTYWGWYVJY-UHFFFAOYSA-N
rxn:4:213079:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3N3CCOCC3)nc2)CC1,NPCCAORZSPYCBG-UHFFFAOYSA-N
rxn:4:213095:225947,CN1CCN(c2ncc(-c3cc(C#N)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,OLPMDYZNQFAOSA-UHFFFAOYSA-N
rxn:4:213096:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,ZPICFRMXDIZAMR-UHFFFAOYSA-N
rxn:4:213096:223975,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)ccc2C#N)CC1,RFBIHZMUENSTHO-UHFFFAOYSA-N
rxn:4:213109:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,IBQANAKFCUIMIS-UHFFFAOYSA-N
rxn:4:213110:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3)C2)nc1,WPJRFASSNVISNB-UHFFFAOYSA-N
rxn:4:213130:223929,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,CBTDABRNBGRLQC-UHFFFAOYSA-N
rxn:4:213138:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cnc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,CCUSYYISKYDCMA-UHFFFAOYSA-N
rxn:4:213139:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(Cl)cn1,LTRCORJAQCMOEQ-UHFFFAOYSA-N
rxn:4:213139:224158,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,GYMSPBLHQJGQME-UHFFFAOYSA-N
rxn:4:213141:227240,CC(=O)OCc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])cc1,ZECHBTXNTUKFRM-UHFFFAOYSA-N
rxn:4:213143:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,SANAZENUTIIOCZ-UHFFFAOYSA-N
rxn:4:213143:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,RCXPEFHCSZZOKL-UHFFFAOYSA-N
rxn:4:213143:223935,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC1,OVHOFSRCIIOQHQ-UHFFFAOYSA-N
rxn:4:213147:223001,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCCNC4)ccc3F)c2)CC1,UQTNONTXJOBFGR-UHFFFAOYSA-N
rxn:4:213147:228374,Cc1cc([N+](=O)[O-])ccc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PTQINLSJNKMABM-UHFFFAOYSA-N
rxn:4:213150:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc(C(F)(F)F)c2)CC1,BNIWRCFDLXTTGA-UHFFFAOYSA-N
rxn:4:213202:222846,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCNC4)ccc3C#N)CC2)nn1,OFNBYRBYJVAKLA-UHFFFAOYSA-N
rxn:4:213216:227698,COc1ncc(Cl)c(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)c1OC,ATOCQGLYUHRSCO-UHFFFAOYSA-N
rxn:4:213216:228200,c1cc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)n(C2CCCC2)n1,TUGDFRXYAUZKMD-UHFFFAOYSA-N
rxn:4:213260:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,DRTGXCDBBBQOTJ-UHFFFAOYSA-N
rxn:4:213260:229149,CCOc1nc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cs1,MSJCXYPSJCIWMH-UHFFFAOYSA-N
rxn:4:213275:223493,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)no3)CC2)cc1,QONMDDZKXFBXRA-UHFFFAOYSA-N
rxn:4:213289:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(C(C)(C)C)nc1C1CCN(C(=O)OC(C)(C)C)CC1,STZQBRFSHJGJOT-UHFFFAOYSA-N
rxn:4:213289:224371,COC(=O)C1CCN(c2ncc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,DDNRLZDDVHQNED-UHFFFAOYSA-N
rxn:4:213289:226275,Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1OCC(C)C,DPNNZVJPTPFJTD-UHFFFAOYSA-N
rxn:4:213320:222730,CCCc1cc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)cc(C2CCNCC2)n1,LCQINANCOQHDMS-UHFFFAOYSA-N
rxn:4:213320:224810,COC(=O)c1nc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,CKJLLJKHBLGWHY-UHFFFAOYSA-N
rxn:4:213320:225830,COC(=O)c1nc(-c2cnc(N3CCCCC3)nc2C)n2c1CN(C(=O)OC(C)(C)C)CC2,BFGWCOLWXHEQOF-UHFFFAOYSA-N
rxn:4:213320:225901,COC(=O)c1nc(-c2cn(C(=O)OC(C)(C)C)nc2C)n2c1CN(C(=O)OC(C)(C)C)CC2,GGFDUELJLVYMTG-UHFFFAOYSA-N
rxn:4:213336:226571,COC(=O)c1nc(-c2cnn(CC3CCOCC3)c2)n2c1CCN(C(=O)OC(C)(C)C)CC2,NJTBXXPAPWQPFT-UHFFFAOYSA-N
rxn:4:213336:227628,COC(=O)c1nc(-c2cnc(C3CCC3)nc2Cl)n2c1CCN(C(=O)OC(C)(C)C)CC2,BUHWNLVFKLBQGP-UHFFFAOYSA-N
rxn:4:213354:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)CC1,NMEZMJOVRQJRCU-UHFFFAOYSA-N
rxn:4:213354:224158,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cn1)C2,LEGKAPBPAGKDKF-UHFFFAOYSA-N
rxn:4:213388:222432,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)ccnc32)CC1,XUZQTXADGQMLRZ-UHFFFAOYSA-N
rxn:4:213505:223540,COC(=O)Cn1c(C)nc([N+](=O)[O-])c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,BEKHREKPJACGQJ-UHFFFAOYSA-N
rxn:4:213659:223776,CCOC(=O)C1CCCN(c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cn2)C1,JGEDBJRGCQUACB-UHFFFAOYSA-N
rxn:4:213715:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)C4)c3)c2)C1,WRAMCAJWLOYQNH-UHFFFAOYSA-N
rxn:4:213755:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,OEIKPEGXDRXPJM-UHFFFAOYSA-N
rxn:4:213766:223593,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)co2)CC1,KJEAOZJZGZBHTE-UHFFFAOYSA-N
rxn:4:213766:225896,COCCOc1cc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)cc1F,FCVYPCGWJQHKRH-UHFFFAOYSA-N
rxn:4:213799:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)c2)CC1,LGWLKEOEYQQTBV-UHFFFAOYSA-N
rxn:4:213799:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)cc21,VSZFHDGISXXDIT-UHFFFAOYSA-N
rxn:4:213799:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)cnc2C1,SJZHGGZCNLMFII-UHFFFAOYSA-N
rxn:4:213799:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)cnc1Cl,SFHQAPQFECBNCH-UHFFFAOYSA-N
rxn:4:213800:224272,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)ncn1,FXUXUCACEFVEHD-UHFFFAOYSA-N
rxn:4:213835:223500,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,FFOBIOJFDZVSRD-UHFFFAOYSA-N
rxn:4:213835:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,TWPYMTJLFDRWBJ-UHFFFAOYSA-N
rxn:4:213835:224997,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(C(=O)N3CCCCC3)cc2)CC1,PGALTHLJNBUKTL-UHFFFAOYSA-N
rxn:4:213836:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)c2Cl)CC1,AFHWSHYCTOALQK-UHFFFAOYSA-N
rxn:4:213838:223536,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,UJSUJRCGDYFHEA-UHFFFAOYSA-N
rxn:4:213839:223777,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1,XMPVKGBRTJZQQB-UHFFFAOYSA-N
rxn:4:213872:225264,COC(=O)c1ccc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)cc1C(=O)OC,XRVKQHDVKFNIKY-UHFFFAOYSA-N
rxn:4:213875:222541,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)n2)CC1,ZBWADLIEIJOKSL-UHFFFAOYSA-N
rxn:4:213877:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)cc2Cl)CC1,BMNBMRAKNWUTEQ-UHFFFAOYSA-N
rxn:4:213879:223818,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,SPDCFTYUIZJWDU-UHFFFAOYSA-N
rxn:4:213881:223520,CC(c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,LYCLQHJIAASHKR-UHFFFAOYSA-N
rxn:4:213885:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1,JPUADRMOXASYRZ-UHFFFAOYSA-N
rxn:4:213885:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,ZSRQRWICQIXUOZ-UHFFFAOYSA-N
rxn:4:213885:225947,CN1CCN(c2ncc(-c3nccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,AENRWVJVYBWRRR-UHFFFAOYSA-N
rxn:4:213888:226502,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccn(C(=O)OC(C)(C)C)c3)n2)C1,FOASSXYJCYOTQN-UHFFFAOYSA-N
rxn:4:213890:225830,Cc1nc(N2CCCCC2)ncc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ncn1,CWECSIROVCROEK-UHFFFAOYSA-N
rxn:4:213892:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,FJDWPKYZNQWAEG-UHFFFAOYSA-N
rxn:4:213900:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c(F)cn2)CC1,PAOJMJYZLVSMPO-UHFFFAOYSA-N
rxn:4:213902:225227,CC1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2Cl)CC1,XFWYCPCOJDNCRL-UHFFFAOYSA-N
rxn:4:213940:223776,Cn1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1C1CCCN(C(=O)OC(C)(C)C)C1,MWIMOFFMKZYNRI-UHFFFAOYSA-N
rxn:4:213941:225361,Cc1c(-c2cn(C3CCCC3)nc2C(F)(F)F)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,XYICNJMJEDFBJI-UHFFFAOYSA-N
rxn:4:213942:224157,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12,MGUVEWUFIHIYKU-UHFFFAOYSA-N
rxn:4:213942:227684,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(CC2OCCO2)c1,FBIIOBVJCPEEJJ-UHFFFAOYSA-N
rxn:4:213945:222790,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)c1,YLLSDXBROYOUDW-UHFFFAOYSA-N
rxn:4:213969:226739,CC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)cc1[N+](=O)[O-],IYAMZQSMOYFUDZ-UHFFFAOYSA-N
rxn:4:213986:223934,Cc1cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZJTWIBGBVKXLFB-UHFFFAOYSA-N
rxn:4:213990:223058,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(F)nc(C2CCCNC2)c1,OBXGHMFPWILMEA-UHFFFAOYSA-N
rxn:4:213999:224278,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cn1,BOYUGGZQHJPONP-UHFFFAOYSA-N
rxn:4:214038:222791,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cn3)C2)cc1C,PEINOASEBJLDFL-UHFFFAOYSA-N
rxn:4:214044:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)cc1,OCIDMLAKQGIMAF-UHFFFAOYSA-N
rxn:4:214048:222813,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,PUNGGFJEYNKMFK-UHFFFAOYSA-N
rxn:4:214048:224290,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc(Cl)cc1OCCN1CCOCC1,IGUKDGUYWBGWKF-UHFFFAOYSA-N
rxn:4:214048:224720,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,JOXGCMMQXYQROM-UHFFFAOYSA-N
rxn:4:214051:228866,COCc1noc(C)c1-c1nc(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c(C(C)C)s1,WYRVYZKFMVDCGB-UHFFFAOYSA-N
rxn:4:214054:226266,COC(=O)CCc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,GSUQUWRYLFZIRL-UHFFFAOYSA-N
rxn:4:214064:226792,CS(=O)(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)nc3)cc2N2CCOCC2)CC1,QBFVRUREDJNXRQ-UHFFFAOYSA-N
rxn:4:214070:224685,O=C1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)CC1,MRVCHPJCYRNQAF-UHFFFAOYSA-N
rxn:4:214135:224323,CCN(CC)S(=O)(=O)c1c(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)nc2n1CCOC2,BZAHPJUZOLHSGG-UHFFFAOYSA-N
rxn:4:214146:227197,CN1Cc2ccc(-c3c(C(F)(F)F)nc4n3CCN(C(=O)OC(C)(C)C)C4)cc2C1=O,BFCNIJCVPBYKOF-UHFFFAOYSA-N
rxn:4:214185:226056,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3c4c(cc5c3CCC5)CCC4)c2C1,BOAVAASFWHOGSL-UHFFFAOYSA-N
rxn:4:214201:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CC3CC(C2)N3C(=O)OC(C)(C)C)nc1,SKBWOSZRZCRYOU-UHFFFAOYSA-N
rxn:4:214229:226247,CCOc1ccc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)c(OCC)c1,YGINPHIRZYZHNQ-UHFFFAOYSA-N
rxn:4:214231:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4nc(C5CN(C(=O)OC(C)(C)C)CCO5)cn34)cc2)CC1,XQBDPEPJOKTKOL-UHFFFAOYSA-N
rxn:4:214296:224271,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4cc5cccnc5n4C(=O)OC(C)(C)C)cc23)CC1,RNNWNLNIUKUUAI-UHFFFAOYSA-N
rxn:4:214304:228196,Cc1ncnc(C2CC2)c1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,PMEXSKODLMSZPM-UHFFFAOYSA-N
rxn:4:214304:228789,COc1cc(F)ccc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,BHFGSJVTRHJGTH-UHFFFAOYSA-N
rxn:4:214334:223773,COc1cccc2cc(-c3ccccc3S(=O)(=O)n3ccc4c(CN5CCN(C)CC5)cccc43)n(C(=O)OC(C)(C)C)c12,SWTOBBTVBSFUTO-UHFFFAOYSA-N
rxn:4:214631:224337,CS(=O)(=O)N1CCC(Cc2cnc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cn2)C1,IRSYWNPJXKVJKA-UHFFFAOYSA-N
rxn:4:214671:224685,O=C1CCN(C(=O)c2cccc(-c3cnn(C4CCN(C(=O)C5CC5)CC4)c3)c2)CC1,PEJMEJIDMGPRGU-UHFFFAOYSA-N
rxn:4:214705:224087,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(OCCN4CCCCCC4)c3)cn2)CC1,TYSIHWDKLWDQDA-UHFFFAOYSA-N
rxn:4:214706:224337,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cn2)C1,GSFUYRIVTCHDCO-UHFFFAOYSA-N
rxn:4:214706:224393,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,XKGFSGIZDXVWJN-UHFFFAOYSA-N
rxn:4:214866:222803,O=C(C1CCCN(c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cn2)C1)N1CCOCC1,BUFKCZYKRHIALE-UHFFFAOYSA-N
rxn:4:215054:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)cc2C1,XNWJLJFOFLVXHX-UHFFFAOYSA-N
rxn:4:215056:225326,CCOC(=O)c1ccc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)c([N+](=O)[O-])c1,XFFNMCAPVCULIA-UHFFFAOYSA-N
rxn:4:215056:226028,N#Cc1c(C(F)(F)F)ccc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)c1F,OEBSHEAGFQSFMF-UHFFFAOYSA-N
rxn:4:215065:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,SSJJNFSJWANMQS-UHFFFAOYSA-N
rxn:4:215066:223695,CC(C)(C)OC(=O)N1CCCn2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c21,NJNWNFITTJVXIF-UHFFFAOYSA-N
rxn:4:215101:225312,CN1CCCN(c2ncc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,GSCFPXXCNYMYEW-UHFFFAOYSA-N
rxn:4:215102:223761,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2CC1,NKKXHBIWCCVQHS-UHFFFAOYSA-N
rxn:4:215106:224653,Cc1nn2c(c1-c1ccc(Cl)cc1OCC1CCCCO1)CN(C(=O)OC(C)(C)C)CC2,CQMUIYZXCAVCBY-UHFFFAOYSA-N
rxn:4:215106:225209,Cc1nc(N2CCCCC2C)ncc1-c1c(C)nn2c1CN(C(=O)OC(C)(C)C)CC2,JUTXWVVWLATJIU-UHFFFAOYSA-N
rxn:4:215214:226841,COc1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cnc1C(F)(F)F,RCWAEJMYSXSNCQ-UHFFFAOYSA-N
rxn:4:215679:223608,COc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)nnn1C1CCCC1,LMHRJZAAPXZJGD-UHFFFAOYSA-N
rxn:4:215785:223507,COc1c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nnn1C1CCCCC1,GGVVDXQNYCGLAY-UHFFFAOYSA-N
rxn:4:215852:223992,Cc1ccc(-c2cc(N3CCOCC3)nc(C3CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,XKQMCSXUEKACAJ-UHFFFAOYSA-N
rxn:4:215929:223696,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(N2CCCCCC2)n1,FHZQKPGZCOBYES-UHFFFAOYSA-N
rxn:4:216160:223699,O=[N+]([O-])c1cc2sc(N3CCOCC3)nc2cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,RUBUKHSWFKUOBC-UHFFFAOYSA-N
rxn:4:216252:224599,CC(=O)N1CCc2c(c(-c3cc(C(=O)C4CCCCC4)ccc3F)nn2C2CCOCC2)C1,VWFFPVCGIRDJSO-UHFFFAOYSA-N
rxn:4:216252:225173,CC(=O)N1CCc2c(c(-c3ccc(C(=O)N4CCCC4)cc3F)nn2C2CCOCC2)C1,FKFJLTFXDDENOV-UHFFFAOYSA-N
rxn:4:216252:225712,CCOC(=O)COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1,CABJFHGNDPHFMB-UHFFFAOYSA-N
rxn:4:216592:223506,Cc1nnc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CC1,OFJAHNUZQXBVQN-UHFFFAOYSA-N
rxn:4:217039:223588,Cc1cc(-c2cnnn2C2CCOCC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IKRBAWGQQKYUNC-UHFFFAOYSA-N
rxn:4:217094:223606,Cc1nnc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n1C1CCCC1,GDNGYBQPSBFVKW-UHFFFAOYSA-N
rxn:4:217152:223823,CN1CCC(n2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,GVJKJJCYWBCTCG-UHFFFAOYSA-N
rxn:4:217175:223823,CC1CCN(c2ccnc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,RCVWIGDRTOAASE-UHFFFAOYSA-N
rxn:4:217584:223539,COc1ccc(-c2cn3nc(C)nc3cc2C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ISEODNDDMZHLMY-UHFFFAOYSA-N
rxn:4:217898:223841,Cc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)c4c(nc23)CCCC4)cc1S(=O)(=O)N1CCN(C)CC1,YPYFCAGRYOZNHL-UHFFFAOYSA-N
rxn:4:218600:223776,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cn2)CC1,GHEBRNYRPLNUSY-UHFFFAOYSA-N
rxn:4:218600:223934,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cn2)CC1,MFDFPSWSMSMNQF-UHFFFAOYSA-N
rxn:4:218652:223228,CCC(=O)Nc1ccc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,HKONEXYAECQVPR-UHFFFAOYSA-N
rxn:4:218684:224292,Cc1cc(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)ccc1S(=O)(=O)OCC(C)(C)C,NUAHXUITRXALBH-UHFFFAOYSA-N
rxn:4:218695:225869,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(N5CCOCC5)c(Cl)c4)c3C)CC2)cc1,MDFZKZRHFYYCOO-UHFFFAOYSA-N
rxn:4:218696:222612,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,REGDNSBZXBEHFY-UHFFFAOYSA-N
rxn:4:218696:224770,Cc1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)cc(S(=O)(=O)N2CCCC2)c1,OUFGVJUYYHVMKA-UHFFFAOYSA-N
rxn:4:218704:223650,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n[nH]2)CC1,QAOZFKZBTKNBOC-UHFFFAOYSA-N
rxn:4:218711:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,ZOYMUDZRKHILAY-UHFFFAOYSA-N
rxn:4:218711:224157,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cn(C(=O)OC(C)(C)C)c4ccccc34)CC2)CC1,FUPGNNIKAKEPIG-UHFFFAOYSA-N
rxn:4:218945:223507,CC(C)(C)OC(=O)N1CCN(c2c(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cncc2[N+](=O)[O-])CC1,XLBZPRGBKYYGJA-UHFFFAOYSA-N
rxn:4:218974:224393,Cc1cc(OCC2CCN(c3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3C#N)CC2)ccn1,BJAZDNNPNOYCCQ-UHFFFAOYSA-N
rxn:4:219011:224290,CN(c1cnc(-c2ccc(Cl)cc2OCCN2CCOCC2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,DSZXQCMMORZMPV-UHFFFAOYSA-N
rxn:4:219012:223498,CN(c1ncc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,PYNHVNINSWJJEX-UHFFFAOYSA-N
rxn:4:219028:222809,CC1CN(C(=O)c2cnn(C)c2-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,OAKZBZCNDYUKOM-UHFFFAOYSA-N
rxn:4:219033:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)ccc2Cl)CC1,GHTSYWZATXMCPF-UHFFFAOYSA-N
rxn:4:219033:223699,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,MIGZBYDOUVQLLB-UHFFFAOYSA-N
rxn:4:219047:223687,COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,RVHGWORGXMFVKA-UHFFFAOYSA-N
rxn:4:219051:224964,CN(c1cnc(-c2ccc(COC3CCOCC3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,YRMUBUIJVVWJHJ-UHFFFAOYSA-N
rxn:4:219062:223992,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)cc1S(=O)(=O)N1CCN(C)CC1,PNZZHZMSDWWTQI-UHFFFAOYSA-N
rxn:4:219119:222405,CC(=O)C(C)n1c(-c2cccc(C3NC(=O)NC3=O)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,DDJUHUMJKBEJJJ-UHFFFAOYSA-N
rxn:4:219128:222890,COc1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)cc(C2CCCNC2)n1,YVEASWLMBSENNP-UHFFFAOYSA-N
rxn:4:219161:226665,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnc(C4CCCOC4)nc3)cnn12,MOVKTTAYSCUQOS-UHFFFAOYSA-N
rxn:4:219207:227403,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(N5CCCCC5)s4)cc3)cs2)CC1,YFADNPHHUPITBC-UHFFFAOYSA-N
rxn:4:219334:223776,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)s2)CC1,VAPUTRVMDVJUSZ-UHFFFAOYSA-N
rxn:4:219363:223699,Cn1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)C2)cn1,WQCZPVWIXQGUME-UHFFFAOYSA-N
rxn:4:219370:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2F)CC1,WIYDREYSDZHYFG-UHFFFAOYSA-N
rxn:4:219372:225519,CCOC(=O)CCc1ccc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,DWIMSXXKSFSCDA-UHFFFAOYSA-N
rxn:4:219381:224319,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,UQKDUHXXRNJQNC-UHFFFAOYSA-N
rxn:4:219401:223646,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)s2)CC1,OFKDTSGEEATSRZ-UHFFFAOYSA-N
rxn:4:219401:224830,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3cc(C(F)(F)F)nn3C3CCCCO3)s2)CC1,DTVJAPYVVCSMIJ-UHFFFAOYSA-N
rxn:4:219401:225227,CC1CCN(c2ncc(-c3nnc(N4CCCN(C(=O)OC(C)(C)C)CC4)s3)cc2Cl)CC1,YJJRDNUTEHCFOR-UHFFFAOYSA-N
rxn:4:219439:224394,Cc1ccc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,BVGJOSVBJATMKK-UHFFFAOYSA-N
rxn:4:219452:223490,Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,IYFPPXKLTHDCQO-UHFFFAOYSA-N
rxn:4:219453:226432,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(C5CCCC5)nc4F)cn3)C2)C1=O,LRIVZORFUHTPDX-UHFFFAOYSA-N
rxn:4:219456:224356,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)n1,VGQSCOLMIMBBMH-UHFFFAOYSA-N
rxn:4:219457:226056,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2c3c(cc4c2CCC4)CCC3)nn1,NJMALWYVLJSGCZ-UHFFFAOYSA-N
rxn:4:219463:223536,Cc1cc(OCC2CCN(c3ncc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)ccn1,XAGDHDIYBRXQPC-UHFFFAOYSA-N
rxn:4:219464:223997,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)CC1,LFQIFVNPBMZMBO-UHFFFAOYSA-N
rxn:4:219469:224761,CSc1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,POERVNLISQLIHL-UHFFFAOYSA-N
rxn:4:219489:226046,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C(F)(F)C(F)(F)F)c1,KSVINUYBWZSBAR-UHFFFAOYSA-N
rxn:4:219498:223136,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccncc1C1CCCNC1,GFIDPOZXIFCHBA-UHFFFAOYSA-N
rxn:4:219515:226744,CCc1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cnc1C(F)(F)F,KUHLTVUOAWAQCB-UHFFFAOYSA-N
rxn:4:219515:228064,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cnc4c(c3)C(=O)CC4)s1)C2,OPJDWEGIOBLMQY-UHFFFAOYSA-N
rxn:4:219515:228863,COCCn1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cn1,CAISDAGEKGDOBR-UHFFFAOYSA-N
rxn:4:219539:223687,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1,NEWFLVWFODTTFF-UHFFFAOYSA-N
rxn:4:219551:222946,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(N5CCCCC5O)nc4Cl)cn3)CC2)C1=O,YPHAAPOBGBGGQP-UHFFFAOYSA-N
rxn:4:219551:227861,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc5c(c4)CCCC5)cn3)CC2)C1=O,MBZXCUJMGPDQON-UHFFFAOYSA-N
rxn:4:219654:224158,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc23)CC1,WEWWQMRCXJZCJB-UHFFFAOYSA-N
rxn:4:219687:223933,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)cc32)CC1,DOXHHCDNHMEVFE-UHFFFAOYSA-N
rxn:4:219691:225227,CC1CCN(c2ncc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cc2Cl)CC1,OTGFPJQWGPIBNT-UHFFFAOYSA-N
rxn:4:219691:226273,CCN(C)C(=O)c1ccc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cc1,FFKVLIZAIYNTJZ-UHFFFAOYSA-N
rxn:4:219692:223648,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c3cnc(Cl)nc32)CC1,SCBHEFRZGSMJND-UHFFFAOYSA-N
rxn:4:219704:223638,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc3n2)CC1,VXZDPDFVEKVHCM-UHFFFAOYSA-N
rxn:4:219762:223357,CC(=O)Nc1ccccc1-c1ccc(C2=C(C(C)=O)Sc3nnc(C4CCCCC4)n3N2C(C)=O)cc1,QRGIGJDHGSSWMX-UHFFFAOYSA-N
rxn:4:219832:223841,COCn1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)nc1N1CCOCC1,FZFXAPSCOSQWFN-UHFFFAOYSA-N
rxn:4:219878:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)nc1,GULMWVSIEJAGOL-UHFFFAOYSA-N
rxn:4:219892:224792,CC(=O)N(C)C1CCN(c2ncc(-c3cc(C(F)(F)F)cnc3SCC(C)C)cn2)CC1,UTFQKPQOBHOSOQ-UHFFFAOYSA-N
rxn:4:219931:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,BUMMKCYNLUVDST-UHFFFAOYSA-N
rxn:4:219988:225876,O=C(C1CCCN(c2ncc(-c3cc(Cl)ccc3N3CCOCC3)cn2)C1)N1CCOCC1,GOVOULZQGYBGMH-UHFFFAOYSA-N
rxn:4:220018:223660,COCC(=O)N1CCn2nc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)nc2C1,FFUTWDYOJKHWFO-UHFFFAOYSA-N
rxn:4:220034:223974,CC(C)CC(=O)N1CCn2nc(-c3ccc(N4CCC(C)CC4)cc3C(F)(F)F)nc2C1,JRQLYLHTLWOTIV-UHFFFAOYSA-N
rxn:4:220038:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,MZOVIUYFUXCFSC-UHFFFAOYSA-N
rxn:4:220038:224720,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)C1,QCWQVMCOROUXOM-UHFFFAOYSA-N
rxn:4:220039:224771,Cc1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCCC1,VJNYXHCVJSNHHY-UHFFFAOYSA-N
rxn:4:220041:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,CHUSXJPWHXFLFH-UHFFFAOYSA-N
rxn:4:220041:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,XTHOWKHJUBYFGJ-UHFFFAOYSA-N
rxn:4:220041:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,UUUIZYCLEMRDIW-UHFFFAOYSA-N
rxn:4:220069:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,VPTLIAIOWOPUKT-UHFFFAOYSA-N
rxn:4:220069:224771,Cc1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCCC1,QQUKKYDZNKDFCS-UHFFFAOYSA-N
rxn:4:220070:225213,CN1CCN(c2ccc(-c3nc4n(n3)CCCN(C(=O)OC(C)(C)C)C4)c(Cl)c2)CC1,FNYLCXNKEQILDN-UHFFFAOYSA-N
rxn:4:220070:225367,CC(C)(C)OC(=O)N1CCCn2nc(-c3cnc(N4CCC(F)(F)CC4)nc3)nc2C1,SSOMNOBFXMOJDA-UHFFFAOYSA-N
rxn:4:220154:222628,O=C(c1ccccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1)N1Cc2cnc(N3CCOCC3)nc2C1,RIFHLNKBTQXMDE-UHFFFAOYSA-N
rxn:4:220154:224818,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCSCC2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1,MZJBBAHTUNCEFX-UHFFFAOYSA-N
rxn:4:220161:223504,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)c(C)c4)C3C2=O)c1,YZCLPILEGUPCBM-UHFFFAOYSA-N
rxn:4:220161:224274,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cc6cnccc6n5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)c1,NIHITVIMDNGMPJ-UHFFFAOYSA-N
rxn:4:220224:225911,COC(=O)c1cc(-c2ccc(C3Cn4nnc(C(=O)N5CCCCCC5)c4CO3)cc2)c(Cl)cc1OC,UYXQLGRZLILOSM-UHFFFAOYSA-N
rxn:4:220421:223480,Cc1cc(-c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IWSXWKYUZXETQE-UHFFFAOYSA-N
rxn:4:220426:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)c1,SEKMNFLCEUBGRW-UHFFFAOYSA-N
rxn:4:220464:223970,Cc1ccc(-c2nc3n(n2)CCN(C(=O)C2CCC2)C3)cc1S(=O)(=O)N1CCC(C)CC1,JMZPSANMKDPBNQ-UHFFFAOYSA-N
rxn:4:220896:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc2c(S(N)(=O)=O)c(C)nn2c1,WCXZRMSWPWRHPY-UHFFFAOYSA-N
rxn:4:220937:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCOCC5)nn4c3)cc2)CC1,BHKLMOKUICSKBP-UHFFFAOYSA-N
rxn:4:221165:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)C4)nc3)cc2)CC1,HSPMRUCQOUKOIW-UHFFFAOYSA-N
rxn:4:221186:225297,CN(CC1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,RJWBLMRNXWNXHE-UHFFFAOYSA-N
rxn:4:221203:222729,CCCc1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc(C2CCCNC2)n1,YAOVVVQENUODAU-UHFFFAOYSA-N
rxn:4:221204:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,GMSVQEYRBGRFSU-UHFFFAOYSA-N
rxn:4:221209:222742,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)CC2)n1,SEJMNCLMPKPWBE-UHFFFAOYSA-N
rxn:4:221218:223533,CN(C)c1ccc(-c2nnc3sc(COc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)nn23)cc1,IKUODYLVZXYKMC-UHFFFAOYSA-N
rxn:4:221249:222929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCC(O)CC6)c5)cnn4c3)cc2)CC1,JYKSNKMXPWOPQD-UHFFFAOYSA-N
rxn:4:221351:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc2)CC1,DQXUROQWORFINI-UHFFFAOYSA-N
rxn:4:221371:223508,COc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)CC2)n1,WZZQDOCDNIKBLR-UHFFFAOYSA-N
rxn:4:221456:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)c(Cl)c1,PMVRLHMRASWQGV-UHFFFAOYSA-N
rxn:4:221522:223886,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cccc6c5CCN(C(=O)OC(C)(C)C)C6)cn4)CC3)cnc2c1,ZJRUDMSIRHKYSL-UHFFFAOYSA-N
rxn:4:221576:223482,N#CCn1nc([N+](=O)[O-])nc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,JFTZRBYDSJBQBL-UHFFFAOYSA-N
rxn:4:221579:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(-n4c(-c5nonc5[N+](=O)[O-])noc4=O)ccc3F)c(F)cn2)CC1,LBDPPUGYKUAPFA-UHFFFAOYSA-N
rxn:4:221596:223499,COCn1nc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1N1CCN(C)CC1,CISCJTWCPCIHIE-UHFFFAOYSA-N
rxn:4:221596:223500,COCn1nc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1N1CCN(C)CC1,CSPTWUDDNWCXSS-UHFFFAOYSA-N
rxn:4:221639:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(Cn4nc(C)ccc4=O)CC3)nc2)c(Cl)c1,KYCRTPTWLVSQKY-UHFFFAOYSA-N
rxn:4:221642:227385,Cc1nc(C(C)(C)C)ncc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,XOTPGSFEAMERLP-UHFFFAOYSA-N
rxn:4:221645:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)ccc2F)CC1,MDHHYPMQWRRWBA-UHFFFAOYSA-N
rxn:4:221645:223608,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cn3)CC2)n1,WTKMIBUDGLMURW-UHFFFAOYSA-N
rxn:4:221645:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2C1,FVTXZHRAPDYVTI-UHFFFAOYSA-N
rxn:4:221645:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2C1,YAXVXDBOKVPDNP-UHFFFAOYSA-N
rxn:4:221723:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)cnc1Cl,BSGLEYRGVNEISB-UHFFFAOYSA-N
rxn:4:221730:224290,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,ZEGFBNXGZDSPJC-UHFFFAOYSA-N
rxn:4:221731:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1,ITCALOOILDNBTA-UHFFFAOYSA-N
rxn:4:221745:223652,COc1ccc(Cl)c2cc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCCCCC4)c4sccc45)cc3)n(C(=O)OC(C)(C)C)c12,RLQQTBVVUNJMJN-UHFFFAOYSA-N
rxn:4:221745:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCCCCC4)c4sccc45)cc3)ccc21,DHYFKIASRFZMKJ-UHFFFAOYSA-N
rxn:4:221749:223602,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4)c(=O)n(C)c3nc2n1C(C)C,DAVYXOJAVOBVBI-UHFFFAOYSA-N
rxn:4:221832:223695,O=S1(=O)N=C(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)CC2)c2ccccc21,HSCOQMBLEAUFMQ-UHFFFAOYSA-N
rxn:4:221919:223980,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,YSTOOUJYBXDPJL-UHFFFAOYSA-N
rxn:4:221919:224376,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,BPHOURBRQKOYPT-UHFFFAOYSA-N
rxn:4:221972:223699,O=S(=O)(c1ccc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(C(F)(F)F)c1)N1CCOCC1,JBYIFJNMPZXQMZ-UHFFFAOYSA-N
rxn:4:221978:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1Cl,HNWQNIYEAPRLFM-UHFFFAOYSA-N
rxn:4:221985:223575,Cn1cc(-c2nc3cnc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,PVEFMTFZSWEQRA-HHHXNRCGSA-N
rxn:4:222056:224720,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c(C2CC2)n1,DHJXDRRVERASGZ-UHFFFAOYSA-N
rxn:4:222154:224752,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cn3)CC2)cc(C(F)(F)F)n1,XQYHZQQEHGRMBO-UHFFFAOYSA-N
rxn:4:222155:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc2)CC1,OMZYIMHGJZNJFQ-UHFFFAOYSA-N
rxn:4:222155:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1,WZTCUBGNYYPQBP-UHFFFAOYSA-N
rxn:4:222214:223542,Cc1ccc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cn3)CC2)nn1,PJEJKSIFDBINLE-UHFFFAOYSA-N
rxn:4:222297:224408,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cc(C(F)(F)F)nn5C(=O)OC(C)(C)C)o4)CC3)ncnc21,CEWIQDXTSXMCSX-UHFFFAOYSA-N
rxn:4:222337:224392,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4C)cn3)CC2)n1,TWZKAUMGEQCGBI-UHFFFAOYSA-N
rxn:4:222393:186540,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(C(F)(F)F)c2)c1,VWBPIFSKAFKXTP-MXVIHJGJSA-N
rxn:4:222603:174726,COc1cc(-c2cccc(C(=O)CC(=O)C(F)(F)F)c2)c(Cl)cc1NC(=O)OC(C)(C)C,BBYJLXCYLUXHJH-UHFFFAOYSA-N
rxn:4:222722:215967,CC(C)(C)c1cc(N2CCOCC2)nc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)n1,AEYIVWQZIOTINF-UHFFFAOYSA-N
rxn:4:222741:174434,CC(C)Oc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,UTJWQVGWRXUQLN-UHFFFAOYSA-N
rxn:4:222741:174570,CCCCCCC1CC(=O)c2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)ccc2O1,OYGRTSXPIVGOGB-UHFFFAOYSA-N
rxn:4:223590:215785,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)nnn1C1CCCCC1,AJYTWBRXOSAPNI-UHFFFAOYSA-N
rxn:5:177734:223082:226188,CNS(=O)(=O)c1c(C)cc(-c2cc(C)c(C(=O)OC(C)C)cc2-c2cc(C)c([Si](C)(C)C)cc2C)cc1C,QCIODVFMDQLZDT-UHFFFAOYSA-N
rxn:5:177891:226882:227203,O=C(SC1CS(=O)(=O)CC1c1ccc2c(c1)OCCCO2)c1ccccc1-c1ccc(C(F)(F)F)c(F)c1F,FBCZMKGXJZZIRD-UHFFFAOYSA-N
rxn:5:177891:226900:227863,O=C(SC1CS(=O)(=O)CC1c1ccc2c(c1)CCCO2)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,IGCRSXJIYQCYBI-UHFFFAOYSA-N
rxn:5:177891:226900:228277,COc1ccc(F)c(C)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,VZWAFZIHOGXNHF-UHFFFAOYSA-N
rxn:5:177891:226900:228420,CSc1c(F)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc1F,SWKNJIBSZJJHQC-UHFFFAOYSA-N
rxn:5:177891:226901:228242,COc1cc(F)c(C)cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,SQYVRDVDRWEREH-UHFFFAOYSA-N
rxn:5:177971:225394:226464,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc1OCC1CCCC1)OCCO2,JCWZDVHEYLCNCA-UHFFFAOYSA-N
rxn:5:178117:226907:225407,c1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(OCC3CCOCC3)c2)c2c(c1)C1(CC2)CC1,QMNBLCQHMYGEDG-UHFFFAOYSA-N
rxn:5:178119:225937:227052,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(F)(F)F)ncc2C(C)C)c1-c1ccc(SC(C)(C)C)cc1,HIOPXVIYIXRBTK-UHFFFAOYSA-N
rxn:5:178122:222991:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1COC1CCCCO1,CZLYACDVIDHVKR-UHFFFAOYSA-N
rxn:5:178122:222991:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1COC1CCCCO1,LTBJPVWAWDMKOG-UHFFFAOYSA-N
rxn:5:178122:222991:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1COC1CCCCO1,OQMVXMXAXIIVNI-UHFFFAOYSA-N
rxn:5:178122:222995:227056,COc1cccc(C2CC2)c1-c1cc(-c2cccc(N3CCCC(O)C3)c2)ccc1COC1CCCCO1,AXBUOOZLZNVZLB-UHFFFAOYSA-N
rxn:5:178122:222995:227058,COc1ccc(C2CC2)cc1-c1cc(-c2cccc(N3CCCC(O)C3)c2)ccc1COC1CCCCO1,MTIIDBCVRHTPJU-UHFFFAOYSA-N
rxn:5:178122:222995:227072,COc1cc(C2CC2)ccc1-c1cc(-c2cccc(N3CCCC(O)C3)c2)ccc1COC1CCCCO1,YJDGNKSRJWONTB-UHFFFAOYSA-N
rxn:5:178122:225394:227038,COc1ccc(C(C)C)cc1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,KPLUVWLXLLLBHQ-UHFFFAOYSA-N
rxn:5:178122:225453:227056,COc1cccc(C2CC2)c1-c1cc(-c2cccc(SC3CCCCC3)c2)ccc1COC1CCCCO1,JMWWAHWRDBJIQY-UHFFFAOYSA-N
rxn:5:178122:225462:227056,COc1cccc(C2CC2)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)ccc1COC1CCCCO1,AMTQJMMAMWGAHE-UHFFFAOYSA-N
rxn:5:178122:225470:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc(N3CCC(C)CC3)cc2)ccc1COC1CCCCO1,JSOYIKLGPDJKOR-UHFFFAOYSA-N
rxn:5:178122:225470:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(N3CCC(C)CC3)cc2)ccc1COC1CCCCO1,DSBBNFSEFAZIFB-UHFFFAOYSA-N
rxn:5:178122:225498:227056,COc1cccc(C2CC2)c1-c1cc(-c2cc(C3CCCCC3)ccc2F)ccc1COC1CCCCO1,COOCHZPCDADDDH-UHFFFAOYSA-N
rxn:5:178122:226907:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2cccc3c2CCC32CC2)ccc1COC1CCCCO1,BSXQSWDUSWRBIB-UHFFFAOYSA-N
rxn:5:178224:226060:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3cc(C4CC4)cc(C4CC4)c3)c1)OCCO2,IHQBMNSMDPNGPD-UHFFFAOYSA-N
rxn:5:178368:225395:227071,COCc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C5CC5)cc(C(C)(C)C)c4)cc3C)cc2C)c(C)c1,FSRWGQCZNSLHLA-UHFFFAOYSA-N
rxn:5:178368:225440:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2(C#N)CCCC2)cc1,GMSOPZPYPYVJEZ-UHFFFAOYSA-N
rxn:5:178368:226085:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc5c(c4)CCC(C)(C)O5)cc3C)cc2C)cc1C,CGBPTHLHHANBPZ-UHFFFAOYSA-N
rxn:5:178368:226085:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc2c(c1)CCC(C)(C)O2,GSCFIHFGPYAXTH-UHFFFAOYSA-N
rxn:5:178368:226188:223183,CNS(=O)(=O)c1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)c(C)c1,LWVNNFSZJJBZIU-UHFFFAOYSA-N
rxn:5:178368:226188:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)cc1C,BLQVUFNYUNYGKA-UHFFFAOYSA-N
rxn:5:178368:226328:226068,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3c(C)cc(C(C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C(C)(C)C#N)c(F)c1,WGDZBFZALSKPFC-UHFFFAOYSA-N
rxn:5:178368:226329:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2(C#N)CC2)c(F)c1,SXFCCXCHPDUUKV-UHFFFAOYSA-N
rxn:5:178368:226349:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cc(F)cc(OC(C)(C)C)c1,XNCONDIQEZTLTF-UHFFFAOYSA-N
rxn:5:178368:226911:225601,CCc1cc(C)cc(CC)c1-c1cc(C)c(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4(C#N)CCC4)cc3F)c(C)c2)cc1C,XRQKUVAKEHGUKT-UHFFFAOYSA-N
rxn:5:178368:226911:225602,CCc1cc(C)cc(CC)c1-c1cc(C)c(S(=O)(=O)Oc2cc(C)c(-c3cc(C4(C#N)CCC4)ccc3F)c(C)c2)cc1C,VKHRCHBGNKBLCG-UHFFFAOYSA-N
rxn:5:178368:227071:225440,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5(C#N)CCCC5)cc4)c(C)c3)cc2C)c(C)c1,SIXQWGXPOSVSAQ-UHFFFAOYSA-N
rxn:5:178368:227071:225601,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5(C#N)CCC5)cc4F)c(C)c3)cc2C)c(C)c1,GRTJWZQTKDNHJT-UHFFFAOYSA-N
rxn:5:178368:227071:225602,COCc1cc(C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(C5(C#N)CCC5)ccc4F)c(C)c3)cc2C)c(C)c1,KCANEEXSKIUISY-UHFFFAOYSA-N
rxn:5:178568:226464:225514,COc1ccc2c(c1-c1cc(Cc3ccc(C4CC4)cc3)c(-c3cccc4c3OCC3(CC3)CO4)c3c1CCO3)OCCO2,SXWHAQZEMDSAOL-UHFFFAOYSA-N
rxn:5:180021:226778:226835,COc1cc(-c2cc(C3OCCO3)cc(-c3cc(C(F)(F)F)nn3C(C)C)c2OC)c(F)c(F)c1OC,KEHMJLHGASEYER-UHFFFAOYSA-N
rxn:5:180022:225451:226060,COc1c(-c2cc(C3CC3)cc(C3CC3)c2)ccc(-c2ccc(SC3CCCCC3)cc2)c1C1OCCO1,BZXGCMPEJZLZEB-UHFFFAOYSA-N
rxn:5:180297:226836:227524,COc1cc(-c2cc(C3(C)OCCO3)c(-c3cn(C(C)C)nc3C(F)(F)F)cc2OC)c(F)cc1C#N,HSEKNXOOMFTXNF-UHFFFAOYSA-N
rxn:5:180297:226837:227206,COc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(C2(C)OCCO2)cc1-c1ccc2c(c1C)COC2=O,RQHLVTWHCVMCKS-UHFFFAOYSA-N
rxn:5:180402:226901:222990,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(N2CCC(O)CC2)cc1)C1CCCCC1,WIQIAGCYLDXVTD-UHFFFAOYSA-N
rxn:5:180602:226029:226900,CCOc1c(F)c(F)c(-c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc3c2OC(C(=O)OC)C3)c(F)c1F,LCIBLKYLMYDVLQ-UHFFFAOYSA-N
rxn:5:183064:225832:226835,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)cc2c1CCCC2=O,LFXGNVIGGRLDRL-UHFFFAOYSA-N
rxn:5:188447:225584:226411,COC(=O)c1c(-c2ccc(N3CCOCC3)cc2)cc(-c2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-],LHOWNUNAQSYSDF-UHFFFAOYSA-N
rxn:5:188447:225616:226469,COC(=O)c1c(-c2ccc3c(c2)N(C)C(=O)CO3)cc(-c2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-],DFCQUBWQYIDADW-UHFFFAOYSA-N
rxn:5:188595:225935:226836,CCOc1c(-c2cn(C(C)C)nc2C(F)(F)F)cc(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1[N+](=O)[O-],YRZQGXPVIOEVMU-UHFFFAOYSA-N
rxn:5:189000:225939:226900,CC(C)Oc1cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1[N+](=O)[O-],DHOCQRJWWCKOAY-UHFFFAOYSA-N
rxn:5:189207:223389:228199,Cc1nn(C2CCC2)cc1-c1ccc(-c2c(C)n[nH]c2C(F)(F)F)cc1C(=O)ON1C(=O)CCC1=O,ISGMJUGSEZLOTQ-UHFFFAOYSA-N
rxn:5:189207:225584:228894,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1ccccc1[N+](=O)[O-],CDGVILYUEGNDQJ-UHFFFAOYSA-N
rxn:5:189207:225873:226966,O=C1CCCc2ccc(-c3ccc(-c4cccc(N5CCOCC5=O)c4)cc3C(=O)ON3C(=O)CCC3=O)cc21,COIXMPCHLBMWTM-UHFFFAOYSA-N
rxn:5:189207:226084:228407,COc1ccc(F)c(F)c1-c1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1C(=O)ON1C(=O)CCC1=O,VINBGUUWIUJZCF-UHFFFAOYSA-N
rxn:5:189207:226185:226333,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1cccc(C(=O)N2CCC2)c1,NBRTYIWBUJDSKJ-UHFFFAOYSA-N
rxn:5:189207:226413:228340,COc1nc(C2CC2)sc1-c1ccc(-c2cccc(N3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,JXZZCNUUVVRUFN-UHFFFAOYSA-N
rxn:5:189207:226415:226333,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(C(=O)N2CCC2)c1,BIYSIIXBDBKLFJ-UHFFFAOYSA-N
rxn:5:189207:226415:227825,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(C2CCC2)c1,WYOVWRKPYLASDN-UHFFFAOYSA-N
rxn:5:189207:226915:227543,COC(=O)c1cc(-c2ccc(-c3ccc(C4CCCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)ccc1F,NXLLPSSSGYOFTF-UHFFFAOYSA-N
rxn:5:189207:226980:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1ccc(C(=O)N2CCC2)cc1,TVDJMPTZNNYOOF-UHFFFAOYSA-N
rxn:5:189207:227205:226882,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCCO3)ccc1-c1ccc(C(F)(F)F)c(F)c1F,STTGHFRYXUZPKX-UHFFFAOYSA-N
rxn:5:189207:227679:227548,CCOc1ccc(F)c(F)c1-c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)ON1C(=O)CCC1=O,NWWZOIIRUAKTPJ-UHFFFAOYSA-N
rxn:5:189207:228066:226029,CCOc1c(F)c(F)c(-c2ccc(-c3ccc4c(c3)OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c(F)c1F,AZYVOKOCEITGFL-UHFFFAOYSA-N
rxn:5:189207:228066:226778,COc1cc(-c2ccc(-c3ccc4c(c3)OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c(F)c(F)c1OC,RNZJAVQPCSXIBW-UHFFFAOYSA-N
rxn:5:189207:228869:226411,COC(=O)c1cc(-c2ccc(-c3ccc(N4CCOCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cs1,HFESABMOEHAPIP-UHFFFAOYSA-N
rxn:5:189207:229089:226652,CC(=O)c1sccc1-c1ccc(-c2cc(C)nn2C2CCCCO2)c(C(=O)ON2C(=O)CCC2=O)c1,QBVSBHHNHQCFTR-UHFFFAOYSA-N
rxn:5:189208:225583:228077,O=C1OCc2ccc(-c3cc(-c4cccc(C(=O)N5CCCC5)c4)ccc3C(=O)ON3C(=O)CCC3=O)cc21,QEMFXNCMMQAATP-UHFFFAOYSA-N
rxn:5:189208:225873:229089,CC(=O)c1sccc1-c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1C(=O)ON1C(=O)CCC1=O,SYFVLGWWCHPFOQ-UHFFFAOYSA-N
rxn:5:189208:226332:225584,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1-c1ccc(C(=O)N2CCCC2)cc1,DEXKVPLSYJSARU-UHFFFAOYSA-N
rxn:5:189208:226415:228151,COC(=O)c1cccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)c1,REBOKJABVOOQMO-UHFFFAOYSA-N
rxn:5:189208:226415:228317,COC(=O)c1ccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)cn1,WYNNKLFJEKRNQT-UHFFFAOYSA-N
rxn:5:189208:226835:228198,Cc1nc(C(C)C)ncc1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1C(=O)ON1C(=O)CCC1=O,WVWXXONWLVYHKT-UHFFFAOYSA-N
rxn:5:189208:227203:227047,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1-c1cccc(SC2CCC2)c1,QDJUKUXVNOMVQD-UHFFFAOYSA-N
rxn:5:189208:227357:227203,CCC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)OCCCO4)c2)ccc1F,OZXQZXOCIQHWNJ-UHFFFAOYSA-N
rxn:5:189208:227611:228283,CC(=O)c1cc(F)ccc1-c1cc(-c2ccnn2C2CCCCO2)ccc1C(=O)ON1C(=O)CCC1=O,MIXRUOKWGWNBFO-UHFFFAOYSA-N
rxn:5:189208:228079:226142,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1cccc(OC2CCCC2)c1,SNCPLTWRQOQCIP-UHFFFAOYSA-N
rxn:5:189208:228653:226846,COc1nc(C(F)(F)F)ccc1-c1cc(-c2cnn3c2CCCC3)ccc1C(=O)ON1C(=O)CCC1=O,PBXCJRPQQQYTQA-UHFFFAOYSA-N
rxn:5:189208:229091:225873,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cccc(N3CCOCC3=O)c2)c1,PRBMGCAKIVDEBE-UHFFFAOYSA-N
rxn:5:189209:225394:228603,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,OQZCTJOEFJECSU-UHFFFAOYSA-N
rxn:5:189209:225616:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(-c2ccccc2C(=O)N2CCCC2)c1,QTSKUQUCCDMIRH-UHFFFAOYSA-N
rxn:5:189209:225684:228602,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCOCC4)nc3C)c2)cc1,JIORBADDWWTDSI-UHFFFAOYSA-N
rxn:5:189209:226413:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(-c2cccc(N3CCOCC3)c2)c1,PZUDVCSKUVRBJQ-UHFFFAOYSA-N
rxn:5:189209:226899:227870,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)CC3)cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,GTDQGZDJYZGPBU-UHFFFAOYSA-N
rxn:5:189209:226966:225943,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)CCC3)cc(-c2ccc(C(=O)N3CCOCC3)s2)c1,PRCKNJCVAODVNC-UHFFFAOYSA-N
rxn:5:189209:226980:227119,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(C3CCCCC3)cs2)cc(-c2cccc3c2C(=O)CCC3)c1,KLQQTPGNJQYINW-UHFFFAOYSA-N
rxn:5:189209:228894:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2ccccc2[N+](=O)[O-])c1,JCBWCACEVWWGNW-UHFFFAOYSA-N
rxn:5:189210:223186:228872,COC(=O)c1sccc1-c1cccc(-c2cnn(C3CCCCO3)c2)c1C(=O)ON1C(=O)CCC1=O,MXQUQOWOUXGMTO-UHFFFAOYSA-N
rxn:5:189210:223389:226654,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2csc(N3CCC(C)CC3)n2)c1C(=O)ON1C(=O)CCC1=O,OXENTCCMADMZAG-UHFFFAOYSA-N
rxn:5:189210:225584:226969,O=C1CCCc2cc(-c3cccc(-c4ccc(C(=O)N5CCCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)ccc21,VHRHLAGQOHWVHE-UHFFFAOYSA-N
rxn:5:189210:225584:227207,O=C1CCOc2c1cccc2-c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,ZFLJWBXEGYIMON-UHFFFAOYSA-N
rxn:5:189210:225622:229091,CC(=O)c1occc1-c1cccc(-c2ccccc2OC2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,FFAIMUBRLSYYTA-UHFFFAOYSA-N
rxn:5:189210:226045:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1C(=O)ON1C(=O)CCC1=O,AVIWNJDMALGIIG-UHFFFAOYSA-N
rxn:5:189210:226185:223388,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1ccc(S(=O)(=O)O)cc1,LZRLXUFMNLQEIN-UHFFFAOYSA-N
rxn:5:189210:227081:227452,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(N3CCCC3)cc2)cccc1-c1cccc(C2OCCO2)c1,CHZNHPGMLZLMDF-UHFFFAOYSA-N
rxn:5:189210:227279:228975,CC(C)n1nc(C2CC2)cc1-c1cccc(-c2cnn(C(F)(F)F)c2)c1C(=O)ON1C(=O)CCC1=O,IIRAOFHYKMYLLD-UHFFFAOYSA-N
rxn:5:189210:228077:226899,O=C1OCc2ccc(-c3cccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C(=O)ON3C(=O)CCC3=O)cc21,OETVWCLGLAGEIV-UHFFFAOYSA-N
rxn:5:189210:228079:226739,CC(=O)c1ccc(-c2cccc(-c3cccc4c3COC4=O)c2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],GYUSRJWGRFBBTL-UHFFFAOYSA-N
rxn:5:189210:228243:226411,CC(=O)c1cccc(-c2cccc(-c3ccc(N4CCOCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)c1F,DKAJUXIEIYFGFY-UHFFFAOYSA-N
rxn:5:189210:228488:227119,O=C(ON1C(=O)CCC1=O)c1c(-c2cc(C3CCCCC3)cs2)cccc1-c1ccc(F)cc1[N+](=O)[O-],SKYJDZGACNMGDS-UHFFFAOYSA-N
rxn:5:189210:228499:227800,Cn1nc(C(F)(F)F)cc1-c1cccc(-c2cc(F)nc(C(F)(F)F)c2)c1C(=O)ON1C(=O)CCC1=O,FGOGLTYFWSTYNM-UHFFFAOYSA-N
rxn:5:189211:225450:228762,CCn1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C(=O)C3CCCC3)cc2)ccc1=O,SFNYZQULRAFCSM-UHFFFAOYSA-N
rxn:5:189211:225583:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1-c1ccc(N2CCOCC2)cc1,XBJGNWIHIICYJG-UHFFFAOYSA-N
rxn:5:189211:225584:226969,O=C1CCCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C(=O)N4CCCC4)cc3)ccc21,ZZSXPIWDISXAIY-UHFFFAOYSA-N
rxn:5:189211:226084:227700,COc1ccc([N+](=O)[O-])c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)C(=O)CCCC3)c1,SHQVBLHVWWPYRU-UHFFFAOYSA-N
rxn:5:189211:226185:226332,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCOCC3)cc2)c1-c1ccccc1C(=O)N1CCC1,MGZIOARAKUWBGH-UHFFFAOYSA-N
rxn:5:189211:226187:228243,CC(=O)c1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(C3CCOCC3)c2)c1F,FPIZHLAJNOMMCO-UHFFFAOYSA-N
rxn:5:189211:226413:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1C1CCOCC1,CHNVCDJJOBHLNS-UHFFFAOYSA-N
rxn:5:189211:226415:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1cccc(N2CCOCC2=O)c1,OBDALGUBLQVLFY-UHFFFAOYSA-N
rxn:5:189211:226980:226333,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1cccc(C(=O)N2CCC2)c1,HRQIHGYUQCGEQT-UHFFFAOYSA-N
rxn:5:189211:227080:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCCC3)c2)c1-c1ccc(N2CCOCC2)cc1,SYOMAJITNUSOQQ-UHFFFAOYSA-N
rxn:5:189211:227657:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCOCC3)s2)c1-c1ccccc1C1CCOCC1,GVCRPOLIEBHDHV-UHFFFAOYSA-N
rxn:5:189211:227679:227783,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1-c1cc([N+](=O)[O-])c(F)cc1F,PZJLDUBZLMOIBB-UHFFFAOYSA-N
rxn:5:189211:227829:226413,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C2CCC2)c1-c1cccc(N2CCOCC2)c1,XJGWOSQFFLDXPT-UHFFFAOYSA-N
rxn:5:189211:228077:226211,CC(=O)N1CCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)C(=O)OC4)ccc21,UGPGSCDWLWDQOI-UHFFFAOYSA-N
rxn:5:189211:228245:226064,CC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCCCC3)cc2)cc1F,REMHHBAKWIYHAY-UHFFFAOYSA-N
rxn:5:189211:229091:225679,CC(=O)c1occc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(N2CCCCC2)cc1F,KPIMXQVHDNBXQC-UHFFFAOYSA-N
rxn:5:189212:222993:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccc(N2CCCCC2O)c1,XAIOYYRCIHAWOQ-UHFFFAOYSA-N
rxn:5:189212:225470:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCC(C)CC2)cc1,YAJLCBOYPDVYPB-UHFFFAOYSA-N
rxn:5:189212:225583:228895,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(-c2cccc(C(=O)N3CCCC3)c2)c1,GZTCOYPUHSGBTK-UHFFFAOYSA-N
rxn:5:189212:225616:228894,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])c(-c2ccccc2C(=O)N2CCCC2)c1,SGYNPSFXJMDWRQ-UHFFFAOYSA-N
rxn:5:189212:225871:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOCC3)c2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,MGMWPCHGQVMYIL-UHFFFAOYSA-N
rxn:5:189212:226131:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2ccccc2CN2CCCC2)c1,HJFMVGUNVIVYGV-UHFFFAOYSA-N
rxn:5:189212:226155:226469,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)N(C)C(=O)CO3)cc(C2CC2)c1,LRVJMPDYVYOMHY-UHFFFAOYSA-N
rxn:5:189212:226332:228479,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)c(-c2ccccc2C(=O)N2CCC2)c1,GIGVLMBKXHKBNU-UHFFFAOYSA-N
rxn:5:189212:226870:228066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)c(-c2ccc(F)c(OC(F)(F)F)c2)c1,QVWZUNDSWCSJDB-UHFFFAOYSA-N
rxn:5:189212:226966:227804,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c(-c2ccc3c(c2)C(=O)CCC3)c1,GGADUHIOBSOUNN-UHFFFAOYSA-N
rxn:5:189212:226980:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2cccc3c2C(=O)CCC3)c1,KTPZLLCIBOZESM-UHFFFAOYSA-N
rxn:5:189212:227197:225450,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C(=O)C4CCCC4)cc3)cc2C1=O,RXYNKBFVVIHOPT-UHFFFAOYSA-N
rxn:5:189212:227505:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)c(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1,PZIVZGZWHJEBHX-BUHFOSPRSA-N
rxn:5:189212:227870:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)c(-c2ccc3c(c2)C(=O)CC3)c1,YWGZEOGJBQITPT-UHFFFAOYSA-N
rxn:5:189212:228078:226760,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)COC3=O)cc(F)c1F,NGUPOIDOYFVRHV-UHFFFAOYSA-N
rxn:5:189212:228241:226187,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCOCC3)c2)ccc1F,BIMZQFYOTBOFPY-UHFFFAOYSA-N
rxn:5:189212:228514:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2cccc(C3CC3)c2)c1,ICWIOAIZLXUNQO-UHFFFAOYSA-N
rxn:5:189212:228603:225407,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCCCCC3)cc2)c1,QCDQXNZAXHRGDS-UHFFFAOYSA-N
rxn:5:189212:229166:225407,CC(=O)n1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCCCCC3)cc2)cn1,AAJVMVKSSJQDTL-UHFFFAOYSA-N
rxn:5:189664:225462:226901,CC1CCN(c2cccc(-c3ccc(CC(=O)N4CCCC4)c(-c4cccc(S(F)(F)(F)(F)F)c4)c3)c2)CC1,QUTURMAVYFCNQJ-UHFFFAOYSA-N
rxn:5:189665:225832:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)cnc1OCC1CCOCC1,KMNCBXIQTPWUJF-UHFFFAOYSA-N
rxn:5:189676:226836:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,IVWCKWIZIYWVAW-UHFFFAOYSA-N
rxn:5:189718:223130:223307,O=[N+]([O-])c1cc(-c2ccc3c(c2)CCNC3)c(-c2ccc(CN3CC(O)C3)cc2)cc1OC1CCOCC1,DKGKGUPHZUHJBP-UHFFFAOYSA-N
rxn:5:189718:223307:223130,O=[N+]([O-])c1cc(-c2ccc(CN3CC(O)C3)cc2)c(-c2ccc3c(c2)CCNC3)cc1OC1CCOCC1,ZRFUEAMMWCOTJF-UHFFFAOYSA-N
rxn:5:189826:225986:223388,O=C(Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,ZMOALAMOSRFUNU-UHFFFAOYSA-N
rxn:5:189826:228870:225873,COC(=O)c1csc(-c2cc(-c3cccc(N4CCOCC4=O)c3)ccc2CC(=O)N2CCOCC2)c1,LSDVWAKKCPSXJJ-UHFFFAOYSA-N
rxn:5:189952:229168:226837,COc1nc(C)sc1-c1cc(C(=O)N2CCOCC2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,ZEJFMPTUBSMLDR-UHFFFAOYSA-N
rxn:5:190194:225452:227524,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(OC3C=CCCC3)cc2)c(F)cc1C#N,CBMDYBCRCRXUEJ-UHFFFAOYSA-N
rxn:5:190194:225452:228114,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(OC3C=CCCC3)cc2)ccc1C#N,HXGDMVDKBQXCRG-UHFFFAOYSA-N
rxn:5:190194:225454:228114,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCN(C)CC3)cc2)ccc1C#N,ZOZGHYDEZOGFCJ-UHFFFAOYSA-N
rxn:5:190194:225454:228118,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCN(C)CC3)cc2)c1C#N,KGRAQRSZRAPCSF-UHFFFAOYSA-N
rxn:5:190194:225454:228128,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCN(C)CC3)cc2)cc1C#N,VDSZXRKJHAYJLN-UHFFFAOYSA-N
rxn:5:190194:227524:225452,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(OC3C=CCCC3)cc2)c(F)cc1C#N,PXIFKHLOYTULRY-UHFFFAOYSA-N
rxn:5:190194:228114:225452,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(OC3C=CCCC3)cc2)ccc1C#N,PNPSTAIRUUZADX-UHFFFAOYSA-N
rxn:5:190194:228114:225454,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCN(C)CC3)cc2)ccc1C#N,VBZHNHMHPOVDPN-UHFFFAOYSA-N
rxn:5:190194:228114:225465,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCN(C)CC3)c2)ccc1C#N,GWJRCJBFLMEEJW-UHFFFAOYSA-N
rxn:5:190194:228118:225454,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCN(C)CC3)cc2)c1C#N,XQNADUIUUWQFRH-UHFFFAOYSA-N
rxn:5:190194:228118:225456,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCN(C)CC3)cc2)c1C#N,NPKZDWALITZELT-UHFFFAOYSA-N
rxn:5:190194:228118:225465,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCN(C)CC3)c2)c1C#N,WZCGGDOBPMUGLR-UHFFFAOYSA-N
rxn:5:190194:228128:225454,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCN(C)CC3)cc2)cc1C#N,SIURQZWMZXCLLM-UHFFFAOYSA-N
rxn:5:190194:228128:225465,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(C3CCN(C)CC3)c2)cc1C#N,DFOSMRLZQUHZOG-UHFFFAOYSA-N
rxn:5:190459:226900:225466,CC1CCCCN1c1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)CCS2)cc1,OGRCBMUTEWXWAV-UHFFFAOYSA-N
rxn:5:190459:226901:226732,N#Cc1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cccc(S(F)(F)(F)(F)F)c3)CCS2)cc1C(F)(F)F,PZGRJXKEGXQWLJ-UHFFFAOYSA-N
rxn:5:190484:226880:228071,O=C(c1cccc(-c2cc(F)c(F)c(C(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2cccc3c2OCCO3)S(=O)(=O)CC1,BTRAUPVAJLOPHH-UHFFFAOYSA-N
rxn:5:190484:227563:228066,O=C(c1cccc(-c2cccc(CC(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)OCCO3)S(=O)(=O)CC1,NVHQWRNBUMJFFS-UHFFFAOYSA-N
rxn:5:190484:227659:227203,Cc1c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)OCCCO5)S(=O)(=O)CC3)c2)cccc1C(F)(F)F,KJRHPVQAJZKUNO-UHFFFAOYSA-N
rxn:5:190681:226836:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cn(C(C)C)nc1C(F)(F)F)c(OC(C)=O)cn2C(C)=O,HIJNUTFRFPAIBJ-UHFFFAOYSA-N
rxn:5:190799:223082:226188,CNS(=O)(=O)c1c(C)cc(-c2c(-c3cc(C)c([Si](C)(C)C)cc3C)ccc3c2ccn3C(=O)OC(C)(C)C)cc1C,PLYPMGGQPABFLG-UHFFFAOYSA-N
rxn:5:190832:227766:226837,CCOC(=O)c1cnc2cc(C)c(-c3cc(C(F)(F)F)nn3CC)c(C)c2c1-c1c(C)nn(CC(F)(F)F)c1C,QWCWDTFLDCVGON-UHFFFAOYSA-N
rxn:5:190833:223389:228717,Cc1nn(C2CC2)cc1-c1ccc(-c2c(C)n[nH]c2C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2=O,AFIDHGGJOIMYMR-UHFFFAOYSA-N
rxn:5:191026:226910:226188,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,DTGGMUKSOZUUJM-UHFFFAOYSA-N
rxn:5:191026:226910:227353,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,HWTMHQJXIPGLIY-UHFFFAOYSA-N
rxn:5:191026:226910:227979,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(C)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,SAGJGSQOBXGRNF-UHFFFAOYSA-N
rxn:5:191026:226910:228000,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c(C)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,KOIQSXNUHCPBLQ-UHFFFAOYSA-N
rxn:5:191026:227989:227353,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(OC)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HOABIMJKBHUZOI-UHFFFAOYSA-N
rxn:5:191026:227989:227705,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,AWGVLEWWWIVXBX-UHFFFAOYSA-N
rxn:5:191026:228518:226188,CC#Cc1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,BBBREPQBDTZCAY-UHFFFAOYSA-N
rxn:5:191049:227989:226188,CC#Cc1ccc(F)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc2OC)C(=O)CO3)c1,AJTWQNYCHQYTDO-UHFFFAOYSA-N
rxn:5:192235:226836:226835,COc1cc(-c2cn(C(C)C)nc2C(F)(F)F)c(-c2cc(C(F)(F)F)nn2C(C)C)cc1S(N)(=O)=O,VVJFQTUTPLYVDW-UHFFFAOYSA-N
rxn:5:192235:226837:226036,COc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(-c2cc(C(F)(F)F)cc(F)c2OC)cc1S(N)(=O)=O,YHAKYMQYOOBTDW-UHFFFAOYSA-N
rxn:5:192571:225987:225986,O=C(c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCC1,KJLDKCOGUFJMNB-UHFFFAOYSA-N
rxn:5:193051:226837:226573,Cc1nc(OC(C)(C)C)ncc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1CN1CCCC1=O,ADMBRCSXNYIWJS-UHFFFAOYSA-N
rxn:5:193382:225616:227804,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c1)N1CCCC1,NUKWNZCCEGABAN-UHFFFAOYSA-N
rxn:5:193382:226652:222418,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(S(N)(=O)=O)cc3)c2)n(C2CCCCO2)n1,WISTYZJOWBFLSS-UHFFFAOYSA-N
rxn:5:193382:227804:226332,O=C(c1ccccc1-c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1S(=O)(=O)N1CCOCC1)N1CCC1,LHVJQQHMOQWSES-UHFFFAOYSA-N
rxn:5:193462:225438:226901,CC(c1ccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(CN3CCC(=O)CC3)c2)cc1)N1CCCC1,DNCNJXWCJONNME-UHFFFAOYSA-N
rxn:5:193462:226332:226899,O=C1CCN(Cc2cc(-c3ccccc3C(=O)N3CCC3)ccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,PGWGQOJZSUYHEL-UHFFFAOYSA-N
rxn:5:193462:227799:226654,CC1CCN(c2nc(-c3ccc(-c4cnc(C(F)(F)F)c(F)c4)cc3CN3CCC(=O)CC3)cs2)CC1,VSCXUGUPQSEWKU-UHFFFAOYSA-N
rxn:5:193465:223113:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc2c(c1)C(C)(C)C(=O)N2,MTUVYKGORFSBNH-KRWDZBQOSA-N
rxn:5:193465:225815:226064,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCCCC3)cc2)c1-c1ccc(C2CC2)cc1C(F)(F)F,FEAZDHMFCPMKHX-QFIPXVFZSA-N
rxn:5:193465:225986:226864,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)c(OC(F)F)c(F)c2)c1-c1ccccc1N1CCCS1(=O)=O,LWWDNTHNSBVHEK-KRWDZBQOSA-N
rxn:5:193465:226332:225987,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1-c1ccccc1C(=O)N1CCC1,WFEPJGQPHHMEBA-QFIPXVFZSA-N
rxn:5:193465:227707:225584,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1ccccc1OC(F)(F)F,ZSFIVRHYXJDLMV-FQEVSTJZSA-N
rxn:5:193465:227777:226054,C[C@H]1CCCN1C(=O)c1cccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c1-c1cc(F)c(F)cc1[N+](=O)[O-],HPSOUPYXYHVZNS-LBPRGKRZSA-N
rxn:5:193465:227784:225616,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1cc(F)c(F)c([N+](=O)[O-])c1,DCFFPACODZFOBO-SFHVURJKSA-N
rxn:5:193465:228498:225926,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1cn(C)nc1C(F)(F)F,SVMGJRBRZHSRFP-KRWDZBQOSA-N
rxn:5:193466:225986:227563,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(CC(F)(F)F)c2)cc1-c1ccccc1N1CCCS1(=O)=O,VWBLEKNHIWUQBN-HXUWFJFHSA-N
rxn:5:193467:226046:227095,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CC(=O)C3)cc2)ccc1-c1ccnc(C(F)(F)C(F)(F)F)c1,GFDOZEJDSBVMSH-KRWDZBQOSA-N
rxn:5:193467:226047:227501,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1ccc(OC(F)(F)F)c(F)c1F,RHZMVSSXKLZPCZ-INIZCTEOSA-N
rxn:5:193467:226048:223216,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1-c1c(F)ccc(F)c1OC(F)(F)F,DIRDXESPVRKENY-HNNXBMFYSA-N
rxn:5:193467:226053:226966,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(=O)CCC3)ccc1-c1ccc(F)c(OC(F)(F)F)c1F,WKVBWBPDXVLWEQ-INIZCTEOSA-N
rxn:5:193467:226774:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1ccc(OC(F)=C(F)F)cc1,UXHUCLZBIHTIEL-IBGZPJMESA-N
rxn:5:193467:226882:226779,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)C(F)(F)F)cc2)ccc1-c1ccc(C(F)(F)F)c(F)c1F,JNGNZAMZKYESEX-AWEZNQCLSA-N
rxn:5:193467:227563:225447,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC3CCCCC3)cc2)ccc1-c1cccc(CC(F)(F)F)c1,VXGFBIQLFWYINB-QFIPXVFZSA-N
rxn:5:193467:227707:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccccc1OC(F)(F)F,JJZMKBHAMNFGSB-IBGZPJMESA-N
rxn:5:193467:227756:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1c(F)cccc1C(F)(F)F,SPUXYMIWRFCIBH-SFHVURJKSA-N
rxn:5:193467:227795:225583,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1ccc(F)c([N+](=O)[O-])c1F,QSCYRLUGTMUVPI-SFHVURJKSA-N
rxn:5:193468:225589:227552,C[C@H]1CCCN1C(=O)c1c(-c2ccc(CN3CCSCC3)cc2)cccc1-c1ccccc1CC(F)(F)F,PJPVOZIDHUUMBN-QFIPXVFZSA-N
rxn:5:193468:225985:226774,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC(F)=C(F)F)cc2)cccc1-c1cccc(N2CCCS2(=O)=O)c1,ARZGLTXGBSIHCR-IBGZPJMESA-N
rxn:5:193468:226190:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1ccc(C2CCCC2)cc1F,UAEKUQIANVPTFV-IBGZPJMESA-N
rxn:5:193468:226332:226469,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)N(C)C(=O)CO3)cccc1-c1ccccc1C(=O)N1CCC1,CTUNTLUKEPQOCX-FQEVSTJZSA-N
rxn:5:193469:223145:226886,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1-c1cc(F)c(C(F)(F)F)c(F)c1,GAXMDROOKJDURL-ZRTDVJLTSA-N
rxn:5:193506:225584:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,GFOSRFJUFQHNKV-UHFFFAOYSA-N
rxn:5:193506:225871:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4C(=O)C=CC4=O)c3)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,PIQGMMSCDCTLDQ-UHFFFAOYSA-N
rxn:5:193506:225926:227187,CN1Cc2c(cccc2-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)C1=O,ZCNMVNHZPGFOSO-UHFFFAOYSA-N
rxn:5:193506:225986:229147,COCn1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2S(=O)(=O)N2CCC(=O)CC2)n1,FLZAFGLICIUGAZ-UHFFFAOYSA-N
rxn:5:193506:226333:227183,CN1Cc2cc(-c3cc(-c4cccc(C(=O)N5CCC5)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)ccc2C1=O,MBDHXMCYTQINAT-UHFFFAOYSA-N
rxn:5:193506:226571:229056,CC(C)n1nccc1-c1cc(-c2cnn(CC3CCOCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,VRGVWIYZEPXGIM-UHFFFAOYSA-N
rxn:5:193506:226665:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,FCWRXVJKBSIWOL-UHFFFAOYSA-N
rxn:5:193506:226739:228077,CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)C(=O)OC4)c2)cc1[N+](=O)[O-],RSWNIJMAHNPPAE-UHFFFAOYSA-N
rxn:5:193506:226835:228680,CCCn1nc(C)cc1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,HDEKPEWHQQCKHV-UHFFFAOYSA-N
rxn:5:193506:227863:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2ccc3c(c2)CCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,VGNRPQDEEMKJEP-UHFFFAOYSA-N
rxn:5:193506:228077:226738,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2S(=O)(=O)N2CCC(=O)CC2)c([N+](=O)[O-])c1,IGYWFDQEMKLSOV-UHFFFAOYSA-N
rxn:5:193506:228498:228193,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCC4)c3)c2)c(C(F)(F)F)n1,GSPBIEPXXYJFBH-UHFFFAOYSA-N
rxn:5:193506:228502:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2nn(C)cc2C(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,LVDRNZPOFOBHCK-UHFFFAOYSA-N
rxn:5:193506:229091:226652,CC(=O)c1occc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C)nn2C2CCCCO2)c1,AHLHKKNTPUTYDB-UHFFFAOYSA-N
rxn:5:193506:229168:226686,COc1nc(C)sc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2c(C)cnn2C2CCCCO2)c1,IYIFKRRTRTYDJP-UHFFFAOYSA-N
rxn:5:193748:226901:227552,CC1CCCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccccc2CC(F)(F)F)C1,BPWLVIHHBZQDRH-UHFFFAOYSA-N
rxn:5:193756:228016:226900,CC1CCCCN1C(=O)c1ccc(-c2cc(C3CCCC3)cs2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,SYYFZLWXAYGLRT-UHFFFAOYSA-N
rxn:5:193807:225394:226464,COc1ccc2c(c1-c1cccc(CN3CCC(C)CC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,YZZIEGHJCQBTRS-UHFFFAOYSA-N
rxn:5:193869:228455:227767,CCn1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cnc(OC)nc3OC)cc2C)c(C(F)(F)F)n1,FIXPNSCTMQZCBI-UHFFFAOYSA-N
rxn:5:193870:223438:226572,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCCC3)nc2)cc1-c1cn[nH]c1C(F)(F)F,WVEIXKFPMADAHW-UHFFFAOYSA-N
rxn:5:193870:228455:226837,COc1ncc(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)c(S(=O)(=O)N3CCCCC3)cc2C)c(OC)n1,KWIQBQFVBPEKPB-UHFFFAOYSA-N
rxn:5:193912:226900:227450,O=C1CS(=O)C(c2ccc(-c3cccc(C4CC4(F)F)c3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,GIRJZBYMSKIZHD-UHFFFAOYSA-N
rxn:5:193968:223389:228653,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cnn3c2CCCC3)c(CN2CCC3(CC2)OCCO3)c1,JZDYOUAESMEOCR-UHFFFAOYSA-N
rxn:5:193968:226971:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,XNVAHSRYHYMVTF-UHFFFAOYSA-N
rxn:5:193968:226971:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,WQWPVUAGJQYWSG-UHFFFAOYSA-N
rxn:5:193972:227203:226836,Cc1cc(-c2ccc3c(c2)OCCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,BDTXMMGOTWSGCM-UHFFFAOYSA-N
rxn:5:193972:228102:226836,Cc1cc(-c2cncnc2CC(C)C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,AAXYSOQSHVHFKY-UHFFFAOYSA-N
rxn:5:193972:228194:228498,Cc1cc(-c2c(C)nn(C(C)C)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn(C)nc1C(F)(F)F,YUUTWLJAOGUCOO-UHFFFAOYSA-N
rxn:5:194414:223000:226464,COc1ccc2c(c1-c1c(-c3ccc(C4CCCNC4)c(F)c3)ccc3c1CCN3CC1CC1)OCCO2,JQLGLPADVYEFND-UHFFFAOYSA-N
rxn:5:194414:225452:226464,COc1ccc2c(c1-c1c(-c3ccc(OC4C=CCCC4)cc3)ccc3c1CCN3CC1CC1)OCCO2,MWOVDAODJCXQIZ-UHFFFAOYSA-N
rxn:5:194414:226464:225452,COc1ccc2c(c1-c1ccc3c(c1-c1ccc(OC4C=CCCC4)cc1)CCN3CC1CC1)OCCO2,OTVVBDQGBMCKGX-UHFFFAOYSA-N
rxn:5:194561:226777:227895,Cc1cc(-c2ccc(-c3ccc(C=CC#N)cc3)c(C(=O)N3C4CCC3COC4)c2)cc(OC(F)F)c1F,APFWDMWHISTHIV-UHFFFAOYSA-N
rxn:5:194561:226900:226732,N#Cc1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)cc1C(F)(F)F,GDIGPRIXOVVKAV-UHFFFAOYSA-N
rxn:5:194561:226900:227715,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(F)cc(OC(F)F)c1)N1C2CCC1COC2,LVLYHWPZGFHQIH-UHFFFAOYSA-N
rxn:5:194561:227663:226901,Cc1ccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3COC4)c2)cc1C(F)(F)F,YNOHYNFHXDWJQE-UHFFFAOYSA-N
rxn:5:194661:222990:226901,O=C1COc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2CN1Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1,YUTZARUNDYMQMA-UHFFFAOYSA-N
rxn:5:194733:226900:226976,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1c(F)ccc2ccccc12)N1C2CCC1CC(=C1CC1)C2,NDYBNVBEXLIFJE-UHFFFAOYSA-N
rxn:5:194733:226900:229201,Cc1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,YFXSZVXXHYYWGW-UHFFFAOYSA-N
rxn:5:194733:227665:227139,Cc1cc(-c2ccc(-c3cc4c(C#N)cccc4s3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1C(F)(F)F,CWLDDWFHXLUISN-UHFFFAOYSA-N
rxn:5:194733:227665:228531,Cc1cc(-c2ccc(-c3cccc4c3CCO4)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1C(F)(F)F,ZPOJJQAINMXEFB-UHFFFAOYSA-N
rxn:5:194733:227895:227665,Cc1cc(-c2ccc(-c3ccc(C=CC#N)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc1C(F)(F)F,LBXWDDFYJIWJOX-UHFFFAOYSA-N
rxn:5:194733:227985:228639,Cc1ccc(-c2ccc(-c3ccc(F)c(C(C)C)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c(C)c1F,HUAIFXAWRFEDAP-UHFFFAOYSA-N
rxn:5:194733:228529:227552,O=C(c1cc(-c2ccc3c(c2)CCO3)ccc1-c1ccccc1CC(F)(F)F)N1C2CCC1CC(=C1CC1)C2,BIBUAIURRFNVFF-UHFFFAOYSA-N
rxn:5:194733:228644:228434,Cc1cc(-c2ccc(-c3ccc(C(F)F)c(F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc(C)c1F,LIOHIZSQWUKKTI-UHFFFAOYSA-N
rxn:5:194733:229047:228133,Cc1sc(C)c(-c2ccc(-c3ccc(F)c(CC#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1C,RSNDBYZAVCQMAK-UHFFFAOYSA-N
rxn:5:194782:228531:227663,Cc1ccc(-c2ccc(-c3cccc4c3CCO4)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1C(F)(F)F,UWGSEEUFYOZJBR-UHFFFAOYSA-N
rxn:5:194792:226901:227895,N#CC=Cc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cccc(S(F)(F)(F)(F)F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1,NKBNKRURUCIKRQ-UHFFFAOYSA-N
rxn:5:196198:225583:225871,O=C(c1cccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)c1)N1CCCC1,WJUJACQWXXXCLB-UHFFFAOYSA-N
rxn:5:196533:225871:227610,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)CC(c4ccn(C5CCCCO5)n4)C3=O)cc2)c1,ZYSHZTIJIAPLLD-UHFFFAOYSA-N
rxn:5:196533:225926:226900,O=C1CC(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)N1c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1,LEZCNRHJKNXDNP-UHFFFAOYSA-N
rxn:5:196620:225873:225450,O=C(c1ccc(-c2ccc(N3CCCC3=O)c(-c3cccc(N4CCOCC4=O)c3)c2)cc1)C1CCCC1,KVQKXKBYSYUDHP-UHFFFAOYSA-N
rxn:5:196789:225450:226186,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccccc3C3CCOCC3)c2)cc1)C1CCCC1,GSJPTELSVUXTMD-UHFFFAOYSA-N
rxn:5:196791:227390:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccnn2C2CCCCC2)cccc1N1CCOCC1=O,JYDPDXWZSGLAJI-UHFFFAOYSA-N
rxn:5:196795:222995:226901,O=C1COCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2cccc(N3CCCC(O)C3)c2)c1,ZEPJIXBCNRXRAP-UHFFFAOYSA-N
rxn:5:196916:225438:226900,CC(c1ccc(-c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2N2CCCCC2=O)cc1)N1CCCC1,JRJQKKGZHXNYGE-UHFFFAOYSA-N
rxn:5:196918:226900:222990,O=C1CCCCN1c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc(N2CCC(O)CC2)cc1,JCIXJUMUGUOPBZ-UHFFFAOYSA-N
rxn:5:196923:227766:226028,CCn1nc(C(F)(F)F)cc1-c1ccc(N2CCCCC2=O)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,PYIOJXBNWXNPMU-UHFFFAOYSA-N
rxn:5:196970:223007:225833,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccnc(N3CCCCC3)c2F)cc(C2CCNCC2)c1,AQTMCPFVVRAHIK-UHFFFAOYSA-N
rxn:5:196970:226836:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCCCC2)c1-c1cn(C(C)C)nc1C(F)(F)F,VGQVDQPNFYZIKM-UHFFFAOYSA-N
rxn:5:196971:225833:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ncc1C1CCCCC1,MJSCKHMPKMIJCD-UHFFFAOYSA-N
rxn:5:196979:223002:223064,Fc1cc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,WSOZZKQSSYSVDW-UHFFFAOYSA-N
rxn:5:196979:223007:223064,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc(N3CCCCC3)c2)cc(C2CCNCC2)c1,DOHGELJGDXXZML-UHFFFAOYSA-N
rxn:5:197526:226035:226415,COc1ccc(C(F)(F)F)c(F)c1-c1ccc2c(c1-c1ccccc1N1CCOCC1)C(=O)CN2C(C)=O,YAGHFBVWVVAYOL-UHFFFAOYSA-N
rxn:5:197526:226054:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc2c1C(=O)CN2C(C)=O,REKQKKZKNAZDCZ-UHFFFAOYSA-N
rxn:5:197876:225601:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WPYBXDDVOUFBBQ-UHFFFAOYSA-N
rxn:5:197876:225601:226911,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QSKPTBFYDDHGSX-UHFFFAOYSA-N
rxn:5:197876:225601:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GENSHWRBNZZRRP-UHFFFAOYSA-N
rxn:5:197876:225602:226911,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BAPRXTGAJXFLKG-UHFFFAOYSA-N
rxn:5:197876:225602:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,HGQZENDJCVXABT-UHFFFAOYSA-N
rxn:5:197876:225603:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,YFMHFYOBGBYANR-UHFFFAOYSA-N
rxn:5:197876:225603:227830,CC1(c2ccc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,ULWUCMGUYBGGKN-UHFFFAOYSA-N
rxn:5:197876:225679:228521,Cc1cc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1C,QLQVOMNFNQROHT-UHFFFAOYSA-N
rxn:5:197876:226068:227830,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3(C)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,BLEJGSVYQBJRHP-UHFFFAOYSA-N
rxn:5:197876:226188:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DFLQELGVKPKFDS-UHFFFAOYSA-N
rxn:5:197876:226320:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PXLNYKMHUGVLDC-UHFFFAOYSA-N
rxn:5:197876:226326:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,YMPDLUNTFGQJGV-UHFFFAOYSA-N
rxn:5:197876:226331:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XPKBMSZIPOIHPK-UHFFFAOYSA-N
rxn:5:197876:226710:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ZVBZNIOHDZIPIE-UHFFFAOYSA-N
rxn:5:197876:226710:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OKRNFZVOHNXSFV-UHFFFAOYSA-N
rxn:5:197876:226837:227680,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cccc3c1OC(F)(F)O3)C(=O)N(C(C)(C)C)S2(=O)=O,RMJJFTXKMLFMJO-UHFFFAOYSA-N
rxn:5:197876:226920:226835,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,PQDWXBYEDYAZDZ-UHFFFAOYSA-N
rxn:5:197876:227079:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VOMVIYWFGDKQRD-UHFFFAOYSA-N
rxn:5:197876:227409:227024,CC(c1cccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,BXWPXNDWDFGIGU-UHFFFAOYSA-N
rxn:5:197876:227409:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VCHYRNUGVQEGDJ-UHFFFAOYSA-N
rxn:5:197876:227409:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YUMXDBLQPBRYSA-UHFFFAOYSA-N
rxn:5:197876:227412:227023,CC(c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,KFJPPZPZDDHAIA-UHFFFAOYSA-N
rxn:5:197876:227412:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CDQYGXZMBAPUMH-UHFFFAOYSA-N
rxn:5:197876:227412:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DRFRBWKIQULZFX-UHFFFAOYSA-N
rxn:5:197876:227415:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RAQNUDLTPPFBLI-UHFFFAOYSA-N
rxn:5:197876:227989:226188,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SCSHGUGULPFDEG-UHFFFAOYSA-N
rxn:5:197876:228430:226148,CSc1cc(F)c(-c2cc3c(cc2-c2cccc(C#C[Si](C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,OZXQIAOJDZVOAL-UHFFFAOYSA-N
rxn:5:197876:228437:226151,Cc1cc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,SVISFKRLMZFUEE-UHFFFAOYSA-N
rxn:5:197876:228461:226143,Cc1cc(-c2cc3c(cc2-c2cccnc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1OC(C)C,FPTKVSFZNCMGLS-UHFFFAOYSA-N
rxn:5:199279:226046:225986,CN1CCc2c(cc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccnc(C(F)(F)C(F)(F)F)c2)C1=O,ZZBIVBAOBZEBGD-UHFFFAOYSA-N
rxn:5:199279:226835:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(c(-c3cc(C(F)(F)F)nn3C(C)C)c1)CCN(C)C2=O,MRLVIHPQYAHAFQ-UHFFFAOYSA-N
rxn:5:199279:226837:225832,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc2c1CCN(C)C2=O,DVSWWKIXGCCDNB-UHFFFAOYSA-N
rxn:5:199281:226835:225986,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccccc1N1CCCS1(=O)=O)N(C)C(=O)CC2,CZMYLKZURCABNE-UHFFFAOYSA-N
rxn:4:173316:223695,CCOC(=O)CC(=O)Cc1ccccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,WYQFSRRGGWKCPI-UHFFFAOYSA-N
rxn:4:173372:223279,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,FQCIYWFZYNLAIX-UHFFFAOYSA-N
rxn:4:173572:223784,CCN1CCN(CCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2F)CC1,CBSIKPCHUBIXNX-UHFFFAOYSA-N
rxn:4:173761:223809,COC(=O)C(=O)CC(=O)c1cccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1,XZLXLDRHCIENSC-UHFFFAOYSA-N
rxn:4:173860:223528,CCCOc1ccc(OC(F)(F)F)cc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,MFIWDZZHOQXUEL-UHFFFAOYSA-N
rxn:4:173922:223606,COC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1C(=O)OC,NYQJCZXUQROTJF-UHFFFAOYSA-N
rxn:4:174161:222522,COC(=O)c1cc(F)c(OCC(C)C)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,YRVYAKLNLJITLC-UHFFFAOYSA-N
rxn:4:174663:222675,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1NC(=O)OC(C)(C)C,POECXDVVEOCBNM-LGYYHHAGSA-N
rxn:4:174663:223343,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1,AXXALESVXVVPBW-FVTPAXNCSA-N
rxn:4:174663:225583,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1,LCBCVRSHNFWFAN-BBSVBJGBSA-N
rxn:4:174663:226917,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc(C(C)(C)C)c1,MSXVPHVVOYBGNK-BBSVBJGBSA-N
rxn:4:174663:226985,CCCCOc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,UGQRTDXQSCWLHF-OTLVMJKUSA-N
rxn:4:174663:227158,Cc1c2c(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cccc2nn1C,BQMAJDBREJBVHC-LQTLMSLGSA-N
rxn:4:174663:227876,Cc1oc2ccccc2c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,YYIFOACSEWDIKK-QCTLADKUSA-N
rxn:4:174663:228411,COc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(F)c1F,OFGRQSBVBPAREV-HHMMATJQSA-N
rxn:4:174663:228468,Cc1c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cncc1[N+](=O)[O-],SHXSGOWRNVNCGB-VNSRODFNSA-N
rxn:4:174663:228710,CC(C)c1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,YTPSRDXRJIAYQM-MWUKLDBESA-N
rxn:4:174663:228816,Cc1nc(C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C)n1,MEIMIUCKLGWEGW-MWUKLDBESA-N
rxn:4:174663:229006,CSc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,FIZIADMGGPMMNM-XVDHNCDISA-N
rxn:4:174663:229155,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cn(C3CC3)nn2)cc1,ICLMZEKGQCRNHI-XCUCXUDLSA-N
rxn:4:174837:224830,COc1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1OS(=O)(=O)C(F)(F)F,AZTZSTGFMFGYFW-UHFFFAOYSA-N
rxn:4:174903:223696,COC(=O)c1cccc(C(=O)OC)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,NAOAFXIQAOYWQK-UHFFFAOYSA-N
rxn:4:175089:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)ccc2F)CC1,HBZRYURUGQKWJN-UHFFFAOYSA-N
rxn:4:175343:223527,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,PGDCHRKKCYTMHD-UHFFFAOYSA-N
rxn:4:175427:223753,COC(=O)c1ccc(OC2CCC2)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,XYZLKPJPKWXZKV-UHFFFAOYSA-N
rxn:4:175729:222588,OC1CCN(CCOc2ccc(-c3ccc(OCCC4OCCCO4)c(F)c3)cc2F)CC1,DULGFDWQALEBOB-UHFFFAOYSA-N
rxn:4:175729:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(OCCC4OCCCO4)c(F)c3)c2)C1,KKVMGOLREFKJRG-UHFFFAOYSA-N
rxn:4:175873:223810,Cc1cc(-c2ccc(C(=O)CCC3CCCC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,VRBQRFPARUWEDO-UHFFFAOYSA-N
rxn:4:175966:223761,COC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)ccc1S(=O)(=O)c1ccccc1C,WMRLPCAYTZUDEI-UHFFFAOYSA-N
rxn:4:176085:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(C(F)(F)F)c1,JNOZSYKTZUMFJS-UHFFFAOYSA-N
rxn:4:176119:223530,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2F)cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,JDQCSSTVAFIMDV-UHFFFAOYSA-N
rxn:4:176207:222655,COC(=O)CC[C@H]1CCc2cc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)ccc2O1,KJHPTDMUMCBANB-OAQYLSRUSA-N
rxn:4:176213:222514,CCOC(=O)CC1CCCc2ccc(-c3ccc(OC)c(S(=O)(=O)NC4CCCCC4)c3)cc21,DQWZOSZKKRGAKM-UHFFFAOYSA-N
rxn:4:176316:226087,CCCCCOc1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc1,HIJTYEILIJPXOE-UHFFFAOYSA-N
rxn:4:176316:227809,CCCCc1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc1,GVJPNUAYBNGNOO-UHFFFAOYSA-N
rxn:4:176602:223602,CCOC(=O)c1ccc(F)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c1,TYIWYIKWLOIOEJ-UHFFFAOYSA-N
rxn:4:176731:223520,COC(=O)c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1C(F)(F)F,VWDJWFBJEXJUAW-UHFFFAOYSA-N
rxn:4:177056:223695,CS(=O)(=O)CC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,TWSVEEWTZMIWBA-UHFFFAOYSA-N
rxn:4:177067:223606,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1C(C)=O,OYWGIGIXNDVGNY-UHFFFAOYSA-N
rxn:4:177158:223480,CCOC(=O)c1cc(C)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,DRTCYRJNVLUFOD-UHFFFAOYSA-N
rxn:4:177884:223502,CC(=O)c1ccc(Oc2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)cc1,LQJIHPCBRSMFLU-UHFFFAOYSA-N
rxn:4:178358:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4ccc(OC5CCCC5)cc4)cc3)cc2[N+](=O)[O-])CC1,IMXODLGORHHLFL-UHFFFAOYSA-N
rxn:4:178384:224072,COCCCOc1ccc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2c1,ZRTHZMDSHOVYKR-UHFFFAOYSA-N
rxn:4:178384:224470,COCCOc1ccc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2c1,MXBZWNCHJVRISE-UHFFFAOYSA-N
rxn:4:178384:227520,CC(C)Oc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cn1,RBESGOSCUCOSJB-UHFFFAOYSA-N
rxn:4:178881:223540,COC(=O)c1c(Cl)ccc(F)c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,HPZBLLFHJXEFMG-UHFFFAOYSA-N
rxn:4:179938:223504,COC(C)(C)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1,YUUZKSZDZQXENI-UHFFFAOYSA-N
rxn:4:180095:223598,Fc1cc(-c2ccc(Cl)c(OC3CCCC3)c2)ccc1OCCN1CCC2(CC1)OCCO2,NLZBDQIUPJYUPK-UHFFFAOYSA-N
rxn:4:180438:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4COCCO4)c(C4CC4)c3)c2)CC1,WECZORHXZXIEJX-UHFFFAOYSA-N
rxn:4:180492:222598,Cc1cc(-c2cc(C3CCCOC3)ccc2C2CC2)cc(C)c1S(=O)(=O)NC1CCCC1,OFBKOBKMEQLFNF-UHFFFAOYSA-N
rxn:4:181290:223480,CCc1ccc(F)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,XQRUOGYYSLNPGL-UHFFFAOYSA-N
rxn:4:182180:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)C(=O)C(C(F)(F)F)C3)CC1,QVNINRMOOSPIRM-UHFFFAOYSA-N
rxn:4:182367:222816,COc1ccc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc1S(=O)(=O)NC(C)C,QZDNMTQCQAMKQQ-UHFFFAOYSA-N
rxn:4:182409:224292,Cc1cc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)ccc1S(=O)(=O)OCC(C)(C)C,YLPNHRXREDLAHS-UHFFFAOYSA-N
rxn:4:182949:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1Cl)OCCC2=O,CJHHTLXBKILOHC-UHFFFAOYSA-N
rxn:4:183184:223480,Cc1cc(-c2ccc3c(c2)CC(C)(C)C3=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DOEYSNCZRUCYKS-UHFFFAOYSA-N
rxn:4:183273:229212,Cc1ccncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YVSGIKHFQDGPDR-UHFFFAOYSA-N
rxn:4:183274:228538,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2ccsc2c1,OUZQTVJXIPLICL-UHFFFAOYSA-N
rxn:4:183274:229072,CSc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,UBVSWDHGUVUEGD-UHFFFAOYSA-N
rxn:4:183274:229333,c1c[se]c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,MFJLYVHXWUPPKC-UHFFFAOYSA-N
rxn:4:183475:223696,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(F)c1[N+](=O)[O-],LQXMCTLLEKKLFZ-UHFFFAOYSA-N
rxn:4:183487:223790,CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1,HLFGGFWSOOUBLU-UHFFFAOYSA-N
rxn:4:183487:224368,CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,BTUXCBQVKYTSHM-UHFFFAOYSA-N
rxn:4:183624:224249,CCN(CC)C(=O)COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1F,MVEBMLHHQAXTNL-UHFFFAOYSA-N
rxn:4:183723:225585,FC(F)(F)Oc1ccc(-c2ccccc2CN2CCOCC2)c(OCCN2CCCC2)c1,BQIRBVAPPQCXTE-UHFFFAOYSA-N
rxn:4:183765:222424,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)C1,UQHRRMDOZNHUIZ-UHFFFAOYSA-N
rxn:4:183864:225571,COC(=O)CN1CCCC(COc2cccc(-c3ccc(C(=O)OC)cc3C3CC3)c2)C1,FDILIXSXTYMDPK-UHFFFAOYSA-N
rxn:4:183865:224588,COC(=O)CN1CCCC(COc2ccccc2-c2cc(F)cc(CN3CCC(C)CC3)c2)C1,DYBGCJHLPCMJER-UHFFFAOYSA-N
rxn:4:183876:226421,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2ccc(Cl)cc2N2CCCC2)C1,UOQMVYRVWBMABY-UHFFFAOYSA-N
rxn:4:183878:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)cc(OCC4CN(C(=O)OC(C)(C)C)C4)c3)ccc2F)CC1,BUOUPQCHBWHMTR-UHFFFAOYSA-N
rxn:4:183878:223761,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,SLZBOJRFTUDEPH-UHFFFAOYSA-N
rxn:4:183881:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3F)cc2)CC1,VCHUXKYMJIOESK-UHFFFAOYSA-N
rxn:4:183882:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2F)CC1,SVWIAEAAUMGUEC-UHFFFAOYSA-N
rxn:4:183882:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)c(F)cn2)CC1,GTNCWUOGAGRWFZ-UHFFFAOYSA-N
rxn:4:183890:228346,COC(=O)c1cc(-c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c(C)s1,SBFMLQISMCVAEI-UHFFFAOYSA-N
rxn:4:183944:224653,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2)C1,ZTBXNCGVGJBXBW-UHFFFAOYSA-N
rxn:4:183959:223526,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,NDARZAAIFLQEIJ-UHFFFAOYSA-N
rxn:4:183963:225218,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cnc(N2CCCC(C)C2)c(Cl)c1,BAFLYWRWZGYEKK-UHFFFAOYSA-N
rxn:4:183969:224820,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c(OC)c2)CC1,ATZJGZDBVBOMGY-UHFFFAOYSA-N
rxn:4:183969:225674,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CCCCC4)cc3F)c(OC)c2)CC1,STGSDTJEAHQSML-UHFFFAOYSA-N
rxn:4:184014:223659,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,UADMSJLVHWFBHJ-UHFFFAOYSA-N
rxn:4:184014:224274,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c2)CC1,JNMOOGVQQAQQGA-UHFFFAOYSA-N
rxn:4:184018:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,ZKMDAHJQZUQTKY-UHFFFAOYSA-N
rxn:4:184018:223650,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,ZFSGSMMZQUTDKJ-UHFFFAOYSA-N
rxn:4:184018:224161,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1,CJFILUCMCQWVMN-UHFFFAOYSA-N
rxn:4:184026:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,PVLGWPUMDHDXRK-UHFFFAOYSA-N
rxn:4:184029:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1F,GSBQQWYZPNZKNI-UHFFFAOYSA-N
rxn:4:184029:223578,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2F)CC1,FGXQTXXLONTGDL-UHFFFAOYSA-N
rxn:4:184029:225876,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(Cl)ccc3N3CCOCC3)c2F)CC1,CBYBDZYZDZMZTE-UHFFFAOYSA-N
rxn:4:184029:227447,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3c(F)ccc(C4CC4)c3F)c2F)CC1,ZFLPAOLFTFNLJT-UHFFFAOYSA-N
rxn:4:184030:223581,COC(=O)c1cccc2cc(-c3c(F)cccc3OCC3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,ROMLVPLZTDBJKG-UHFFFAOYSA-N
rxn:4:184068:224817,O=C(CCc1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1CC(S(=O)(=O)C2CCCCC2)C1,UODQBFKIHVIFMM-UHFFFAOYSA-N
rxn:4:184261:223695,COC(=O)COc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1C#N,PHGZXHGTQREPHR-UHFFFAOYSA-N
rxn:4:184525:223575,COC(=O)Cc1cc(OC)c(C#N)cc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,YGMRCXFFTRJHBQ-UHFFFAOYSA-N
rxn:4:184657:223952,COC(=O)c1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(OCC2CC2)n1,XULKIHLNVBMKGW-UHFFFAOYSA-N
rxn:4:184690:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1COC(=O)ON1C(=O)CCC1=O,YASVAISRRRHIAD-UHFFFAOYSA-N
rxn:4:184777:223589,COC(=O)c1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1OCc1ccccc1,GOMGJOSGFPFQDP-UHFFFAOYSA-N
rxn:4:184836:223970,CCN(CC)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(C(=O)OC)cc1F,JZUYQLZUPPVTDD-UHFFFAOYSA-N
rxn:4:184845:225988,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1c(F)cc(C2OCCO2)cc1F,JIJCGUWCSFNMOU-UHFFFAOYSA-N
rxn:4:184864:223559,COC(=O)C(c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1OC)N(C)C,BOLQKFUWUBBCRG-UHFFFAOYSA-N
rxn:4:184894:225155,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)SC1=S,CINPZGHQPUIDMK-UHFFFAOYSA-N
rxn:4:184901:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1OCCCN1CCCC1,WGVRTKXYNOOTIB-UHFFFAOYSA-N
rxn:4:184901:223835,Cc1cc(F)c(-c2ccccc2OCCCN2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1,WEDIKQHMFQZUEQ-UHFFFAOYSA-N
rxn:4:184985:224397,CC(C)C(=O)N1CC(COc2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)C1,YYYYAHOBPRNBTL-UHFFFAOYSA-N
rxn:4:185025:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,LDXYESIWFARSSE-UHFFFAOYSA-N
rxn:4:185027:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(SC4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,RWKNRXRHJIIULE-UHFFFAOYSA-N
rxn:4:185100:223999,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,NAVRCIZKTSAECG-UHFFFAOYSA-N
rxn:4:185108:224597,O=S(=O)(c1ccc(OCC2CC2)c(-c2cc(C3CC3)cc(N3CCOCC3)c2)c1)N1CCCC1,VGQLGFXLTYLUBD-UHFFFAOYSA-N
rxn:4:185145:222846,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)C1,UCBDQNYFQGZKKJ-UHFFFAOYSA-N
rxn:4:185145:224795,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N(CC)CC)c3)cc2)C1,WPUVPQYQPZEQTI-UHFFFAOYSA-N
rxn:4:185162:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C(F)(F)F)cc3C3CN(C(=O)OC(C)(C)C)C3)c(F)cn2)CC1,YBMWKCFURWADCP-UHFFFAOYSA-N
rxn:4:185162:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(F)(F)F)cc3C3CN(C(=O)OC(C)(C)C)C3)cc(F)c2F)CC1,PWNUUZMFURBVOI-UHFFFAOYSA-N
rxn:4:185164:223933,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)c2)C1,HRELNDZJOAIYJX-UHFFFAOYSA-N
rxn:4:185202:222971,COc1cc(-c2ccc(NC(=O)C(C)(C)C)cc2)ccc1C1CN(C(=O)OC(C)(C)C)C1,LMLUQGVRGMMCPC-UHFFFAOYSA-N
rxn:4:185203:223521,COc1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,VJVQHHFSTNJOPQ-UHFFFAOYSA-N
rxn:4:185208:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(Cl)cn1,ASYKLJFKIVFYRP-UHFFFAOYSA-N
rxn:4:185261:224760,CCN(C(=O)c1cc(OC)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1,ODJYYSXGIUGWER-UHFFFAOYSA-N
rxn:4:185261:225165,CCN(C(=O)c1cc(OC)ccc1-c1ccc(N2CCOCC2)c(OC)c1)C1CCCCC1,VAJBHWUKKIKRHG-UHFFFAOYSA-N
rxn:4:185271:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,INPCBZQJYOQLNK-UHFFFAOYSA-N
rxn:4:185307:223055,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(N2CCNCC2)nc1C,MHSHMAUSMHXYAN-UHFFFAOYSA-N
rxn:4:185307:224597,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C2CC2)cc(N2CCOCC2)c1,CTIONSNJSLFREU-UHFFFAOYSA-N
rxn:4:185313:222426,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,RATLXIHIECPROR-UHFFFAOYSA-N
rxn:4:185319:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(C2CC2)c1,IMBQHZGXHXDETC-UHFFFAOYSA-N
rxn:4:185352:223646,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,ZXXFPQQOKGQRBR-UHFFFAOYSA-N
rxn:4:185352:227300,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cncc(OC4CCC4)c3)cc2)CC1,QEMPYXLYFQNQQO-UHFFFAOYSA-N
rxn:4:185354:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccccc3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,IVIODFIMVNIITE-UHFFFAOYSA-N
rxn:4:185355:225218,CC1CCCN(c2ncc(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,RTAOHCKRHUKVIS-UHFFFAOYSA-N
rxn:4:185355:225947,CN1CCN(c2ncc(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,XXNOQZUNVQMRIT-UHFFFAOYSA-N
rxn:4:185381:224653,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)cc(C(F)(F)F)c2)C1,UXZVIVAOXANYOM-UHFFFAOYSA-N
rxn:4:185383:223637,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,LRNFQMXZAYCHPZ-UHFFFAOYSA-N
rxn:4:185384:222432,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)C1,XTZJQIVBKVKVLW-UHFFFAOYSA-N
rxn:4:185384:222944,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2ccc(S(=O)(=O)NC3CC3)cc2F)C1,CLAVNWTYVBDZSK-UHFFFAOYSA-N
rxn:4:185387:224271,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1,QNKUKDYGZLGPBW-UHFFFAOYSA-N
rxn:4:185388:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)c2)C1,FGAPUFSVOIAZIS-UHFFFAOYSA-N
rxn:4:185401:223201,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccccc1C1CCNC1,UCXIVJGTWZYBJU-UHFFFAOYSA-N
rxn:4:185405:225909,CCOc1ccc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,VQYZAVNLCXRRCT-UHFFFAOYSA-N
rxn:4:185407:223831,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,SZNCUDOQCJQCDZ-UHFFFAOYSA-N
rxn:4:185409:222432,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc(C3CC3)c2)C1,BKJKZNGAXRPOLX-UHFFFAOYSA-N
rxn:4:185413:225557,COC(=O)C1(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3OC)cc2)CC1,URCONOOWUUWCSV-UHFFFAOYSA-N
rxn:4:185413:227549,COC(=O)c1cc(Cl)ccc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1OC,GSKKWHQWHZGBTC-UHFFFAOYSA-N
rxn:4:185419:225665,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3ccc(Cl)cc3N3CCCCC3)c2)C1,WUQQVOKVKMCUOH-UHFFFAOYSA-N
rxn:4:185439:222812,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc(C2CC2)c1,RIKJTNYTYGTEFO-UHFFFAOYSA-N
rxn:4:185439:222929,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc(C2CC2)c1,FPFFSZAVVIZUPE-UHFFFAOYSA-N
rxn:4:185513:223951,Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c1,NKWKUIWOORSRBY-UHFFFAOYSA-N
rxn:4:185535:227381,COC(=O)[C@@H]1Cc2ccc(-c3cnc(C4CCCC4)nc3)cc2CN1C(=O)OC(C)(C)C,JHORURXNBSNKJG-NRFANRHFSA-N
rxn:4:185625:222522,COc1ccc(-c2ccc(-c3coc4cc(OCCN5CC(C)OC(C)C5)ccc4c3=O)cc2)cc1S(=O)(=O)N1CCC(O)CC1,GEAXTQLVHRHUNC-UHFFFAOYSA-N
rxn:4:186031:223941,COC(=O)Cc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,TVTGGEMLFPURKT-UHFFFAOYSA-N
rxn:4:186277:223597,COC(=O)Cc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1S(N)(=O)=O,ALLHKFTVAQHEGS-UHFFFAOYSA-N
rxn:4:186327:223505,CCOC(=O)c1cnc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LXHQCRDOHPLFFW-UHFFFAOYSA-N
rxn:4:186990:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)CC1,DZIZERKBDYPVRF-UHFFFAOYSA-N
rxn:4:187127:223606,O=C(CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1)N1CCCCC1,MZDFXVBZKQCGIC-UHFFFAOYSA-N
rxn:4:187132:224375,COC(=O)c1cc(C(=O)N2CCCCC2)cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c1,DZEPHYFHRNRAFF-UHFFFAOYSA-N
rxn:4:187183:222588,COC(=O)C1CCN(Cc2ccccc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,KHUIANNOHRSUMW-UHFFFAOYSA-N
rxn:4:187189:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1,ZFOOMARPBWUUQS-UHFFFAOYSA-N
rxn:4:187198:224753,COC(=O)c1cc(CN2CCCCC2)cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1,OPTKAVPJGPYEGB-UHFFFAOYSA-N
rxn:4:187214:224372,CC(C)(C)OC(=O)N1CC(c2cc(F)cc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)c2)C1,FBVSYIHEANBLQU-UHFFFAOYSA-N
rxn:4:187311:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(Cl)cc(F)c1OCCN1CCCC(C)C1,LDPFRHMFOGOWSU-UHFFFAOYSA-N
rxn:4:187311:223840,COc1ccc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C)C2)cc1S(=O)(=O)N1CCN(C)CC1,OOUQXTSFESPFCY-UHFFFAOYSA-N
rxn:4:187380:225163,CC1CCCCN1C(=O)CS(=O)(=O)c1ccccc1-c1ccccc1C(=O)N1CCOCC1,VZTKFAWTJNZVSV-UHFFFAOYSA-N
rxn:4:187413:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)c1,KRVZXYDKGBRARE-UHFFFAOYSA-N
rxn:4:187415:224290,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)o2)CC1,KSELQRLKMHPLOO-UHFFFAOYSA-N
rxn:4:187419:223761,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)ccc1C1CN(C(=O)OC(C)(C)C)C1,REXJMAMNQUXELD-UHFFFAOYSA-N
rxn:4:187421:223761,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,UQDZJJULJAEGIV-UHFFFAOYSA-N
rxn:4:187437:223593,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,JJCONKKAYWGNEX-UHFFFAOYSA-N
rxn:4:187437:223774,COc1cccc2c1cc(-c1cc(C)ccc1C1CN(C(=O)OC(C)(C)C)C1)n2C(=O)OC(C)(C)C,IHDDFOZEUQIHNF-UHFFFAOYSA-N
rxn:4:187438:223933,Cc1cc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,MGTQJQZBVVWPFN-UHFFFAOYSA-N
rxn:4:187488:225657,CCOc1ccc(-c2ccc(N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZBFFBQLHAIXTGI-UHFFFAOYSA-N
rxn:4:187489:222848,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(CC)nc(C2CCCNC2)c1,GRMWDWZNBHHCKL-UHFFFAOYSA-N
rxn:4:187489:225876,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(Cl)ccc1N1CCOCC1,BHIBFCHJFNZRCH-UHFFFAOYSA-N
rxn:4:187542:223970,COc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(OC)c1CN1CCC(C)CC1,YWZFKEPPTZDWOP-UHFFFAOYSA-N
rxn:4:187557:225998,COC(=O)c1cc(-c2ccc([C@H]3CCCC(=O)N3C(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1,MTSRTEKJPPNCEA-HXUWFJFHSA-N
rxn:4:187573:223888,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)CC1,COZYFHAODWBSNU-UHFFFAOYSA-N
rxn:4:187573:224356,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)c2)CC1,DPJIQNKNFHPLRI-UHFFFAOYSA-N
rxn:4:187575:223931,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)C1,UOIAVVFBOQMSHN-UHFFFAOYSA-N
rxn:4:187576:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,WXNHDZSSRCFZPT-UHFFFAOYSA-N
rxn:4:187579:223506,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OUTHWBOMHXNQSL-UHFFFAOYSA-N
rxn:4:187580:222432,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1,CWKZIIRGJXCFBU-UHFFFAOYSA-N
rxn:4:187580:223635,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1,REINKAWZRXAFMY-UHFFFAOYSA-N
rxn:4:187581:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(Cl)c1,NZRSAQZRJQVDRH-UHFFFAOYSA-N
rxn:4:187582:226502,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccn(C(=O)OC(C)(C)C)c3)c2)CC1,PGKJPWQTELUPQE-UHFFFAOYSA-N
rxn:4:187586:225876,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(Cl)ccc3N3CCOCC3)cc2Cl)C1,QEKKKILULNQYLB-UHFFFAOYSA-N
rxn:4:187589:223480,Cc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DBROVRFIKQMQER-UHFFFAOYSA-N
rxn:4:187594:222432,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)c2)C1,JDBFNWHDJYMLKA-UHFFFAOYSA-N
rxn:4:187594:224157,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)C1,HQHNWKOPZHVBJH-UHFFFAOYSA-N
rxn:4:187595:223492,Cc1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZRXXAHFZVMLNPT-UHFFFAOYSA-N
rxn:4:187595:226413,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cccc(N4CCOCC4)c3)c2)CC1,PMINQOUXBCRLBW-UHFFFAOYSA-N
rxn:4:187639:223904,Cc1ccc(N(C(=O)c2ccccc2-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)C2C=CS(=O)(=O)C2)cc1C,YKXKBWKYRGDFCA-UHFFFAOYSA-N
rxn:4:187655:223894,CN1CCN(CCCOc2cccc(-c3cc(CN(C)C4CCCC4)cc(C(C)(C)C)c3)c2)CC1,BXZIAQDCUXFHOK-UHFFFAOYSA-N
rxn:4:187681:222412,CNC(=O)Nc1ccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,BOZUMZZNSOCTMW-UHFFFAOYSA-N
rxn:4:187681:224356,Cc1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,XZSCRDIJCLEFKO-UHFFFAOYSA-N
rxn:4:187910:222466,CSC1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,SXFHUCBHTVGETH-UHFFFAOYSA-N
rxn:4:187944:224960,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1OC1CCCC1,FPSBUKWMJFDBMK-UHFFFAOYSA-N
rxn:4:188333:223659,CCOC(=O)c1nc(C)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)s1,ACKWAZZFWFYUAN-UHFFFAOYSA-N
rxn:4:188399:223606,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1F,LDVIBBDYWNCQSW-UHFFFAOYSA-N
rxn:4:188461:223696,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1Cl,VJBZUUDGTFUXDH-UHFFFAOYSA-N
rxn:4:188756:223493,COC(=O)c1cc(C)cc(C#N)c1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,DEROBJKTQFZXCG-UHFFFAOYSA-N
rxn:4:188900:223597,CCS(=O)(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c([N+](=O)[O-])c1,QYFJNLKOWJOVDD-UHFFFAOYSA-N
rxn:4:188932:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C(=O)OC)cc(Cl)c3S(N)(=O)=O)c2)CC1,XVJYTXZNJIJOFV-UHFFFAOYSA-N
rxn:4:189702:224684,CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)o2)C1,WJABHFWMVBXGFN-UHFFFAOYSA-N
rxn:4:189719:222465,O=[N+]([O-])c1c(F)cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OC1CCOCC1,KAZJACBULYEACF-UHFFFAOYSA-N
rxn:4:189766:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)N2CCC(F)(F)C2)cc1C(F)(F)F,NCCBVDMNMVFDFA-UHFFFAOYSA-N
rxn:4:189791:223499,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=N)(=O)C1CCC1,XUMHKVSUQHRTJW-UHFFFAOYSA-N
rxn:4:189791:223883,COc1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1S(=N)(=O)C1CCC1,BQFYXWNRXRZILY-UHFFFAOYSA-N
rxn:4:189791:223885,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1S(=N)(=O)C1CCC1,KKGKTSIMCTURQB-UHFFFAOYSA-N
rxn:4:189856:224397,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1N1CCCS1(=O)=O,FBMNULZZLWZTJF-UHFFFAOYSA-N
rxn:4:189926:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)CC1,VQAKZDVREBFYQP-UHFFFAOYSA-N
rxn:4:189943:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccccc2CS(=O)(=O)N2CCOCC2)c1,AJJDLQVTEDFZRE-UHFFFAOYSA-N
rxn:4:189973:225684,Cc1nc(C2CCOCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,NIJDIBRBZDRRNN-UHFFFAOYSA-N
rxn:4:190005:223536,CN(C(=O)c1cccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F)C1CCCC1,UJUCCTHNIQFQFP-UHFFFAOYSA-N
rxn:4:190171:227610,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2ccn(C3CCCCO3)n2)C(=O)O1,IBIUKVHSKXNFCR-UHFFFAOYSA-N
rxn:4:190271:223998,CC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,AHMPAKMTDXDGFF-UHFFFAOYSA-N
rxn:4:190408:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])c2)CC1,ZOWTXUGBIMOKPN-UHFFFAOYSA-N
rxn:4:190441:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,TYJXUOKFKJDMPA-UHFFFAOYSA-N
rxn:4:190798:223480,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GGBHYPUWLTZPTG-UHFFFAOYSA-N
rxn:4:190823:224162,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)ccc2C1=O,HNUBIZUUPDRSBZ-UHFFFAOYSA-N
rxn:4:190833:223883,CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2C1=O,INWBURNKTNYUPB-UHFFFAOYSA-N
rxn:4:190849:223525,CCCCN1Cc2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2OCC1=O,LKEZCUHATXOHFJ-UHFFFAOYSA-N
rxn:4:190931:225890,CC(C)(C)OC(=O)N1CCC(=O)c2cc(-c3cnn(COCC[Si](C)(C)C)c3)ccc21,HUUFADZZBXXVOF-UHFFFAOYSA-N
rxn:4:190933:224290,CC1c2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2C(=O)N1C(=O)OC(C)(C)C,DZOITIKESLZAAR-UHFFFAOYSA-N
rxn:4:190948:222948,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2S1(=O)=O,AGHMYZBRICHUCP-UHFFFAOYSA-N
rxn:4:190948:223592,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)ccc2S1(=O)=O,GQTWZOFOROFDPT-UHFFFAOYSA-N
rxn:4:190991:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)CC1,NJPMRHRCEZNSDV-UHFFFAOYSA-N
rxn:4:191031:223594,CC(C)(C)OC(=O)N1CCc2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2CC1,CJXQRGLOKPDDFH-UHFFFAOYSA-N
rxn:4:191043:226619,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cnc(N5CCCC5)nc4C)ccc3C2=O)CC1,FWCFWPLBPUXRPV-IRJFHVNHSA-N
rxn:4:191043:226746,CCc1cnc(C(F)(F)F)cc1-c1ccc2c(c1)CN([C@H]1CC[C@H](C(=O)OC)CC1)C2=O,DORQPDPWLVXRKU-RZDIXWSQSA-N
rxn:4:191104:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)c2)CC1,LAGXLAPETHYWRZ-UHFFFAOYSA-N
rxn:4:191115:223683,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc1O2,MQGGNXSSJLWZJF-UHFFFAOYSA-N
rxn:4:191117:222892,COc1cc(N2CCNCC2)ccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,VSKPGFVPYIVAQF-UHFFFAOYSA-N
rxn:4:191118:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,CTZPZKPNHRAQRH-UHFFFAOYSA-N
rxn:4:191119:226829,Cc1cc(C(F)(F)F)cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1Cl,NFWDSJLLNIVKNC-UHFFFAOYSA-N
rxn:4:191119:227667,CC(=O)c1ccc(F)c(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1F,FREPPLQXOVHKHG-UHFFFAOYSA-N
rxn:4:191120:223818,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc1C2=O,LGTOLCHBUGLFOX-UHFFFAOYSA-N
rxn:4:191120:225294,CCN1CCN(c2ncc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)cn2)CC1,MFFSUQPCXPFHDK-UHFFFAOYSA-N
rxn:4:191123:223636,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)c32)CC1,WFQBYIILTKKZLN-UHFFFAOYSA-N
rxn:4:191123:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,NAKDPRFLVYCMON-UHFFFAOYSA-N
rxn:4:191125:223581,COC(=O)c1cccc2cc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,PEWZFEHQFIHKID-UHFFFAOYSA-N
rxn:4:191129:223937,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)ccc3O2)CC1,FNMZXWPXFKKDQB-UHFFFAOYSA-N
rxn:4:191390:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C(=O)C(F)(F)F)n3)cc2Cl)CC1,UNZZLHWPKYQPQA-UHFFFAOYSA-N
rxn:4:192097:223696,CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],IZMCGNHJKSHJGO-UHFFFAOYSA-N
rxn:4:193139:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3CN3CCCC3)cc2)CC1,DQXUGPGKHPYVBB-UHFFFAOYSA-N
rxn:4:193195:223695,C=C1CCCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)o2)C1,YLVIFLTXTOZGSM-UHFFFAOYSA-N
rxn:4:193497:223696,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCS(=O)(=O)CC1,RVVRTICDWFUSGT-UHFFFAOYSA-N
rxn:4:193500:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)C1,NLKMZEBVGCFZCR-UHFFFAOYSA-N
rxn:4:193687:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,GLWUCKMDEUBELA-UHFFFAOYSA-N
rxn:4:193778:224397,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c1,JNGLWWGKASSJLF-UHFFFAOYSA-N
rxn:4:193828:224393,O=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1)N1CCCCCC1,QDVKEALLAHBRIH-UHFFFAOYSA-N
rxn:4:193874:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,ACSNBFVBVPKVCP-UHFFFAOYSA-N
rxn:4:193968:225188,Clc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1CN1CCOCC1,OPUUKHQVOLDDJN-UHFFFAOYSA-N
rxn:4:193975:225269,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCS3)c(C(=O)OC)c1,STVOHPPNRZKGTK-UHFFFAOYSA-N
rxn:4:193997:223999,Cc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,XUDCHSFYQBSHCC-UHFFFAOYSA-N
rxn:4:193998:223597,Cc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(S(=O)(=O)N2CCCCCC2)cc1C,RZHLXXIBNISQME-UHFFFAOYSA-N
rxn:4:194197:223531,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c2oc(C)nc2c1,CJJCSKCFJZEFCM-UHFFFAOYSA-N
rxn:4:194197:223536,COC(=O)c1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2oc(C)nc2c1,RNFNYLYVFODGBZ-UHFFFAOYSA-N
rxn:4:194528:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc4c3CCN(C(=O)C3CC3)C4)c2)CC1,QBOOOHCLVSNAOW-UHFFFAOYSA-N
rxn:4:194528:223810,Cc1cc(-c2cccc3c2CCN(C(=O)C2CC2)C3)cc(C)c1S(=O)(=O)N1CCC(C)CC1,SKYTYEYPLWGXSW-UHFFFAOYSA-N
rxn:4:194709:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc2c(c1)N(CC1CCCCC1)C(=O)CO2,HYMDLHOGJHDQQQ-UHFFFAOYSA-N
rxn:4:194730:224101,COC1CCN(C2CCc3cc(-c4cccc(OCCN5CCC(C)CC5)c4)ccc32)CC1,VPMANGXTZRXTBA-UHFFFAOYSA-N
rxn:4:194730:224494,COC1CCN(C2CCc3cc(-c4ccc(CCOC5CCCCO5)cc4)ccc32)CC1,ALGFGTOPZSNEPG-UHFFFAOYSA-N
rxn:4:194731:224494,COC1CCN(C2CCc3ccc(-c4ccc(CCOC5CCCCO5)cc4)cc32)CC1,DQDSHLRMBMBMNW-UHFFFAOYSA-N
rxn:4:194768:224963,COC1CCN(C2CCCc3cc(-c4cccc(COC5CCOCC5)c4)ccc32)CC1,QFPXODCBTXVRNE-UHFFFAOYSA-N
rxn:4:194810:225367,COC(=O)C1=C2CCCN2c2cc(-c3cnc(N4CCC(F)(F)CC4)nc3)ccc2S1(=O)=O,RJISXCOGTVHAGJ-UHFFFAOYSA-N
rxn:4:194810:226050,COC(=O)C1=C2CCCN2c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2S1(=O)=O,WTYLCILUBGBUBQ-UHFFFAOYSA-N
rxn:4:196873:223608,O=S(=O)(c1cc(-c2ccc(N3CCOCC3)cc2Cl)ccc1OC(F)(F)F)N1CCOCC1,FMVALZXRRQFWGO-UHFFFAOYSA-N
rxn:4:196943:223480,Cc1cnc(C2CCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,JBOAOVLLVDHVPH-UHFFFAOYSA-N
rxn:4:197026:223687,Cc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1N1CCCCC1=O,UYUMWGUYBWCAKC-UHFFFAOYSA-N
rxn:4:197053:223812,Cc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c(F)cc1N1CCCCC1,OHMBNVIWTHPANH-UHFFFAOYSA-N
rxn:4:197978:224829,COC(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCCC(F)(F)C2)cc1OC(F)(F)F,RHJBEODACFXOOK-UHFFFAOYSA-N
rxn:4:198070:224878,O=C1CCCC2=C1C(c1ccc(-c3ccccc3COC3CCCCC3)cc1)C1C(=O)c3ccccc3C1=N2,ZEHSFWFKLLFJHY-UHFFFAOYSA-N
rxn:4:199334:223498,CN1CCC(C)(C)c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,UCXCJIQNZCNNNH-UHFFFAOYSA-N
rxn:4:199334:223499,CN1CCC(C)(C)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,RSVCOFUNBMJKLX-UHFFFAOYSA-N
rxn:4:199453:224244,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)c1[N+](=O)[O-],DGPDEULJXPKBSK-UHFFFAOYSA-N
rxn:4:199453:224318,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1[N+](=O)[O-],NYVVFIFMHNQOEW-UHFFFAOYSA-N
rxn:4:199622:227086,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCCC4)c3)cc2)CC1,PFKKLRCRPAJKRL-UHFFFAOYSA-N
rxn:4:199649:222426,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,IYHIUJBBFBYWFT-UHFFFAOYSA-N
rxn:4:199649:226502,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccn(C(=O)OC(C)(C)C)c1,KRFGHGFZDVVMPY-UHFFFAOYSA-N
rxn:4:199650:223823,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,BUWZARGDHZBEAI-UHFFFAOYSA-N
rxn:4:199652:228205,CN(C)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])cc1Cl,BPXHVJCJMFIXHC-UHFFFAOYSA-N
rxn:4:199685:224818,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCSCC4)cc3)C2)cc1,AEJNRTXXGYGJHU-UHFFFAOYSA-N
rxn:4:199692:223533,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2C#N)CC1,PIGUPCMTNLDUPY-UHFFFAOYSA-N
rxn:4:199706:224195,CCN1CCN(Cc2cc(-c3cccc(F)c3OCCCN3CCN(C(C)C)CC3)ccc2Cl)CC1,LFTWIYAFMREEIG-UHFFFAOYSA-N
rxn:4:199707:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(SCC2CCCN(C(=O)OC(C)(C)C)C2)n1,NAOOTFBMEBEZFI-UHFFFAOYSA-N
rxn:4:199709:223127,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(CNC4CC4)cc3F)n2)CC1,WNUVCANFOLGILX-UHFFFAOYSA-N
rxn:4:199711:225218,CC1CCCN(c2ncc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2Cl)C1,LNVUQZTZLNWPSN-UHFFFAOYSA-N
rxn:4:199726:223638,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(C#N)c2F)CC1,XIEGAVIQIMTNOO-UHFFFAOYSA-N
rxn:4:199726:228758,CSc1ncc(C)cc1-c1cc(C#N)c(F)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,ACPMXEXEHAQTDT-UHFFFAOYSA-N
rxn:4:199743:226714,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccnn2C(=O)OC(C)(C)C)CC1,YSYNICRNUAUNNX-UHFFFAOYSA-N
rxn:4:199764:226541,COC(=O)c1cc(-c2ccc(C(=O)OC)c(OC)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DBEDQMTUXXRKCY-UHFFFAOYSA-N
rxn:4:199769:222812,COc1cc(Cl)c(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QVYDFCSWUKZNLD-UHFFFAOYSA-N
rxn:4:199769:225901,COc1cc(Cl)c(-c2cn(C(=O)OC(C)(C)C)nc2C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XTVZKQOKBIZYPL-UHFFFAOYSA-N
rxn:4:199770:223691,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(OCc2cccnc2)c(C(F)(F)F)cc1Cl,VCSSDOVEPQXIBZ-UHFFFAOYSA-N
rxn:4:199778:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,BAJQTLLLOBDRMZ-UHFFFAOYSA-N
rxn:4:199778:226502,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccn(C(=O)OC(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,FKKYTENNVGLAIF-UHFFFAOYSA-N
rxn:4:199785:228653,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnn2c1CCCC2,HUSBWXDTSYAPPT-UHFFFAOYSA-N
rxn:4:199787:227933,CCc1ccc(OC)cc1-c1cc([N+](=O)[O-])c(C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1,CTOKBDLFANOURS-UHFFFAOYSA-N
rxn:4:199790:224356,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2sc(Cl)cc2n1C(=O)OC(C)(C)C,MPXHAOJENQFMTQ-UHFFFAOYSA-N
rxn:4:199791:223773,COc1ccc(-c2cc3cccc(OC)c3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BMVUNFSPJFEOJH-UHFFFAOYSA-N
rxn:4:199810:225798,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,GKHCHETYLQGBBU-UHFFFAOYSA-N
rxn:4:199810:226511,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cc(Cl)cnc1OCC1CC1,YMOGDMVCTUNGRD-UHFFFAOYSA-N
rxn:4:199817:224010,CCCOc1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,TWFOGTRBNXOLON-UHFFFAOYSA-N
rxn:4:199817:224323,CCCOc1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,MLKJGQYZKYGOCX-UHFFFAOYSA-N
rxn:4:199827:223480,Cc1cc(-c2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JFIURINERDFOGT-UHFFFAOYSA-N
rxn:4:199829:223577,CC1CN(CCc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2Cl)CCN1C(=O)OC(C)(C)C,INYUMRSIDXJOCF-UHFFFAOYSA-N
rxn:4:199830:225561,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccccc2C(=O)OC(C)(C)C)ccc1Cl,CNCPONJVXAVOIS-UHFFFAOYSA-N
rxn:4:199839:223671,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XNFFPTNMVQUXNV-JOCHJYFZSA-N
rxn:4:199842:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1C,VGAWXCPMNRLZLT-UHFFFAOYSA-N
rxn:4:199843:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C(=O)N(Cc4ccc(N(C)C)cc4)C4CCS(=O)(=O)C4)cc3)cn2)CC1,IECYXNLYLGNUCB-UHFFFAOYSA-N
rxn:4:199846:222988,CCOc1ccc(-c2cc(C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,MMTLEDWQSUJXJR-UHFFFAOYSA-N
rxn:4:199846:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c1,MMBHJJZBSSPHMN-UHFFFAOYSA-N
rxn:4:199860:224374,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,ZNQDEHXFKNIVBC-UHFFFAOYSA-N
rxn:4:199865:226833,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)[C@@H](c2ccc(Cl)cc2)C1,TZSDPAIFHDGPLM-XMMPIXPASA-N
rxn:4:199870:222741,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,DVFBUMRUGZXBCK-UHFFFAOYSA-N
rxn:4:199870:223062,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cnc(C2CCNCC2)cc1F,MDMOVTLHTFKHBM-UHFFFAOYSA-N
rxn:4:199870:223992,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,WBFFSVRQKZUXAR-UHFFFAOYSA-N
rxn:4:200008:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)cn2)C1,AESGRCHVSVZHQE-UHFFFAOYSA-N
rxn:4:200088:223562,CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,OMZNHICROHIAGZ-UHFFFAOYSA-N
rxn:4:200131:223506,COC(=O)Cc1cc(C#N)cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1[N+](=O)[O-],AEWXQEFMBMDFLN-UHFFFAOYSA-N
rxn:4:200225:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(COCC[Si](C)(C)C)c3)ccc2F)CC1,XJJGRXLAZQPYAV-UHFFFAOYSA-N
rxn:4:200303:224877,O=[N+]([O-])c1ccc(OCCN2CCOCC2)c(-c2ccc(COC3CCCCC3)cc2)c1,DTARDOMKTDLIOB-UHFFFAOYSA-N
rxn:4:200304:225163,COC(=O)C(C)(C)N(C)c1ccc(-c2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-],DQTSWKRCHZQMNH-UHFFFAOYSA-N
rxn:4:200340:225805,CC(c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)s1)N1CCOCC1,BBBKBGYRIXPTPA-UHFFFAOYSA-N
rxn:4:200357:224244,CC1CCN(C(=O)c2cc(-c3cc([N+](=O)[O-])ccc3OCCN3CCOC(C)C3)ccc2Cl)CC1,OBHFOCNEKLZBQN-UHFFFAOYSA-N
rxn:4:200366:226046,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)c(C#N)c2)C1,GMXAWILTPMZUMR-UHFFFAOYSA-N
rxn:4:200369:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(C#N)ccc1C1CN(C(=O)OC(C)(C)C)C1,DESRYUBLXHJOKL-UHFFFAOYSA-N
rxn:4:200370:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,GJFVTMALDFFBPQ-UHFFFAOYSA-N
rxn:4:200386:224770,Cc1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc(S(=O)(=O)N2CCCC2)c1,PLYRRNUGALXLCO-UHFFFAOYSA-N
rxn:4:200398:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3CCN=C3SCc3ccccc3F)c2)CC1,DPCZTKCLMGBMHR-UHFFFAOYSA-N
rxn:4:200428:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN(CCOC)CC4)c3)cc2)CC1,XASKAODTMKXSHM-UHFFFAOYSA-N
rxn:4:200433:224819,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1,KEWCGMBWBQMOSY-UHFFFAOYSA-N
rxn:4:200447:222426,COc1cccc(-c2ccc(SCc3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3)nn2)c1,KAWHKPNZWFNKJL-UHFFFAOYSA-N
rxn:4:200473:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,UUTUQXVVIFHYCJ-OAQYLSRUSA-N
rxn:4:200541:223901,COc1ccc(C(=O)N2CCC(Oc3ncccc3-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)C2)cc1F,YNWXAVFIGOBNAA-UHFFFAOYSA-N
rxn:4:200555:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cccc(CC3CCN(C(=O)OC(C)(C)C)C3)n2)cc1Cl,KHRXFWQDPFZUEW-UHFFFAOYSA-N
rxn:4:200555:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)C4)n3)ccc2Cl)CC1,DGVUULDJHXYZSK-UHFFFAOYSA-N
rxn:4:200555:223975,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)n2)C1,RKWXFUNBZGPPLK-UHFFFAOYSA-N
rxn:4:200555:224356,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)C1,GFACHPHCRJQLBL-UHFFFAOYSA-N
rxn:4:200555:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(CC2CCN(C(=O)OC(C)(C)C)C2)n1,VOASFCOJWBNRJL-UHFFFAOYSA-N
rxn:4:200557:225977,CCCCN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)CC1,RWEVFQHGXVSYBI-UHFFFAOYSA-N
rxn:4:200566:226899,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ZDYMKOKJPONRCJ-UHFFFAOYSA-N
rxn:4:200567:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2C)cc(C2CCCNC2)n1,CPWIBVIKDHXDEF-UHFFFAOYSA-N
rxn:4:200595:223536,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,PQEWLYCUCQPJOS-UHFFFAOYSA-N
rxn:4:200596:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,ZLFUQKCEFUJJEF-UHFFFAOYSA-N
rxn:4:200605:223499,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CZESSXLWFCGWPD-UHFFFAOYSA-N
rxn:4:200605:224120,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1CO[Si](C)(C)C(C)(C)C,FSVSTFDLABWVBL-UHFFFAOYSA-N
rxn:4:200610:223635,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2F)CC1,ABTBGIBGZJUXNO-UHFFFAOYSA-N
rxn:4:200610:226502,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccn(C(=O)OC(C)(C)C)c3)cc2F)CC1,ATCZIZOMCCUIKF-UHFFFAOYSA-N
rxn:4:200631:228895,O=C(CCN1C(=O)C(=Cc2cccc(-c3ccc([N+](=O)[O-])cc3)c2)SC1=S)N1CCOCC1,IFSHYTWXUKJQFG-UHFFFAOYSA-N
rxn:4:200642:222514,COc1ccc(-c2cccc(CN3CCN(C)CC3)c2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,YTIBVUQXBVAEFG-UHFFFAOYSA-N
rxn:4:200654:223932,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)C1,QPETYBFGKFROTI-UHFFFAOYSA-N
rxn:4:200656:223602,CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2)CC1,UTPUSBGZJCIGJI-UHFFFAOYSA-N
rxn:4:200656:227661,Cc1cc(C(F)(F)F)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N,WCEXYCBGAQPBTF-UHFFFAOYSA-N
rxn:4:200695:223788,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,PIXFXFSDVPDRHW-UHFFFAOYSA-N
rxn:4:200695:224269,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2)CC1,QETMSOXMOOTOHP-UHFFFAOYSA-N
rxn:4:200698:223140,COC(=O)c1cc(-c2ccnc(C3CCCNC3)c2)ccc1CN1CCN(C(C)C)CC1,JCIQFJGRHGCILO-UHFFFAOYSA-N
rxn:4:200703:223588,Cc1cc(-c2ccc(Cl)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VXYYKSKGIMLYSD-UHFFFAOYSA-N
rxn:4:200703:226541,COC(=O)c1ccc(-c2ccc(Cl)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,NRGCWWNFSKTQHE-UHFFFAOYSA-N
rxn:4:200709:223932,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccc2F)CC1,XPLGIBDOGSPAFF-UHFFFAOYSA-N
rxn:4:200709:224290,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2F)CC1,WSMLOQRRWCVSBB-UHFFFAOYSA-N
rxn:4:200710:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,XLQSTVHVQPAJSE-UHFFFAOYSA-N
rxn:4:200711:223941,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)CC1,SMZRWYJLNZYCLK-UHFFFAOYSA-N
rxn:4:200712:223671,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,JEDLHQDQTDZJSH-UHFFFAOYSA-N
rxn:4:200712:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,FKBMEOPRIKYKLI-UHFFFAOYSA-N
rxn:4:200713:222622,CCC(C)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc(C2CCCNC2)n1,SLFAGJDTCZXTET-UHFFFAOYSA-N
rxn:4:200720:222631,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)cc2)CC1,FRQYVOHRPKOKRZ-UHFFFAOYSA-N
rxn:4:200720:223167,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)CC1,LMFZHHDSUMOPPL-UHFFFAOYSA-N
rxn:4:200724:228551,CCCc1ncccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,IIALACFIEZNSEJ-UHFFFAOYSA-N
rxn:4:200732:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(F)(F)F)CC1,DVEWDTDZBDGJQL-UHFFFAOYSA-N
rxn:4:200734:225232,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cnc2Cl)CC1,USVWJBRWDVWJRP-UHFFFAOYSA-N
rxn:4:200740:224986,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCCC4)cc3C#N)c(F)cc2F)CC1,IQKFHEDHDLNBOH-UHFFFAOYSA-N
rxn:4:200760:223940,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,YIEFNKZKPDJVSY-UHFFFAOYSA-N
rxn:4:200783:223533,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,KBBIQBXBRLKUAI-UHFFFAOYSA-N
rxn:4:200814:225895,COCCOc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(Cl)c1F,BVNIESZLFDDORR-UHFFFAOYSA-N
rxn:4:200815:223480,Cc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GAKAKAZGKKDBBD-UHFFFAOYSA-N
rxn:4:200817:224157,CC(c1ccccc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12)N1CCN(C(=O)OC(C)(C)C)CC1,NAOONBGLGRQMNI-UHFFFAOYSA-N
rxn:4:200821:225092,CCCCOc1cc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc(Cl)c1OC,XQTYKQAOHLCXKV-UHFFFAOYSA-N
rxn:4:200823:224714,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1C(F)(F)F,VSMWUHPWCMFAJI-UHFFFAOYSA-N
rxn:4:200823:225233,Cc1cc(-c2cnc(Cl)c(N3CCCC(C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BCCSEXKAPWRECP-UHFFFAOYSA-N
rxn:4:200824:222929,Cc1ccc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KXTDTQWSPCCUOO-UHFFFAOYSA-N
rxn:4:200824:223527,Cc1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SQRZFLNPVNMKNH-UHFFFAOYSA-N
rxn:4:200826:222719,Cc1cc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,IBUGLDUCSRXJDX-UHFFFAOYSA-N
rxn:4:200826:225127,Cc1cc(-c2cc(C)c(F)c(OCC(C)C)c2F)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CFJLDLUWUHLHRZ-UHFFFAOYSA-N
rxn:4:200831:225975,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccnc(N4CCOCC4)c3Cl)CC2)cc1C,UAUROTUDYCNJMI-UHFFFAOYSA-N
rxn:4:200845:225890,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(COCC[Si](C)(C)C)c3)cc(C3CC3)c2)CC1,IJYDVAGAUXXBOF-UHFFFAOYSA-N
rxn:4:200857:223533,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,CNRCAWYLDLSJGH-XMMPIXPASA-N
rxn:4:200871:223534,Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QLPIEDKLZJTVFG-UHFFFAOYSA-N
rxn:4:200871:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AEGKDROABYYJEE-UHFFFAOYSA-N
rxn:4:200884:224271,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc1)C2,MIHVCLVBUPAZGX-UHFFFAOYSA-N
rxn:4:200884:226511,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc(Cl)cnc3OCC3CC3)cc1)C2,ILXCIGIHIRWXLJ-UHFFFAOYSA-N
rxn:4:200895:225947,CN1CCN(c2ncc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cn2)CC1,VZNWHEVNYKOPFO-UHFFFAOYSA-N
rxn:4:200897:224366,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(OC(F)(F)F)c(OCC2CC2)c1,GHYVPQGMWPPERH-UHFFFAOYSA-N
rxn:4:201089:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(Cl)cc4N4CCOCC4)ccc3s2)CC1,FIRJEOLRPFWIQK-UHFFFAOYSA-N
rxn:4:201134:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)cc2)CC1,VRRCNJOYWFODAP-UHFFFAOYSA-N
rxn:4:201134:225947,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)cn2)CC1,QPAPMGYKTVLQSS-UHFFFAOYSA-N
rxn:4:201144:225102,CCN(CC)C(=O)c1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)ccc1F,QPQILONUJCTAMB-UHFFFAOYSA-N
rxn:4:201144:225557,COC(=O)C1(c2ccc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)CC3)C(=O)CO4)cc2)CC1,FDPYBIUVAOMPBP-UHFFFAOYSA-N
rxn:4:201151:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCN(CC3CCCN(C(=O)OC(C)(C)C)C3)C4)s2)CC1,WPAOUXFVKYPZHG-UHFFFAOYSA-N
rxn:4:201171:227680,O=C(N1CCN=C1SCc1ccc(-c2cccc3c2OC(F)(F)O3)cc1)C12CC3CC(CC(C3)C1)C2,VXEZRRKNWBYDCV-UHFFFAOYSA-N
rxn:4:201215:223541,CCOC(=O)Cn1nccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AWVPSRJJHOAKJR-UHFFFAOYSA-N
rxn:4:201677:222960,Cc1cc(-c2cccc(N3CCCC(C(=O)CC#N)C3=O)c2F)cc(C2CCNCC2)c1,IWBSLWDTTJXJPE-UHFFFAOYSA-N
rxn:4:201694:222730,CCCc1cc(-c2ccc(N3CCOCC3)nc2C(=O)OCC)cc(C2CCNCC2)n1,IERURDODPYHCCV-UHFFFAOYSA-N
rxn:4:201730:222787,Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(C2CC2)nn1C(=O)OC(C)(C)C,UYYXBBKDSZXISS-UHFFFAOYSA-N
rxn:4:201765:223037,O=C(NC1CC1)c1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1Cl,ZFMUIMKOJGVUMM-UHFFFAOYSA-N
rxn:4:201790:223773,COc1cccc2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3)n(C(=O)OC(C)(C)C)c12,VNVSUKNXNDGJDY-UHFFFAOYSA-N
rxn:4:201907:226333,O=C(Cc1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,MPIHGFXLDKLWJO-UHFFFAOYSA-N
rxn:4:201908:225155,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc1)N1CCOCC1,XRBRPDVHOUJPBH-UHFFFAOYSA-N
rxn:4:201927:223636,CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cs2)CC1,BZCCRYJKOZRRKD-UHFFFAOYSA-N
rxn:4:201932:224665,CN1CCN(Cc2cc(F)ccc2-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,WNXRKMYYSLGWRF-UHFFFAOYSA-N
rxn:4:201946:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)cc2C1,CBWRKUKQGLLSLV-UHFFFAOYSA-N
rxn:4:201947:223889,CC(C)(C)OC(=O)c1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cnc1N1CCCC1,JNAYYWSTQLVGMI-UHFFFAOYSA-N
rxn:4:201953:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(C(=O)OC)c3)cc2)CC1,DPAMNIDEZDWESW-UHFFFAOYSA-N
rxn:4:201958:223521,CC(c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NQYBOEJMUCONCM-UHFFFAOYSA-N
rxn:4:201958:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3F)c2)C1,WYCLKMARNHOLDS-UHFFFAOYSA-N
rxn:4:201975:224018,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)CC1,SALVDGYALJLFCA-UHFFFAOYSA-N
rxn:4:201994:223787,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCOCC4)n3)cc2F)CC1,DJSOUFUBGMUGOV-UHFFFAOYSA-N
rxn:4:201996:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccn3)cc2)CC1,XNSALEDPKPOQPA-UHFFFAOYSA-N
rxn:4:201996:225233,CC1CCCN(c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccn3)cnc2Cl)C1,IDCOJFNRWCKPTD-UHFFFAOYSA-N
rxn:4:202007:224323,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1,CRXRFDZFCWBROX-UHFFFAOYSA-N
rxn:4:202008:224820,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,PSQFQEVQSCBDDI-UHFFFAOYSA-N
rxn:4:202010:223880,Cc1ccc2c(c1)cc(-c1cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c1)n2C(=O)OC(C)(C)C,RWVVLIBUPIZWRU-UHFFFAOYSA-N
rxn:4:202020:225438,CC(c1ccc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)cc1)N1CCCC1,CFVREPOMTWPXQW-UHFFFAOYSA-N
rxn:4:202073:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1,PYNOFABAHYSJED-UHFFFAOYSA-N
rxn:4:202073:224272,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)C(=O)C1,FRTVZQMMMKUXGW-UHFFFAOYSA-N
rxn:4:202075:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc1,FFGKVENUNSVETH-UHFFFAOYSA-N
rxn:4:202075:223941,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cn2)C1=O,QEBDQKNQQSPVIQ-UHFFFAOYSA-N
rxn:4:202095:225561,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccccc1C(=O)OC(C)(C)C,XGQUOEALRYJWDI-UHFFFAOYSA-N
rxn:4:202097:222802,Cc1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(S(=O)(=O)NC(C)(C)C)c1,BFWLLZOLNYUXHS-UHFFFAOYSA-N
rxn:4:202097:223671,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,BNZLZOUKCBGQKG-UHFFFAOYSA-N
rxn:4:202098:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,FNUGNOLNXHGFLC-UHFFFAOYSA-N
rxn:4:202101:222457,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cs1,DMNOIFWASDJILO-UHFFFAOYSA-N
rxn:4:202106:222996,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3C3CCCNC3)c2)C1,QJBHEEZXPBBNPC-UHFFFAOYSA-N
rxn:4:202106:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cc(F)c2F)CC1,WSPGNIUVTGELIY-UHFFFAOYSA-N
rxn:4:202108:223637,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,FTFHUGCXNKWQEP-UHFFFAOYSA-N
rxn:4:202108:224157,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1,KSZYNPFQLMGORG-UHFFFAOYSA-N
rxn:4:202111:223637,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,SWWPSVWRLYWKOR-UHFFFAOYSA-N
rxn:4:202111:224356,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cc2)CC1,UREPICFTZZNFRX-UHFFFAOYSA-N
rxn:4:202111:225538,CC(C)COc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C#N,VVRVOTFSULZDHR-UHFFFAOYSA-N
rxn:4:202116:223883,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cn2)C1,BCMMLJUTBYFQLZ-UHFFFAOYSA-N
rxn:4:202122:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)cc2)CC1,SMBVAXDSEYIOIY-UHFFFAOYSA-N
rxn:4:202126:223506,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PMWHVKMOVBVECB-UHFFFAOYSA-N
rxn:4:202126:223934,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2ccc(F)cc2n1C(=O)OC(C)(C)C,CMERAKPAGKDWQB-UHFFFAOYSA-N
rxn:4:202128:223504,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2Cl)CC1,LSOUDFZYVXLVJK-UHFFFAOYSA-N
rxn:4:202131:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VJHQHRBUSBDJDW-UHFFFAOYSA-N
rxn:4:202133:223668,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)CC1,UAKLCVYNISLACN-UHFFFAOYSA-N
rxn:4:202209:222538,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,PDHCKOSFDXADRU-UHFFFAOYSA-N
rxn:4:202209:222826,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,AMFQDUIXVNUWFN-UHFFFAOYSA-N
rxn:4:202212:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)C1,VQRHVQYUSULHCW-UHFFFAOYSA-N
rxn:4:202212:224818,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCSCC4)cc3)C2)cc1C,FOQPHKXEDCYLAM-UHFFFAOYSA-N
rxn:4:202222:223534,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1,WFCMTMMLOVJSCS-UHFFFAOYSA-N
rxn:4:202226:226321,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(SC3CCCC3)nc2)n1,CGTQJPUJYOXMOL-UHFFFAOYSA-N
rxn:4:202234:225947,Cc1c(-c2cnc(N3CCN(C)CC3)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,UUUMSDRGAPYXOM-UHFFFAOYSA-N
rxn:4:202236:223504,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,GXIZJOGUSRBGEN-UHFFFAOYSA-N
rxn:4:202236:223649,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QDURKLHCMQFROQ-UHFFFAOYSA-N
rxn:4:202236:223935,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)c1,NEFRGHQBRKMNDH-UHFFFAOYSA-N
rxn:4:202274:223892,CN1CCN(CCCOc2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2)CC1,WMVZBDAVWOOQNY-SAIUNTKASA-N
rxn:4:202279:224819,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,KFBPBGYLJHMDNT-UHFFFAOYSA-N
rxn:4:202290:223657,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccncc45)cc3)CC2)C1,HGHAPRQPZUEHQO-UHFFFAOYSA-N
rxn:4:202295:223835,COc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,SUEUYQIUFRFOGJ-UHFFFAOYSA-N
rxn:4:202306:222441,CCN1CCN(Cc2cc(-c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc(C(C)(C)C)c2)CC1,DNNGGZLRHBCKAI-UHFFFAOYSA-N
rxn:4:202306:222729,CCCc1cc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)cc(C2CCCNC2)n1,WMZGLMUUDYWHFH-UHFFFAOYSA-N
rxn:4:202306:222890,CCN1CCN(Cc2cc(-c3cc(OC)nc(C4CCCNC4)c3)cc(C(C)(C)C)c2)CC1,PBHNJGWSLLBCET-UHFFFAOYSA-N
rxn:4:202306:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,PPFQIRMLPQLXJI-KWQFAZJVSA-N
rxn:4:202306:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,KGSIOIHJFBTDIC-FBSWEULCSA-N
rxn:4:202306:224865,CCN1CCN(Cc2cc(-c3ccc(CCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,GNUNTOFWOGYSPD-UHFFFAOYSA-N
rxn:4:202306:225003,CCN1CCN(Cc2cc(-c3ccc(N4CCCCC4)cc3OC)cc(C(C)(C)C)c2)CC1,SWFNBEIMQVEYQP-UHFFFAOYSA-N
rxn:4:202306:225915,CCOc1cc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)ccc1C(F)(F)F,SPCCBEHPOZKLLB-UHFFFAOYSA-N
rxn:4:202312:223397,O=C(C1CCN(Cc2cccc(-c3ccc4c(c3)CCN4)c2)CC1)N1CCC(F)(F)CC1,DFGKACRYVHYNGH-UHFFFAOYSA-N
rxn:4:202313:227203,O=C(C1CCN(Cc2ccccc2-c2ccc3c(c2)OCCCO3)CC1)N1CCC(F)(F)CC1,XAYLMIQSZMGYMV-UHFFFAOYSA-N
rxn:4:202341:226109,CC(C)N1CCN(Cc2cc(-c3ccc(OCC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,PMSPJSUSWWGEHP-UHFFFAOYSA-N
rxn:4:202564:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4c(c3)C(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C4=O)c2)CC1,LBDDTWPVBAPPDF-UHFFFAOYSA-N
rxn:4:202686:224397,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)ccc3OCC2=O)CC1,ATDCNSBDLMJHAP-UHFFFAOYSA-N
rxn:4:202712:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)cc2C1,DVYBKRBZOQLEHZ-SANMLTNESA-N
rxn:4:202712:225394,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cc(C5CCC5)cc(C5CC5)c4)ccc3C2=O)C1,BNZAAKAVCIEENE-MHZLTWQESA-N
rxn:4:202714:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)CC1,GMIVCKYKCNAYAN-UHFFFAOYSA-N
rxn:4:202726:223531,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)ccc32)CC1,YTTGAJRMRBRZLI-UHFFFAOYSA-N
rxn:4:202755:223884,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)ccc3OCC2=O)CC1,ANWFDPOEOFHRSF-UHFFFAOYSA-N
rxn:4:202883:223528,COC(=O)c1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1C(F)F,PNSLFRUGAXPFDE-UHFFFAOYSA-N
rxn:4:203137:223480,CCOC(=O)c1c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(C)nn1C,HFNHTVVDTWQTJE-UHFFFAOYSA-N
rxn:4:203245:223696,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,GDHRVZCJXMAMCQ-UHFFFAOYSA-N
rxn:4:203462:223696,COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(N2CCC2)c1[N+](=O)[O-],NTBBMQSSBIZWII-UHFFFAOYSA-N
rxn:4:203645:224375,COc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1C(=O)N1CCOCC1,QHWQYNWTBKMTBX-UHFFFAOYSA-N
rxn:4:203708:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1,IKNWHRPTLWWEIH-UHFFFAOYSA-N
rxn:4:203708:224765,O=C(c1ccccc1-c1cc(C(F)(F)F)ccc1N1CCCC1)N1CC(N2C(=O)COC2=O)C1,KZUMXDGEHCJGRK-UHFFFAOYSA-N
rxn:4:203709:225369,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(Cl)c([N+](=O)[O-])c1,JKITUNNCVSBUCO-UHFFFAOYSA-N
rxn:4:203718:223696,CCCc1nc(N2CCCCC2)sc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,KRZHGWXPGVGIHN-UHFFFAOYSA-N
rxn:4:203721:224286,O=[N+]([O-])c1cc(CN2CCCCC2)cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)c1,BJKAAVUWWIOMMM-UHFFFAOYSA-N
rxn:4:203736:224371,COC(=O)c1nc(N2CCCCC2)ccc1-c1cnc(N2CCC(C(=O)OC)CC2)nc1,QPPDJFYSURHDQA-UHFFFAOYSA-N
rxn:4:203757:225979,O=S(=O)(c1cncc(-c2cnc(N3CCOCC3)c(Cl)c2)c1)N1CCC(C(F)(F)F)CC1,CKSCEVZLGDKNOR-UHFFFAOYSA-N
rxn:4:203757:225980,O=S(=O)(c1cncc(-c2cc(N3CCOCC3)ncc2F)c1)N1CCC(C(F)(F)F)CC1,RGZFTJMYMOUKTE-UHFFFAOYSA-N
rxn:4:203833:224820,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,HTNVOWUAVNPPIS-UHFFFAOYSA-N
rxn:4:203833:225296,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,JJKKXEJUMZFKJZ-UHFFFAOYSA-N
rxn:4:203833:226537,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1Cl,HRTAOLCXDDJKMA-UHFFFAOYSA-N
rxn:4:203840:225163,CN1C(=O)C(CC(=O)c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2)C(=O)N(C)C1=O,YDUVHJFNPAHFCT-UHFFFAOYSA-N
rxn:4:203883:223847,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3)cc2)CC1,NGJZWTXXXLXIJB-UHFFFAOYSA-N
rxn:4:203884:223992,Cc1ccc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FKWGSRLYCIDYLN-UHFFFAOYSA-N
rxn:4:203897:224323,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)c2)CC1,XQZIPDCSYIUSAO-UHFFFAOYSA-N
rxn:4:203915:223120,O=C(NC1CC1)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)c1,UZRRCAFDIQMRDM-UHFFFAOYSA-N
rxn:4:203939:222465,O=S(=O)(C1CC1)N1CCN(c2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,DIOSEMDUOSEGBV-UHFFFAOYSA-N
rxn:4:203939:224819,O=S(=O)(c1ccc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1)N1CCOCC1,JLGVHPIPHKHZJT-UHFFFAOYSA-N
rxn:4:203977:226313,CCOC(=O)c1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1C,ZKAXQLMEZWJLAQ-UHFFFAOYSA-N
rxn:4:203977:227691,COc1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1[N+](=O)[O-],XDQVNEDXXAQNKX-UHFFFAOYSA-N
rxn:4:203986:228300,CCOC(=O)c1ccsc1-c1ccc(Cl)c(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,SOJDNRMIGLVBLF-UHFFFAOYSA-N
rxn:4:204012:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCC(N(C)C)CC2)c1,JDGHFAPPLWMKKZ-UHFFFAOYSA-N
rxn:4:204014:222847,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C#N)cc(C4CCCNC4)c3)c2)CC1,XFYKFESNWQDVHA-UHFFFAOYSA-N
rxn:4:204031:224022,CC(C)S(=O)(=O)N1CCN(c2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,OEKGGBUVZLIDQT-UHFFFAOYSA-N
rxn:4:204046:224820,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,AYCWRVFOTOPXJU-UHFFFAOYSA-N
rxn:4:204046:228480,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)ccc2[N+](=O)[O-])CC1,AIBJKGFYLGBATG-UHFFFAOYSA-N
rxn:4:204066:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,ACGXJTAUDFLBRK-UHFFFAOYSA-N
rxn:4:204069:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)c(C)c3)cc2)CC1,LQTSUUKWCASCDF-UHFFFAOYSA-N
rxn:4:204082:228239,COc1nc(C)c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1C,YOYUVGNNOIWJPR-UHFFFAOYSA-N
rxn:4:204082:228301,CCOC(=O)c1sccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,TWMGOOHAJSLMHI-UHFFFAOYSA-N
rxn:4:204093:223831,COc1ccc(-c2cncc(CC3CCCN(C(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,LVVWZBWSUPOZJE-UHFFFAOYSA-N
rxn:4:204109:224597,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)cc(N3CCOCC3)c2)CC1,BDZVBFPCERQCCC-UHFFFAOYSA-N
rxn:4:204109:226532,CCOC(=O)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,QVGNRULXKOCAOY-UHFFFAOYSA-N
rxn:4:204109:228482,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])cc2Cl)CC1,BCAVVZXXZCNJJN-UHFFFAOYSA-N
rxn:4:204109:228776,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1Cl,LGIIOOCYWWZDPF-UHFFFAOYSA-N
rxn:4:204109:228849,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(Cl)c1F,TXKBNLNJWQMELM-UHFFFAOYSA-N
rxn:4:204109:228893,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccc([N+](=O)[O-])c2)CC1,WLMIGAASFBTPIW-UHFFFAOYSA-N
rxn:4:204109:229158,CC(C)n1ncnc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,NXXYKZHTPWKJAP-UHFFFAOYSA-N
rxn:4:204114:223956,O=C(c1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)o1)N1CCCN(C2CCSCC2)CC1,OVKVIUCAYYHDNO-UHFFFAOYSA-N
rxn:4:204166:225165,COc1cc(-c2ccc(CN3CCCCC3C)c(N3CCOCC3)c2)ccc1N1CCOCC1,KGVVUBRSHYFDRL-UHFFFAOYSA-N
rxn:4:204167:222729,CCCc1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCOCC3)c2)cc(C2CCCNC2)n1,RULNYBSDSKVBAJ-UHFFFAOYSA-N
rxn:4:204170:225320,CC1CCCCN1Cc1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1N1CCCCC1,SGLFLOZYCRBKLX-UHFFFAOYSA-N
rxn:4:204183:225210,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cnc(N4CCC(C)CC4)nc3C)CC2)c(C)c1,RRMYDHYKPPNIEQ-UHFFFAOYSA-N
rxn:4:204183:225623,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cccc(OC4CCOCC4)c3)CC2)c(C)c1,WUAMACFYTLZSJT-UHFFFAOYSA-N
rxn:4:204351:223903,COC(=O)Cc1nc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)n2c1COCC2,XIAHFJJHKHWRIF-UHFFFAOYSA-N
rxn:4:204459:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4ccn(C(=O)OC(C)(C)C)c4cn3)c2)CC1,ZFYUADPFTYNYBV-UHFFFAOYSA-N
rxn:4:204473:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc4c(c3)c(Cl)cn4C(=O)OC(C)(C)C)ccc2F)CC1,CNZVDVJKYHCVPR-UHFFFAOYSA-N
rxn:4:204475:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nc(Cl)cc2ccn(C(=O)OC(C)(C)C)c12,WWWLCKNMUMXWHQ-UHFFFAOYSA-N
rxn:4:204556:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2C1,WQYIKMBUBPTIIR-UHFFFAOYSA-N
rxn:4:204556:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c(Cl)c1,QLVVIYLZJYPISQ-UHFFFAOYSA-N
rxn:4:204568:222465,O=C(Oc1c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc(Cl)c2cccnc12)N1CCOCC1,BEIONUARISEUIO-UHFFFAOYSA-N
rxn:4:204601:223777,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2C1,COZGXVZOPORNKT-UHFFFAOYSA-N
rxn:4:204710:222946,CC(C)(C)[Si](C)(C)O[C@@H]1COc2c(-c3cnc(N4CCCCC4O)nc3Cl)cnn2C1,HFSCBPITQRIYFN-MBIQTGHCSA-N
rxn:4:204768:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)cc2[N+](=O)[O-])CC1,CUFZFHZXQMLSBJ-UHFFFAOYSA-N
rxn:4:204780:225183,O=S(=O)(c1ccc(-c2ccc(OC3CCCCC3)nc2F)cc1)N1CC(N2CC3CCCC3C2)C1,PTOFITXTYKRMBQ-UHFFFAOYSA-N
rxn:4:204800:223669,CC(C)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c3ccccc23)CC1,GHEOVIZYFIPIMZ-UHFFFAOYSA-N
rxn:4:204805:225159,O=C(C1=CN(c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,OYXWSVBBPRXLOD-UHFFFAOYSA-N
rxn:4:204926:223754,COc1ccccc1C1c2c(oc3ccc(-c4ccc(OCCCN5CCC(C)CC5)c(Cl)c4)cc3c2=O)C(=O)N1c1cc(C)on1,YVHUCUOCJSGNAW-UHFFFAOYSA-N
rxn:4:204943:223590,COc1cccc(C2c3c(oc4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,MSYCDVVFZVXTQR-UHFFFAOYSA-N
rxn:4:205647:223606,Cc1nc(OC2COC2)ncc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,NRVMNLYVKXUJKY-UHFFFAOYSA-N
rxn:4:205824:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc([N+](=O)[O-])ccc2N2C(=O)C=CC2=O)c1,NKRHHWXVUIMZAD-UHFFFAOYSA-N
rxn:4:205992:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)ncn3)ccc2Cl)CC1,SGHCCVRAFHXSGF-UHFFFAOYSA-N
rxn:4:206293:223520,Cc1cnn(-c2ccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2C(F)(F)F)c1,TZYRVBIBPQEHRS-UHFFFAOYSA-N
rxn:4:206323:223539,CCc1nc(N2CCCC2)sc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,XNODSKUXLMNGGS-UHFFFAOYSA-N
rxn:4:206422:223834,Cc1cc(-c2c(C3CCOCC3)ccnc2C#N)cc(C)c1S(=O)(=O)N1CCN(C)CC1,IODYJODXDCHEOC-UHFFFAOYSA-N
rxn:4:206666:223823,CCc1nc(N2CCCCC2)sc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,PFVKJURGDGUDAA-UHFFFAOYSA-N
rxn:4:206697:224351,CS(=O)(=O)N1CCCC(c2ncc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)s2)C1,KYVQUHQPUJGOQM-UHFFFAOYSA-N
rxn:4:206896:222514,COc1ccc(-c2sc(N3CCCCC3)nc2C(C)C)cc1S(=O)(=O)NC1CCCCC1,SRTWKSGXYUWETR-UHFFFAOYSA-N
rxn:4:206957:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(S(=O)(=O)N2CCC(C)CC2)c1,RMMRVLDDCGRXER-UHFFFAOYSA-N
rxn:4:206958:222702,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cn2)CC1,WBJIZGDXRFWIOO-UHFFFAOYSA-N
rxn:4:207068:223696,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2C2CC2)CC1,UFWDTMIHTUPRAK-UHFFFAOYSA-N
rxn:4:207077:225990,CCCCn1nc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCC(=C3CCC3)CC2)c1,MMGWVXUDYIDPKC-UHFFFAOYSA-N
rxn:4:207250:223506,COC(=O)c1cc2[nH]nc(Cl)c2cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BVOJOZXVASZNOJ-UHFFFAOYSA-N
rxn:4:207261:223504,COC(=O)c1n[nH]c2cc(F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc12,JMZUCRPKHRMFDI-UHFFFAOYSA-N
rxn:4:207261:223526,COC(=O)c1n[nH]c2cc(F)c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12,CCTGIGKSEFOVKR-UHFFFAOYSA-N
rxn:4:207748:226901,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1,HOAQZBPAXKMGLS-UHFFFAOYSA-N
rxn:4:207760:227592,COc1cc(F)cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(F)c2)c1OC,FUQVAVBCCQHPOY-UHFFFAOYSA-N
rxn:4:207779:224760,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1)N1CCCCC1,AQRLTNWBEALLMB-UHFFFAOYSA-N
rxn:4:207794:224170,CN1CCN(Cc2cc3c(c(-c4ccc(OCCCN5CCCC5)c(Cl)c4)c2)OCC3)CC1,RDQDOYYFDCRYST-UHFFFAOYSA-N
rxn:4:207823:224819,O=S1(=O)CC2C(C1)N(c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc1)C(=S)N2c1ccccc1,SBSKGNCIGRUBHI-UHFFFAOYSA-N
rxn:4:209651:223588,Cc1cc(-c2cncn2C2CCCCC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,DJWVBSOFUKIIBP-UHFFFAOYSA-N
rxn:4:209731:223588,Cc1cc(-c2ccc(C3CCCCC3)nn2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QZCLWJZQTLNRNN-UHFFFAOYSA-N
rxn:4:209808:223695,Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1C1CCCCC1,GJSTZWCSMALHAD-UHFFFAOYSA-N
rxn:4:210595:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3nc4c(c(C(F)(F)F)n3)CCCC4)cc2C)CC1,DKEQWLBBUUBYID-UHFFFAOYSA-N
rxn:4:211024:223501,Cc1nn(C2CCCCO2)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc12,CEMMEPMCPNZFGP-UHFFFAOYSA-N
rxn:4:211042:222841,CN1C(=O)CCC(N2Cc3c(cccc3-c3ccc(C(=O)NC4CCCC4)cc3)C2=O)C1=O,QXAAIOXGLFTOJG-UHFFFAOYSA-N
rxn:4:211042:224375,CN1C(=O)CCC(N2Cc3c(cccc3-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)C2=O)C1=O,QVARONDINGWGKV-UHFFFAOYSA-N
rxn:4:211042:225407,CN1C(=O)CCC(N2Cc3c(cccc3-c3ccc(C4CCCCCC4)cc3)C2=O)C1=O,NWBCFQUZTBDLDK-UHFFFAOYSA-N
rxn:4:211042:226662,CN1CCN(c2ccc(-c3cccc4c3CN(C3CCC(=O)N(C)C3=O)C4=O)s2)CC1,WEDCFFIHBULBRC-UHFFFAOYSA-N
rxn:4:211098:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)c(F)c2)CC1,GMVUFSGNYNJBNV-UHFFFAOYSA-N
rxn:4:211100:223064,CC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCNCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,RLBPGAGVFAMVTH-UHFFFAOYSA-N
rxn:4:212515:224198,CCN1CCN(Cc2ccc(-c3nc(C(F)(F)F)nn3COCC[Si](C)(C)C)c(F)c2)CC1,UNHRXSINLALLNI-UHFFFAOYSA-N
rxn:4:212563:224817,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,JREAUTCHBNDNDK-UHFFFAOYSA-N
rxn:4:212647:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)c(F)cn2)CC1,HHJLLZOTUWFUBH-UHFFFAOYSA-N
rxn:4:212651:223034,CC(C)(C)NC(=O)c1cncc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,UQNVWPBWGJGBHV-UHFFFAOYSA-N
rxn:4:212651:226716,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,MFHGYFLVEVPWBZ-UHFFFAOYSA-N
rxn:4:212652:224158,COC(=O)c1cc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,AMVAYWIRLNBBNY-UHFFFAOYSA-N
rxn:4:212655:225911,COC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)OC)c2)c(Cl)cc1OC,INRCMXCFVXOSAC-UHFFFAOYSA-N
rxn:4:212675:226715,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnn(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],XZIUSVXCEZXGJY-UHFFFAOYSA-N
rxn:4:212693:224278,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)c1,FENKWXIXRVCYFQ-UHFFFAOYSA-N
rxn:4:212695:223699,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)CC1,ZQLMNWKXRCJKQA-UHFFFAOYSA-N
rxn:4:212696:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)ccc2C1,LRAVYVZSHQHGJX-UHFFFAOYSA-N
rxn:4:212704:223941,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)n1,LGZIHDJXFQIGCF-UHFFFAOYSA-N
rxn:4:212731:222719,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)nc(C(F)(F)F)c5)cc4)C3)n2)c1,KZMSVAXFAZTMBS-UHFFFAOYSA-N
rxn:4:212741:223774,COc1cccc2c1cc(-c1ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c1)n2C(=O)OC(C)(C)C,DUSABMCXDJBMGI-UHFFFAOYSA-N
rxn:4:212743:223531,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)CC1,VSHLOBRZWWZJBI-UHFFFAOYSA-N
rxn:4:212744:223670,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,SFBBTZWMCBNPQP-UHFFFAOYSA-N
rxn:4:212744:224278,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,LRUFUXCPZCQPPY-UHFFFAOYSA-N
rxn:4:212747:223502,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1N1CCOCC1,OLFGMPBIUTZZOV-UHFFFAOYSA-N
rxn:4:212747:226716,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)cc1N1CCOCC1,SLMRZYXJHZXBPW-UHFFFAOYSA-N
rxn:4:212747:226945,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)c2ncccc2c1,DLOMAWPBGVFQGI-UHFFFAOYSA-N
rxn:4:212750:223530,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1N1CCCCC1,XJCZNBFGHFTRDN-UHFFFAOYSA-N
rxn:4:212770:223589,CCOC(=O)c1nn2c(c1-c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1C)CN(C(=O)OC(C)(C)C)CC2,JFYONHDGPRYQLU-UHFFFAOYSA-N
rxn:4:212770:223938,CCOC(=O)c1nn2c(c1-c1cc3cc(Cl)ccc3n1C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CC2,FCXXUEAFYPXHOW-UHFFFAOYSA-N
rxn:4:212770:225181,CCOC(=O)c1nn2c(c1-c1cccc(CN3CCOCC3)c1F)CN(C(=O)OC(C)(C)C)CC2,RSAOGLOIINZUCP-UHFFFAOYSA-N
rxn:4:212770:226539,CCOC(=O)c1ccc(Cl)cc1-c1c(C(=O)OCC)nn2c1CN(C(=O)OC(C)(C)C)CC2,HSMNJIJGUPHLNC-UHFFFAOYSA-N
rxn:4:212804:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)cc2Cl)CC1,VISVEJLPYCYCDS-UHFFFAOYSA-N
rxn:4:212939:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)cc(C(F)(F)F)c2)CC1,PGGNJKMMJYDTKC-UHFFFAOYSA-N
rxn:4:212942:223591,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cn2)C1,BIIYLGFUAHZBBQ-UHFFFAOYSA-N
rxn:4:212942:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C(=O)c5cc(Cl)ccc5OC)C4)c3)cn2)CC1,YZYGMNXTLVDAHF-UHFFFAOYSA-N
rxn:4:212963:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cncc(OC4CCN(C(=O)OC(C)(C)C)C4)n3)cnc2C1,TTYCUNAEZLKXRZ-UHFFFAOYSA-N
rxn:4:212964:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)c(F)c2)CC1,WEQXLXPYFIQDOC-UHFFFAOYSA-N
rxn:4:212964:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,MHXLMJZLZORDKJ-UHFFFAOYSA-N
rxn:4:212966:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,AWYZBHOMNSXTDY-UHFFFAOYSA-N
rxn:4:212966:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,YKAFYYQGIGGDIO-UHFFFAOYSA-N
rxn:4:212970:225901,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cn(C(=O)OC(C)(C)C)nc1C,BZUXGARQYWNHBI-UHFFFAOYSA-N
rxn:4:212971:223945,O=C(OCc1ccccc1)N1CCCC(c2nnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)s2)C1,LEMHVGUYAWODMY-UHFFFAOYSA-N
rxn:4:213010:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnn(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1,MLIYCQNZYCVWEX-INIZCTEOSA-N
rxn:4:213031:222524,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cn2)C1,CAFGNXHMGMWNIB-UHFFFAOYSA-N
rxn:4:213040:223501,Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,NHUBCDKCOQBZCI-UHFFFAOYSA-N
rxn:4:213043:223065,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCNCC4)cc3F)cn2)C1,BMBQMWGEEMGWFD-UHFFFAOYSA-N
rxn:4:213071:227386,CC(C)(C)OC(=O)N1CCC(Cn2ccc(-c3cnn(C4CCCCC4)c3)n2)CC1,GSSPTIZHGKFLSP-UHFFFAOYSA-N
rxn:4:213073:223530,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,WODQVDQBLLKFHZ-UHFFFAOYSA-N
rxn:4:213077:227279,CC(C)n1nc(C2CC2)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)F,ASUAGXZRBJAEHL-UHFFFAOYSA-N
rxn:4:213078:225995,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(C#N)ccc3OC(F)(F)F)c2C(F)F)CC1,SUXPLVBLDVYHKB-UHFFFAOYSA-N
rxn:4:213078:226607,CC(C)Oc1cc(Cl)cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1F,SGQYVDJVQSCYBA-UHFFFAOYSA-N
rxn:4:213078:228010,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(Cl)ccc3C3CC3)c2C(F)F)CC1,RLUZRMHSVJOVLO-UHFFFAOYSA-N
rxn:4:213081:223521,CC(c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PJAMGIRLUKOOEV-UHFFFAOYSA-N
rxn:4:213088:223932,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2C#N)CC1,FCXMNSKOVKRVBE-UHFFFAOYSA-N
rxn:4:213093:225992,CC(C)Cn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)c(C(F)(F)F)n1,IJCCYKHNUPNFCV-UHFFFAOYSA-N
rxn:4:213095:226511,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cc(Cl)cnc2OCC2CC2)CC1,CCLSBEVJLFILDN-UHFFFAOYSA-N
rxn:4:213096:223889,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc2C#N)CC1,JWOINZFLLRAILZ-UHFFFAOYSA-N
rxn:4:213097:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)c2Cl)CC1,GLHSZSSYYGLNBQ-UHFFFAOYSA-N
rxn:4:213097:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,JCMRKUAUKXEORU-UHFFFAOYSA-N
rxn:4:213100:228214,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(C4CC4)cc3F)c(C(F)(F)F)n2)CC1,KBVKUVCKCCTLRY-UHFFFAOYSA-N
rxn:4:213109:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,CLJJYDWKUHDVCX-UHFFFAOYSA-N
rxn:4:213128:226541,COC(=O)c1ccc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)cc1OC,KXZAGOSBXHPLBQ-UHFFFAOYSA-N
rxn:4:213129:224356,COc1nc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cn1C1CCN(C(=O)OC(C)(C)C)CC1,CPOSJUZPBGYKQU-UHFFFAOYSA-N
rxn:4:213139:224986,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4)cc3C#N)cc2[N+](=O)[O-])CC1,ZQXSYYZKFWJVMQ-UHFFFAOYSA-N
rxn:4:213143:224347,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3-c3ccccc3C(F)(F)F)ccc2[N+](=O)[O-])CC1,FUOVUIQYXSDOHW-UHFFFAOYSA-N
rxn:4:213143:224380,Cc1nccn1-c1ccc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(F)(F)F,ISCNIZHCKKXVOK-UHFFFAOYSA-N
rxn:4:213144:226037,COc1c(C(F)(F)F)ccc(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1F,NBCPEXPRNIWNEN-UHFFFAOYSA-N
rxn:4:213202:223508,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)CC2)nn1,VSACDFSKOVOMDT-UHFFFAOYSA-N
rxn:4:213217:226222,CCCCCOc1ccc(-c2cnc(N3CCN(CC)CC3)c(C(=O)OC(C)(C)C)c2)cn1,VIUZITJTFLNYCE-UHFFFAOYSA-N
rxn:4:213217:227468,CCN1CCN(c2ncc(-c3cnc(N(CC)CC)nc3)cc2C(=O)OC(C)(C)C)CC1,ZCRPPELCLGQBPF-UHFFFAOYSA-N
rxn:4:213225:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)c(Cl)c2)CC1,QLRXDUCFLVUIOK-NDEPHWFRSA-N
rxn:4:213225:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cn2)CC1,VUUVFFSLZFOKIZ-MHZLTWQESA-N
rxn:4:213226:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cc21,XUGUNMFITRVSJO-LJAQVGFWSA-N
rxn:4:213259:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc2Cl)CC1,CMXPBTFOCMUUBP-UHFFFAOYSA-N
rxn:4:213259:226718,COc1nc(OC)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)cc1SC,QGDLUSQBJLYWDG-UHFFFAOYSA-N
rxn:4:213320:224603,COC(=O)c1nc(-c2cccc3c2cnn3C2CCCCO2)n2c1CN(C(=O)OC(C)(C)C)CC2,AWTJMTFTRSUBHL-UHFFFAOYSA-N
rxn:4:213320:226182,COC(=O)c1nc(-c2cccnc2C2CCCCC2)n2c1CN(C(=O)OC(C)(C)C)CC2,JQUXUQMHMYRODB-UHFFFAOYSA-N
rxn:4:213428:223492,Cc1cc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MSHLUJYKYOXANE-YTTGMZPUSA-N
rxn:4:213428:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)ccc2c1,OIVJLHJDBKXZLU-LJAQVGFWSA-N
rxn:4:213474:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)ccc21,CLVYYPNJYOFCQA-YTTGMZPUSA-N
rxn:4:213474:225297,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cccc(S(=O)(=O)N5CCCC5)c4)ccc2-3)[nH]1,KJWZWDUBWLZLBM-YTTGMZPUSA-N
rxn:4:213476:228830,Cc1c(F)ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c1F,WQRMPKZJNLTINO-JJJRJVJOSA-N
rxn:4:213657:224760,CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)CO1,CDPLDERTLOIKQY-LJQANCHMSA-N
rxn:4:213758:223695,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,HIEGNHVHMPMECV-UHFFFAOYSA-N
rxn:4:213764:222948,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,HIAUHMXSUVGVJU-UHFFFAOYSA-N
rxn:4:213770:222769,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)cn2)C1,BUUFTJKLINMREM-UHFFFAOYSA-N
rxn:4:213770:224160,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)C1,WDLSGGGIYJRBRE-UHFFFAOYSA-N
rxn:4:213786:223699,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)C1,KXOIXQWHULOKCN-UHFFFAOYSA-N
rxn:4:213798:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2Cl)CC1,HCHRLRXLXDGFLG-UHFFFAOYSA-N
rxn:4:213798:223520,CC(c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,BOTJGAURBTUVQW-UHFFFAOYSA-N
rxn:4:213801:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cncc(C2CN(C(=O)OC(C)(C)C)CCO2)n1,KFAHWLNYUSGCQG-UHFFFAOYSA-N
rxn:4:213807:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CC(Cn5nc(C)ccc5=O)C4)cc3)cc2)CC1,RXHPVFPKTDXDAN-UHFFFAOYSA-N
rxn:4:213836:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,WGHMWQVYWBAWOD-UHFFFAOYSA-N
rxn:4:213840:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nccn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,LNDXHTLMZGCXDI-UHFFFAOYSA-N
rxn:4:213860:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1,DWLNAXFDMFVJCW-UHFFFAOYSA-N
rxn:4:213875:225312,CN1CCCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,YYYYOUGNODIEGG-UHFFFAOYSA-N
rxn:4:213882:222628,O=S1(=O)CCC(CN2CC(Cn3cc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cn3)C2)CC1,AZGYMQSYFBIEFC-UHFFFAOYSA-N
rxn:4:213883:225990,CCCCn1nc(C(F)(F)F)cc1-c1sc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,TUUHVTASYUOVNR-UHFFFAOYSA-N
rxn:4:213891:225758,CC(C)(C)OC(=O)c1cnccc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1,NZOMXAIVTBQFAU-UHFFFAOYSA-N
rxn:4:213892:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,SYCKKJDOWBYBJY-UHFFFAOYSA-N
rxn:4:213895:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)CC1,FXNKNMYFVQAMTJ-UHFFFAOYSA-N
rxn:4:213897:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,HOGZSWAGBMBWKO-UHFFFAOYSA-N
rxn:4:213899:224916,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(N2CCCC(C)C2)cc1C,IQJBCKLQJKVQJL-UHFFFAOYSA-N
rxn:4:213900:223774,COc1cccc2c1cc(-c1cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc1)n2C(=O)OC(C)(C)C,XMKAFZMXHSFTBV-UHFFFAOYSA-N
rxn:4:213902:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc21,GMSVHAOGKBBXLD-UHFFFAOYSA-N
rxn:4:213905:223834,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OSMOHYFUBHAKAT-UHFFFAOYSA-N
rxn:4:213920:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)cc2Cl)CC1,UPMWYIIUPKECNB-UHFFFAOYSA-N
rxn:4:213941:223169,Cc1c(-c2cnc(C3CCNCC3)nc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,MKOVPGQYWKKJER-UHFFFAOYSA-N
rxn:4:213944:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)[nH]1,OPRADJDQLGIIGS-UHFFFAOYSA-N
rxn:4:213948:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2cnc(OC3CCN(CC4CCCC4)CC3)nc2)cc1,HQXLAKMMWCKOKC-UHFFFAOYSA-N
rxn:4:213968:223505,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)c1,ZEMSOBGBQXXIPW-UHFFFAOYSA-N
rxn:4:213968:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cnc(OC2CCN(S(=O)(=O)c3cc(C)ccc3C)C2)nc1,BIDJNUGYAJDRFA-UHFFFAOYSA-N
rxn:4:213969:225269,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)c(C(=O)OC)c1,PZXPGSMCTKGCMB-UHFFFAOYSA-N
rxn:4:213979:224280,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)nn1,XWKOWEVIKCDWOJ-UHFFFAOYSA-N
rxn:4:213980:225287,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)n1,IQNSWZBFQLPVSE-UHFFFAOYSA-N
rxn:4:213999:223529,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,LEVRRSSGNPDPMS-UHFFFAOYSA-N
rxn:4:214005:228399,COc1c(F)cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1F,JXAQTNQMQAZSPN-UHFFFAOYSA-N
rxn:4:214010:225296,Cc1nn(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1S(=O)(=O)N1CCOCC1,RZUJFRSTHPPJTJ-UHFFFAOYSA-N
rxn:4:214011:224819,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCCC1,YCOXALJTRFUXMR-UHFFFAOYSA-N
rxn:4:214025:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N(C)c2ccccn2)CC1,TUWLFYCTNKKDFP-UHFFFAOYSA-N
rxn:4:214038:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OC4CCCN(S(=O)(=O)c5ccc(C)c(C)c5)C4)nc3)cc2C)CC1,NMTKJNUGDDIAPQ-UHFFFAOYSA-N
rxn:4:214041:223699,O=S(=O)(c1ccc(-c2ccc(-c3noc(C4CCN(S(=O)(=O)c5ccccc5)CC4)n3)cc2)c(C(F)(F)F)c1)N1CCOCC1,QMKPBRAUEARFNG-UHFFFAOYSA-N
rxn:4:214042:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)cc1,ZQGLMKLOXCWGFI-UHFFFAOYSA-N
rxn:4:214047:222810,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(NC(=O)OC(C)(C)C)ncc1Cl,GUCQJOZLLAKVDL-UHFFFAOYSA-N
rxn:4:214047:223774,COc1cccc2c1cc(-c1cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc1C)n2C(=O)OC(C)(C)C,GVSZPXCFZQIQMY-UHFFFAOYSA-N
rxn:4:214047:223807,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(OCc2cccc(C(F)(F)F)c2)cc1,XHIWOWKAMRMENN-UHFFFAOYSA-N
rxn:4:214048:224160,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,QCVXULSSPFMQHW-UHFFFAOYSA-N
rxn:4:214050:223660,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1F,ZMJPTJLVICOHSF-RTWAWAEBSA-N
rxn:4:214051:224754,CC(C)c1sc(-c2ccccc2S(=O)(=O)N2CCCCC2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,FBWKDPZZSUHSSB-UHFFFAOYSA-N
rxn:4:214054:228453,COC(=O)Cn1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cn1,FELKTLSWRHOGFN-UHFFFAOYSA-N
rxn:4:214065:222998,Cc1nn(C(=O)c2ccc(-c3cc(F)cc(C4CCCNC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,LPDMWXLOGBFELF-UHFFFAOYSA-N
rxn:4:214065:224327,Cc1nn(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,KSXYZVTYBXRAAH-UHFFFAOYSA-N
rxn:4:214065:226775,COC(=O)c1cc(F)c(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc1Cl,BITORBCHWRBOIJ-UHFFFAOYSA-N
rxn:4:214083:224316,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(F)cc(C(=O)N5CCN(C)CC5)c4)no3)CC2)cc1C,UITBVNJUDQJQGO-UHFFFAOYSA-N
rxn:4:214135:223697,CCN(CC)S(=O)(=O)c1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)nc2n1CCOC2,DLIKVOGQTZJGRL-UHFFFAOYSA-N
rxn:4:214135:225379,CCN(CC)S(=O)(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2n1CCOC2,YUPXDHHILGQKLD-UHFFFAOYSA-N
rxn:4:214146:226896,COCn1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,OODDMKSSRDQJNR-UHFFFAOYSA-N
rxn:4:214146:227279,CC(C)n1nc(C2CC2)cc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,CHISZHCZMOTFFD-UHFFFAOYSA-N
rxn:4:214185:225830,Cc1nc(N2CCCCC2)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,MUYFNCNFHAIVFG-UHFFFAOYSA-N
rxn:4:214229:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc2C1,MQLOFXIPJHUORY-UHFFFAOYSA-N
rxn:4:214229:223846,Cc1cc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)cc(C2CC3CCC2(C)C3(C)C)c1,OGSVDSCJYQLJLP-UHFFFAOYSA-N
rxn:4:214229:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)cnc1Cl,ULAIVEKNTNDABI-UHFFFAOYSA-N
rxn:4:214256:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,AGKRLDNHHKJSLY-UHFFFAOYSA-N
rxn:4:214256:228199,Cc1nn(C2CCC2)cc1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,BZSNFGBZAJOTEZ-UHFFFAOYSA-N
rxn:4:214256:228458,CSc1ncc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(SC)n1,VLGHEURSSXBUET-UHFFFAOYSA-N
rxn:4:214275:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)c1,SEUOUYMFOOKMCO-UHFFFAOYSA-N
rxn:4:214277:223490,Cc1ccc(-c2cc3c(cnn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WHUISPYWRMEEGJ-UHFFFAOYSA-N
rxn:4:214292:225747,Cc1ccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)n1C(=O)OC(C)(C)C,JMXMHAFKCWXKDH-YYDVJCTNSA-N
rxn:4:214304:228331,CCOc1nccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1Cl,UIAANKGZBHYBBK-UHFFFAOYSA-N
rxn:4:214304:228402,COc1c(Cl)ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1F,QZQTWPYPFHKMAD-UHFFFAOYSA-N
rxn:4:214320:224161,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cc32)CC1,WFTSHSBUKKKQNF-UHFFFAOYSA-N
rxn:4:214321:222504,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4ccc(F)c(C(=O)NCc5ccc(F)cc5)c4)ccc32)CC1,FNVZXYLMDGHGGE-UHFFFAOYSA-N
rxn:4:214338:223847,CCCCCC1CCC(c2ccc(-c3cccc4c3n(C)c(=O)n4C3CCC(=O)N(Cc4ccc(OC)cc4)C3=O)cc2)CC1,MJCZDAGRCAILNE-UHFFFAOYSA-N
rxn:4:214361:228020,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(F)cccc4C4CC4)ccc32)CC1,GOZFUTDHDNBICS-AEYCYMPSSA-N
rxn:4:214616:223695,CC(C)N1CC(Cn2cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,HSWDIIZANNJIJI-UHFFFAOYSA-N
rxn:4:214703:224377,CN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc([N+](=O)[O-])c2)CC1,RNDUYXZPAVVYAY-UHFFFAOYSA-N
rxn:4:214753:222827,CC(C)N1CCN(C(=O)c2ncc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)cc2Cl)CC1,CDBHTRGOMAVESI-UHFFFAOYSA-N
rxn:4:214772:225368,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)cn2)CC1,UOFVAPJYIQQAGP-UHFFFAOYSA-N
rxn:4:214773:222622,CCC(C)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc(C2CCCNC2)n1,MFAFTCUCLUDCOZ-UHFFFAOYSA-N
rxn:4:214838:225607,CC(c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)s1)N1CCCCC1,BSCUDVHKKZCWPJ-UHFFFAOYSA-N
rxn:4:214866:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,DDHNGDFYAQJONL-UHFFFAOYSA-N
rxn:4:214866:225977,O=C(C1CCCN(c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1)N1CCOCC1,ZGUXIDXTYZRRIJ-UHFFFAOYSA-N
rxn:4:214873:225655,CC1CCN(c2cncc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c2)CC1,JULRBMNPGCDUMT-UHFFFAOYSA-N
rxn:4:214881:228653,O=C(C1CCN(c2ncccc2-c2cnn3c2CCCC3)CC1)N1CCC(F)(F)CC1,MWPXFDSQNZQZIF-UHFFFAOYSA-N
rxn:4:214995:223482,CCOC(=O)C1CCc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nnn2C1,JRJNXUIGLRRWNH-UHFFFAOYSA-N
rxn:4:214995:223694,CCOC(=O)C1CCc2c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)nnn2C1,JYZIFMUXPAPPAS-UHFFFAOYSA-N
rxn:4:215027:223695,CC(C)(C)OC(=O)N1CCn2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c21,XIIQCFGQHMVMBG-UHFFFAOYSA-N
rxn:4:215054:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)c(F)cn2)CC1,LUGLSXMWEIXWOB-UHFFFAOYSA-N
rxn:4:215054:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)C4=O)cc2)CC1,UMZOQHJZBAPVTD-UHFFFAOYSA-N
rxn:4:215064:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2,KERNHJFNXDVPEA-UHFFFAOYSA-N
rxn:4:215088:223526,COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)n1nnc2cc(C)ccc21,OKBMOHVAZBYOEZ-UHFFFAOYSA-N
rxn:4:215102:224161,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2CC1,VRYBBTBGSJRGCB-UHFFFAOYSA-N
rxn:4:215107:225047,Cc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cnc1N1CCC(C)CC1,ILFIQQAAGPGVKE-UHFFFAOYSA-N
rxn:4:215214:226831,CCCn1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)c(C(F)(F)F)n1,VBTVJIKNLPAVCC-UHFFFAOYSA-N
rxn:4:215219:225302,CC(C)(C)c1cnc(C(F)(F)F)cc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,ZFXNJRPKIOWSJH-UHFFFAOYSA-N
rxn:4:215326:223491,COCn1ncnc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,SFSNOXHPANKTSS-UHFFFAOYSA-N
rxn:4:215686:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cn(C2CCCOC2)nc1[N+](=O)[O-],ANJJLLSPZZGTHR-UHFFFAOYSA-N
rxn:4:215785:223788,COc1c(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)nnn1C1CCCCC1,AAONLWRYULHXNK-UHFFFAOYSA-N
rxn:4:215820:223823,CN1CCC(Oc2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)CC1,NNFVKFOENFYMHD-UHFFFAOYSA-N
rxn:4:215842:224408,Cc1nn(C(=O)N2CCOCC2)c(C)c1-c1cc(C(F)(F)F)nn1C(=O)OC(C)(C)C,MHMUYAAVTCEFKD-UHFFFAOYSA-N
rxn:4:215897:223481,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,IKGWFHNYUNVEHG-UHFFFAOYSA-N
rxn:4:215898:224349,CS(=O)(=O)N1CCC(c2cnc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cn2)CC1,YDRMIZXRMPVNIE-UHFFFAOYSA-N
rxn:4:215905:224835,Cc1nc(N2CCOCC2)c(C#N)c(C)c1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,QVHGREXNNXZQBX-UHFFFAOYSA-N
rxn:4:215956:223847,CCCCCC1CCC(c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,PLQIRQRRAAFIMC-UHFFFAOYSA-N
rxn:4:215965:222623,CCC(C)c1cc(-c2cc(N3CCC(C)CC3)nc(C3CC3)n2)cc(C2CCNCC2)n1,YSGDZLWZXFPPSO-UHFFFAOYSA-N
rxn:4:215968:224408,CC1CCCCN1c1cc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)nc(C2CC2)n1,VURWDVTWKQLGLC-UHFFFAOYSA-N
rxn:4:215970:224376,CSc1ncc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(N2CCC3(CC2)OCCO3)n1,KYLGFNIYJNBXKO-UHFFFAOYSA-N
rxn:4:215970:225285,CSc1ncc(-c2cnc(CC(C)C)c(C(F)(F)F)c2)c(N2CCC3(CC2)OCCO3)n1,AACWOSQGIGRAKY-UHFFFAOYSA-N
rxn:4:215974:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(N3CCOCC3)C2)nc1,OSUGUMBBSKDYMD-UHFFFAOYSA-N
rxn:4:216164:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1,QPDJTSVZEOJIMJ-UHFFFAOYSA-N
rxn:4:216252:224365,CCCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc(C(F)(F)F)c1F,XFEUUTUACIURSN-UHFFFAOYSA-N
rxn:4:216252:225867,CC(=O)N1CCc2c(c(-c3cnc(Cl)c(N4CCCCC4)c3)nn2C2CCOCC2)C1,KEWYHKDICSYZKG-UHFFFAOYSA-N
rxn:4:217087:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(Cl)nc3N3CCOCC3)c2)CC1,BEDQKBGDNIYHEY-UHFFFAOYSA-N
rxn:4:217094:223602,Cc1nnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)n1C1CCCC1,NVDMGHQGTRFREQ-UHFFFAOYSA-N
rxn:4:217153:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1N1CCCCC1,AGFKFPMCYNZXHU-UHFFFAOYSA-N
rxn:4:217204:222524,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(N2CCC(C)CC2)n1,SIEYFSHFYPYYOC-UHFFFAOYSA-N
rxn:4:217204:223841,Cc1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc(N2CCC(C)CC2)n1,UNFGECVTIHLOBP-UHFFFAOYSA-N
rxn:4:217205:223835,Cc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc(N2CCCC(C)C2)n1,LGLNGTRVQSOSLZ-UHFFFAOYSA-N
rxn:4:217634:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2nc3n(c2S(N)(=O)=O)CCOC3)CC1,BUOWYLKNNGBWFN-UHFFFAOYSA-N
rxn:4:217860:223841,Cc1cc(F)c(-c2cc3n(n2)CC(=O)N(C(C)C)CC3)cc1S(=O)(=O)N1CCN(C)CC1,URPRUMISTFMMKL-UHFFFAOYSA-N
rxn:4:217894:223834,Cc1cc(-c2c(C)nn3c(C(F)(F)F)c4c(nc23)CCC4)cc(C)c1S(=O)(=O)N1CCN(C)CC1,HJRMWOZGFWANAW-UHFFFAOYSA-N
rxn:4:217898:223903,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccccc1CCC(=O)N1CCC(=O)CC1)CCCC3,TUPXYEABKIUDBW-UHFFFAOYSA-N
rxn:4:218471:223532,CN1CCn2nc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1=O,FLBSRFKQLNDFQB-UHFFFAOYSA-N
rxn:4:218642:223774,COc1cccc2c1cc(-c1cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c1)n2C(=O)OC(C)(C)C,YKGLODDFQWHHTG-UHFFFAOYSA-N
rxn:4:218642:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)ccc21,HGFWGVFOWLNDIR-UHFFFAOYSA-N
rxn:4:218704:223526,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)n[nH]2)CC1,QACRQDUNABIZNB-UHFFFAOYSA-N
rxn:4:218711:225534,CCN(CC)Cc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1Cl,OWDPIFYFSUKSSB-UHFFFAOYSA-N
rxn:4:218755:223880,Cc1ccc2c(c1)cc(-c1cc3c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n3CC#N)n2C(=O)OC(C)(C)C,LEFQMPFBOSBSQI-UHFFFAOYSA-N
rxn:4:218778:223823,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc(Cl)cc32)cc(C)c1F,SDVZWVGUZFMHNZ-UHFFFAOYSA-N
rxn:4:218778:223928,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc(Cl)cc32)cc(C)c1F,CECDVHLJKFAIKH-UHFFFAOYSA-N
rxn:4:218851:223573,CN(c1cnc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CN(C(=O)OC(C)(C)C)C1,SYCYGHUDHGVLEU-UHFFFAOYSA-N
rxn:4:218948:224928,COC(=O)c1ccc2cc(-c3cnc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2c1,CLSWNDODICBUFM-UHFFFAOYSA-N
rxn:4:218964:224658,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(N5CCN(C(C)=O)CC5)cc4)cn3)C2)CC1,GOWDMUJYRIPPET-UHFFFAOYSA-N
rxn:4:218965:223596,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,ZZAGNDLEOKIZKT-UHFFFAOYSA-N
rxn:4:218992:224820,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)CC1,RFFPANVJVFVAPN-UHFFFAOYSA-N
rxn:4:219011:224276,CN(c1cnc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,CONXDDMWHKMGDP-UHFFFAOYSA-N
rxn:4:219011:227266,CCOCc1cc(F)ccc1-c1cnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,JCTZTSYNBOVMJZ-UHFFFAOYSA-N
rxn:4:219028:224052,CCCc1ccc(-c2ccc(-c3c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cnn3C)c(F)c2)cc1,REAYGHLETTUFOY-UHFFFAOYSA-N
rxn:4:219031:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)cc2)CC1,NIWLXKNFFMPNTA-UHFFFAOYSA-N
rxn:4:219363:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(S(=O)(=O)c4cnn(C)c4)C3)ccc2C)CC1,HPHDLJXHVRLNHQ-UHFFFAOYSA-N
rxn:4:219370:225227,CC1CCN(c2ncc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,RGNZFMAXQBMNSX-UHFFFAOYSA-N
rxn:4:219373:225640,CC1CCCCN1c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccn1,VTALRDZEKHBXIA-UHFFFAOYSA-N
rxn:4:219375:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1,SWKUKOYJULJUNX-UHFFFAOYSA-N
rxn:4:219375:226427,CC1CCN(c2csc(-c3cn(C4CCCN(C(=O)OC(C)(C)C)C4)nn3)c2)CC1,MWGMZJAVIGZRLM-UHFFFAOYSA-N
rxn:4:219401:223480,Cc1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,INXFDQTZKZZKGN-UHFFFAOYSA-N
rxn:4:219401:225830,Cc1nc(N2CCCCC2)ncc1-c1nnc(N2CCCN(C(=O)OC(C)(C)C)CC2)s1,DWXPAZPPUFAZID-UHFFFAOYSA-N
rxn:4:219406:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)CC1,ABLONXCLWPGXNX-UHFFFAOYSA-N
rxn:4:219432:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccnc3OC3CCN(S(=O)(=O)c4cn(C)c(C)n4)C3)c2)CC1,QYIFGNCUJILMRC-UHFFFAOYSA-N
rxn:4:219452:225653,Cc1nc(-c2ccc(N3CCCCC3C)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,LBTCPJCVJWALCY-UHFFFAOYSA-N
rxn:4:219453:225124,CC(C)N1CCC(N2CC(Cn3cc(-c4ccnc(OCC5CCOCC5)c4)cn3)C2)C1=O,GKNAPNJVFQYITN-UHFFFAOYSA-N
rxn:4:219455:222946,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cnc(N3CCCCC3O)nc2Cl)n[nH]1,HJOHBBDYWZSZJA-UHFFFAOYSA-N
rxn:4:219469:227596,CSc1ncc(-c2cnc(N3CCCC3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,DJAPAHOYFYVMLM-UHFFFAOYSA-N
rxn:4:219487:223773,COc1cccc2cc(-c3cnc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,DFFHLEVFYZUXTJ-UHFFFAOYSA-N
rxn:4:219487:226541,COC(=O)c1ccc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1OC,PAZLWQVIUVVKAH-UHFFFAOYSA-N
rxn:4:219489:227611,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnn1C1CCCCO1,ILUJPDGPVWAAHT-UHFFFAOYSA-N
rxn:4:219498:224320,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,IGLJTGGOIOEPIZ-UHFFFAOYSA-N
rxn:4:219530:227306,Cc1nc(OC(C)C)ccc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,NFLNZOBBAXFSMV-UHFFFAOYSA-N
rxn:4:219530:228306,CC(C)Sc1ncc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cn1,XYYKWWPQXNSRIH-UHFFFAOYSA-N
rxn:4:219533:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(SC)nc1N1CCCC(C(=O)N2CCOCC2)C1,MXWRLPFDGWJOOI-UHFFFAOYSA-N
rxn:4:219533:224904,CSc1ncc(-c2ccc(C(=O)C3CCCCC3)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,QQTDLXCZRIXZNO-UHFFFAOYSA-N
rxn:4:219551:228214,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CC5)cc4F)cn3)CC2)C1=O,DGLONTBJCIGXJD-UHFFFAOYSA-N
rxn:4:219551:228306,CC(C)Sc1ncc(-c2cnc(OC3CCN(C4CCN(C(C)C)C4=O)CC3)nc2)cn1,HMSRTXUAMSZGKX-UHFFFAOYSA-N
rxn:4:219578:223659,Cc1csc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)c(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)n12,NZKHEJQWKZBMKF-UHFFFAOYSA-N
rxn:4:219639:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)C3)nn2c1,RGQBUPUJAIJNQH-UHFFFAOYSA-N
rxn:4:219654:223776,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cc23)CC1,LUHAIYQQLVANJT-UHFFFAOYSA-N
rxn:4:219689:222457,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)n3c2)CC1,JWSRTGOFILINRF-UHFFFAOYSA-N
rxn:4:219706:223652,COc1ccc(Cl)c2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)n(C(=O)OC(C)(C)C)c12,BHNNCTVFGYSCQZ-UHFFFAOYSA-N
rxn:4:219706:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)ccn2)CC1,JHYASNCLWVIWFU-UHFFFAOYSA-N
rxn:4:219750:223506,COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,QQNADLOAODLEHR-UHFFFAOYSA-N
rxn:4:219780:228217,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)cnc5C(C)C)c(C(F)F)cc43)nn2C2CCOCC2)C1,VIRXBCGIJFRKMI-UHFFFAOYSA-N
rxn:4:219862:223505,Cc1cc(OC2CN(c3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)ccn1,JDFAYKOQFMRCSI-UHFFFAOYSA-N
rxn:4:219880:224323,CSc1ncc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,UJARGXRXQVAOLN-UHFFFAOYSA-N
rxn:4:219880:225155,CSc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)c(N2CCN(S(C)(=O)=O)CC2)n1,ZJVPNOXFBGPEQS-UHFFFAOYSA-N
rxn:4:219880:225890,CSc1ncc(-c2cnn(COCC[Si](C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,KDHIFACZMHGBLL-UHFFFAOYSA-N
rxn:4:219950:222928,CSc1ncc(-c2cnc(N3CCC(O)CC3)nc2C)c(N2CCN(C3CCC3)CC2)n1,LVQJXWHUWDRTJP-UHFFFAOYSA-N
rxn:4:219950:224376,CSc1ncc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(N2CCN(C3CCC3)CC2)n1,RBEMLZNFCMQOHB-UHFFFAOYSA-N
rxn:4:219950:225898,CSc1ncc(-c2cnn(CCN3CCOCC3)c2)c(N2CCN(C3CCC3)CC2)n1,UQAYCENVFARYPT-UHFFFAOYSA-N
rxn:4:219958:223845,COc1ccccc1N1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,VCUDYPSNSWJSMS-UHFFFAOYSA-N
rxn:4:219998:227861,O=C(C1CCN(c2ncc(-c3cnc4c(c3)CCCC4)cn2)CC1)N1CCC(F)(F)CC1,JGKJFZBYLAJMKH-UHFFFAOYSA-N
rxn:4:219998:228460,COc1ncnc(OC)c1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,DNVJVYSUMVABDC-UHFFFAOYSA-N
rxn:4:220034:224323,Cc1cc(-c2nc3n(n2)CCN(C(=O)CC(C)C)C3)cc(C)c1S(=O)(=O)N1CCCC1,MKOYXJMBHGNGAU-UHFFFAOYSA-N
rxn:4:220034:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1nc2n(n1)CCN(C(=O)CC(C)C)C2,UPDRLJUDWLCXON-UHFFFAOYSA-N
rxn:4:220038:223492,Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DQADHOJVPNTDMH-UHFFFAOYSA-N
rxn:4:220038:224408,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)C1,KACXPOPUEMFAPH-UHFFFAOYSA-N
rxn:4:220041:223985,COc1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCCCC1,MXUCNQZEKIMTMW-UHFFFAOYSA-N
rxn:4:220069:225004,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(CN4CCC(=O)CC4)cc3)n2CC1,OVYPIPPKJNHXGW-UHFFFAOYSA-N
rxn:4:220161:223556,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc6c(c5)c5ccccc5n6C(=O)OC(C)(C)C)c(C)c4)C3C2=O)c1,GLIVAAKOXWYLIE-UHFFFAOYSA-N
rxn:4:220161:224352,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C6CCCOC6)c(C(F)(F)F)c5)c(C)c4)C3C2=O)c1,OCEOWMDKOFILPB-UHFFFAOYSA-N
rxn:4:220938:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(Cl)ncnc4n3C3CCCCO3)c(F)cc2C)CC1,RVSOWDQDTCZOPX-UHFFFAOYSA-N
rxn:4:221112:224406,CCOc1ccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,FPCUHXBUBKHRQL-UHFFFAOYSA-N
rxn:4:221114:226643,CCOc1ccc(-c2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,IEQNQLHCZYXBLM-UHFFFAOYSA-N
rxn:4:221157:224406,O=C(c1cncc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)N1CCN(CCn2ccnc2)CC1,PUJOYORZSGEWFA-UHFFFAOYSA-N
rxn:4:221182:225183,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(OC5CCCCC5)nc4F)cn3)CC2)C1=O,CLRWXOYZCDGTHG-UHFFFAOYSA-N
rxn:4:221198:225165,COc1cc(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)ccc1N1CCOCC1,CJLWZNJALJWZPH-UHFFFAOYSA-N
rxn:4:221203:223138,c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc(C2CCNCC2)n1,LNQALZGTVHBPCQ-UHFFFAOYSA-N
rxn:4:221203:223835,Cc1cc(F)c(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,CUGBPGFALASQTB-UHFFFAOYSA-N
rxn:4:221205:223136,c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c(C2CCCNC2)cn1,WSMRKENUXREJHK-UHFFFAOYSA-N
rxn:4:221208:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c3cc(Cl)cnc32)cc1,UHYAIFIPQUEKDC-UHFFFAOYSA-N
rxn:4:221208:224612,Cc1cc(N2CCN(CCc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,FYCGOOOEWPYUAP-UHFFFAOYSA-N
rxn:4:221425:223697,O=S(=O)(c1ccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c(C(F)(F)F)c1)N1CCCCC1,XRCMOBPXWXUROX-UHFFFAOYSA-N
rxn:4:221425:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,IOOGZQXVZMGJIW-UHFFFAOYSA-N
rxn:4:221433:226473,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccnc4OCCN(C)C)cc3)CC2)n1,WHKJKTNPPOJYEU-UHFFFAOYSA-N
rxn:4:221498:223588,Cc1cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,XEYBMPWSZUINDW-UHFFFAOYSA-N
rxn:4:221522:223490,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(C)c(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,IIRWPRWPWZDRKQ-UHFFFAOYSA-N
rxn:4:221596:224393,COCn1nc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)nc1N1CCN(C)CC1,JKOHSRULIALGDO-UHFFFAOYSA-N
rxn:4:221639:223646,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cn3)CC2)n1,OXQAPAYTEQSKPD-UHFFFAOYSA-N
rxn:4:221730:223889,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,ISKBHWNJGUMJDX-UHFFFAOYSA-N
rxn:4:221887:223834,Cc1cc(-c2n[nH]c(N3CCCN(C)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BLVJUTUWYULAHP-UHFFFAOYSA-N
rxn:4:221961:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)cc2)CC1,KLYBTKHUJCLFIE-UHFFFAOYSA-N
rxn:4:221971:222910,CCCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)c(C)c1,PHQFXOIAPZVFFU-UHFFFAOYSA-N
rxn:4:221978:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)c1,FJHDFIYNPACESA-UHFFFAOYSA-N
rxn:4:222039:224754,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCCCC2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,JQEWMFNRMOQXQC-UHFFFAOYSA-N
rxn:4:222039:227680,O=C(c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,UHLABKOYZSUHJB-UHFFFAOYSA-N
rxn:4:222053:225165,CCc1cc(N2CCN(c3ncc(-c4ccc(N5CCOCC5)c(OC)c4)cn3)CC2)nc(C(C)(C)C)n1,SKATTYIKYNPAHD-UHFFFAOYSA-N
rxn:4:222152:223637,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,UQGXSBJXUOYADH-UHFFFAOYSA-N
rxn:4:222154:224835,Cc1nc(N2CCN(c3ncc(-c4cc(C(F)(F)F)nn4S(=O)(=O)N(C)C)cn3)CC2)cc(C(F)(F)F)n1,VBBMIEDMGQJQJN-UHFFFAOYSA-N
rxn:4:222155:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)c2)CC1,KEVKDFBDHFYFRE-UHFFFAOYSA-N
rxn:4:222168:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c2)CC1,ZDTIPMGZZJZTKY-UHFFFAOYSA-N
rxn:4:222194:226836,CC(C)n1cc(-c2cnc(N3CCN(c4nc(C(C)(C)C)nc5c4CCC5)CC3)nc2)c(C(F)(F)F)n1,YSOGMIXMXOVJQX-UHFFFAOYSA-N
rxn:4:222329:222826,O=S(=O)(c1cccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)c1)N1CCNCC1,XCDYHHIEXHVLLT-UHFFFAOYSA-N
rxn:4:222337:223061,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CCNCC5)ncc4F)cn3)CC2)n1,AHYVPHWDXUDPOH-UHFFFAOYSA-N
rxn:4:222394:186918,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCC(F)(F)C3)cc2)cc1,CKAXSZGOVSMTFR-MEMLXQNLSA-N
rxn:4:222722:189926,O=S(=O)(Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1)N1CCOCC1,NNHNDCNFHGDSMU-UHFFFAOYSA-N
rxn:4:222723:215897,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,QNOULSSJVKHGQQ-UHFFFAOYSA-N
rxn:4:222741:218875,CN1CCN(c2oc(COc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)nc2C#N)CC1,CCTLMAHHIFDMSC-UHFFFAOYSA-N
rxn:4:223540:205127,COC(=O)c1cnc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(Cl)n1,OXXPDOZVQSUBIZ-UHFFFAOYSA-N
rxn:4:223540:208467,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(C)nc1C(F)(F)F,JJEHGNKPZLWSBH-UHFFFAOYSA-N
rxn:4:223540:215027,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn2c1N(C(=O)OC(C)(C)C)CC2,JYGGEMYXSUNKQE-UHFFFAOYSA-N
rxn:5:176862:225935:226837,COC(=O)c1ccc(-c2cc(C(C)C)nc(C(F)(F)F)c2)c(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,NXZUZRABCYUDFK-UHFFFAOYSA-N
rxn:5:176864:225849:226837,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,RXBVWXWBRSOYOA-UHFFFAOYSA-N
rxn:5:176864:226054:226837,COC(=O)c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,XNSWHRLQZDIPBZ-UHFFFAOYSA-N
rxn:5:177185:225873:225871,CC(C)OC(=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,WKJJUXQROQGZML-UHFFFAOYSA-N
rxn:5:177734:226188:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(C(=O)OC(C)C)c(C)cc2-c2cc(C)c([Si](C)(C)C)cc2C)cc1C,ONQYMUXLVRKYKT-UHFFFAOYSA-N
rxn:5:177735:223082:226188,CNS(=O)(=O)c1c(C)cc(-c2cc(C(=O)OC(C)C)cc(C)c2-c2cc(C)c([Si](C)(C)C)cc2C)cc1C,UADANWJYROSUBN-UHFFFAOYSA-N
rxn:5:177735:226188:223082,CNS(=O)(=O)c1c(C)cc(-c2c(C)cc(C(=O)OC(C)C)cc2-c2cc(C)c([Si](C)(C)C)cc2C)cc1C,NEARLVCVGGYUFQ-UHFFFAOYSA-N
rxn:5:177891:226837:229049,Cc1nn(CC(F)(F)F)c(C)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnc2n1CCC2,VQEMCMKSSOFTAD-UHFFFAOYSA-N
rxn:5:177891:226900:228171,CCOc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc1F,CJSWYKZQDHFDHW-UHFFFAOYSA-N
rxn:5:177891:226900:228467,COC(=O)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c(F)s1,JIIXFALQPYYRHU-UHFFFAOYSA-N
rxn:5:177891:227978:226901,CC(C)c1ccc(F)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1,WWHPFIPYJIIHIR-UHFFFAOYSA-N
rxn:5:177891:228071:226029,CCOc1c(F)c(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc3c2OCCO3)c(F)c1F,SEHKQZDDQWARNE-UHFFFAOYSA-N
rxn:5:177971:223006:226457,Fc1ccc(-c2ccc(-c3ccc(C4CCOC4)c(F)c3)c(OCC3CCCC3)c2)cc1C1CCNCC1,RXRVDOWLIVMJGL-UHFFFAOYSA-N
rxn:5:178118:222996:225849,Fc1ccc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2OCC2CCCCO2)c(C2CCCNC2)c1,PIJYBWXPBDPAFQ-UHFFFAOYSA-N
rxn:5:178118:225672:225879,Fc1cc(-c2ccc(-c3ccc(N4CCOCC4)cc3F)cc2OCC2CCCCO2)cc(C2CCCCC2)n1,VIMDXNIMGMZLGE-UHFFFAOYSA-N
rxn:5:178122:225394:226464,COc1ccc2c(c1-c1cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc1COC1CCCCO1)OCCO2,ZFGZJPRELCCQOG-UHFFFAOYSA-N
rxn:5:178122:225394:227057,COc1cccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1C1CC1,DIHXNZXVRSNQJC-UHFFFAOYSA-N
rxn:5:178122:225394:227078,COc1ccc(C2CC2)c(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1,AWCKDQYSIYXREV-UHFFFAOYSA-N
rxn:5:178122:225435:227784,O=[N+]([O-])c1cc(-c2cc(-c3ccccc3CN3CCCCC3)ccc2COC2CCCCO2)cc(F)c1F,LKIVFXXDWZYWPM-UHFFFAOYSA-N
rxn:5:178122:225446:227056,COc1cccc(C2CC2)c1-c1cc(-c2cc(C)cc(OC3CCCC3)c2)ccc1COC1CCCCO1,AFSSIXMJWHSQBG-UHFFFAOYSA-N
rxn:5:178122:225499:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1COC1CCCCO1,VWNJSTFYKXYLRX-UHFFFAOYSA-N
rxn:5:178122:226907:225394,c1cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c2c(c1)C1(CC2)CC1,DJTZCWLDSYIKLY-UHFFFAOYSA-N
rxn:5:178122:226907:225407,c1cc(-c2ccc(COC3CCCCO3)c(-c3ccc(C4CCCCCC4)cc3)c2)c2c(c1)C1(CC2)CC1,XUUCNCFBNFQPGC-UHFFFAOYSA-N
rxn:5:178122:226907:225447,c1cc(-c2ccc(COC3CCCCO3)c(-c3ccc(OC4CCCCC4)cc3)c2)c2c(c1)C1(CC2)CC1,YPBZLVABGAOIKY-UHFFFAOYSA-N
rxn:5:178122:227054:225394,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)ccc1C1CC1,KXBUKUORCNBKHJ-UHFFFAOYSA-N
rxn:5:178122:227055:225394,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)cc1C1CC1,TULDEGCZBZSRCS-UHFFFAOYSA-N
rxn:5:178122:227056:225394,COc1cccc(C2CC2)c1-c1ccc(COC2CCCCO2)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,YTIRRBYDNKVWIU-UHFFFAOYSA-N
rxn:5:178122:227057:225394,COc1cccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1C1CC1,TXIKUEORQLSTKZ-UHFFFAOYSA-N
rxn:5:178122:227067:225394,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c(C2CC2)c1,OSUXJTXYQUYVEC-UHFFFAOYSA-N
rxn:5:178122:227073:225394,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)cc(C2CC2)c1,LUMJVROIXGMJQE-UHFFFAOYSA-N
rxn:5:178224:225394:226907,c1cc(-c2cc(OCC3CCCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c2c(c1)C1(CC2)CC1,BELAWKHYLRRQRT-UHFFFAOYSA-N
rxn:5:178224:228016:225794,c1nc(OC2CCCCC2)ncc1-c1cc(OCC2CCCCC2)cc(-c2cc(C3CCCC3)cs2)c1,VNRQZILBJHXHRA-UHFFFAOYSA-N
rxn:5:178225:225881:227094,Fc1nc(C2CCOCC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1cnccc1C1CCCC1,AHAINQNOKCOAMR-UHFFFAOYSA-N
rxn:5:178225:226060:226464,COc1ccc2c(c1-c1c(OCC3CCCCC3)cccc1-c1cc(C3CC3)cc(C3CC3)c1)OCCO2,RRSJWPVNNPMDDO-UHFFFAOYSA-N
rxn:5:178225:226424:227772,CC1CCCN(c2csc(-c3cccc(OCC4CCCCC4)c3-c3cncc(OC(F)(F)F)c3)c2)C1,LZEGQBWFWUDKQM-UHFFFAOYSA-N
rxn:5:178225:227205:225677,Fc1nc(C2CCCCC2)ccc1-c1c(OCC2CCCCC2)cccc1-c1cccc2c1OCCCO2,AKSVJDMUXXZVLM-UHFFFAOYSA-N
rxn:5:178226:226180:226050,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2c(F)cc(OC(F)(F)F)cc2F)cc(C2CCCC2)n1,UKMCAXZEULHPMK-UHFFFAOYSA-N
rxn:5:178226:226338:225498,Fc1ccc(C2CCCCC2)cc1-c1cccc(OCC2CCCCC2)c1-c1ccnc(OC2CCCC2)c1,DUQKLJHLTWXCID-UHFFFAOYSA-N
rxn:5:178226:226571:226457,Fc1cc(-c2cccc(OCC3CCCCC3)c2-c2cnn(CC3CCOCC3)c2)ccc1C1CCOC1,UWIYRSARILZKGE-UHFFFAOYSA-N
rxn:5:178295:226084:227611,COC(=O)C1(c2cc(-c3ccnn3C3CCCCO3)ccc2-c2ccc3c(c2)C(=O)CCCC3)CCC(=O)CC1,YPSCMLZYEUQNFM-UHFFFAOYSA-N
rxn:5:178295:228653:226652,COC(=O)C1(c2cc(-c3cc(C)nn3C3CCCCO3)ccc2-c2cnn3c2CCCC3)CCC(=O)CC1,QTWTYBXYOVFDHK-UHFFFAOYSA-N
rxn:5:178313:226836:228100,CCCn1nc(C)c(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cn(C(C)C)nc2C(F)(F)F)c1C,XJUPBGZYPNSVSW-UHFFFAOYSA-N
rxn:5:178368:226188:223082,CNS(=O)(=O)c1c(C)cc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)cc1C,VSWCSLJEWAKPQU-UHFFFAOYSA-N
rxn:5:178368:226188:226153,COc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)cc1C1CC1,AQYKICYTQBJCAZ-UHFFFAOYSA-N
rxn:5:178368:226188:226334,Cc1cc(C(=O)N(C)C)cc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)c1,HAEMAOYNSMAVFJ-UHFFFAOYSA-N
rxn:5:180020:226686:226665,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1OC1CCCC1=O,WMTFDJSQXDJNOO-UHFFFAOYSA-N
rxn:5:180022:225394:225407,COc1c(-c2ccc(C3CCCCCC3)cc2)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,MYGOWKSWRDPCMO-UHFFFAOYSA-N
rxn:5:180022:225394:226146,COc1c(-c2ccc(SC3CCCC3)cc2)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,JIEXXPCPIJSQAX-UHFFFAOYSA-N
rxn:5:180022:225451:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(SC3CCCCC3)cc2)c1C1OCCO1,UWTPUISLWHHYIM-UHFFFAOYSA-N
rxn:5:180022:226150:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2cccc(SC3CCCC3)c2)c1C1OCCO1,XGXLTFPVSSJNKF-UHFFFAOYSA-N
rxn:5:180022:226654:223065,COc1c(-c2ccc(N3CCNCC3)cc2F)ccc(-c2csc(N3CCC(C)CC3)n2)c1C1OCCO1,LBHZTEOQIOHBHY-UHFFFAOYSA-N
rxn:5:180202:223004:222998,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2OC2CCOCC2)cc(C2CCCNC2)c1,NWUQLQHJACPVER-UHFFFAOYSA-N
rxn:5:180202:225638:226843,CC1CCN(c2ccc(-c3ccc(OC4CCOCC4)c(-c4ccc(C(=O)C(F)(F)F)nc4)c3)cn2)CC1,OCUWPQXVSYZMEZ-UHFFFAOYSA-N
rxn:5:180202:226197:225679,Fc1cc(N2CCCCC2)ccc1-c1cc(-c2ccc(C3CCCOC3)cc2)ccc1OC1CCOCC1,ZNNQZJIKSXIPKE-UHFFFAOYSA-N
rxn:5:180204:223064:225677,Fc1nc(C2CCCCC2)ccc1-c1ccc(OC2CCOCC2)c(-c2ccc(C3CCNCC3)nc2F)c1,HBWRFPZYJDDIDM-UHFFFAOYSA-N
rxn:5:180421:225806:226069,Fc1cc(OC2CCCC2)ncc1-c1cc(CC2CCCCC2)ccc1-c1cccc(C2CCCCC2)c1,LZHMGSPPGKDNKI-UHFFFAOYSA-N
rxn:5:182013:225499:226583,Fc1cc(C2CCCCC2)ccc1-c1ccc(-c2ccc(CN3CCOCC3)s2)c(C2CCOCC2)c1,LRWSUBSRTWPQDL-UHFFFAOYSA-N
rxn:5:182013:226429:223008,CC1CCCN(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ccc4F)c(C4CCOCC4)c3)s2)C1,IWFJWILTTDCWMZ-UHFFFAOYSA-N
rxn:5:182947:225834:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(N3CCCCC3)ncc2F)cc2c1OCCC2=O,WASGYPSWIKVASP-UHFFFAOYSA-N
rxn:5:182949:225832:226425,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1-c1ccc(N3CCCCC3C)s1)OCCC2=O,QHKZINZMPYPWKJ-UHFFFAOYSA-N
rxn:5:183216:226837:227390,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3ccnn3C3CCCCC3)c1)OC(C)(C)CC2=O,SSFKKLGZFBMLHT-UHFFFAOYSA-N
rxn:5:188595:226652:226837,CCOc1c(-c2c(C)nn(CC(F)(F)F)c2C)cc(-c2cc(C)nn2C2CCCCO2)cc1[N+](=O)[O-],JTLJQFKFPTVGSP-UHFFFAOYSA-N
rxn:5:188632:225794:226029,CCOc1c(F)c(F)c(-c2cc(-c3cnc(OC4CCCCC4)nc3)c(OC)nc2C(=O)OC)c(F)c1F,UXGLRVOOMLRENW-UHFFFAOYSA-N
rxn:5:189001:222980:223186,COC(=O)C1(c2nc(-c3cnn(C4CCCCO4)c3)ccc2-c2ccc(CN3CCNCC3)cc2)CC1,JUXHWTATFXLZKI-UHFFFAOYSA-N
rxn:5:189001:223064:225849,COC(=O)C1(c2nc(-c3cnc(N4CCCCC4)cc3F)ccc2-c2ccc(C3CCNCC3)nc2F)CC1,JGBCMTIZGYAQEW-UHFFFAOYSA-N
rxn:5:189001:225597:226366,COC(=O)C1(c2nc(-c3ccnc(N4CCCCC4)c3)ccc2-c2ccc(OC3CCCCC3)nc2)CC1,HDKAMKTWSYMDJY-UHFFFAOYSA-N
rxn:5:189001:226425:223137,COC(=O)C1(c2nc(-c3cncc(C4CCCNC4)c3)ccc2-c2ccc(N3CCCCC3C)s2)CC1,BLFWJGGHTKLLGI-UHFFFAOYSA-N
rxn:5:189001:226664:225806,COC(=O)C1(c2nc(-c3cnc(OC4CCCC4)cc3F)ccc2-c2cc(N3CCCC3)ncc2F)CC1,QWOCSPXYHMVVIO-UHFFFAOYSA-N
rxn:5:189207:223427:225943,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2/C=N/O)ccc1-c1ccc(C(=O)N2CCOCC2)s1,OLMFDDCVOXWZFT-LQKURTRISA-N
rxn:5:189207:225436:229091,CC(=O)c1occc1-c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,HETARBCGBXIIMD-UHFFFAOYSA-N
rxn:5:189207:225583:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1ccccc1N1CCOCC1,FODUDTQITSVNRT-UHFFFAOYSA-N
rxn:5:189207:225620:228602,CC(=O)c1ccc(-c2ccc(-c3ccc(OC4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,GMAICLMNGOMUBC-UHFFFAOYSA-N
rxn:5:189207:226150:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1cccc(N2CCOCC2=O)c1,MONUGXLSQJWNCJ-UHFFFAOYSA-N
rxn:5:189207:226185:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,GBEXAZAPJXUYGA-UHFFFAOYSA-N
rxn:5:189207:226185:228343,COC(=O)c1sc(-c2ccc(-c3ccc(C4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1C,XIAGUWGNWAUONH-UHFFFAOYSA-N
rxn:5:189207:226900:228434,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(C(F)F)c(F)c1,UQQQVHWPBDLVET-UHFFFAOYSA-N
rxn:5:189207:226969:226969,O=C1CCCc2cc(-c3ccc(-c4ccc5c(c4)CCCC5=O)c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,PGSIZMVJONAADK-UHFFFAOYSA-N
rxn:5:189207:226980:227680,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1cccc2c1OC(F)(F)O2,IEXLDMDHAAAKIY-UHFFFAOYSA-N
rxn:5:189207:227546:226185,COC(=O)c1cccc(-c2ccc(-c3ccc(C4CCOCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,BMHGDUJONJPNFE-UHFFFAOYSA-N
rxn:5:189207:227764:227206,Cc1c(-c2ccc(-c3cc(F)c(C(F)F)c(F)c3)cc2C(=O)ON2C(=O)CCC2=O)ccc2c1COC2=O,BSJXNORVWQKAQN-UHFFFAOYSA-N
rxn:5:189207:227804:227868,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1-c1ccc2c(c1)OCCC2,COBIUGFGPMCHDB-UHFFFAOYSA-N
rxn:5:189207:227825:226411,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCC3)c2)ccc1-c1ccc(N2CCOCC2)cc1,AFXGFOJRUSFZKX-UHFFFAOYSA-N
rxn:5:189207:228071:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,JDBWFXKXKJUWLI-UHFFFAOYSA-N
rxn:5:189207:228071:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(-c2cccc3c2OCCO3)cc1C(=O)ON1C(=O)CCC1=O,YEENEQVYRRTADN-UHFFFAOYSA-N
rxn:5:189207:228077:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(-c2ccc3c(c2)C(=O)OC3)cc1C(=O)ON1C(=O)CCC1=O,KVYGSRMXGWDOMR-UHFFFAOYSA-N
rxn:5:189208:223186:228149,COC(=O)c1ccccc1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1C(=O)ON1C(=O)CCC1=O,VSGRLVYVRLFIPA-UHFFFAOYSA-N
rxn:5:189208:223389:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,LHLUUPFFAIHAJJ-UHFFFAOYSA-N
rxn:5:189208:225584:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccc(N2CCOCC2)cc1,MDDGGFGMUVGLSG-UHFFFAOYSA-N
rxn:5:189208:225584:227187,CN1Cc2c(cccc2-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)C1=O,LWNOMKSZVHOKOM-UHFFFAOYSA-N
rxn:5:189208:225873:228628,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1cc(C2CCC2)cs1,YDAARHUJTZKBCS-UHFFFAOYSA-N
rxn:5:189208:226047:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OC(F)(F)F)c(F)c2F)cc1-c1cccc2c1COC2=O,YLQSWLJEIWFICJ-UHFFFAOYSA-N
rxn:5:189208:226064:227804,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],INDJULDUWZUCMW-UHFFFAOYSA-N
rxn:5:189208:226186:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ARJZDVWJMRPHFB-UHFFFAOYSA-N
rxn:5:189208:226332:225986,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1-c1ccccc1N1CCCS1(=O)=O,YSUBYTAEYNHEHM-UHFFFAOYSA-N
rxn:5:189208:226333:228078,O=C1OCc2cc(-c3cc(-c4cccc(C(=O)N5CCC5)c4)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,RYWSXNPNNPSZIC-UHFFFAOYSA-N
rxn:5:189208:226415:227918,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)cc1-c1ccc(SC2CC2)cc1,OVZIKEGDMSKZIG-UHFFFAOYSA-N
rxn:5:189208:226415:228243,CC(=O)c1cccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)c1F,FUYCHUVIGAQMRN-UHFFFAOYSA-N
rxn:5:189208:226980:228343,COC(=O)c1sc(-c2cc(-c3cccc4c3C(=O)CCC4)ccc2C(=O)ON2C(=O)CCC2=O)cc1C,SDKABBJTSOJEPG-UHFFFAOYSA-N
rxn:5:189208:227081:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCCC3)cc2)cc1-c1ccccc1N1CCOCC1,FUWQFOZSTYCMON-UHFFFAOYSA-N
rxn:5:189208:227095:226158,O=C1CC(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4N4CCCCC4)c3)cc2)C1,GCWAYRQSZWCPHS-UHFFFAOYSA-N
rxn:5:189208:227183:226415,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4N4CCOCC4)c3)ccc2C1=O,RNEZDZAVYPGIEZ-UHFFFAOYSA-N
rxn:5:189208:227501:227095,O=C1CC(c2ccc(-c3cc(-c4ccc(C=C[N+](=O)[O-])cc4)ccc3C(=O)ON3C(=O)CCC3=O)cc2)C1,HZIASQSRPALLMV-UHFFFAOYSA-N
rxn:5:189208:227656:227546,COC(=O)c1cccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2C(=O)ON2C(=O)CCC2=O)c1F,ABFOVSUGUCSWPI-UHFFFAOYSA-N
rxn:5:189208:227804:227808,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])cc1-c1ccc2c(c1)CCCC2,GZBPJROEZUQPCJ-UHFFFAOYSA-N
rxn:5:189208:227872:225583,O=C1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(C(=O)N5CCCC5)c4)c3)ccc21,JIOHPJAWDRKXLV-UHFFFAOYSA-N
rxn:5:189208:228077:225810,COc1ccc(-c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2C(=O)ON2C(=O)CCC2=O)c(C2OCCO2)c1,OMJJBGDEDNGMRH-UHFFFAOYSA-N
rxn:5:189208:228150:226084,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)C(=O)CCCC4)c2)cc1,FPLDOXDKJBYUSD-UHFFFAOYSA-N
rxn:5:189208:228346:226971,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)CCCOC4)c2)c(C)s1,AFYDBENEEQBJPC-UHFFFAOYSA-N
rxn:5:189208:228498:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2cn(C)nc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,SCCWVYITBNTPJV-UHFFFAOYSA-N
rxn:5:189209:226069:228872,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C3CCCCC3)c2)c1,IVDLPCNCXZUKAX-UHFFFAOYSA-N
rxn:5:189209:226966:227679,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)cc(-c2ccc3c(c2)C(=O)CCC3)c1,FLLVPSTXJVZVKR-UHFFFAOYSA-N
rxn:5:189209:227386:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2cnn(C3CCCCC3)c2)c1,FOUFAJQUMXDDJP-UHFFFAOYSA-N
rxn:5:189209:228343:226464,COC(=O)c1sc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3c(OC)ccc4c3OCCO4)c2)cc1C,PBPUSPRDCCYPQU-UHFFFAOYSA-N
rxn:5:189209:229079:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2csc(C3CC3)n2)c1,LBWDFYKEAIVLDH-UHFFFAOYSA-N
rxn:5:189210:223186:228866,COCc1noc(C)c1-c1cccc(-c2cnn(C3CCCCO3)c2)c1C(=O)ON1C(=O)CCC1=O,VRCONYHHLXQYJY-UHFFFAOYSA-N
rxn:5:189210:225872:227207,O=C1CCOc2c1cccc2-c1cccc(-c2cc(F)c(F)c(N3CCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,FBMXPVTUTHLPGU-UHFFFAOYSA-N
rxn:5:189210:226185:226415,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1ccccc1N1CCOCC1,AZJJPXDWSREFHP-UHFFFAOYSA-N
rxn:5:189210:228193:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2cnn(C3CCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,KYFLKBSDTAMLPX-UHFFFAOYSA-N
rxn:5:189210:228340:227656,COc1nc(C2CC2)sc1-c1cccc(-c2cc(N3CCOCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,NVBFDRDJJGUPAK-UHFFFAOYSA-N
rxn:5:189211:223361:226415,CC(=NO)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccccc2N2CCOCC2)cc1,VDMIRFAAHYEIQS-UHFFFAOYSA-N
rxn:5:189211:225616:226469,CN1C(=O)COc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccccc3C(=O)N3CCCC3)cc21,MXGOKLXCAIVKKB-UHFFFAOYSA-N
rxn:5:189211:225810:228077,COc1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)C(=O)OC3)c(C2OCCO2)c1,SWQBLWOYXBXDMW-UHFFFAOYSA-N
rxn:5:189211:225871:228151,COC(=O)c1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3C(=O)C=CC3=O)c2)c1,QCHGLKNGQMJARH-UHFFFAOYSA-N
rxn:5:189211:225873:228628,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3=O)c2)c1-c1cc(C2CCC2)cs1,FMHRJVMEUHJWKW-UHFFFAOYSA-N
rxn:5:189211:225879:229091,CC(=O)c1occc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(N2CCOCC2)cc1F,OIFYEMFUKQFYDF-UHFFFAOYSA-N
rxn:5:189211:225943:229002,COc1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C(=O)N3CCOCC3)s2)cc1,GXUIQLRRGCTTQB-UHFFFAOYSA-N
rxn:5:189211:226187:227543,COC(=O)c1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(C3CCOCC3)c2)ccc1F,PWYYCKJGYRPDCN-UHFFFAOYSA-N
rxn:5:189211:226211:228340,COc1nc(C2CC2)sc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc2c(c1)CCN2C(C)=O,HEMVWSMKTIDDJJ-UHFFFAOYSA-N
rxn:5:189211:227095:226469,CN1C(=O)COc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C4CC(=O)C4)cc3)cc21,FWRFRQGMBCJXKI-UHFFFAOYSA-N
rxn:5:189211:227183:227501,CN1Cc2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3ccc(C=C[N+](=O)[O-])cc3)ccc2C1=O,PEYBXEPCEVMTBM-UHFFFAOYSA-N
rxn:5:189211:227501:227451,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc(C2CC2(F)F)cc1,PFIKVVDGERGEMJ-UHFFFAOYSA-N
rxn:5:189211:228066:225583,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OCCO3)c1-c1cccc(C(=O)N2CCCC2)c1,PORJYIAJUVPMDF-UHFFFAOYSA-N
rxn:5:189212:225620:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)c(-c2ccc(OC3CCOCC3)cc2)c1,SCUJQZBGEJYFPB-UHFFFAOYSA-N
rxn:5:189212:226069:228343,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(C3CCCCC3)c2)cc1C,ZFSSIPWQCXTPDI-UHFFFAOYSA-N
rxn:5:189212:226069:228872,COC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccc(C2CCCCC2)c1,RAXFINHYLKIEFD-UHFFFAOYSA-N
rxn:5:189212:226186:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2ccccc2C2CCOCC2)c1,ARSNTRBPPGYREH-UHFFFAOYSA-N
rxn:5:189212:226747:227203,CCc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OCCCO3)cc1C(F)(F)F,KTKHZARXOOVHJX-UHFFFAOYSA-N
rxn:5:189212:227095:227066,O=C1CC(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cccc(C(=O)C4CC4)c3)cc2)C1,SXHHHHLQDDIMIB-UHFFFAOYSA-N
rxn:5:189212:227205:223271,CC(=O)Nc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)ccc1F,KIZGBPBDNGITSI-UHFFFAOYSA-N
rxn:5:189212:228077:222994,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,DDGHXLISCYNOCM-UHFFFAOYSA-N
rxn:5:189212:228078:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc3c(c2)COC3=O)c1,NGMJODGIWAYREZ-UHFFFAOYSA-N
rxn:5:189212:228079:225449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(OC3CCCCC3)c2)c(-c2cccc3c2COC3=O)c1,JRYPYLJEOYVITI-UHFFFAOYSA-N
rxn:5:189212:228079:226146,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cccc3c2COC3=O)c1,WWQZIEUPPLJSAH-UHFFFAOYSA-N
rxn:5:189212:228079:226887,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c(C(F)(F)F)c2F)c(-c2cccc3c2COC3=O)c1,AQFRXUYTZGSUQD-UHFFFAOYSA-N
rxn:5:189212:228151:227103,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2sccc2C2CCCCC2)c1,QZQAXGXDJZPNQU-UHFFFAOYSA-N
rxn:5:189212:228151:227613,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnn(C3CCOCC3)c2)c1,NEXAXPYGFBNQKZ-UHFFFAOYSA-N
rxn:5:189212:228343:226186,COC(=O)c1sc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2C2CCOCC2)cc1C,GOAFWEZQBZTXSZ-UHFFFAOYSA-N
rxn:5:189212:228762:225450,CCn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C(=O)C3CCCC3)cc2)ccc1=O,DFVPZBZGMGBACU-UHFFFAOYSA-N
rxn:5:189212:228870:226187,COC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCOCC3)c2)c1,ZRRCEZSFVFDXIP-UHFFFAOYSA-N
rxn:5:189212:228872:225879,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCOCC2)cc1F,CFLJYSYCXIALLF-UHFFFAOYSA-N
rxn:5:189665:225499:227108,Fc1cc(C2CCCCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2cc(C3CCC3)ccc2F)c1,LVVLKODFMWLTQZ-UHFFFAOYSA-N
rxn:5:189665:225802:226432,Fc1nc(OC2CCCC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(C3CCCC3)nc2F)c1,QOWBTOBKICDXPZ-UHFFFAOYSA-N
rxn:5:189665:226374:226420,Fc1ccc(-c2cc(-c3cncnc3C3CCCCC3)cnc2OCC2CCOCC2)cc1N1CCCC1,BOCIXAFRVRHRSF-UHFFFAOYSA-N
rxn:5:189665:227419:225653,CC1CCCCN1c1ccc(-c2cc(-c3ccc(C4CCC4)nc3F)cnc2OCC2CCOCC2)cn1,WLUMSOSHBLGEPL-UHFFFAOYSA-N
rxn:5:189668:226432:225880,O=C(Cc1ccc(-c2cc(C3CCOCC3)ncc2F)cc1-c1ccc(C2CCCC2)nc1F)N1CCCC1,UZUROEWPXQUANA-UHFFFAOYSA-N
rxn:5:189676:225946:223251,CC(=O)c1cc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc3c(c2)OCC(=O)N3)cc(C(F)(F)F)c1,HFJIQDSFNBPINI-UHFFFAOYSA-N
rxn:5:189718:223142:225394,O=[N+]([O-])c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCNC3)nc2)cc1OC1CCOCC1,MCCSZIATFPUJCC-UHFFFAOYSA-N
rxn:5:189718:228234:225394,O=[N+]([O-])c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2c(C3CC3)ccnc2F)cc1OC1CCOCC1,AFWXHLAQDNNENY-UHFFFAOYSA-N
rxn:5:189777:225671:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(CCN2CCCC2)c(-c2cc(C3CCCCC3)ncc2F)c1,JDIRVZYBVLUPEG-UHFFFAOYSA-N
rxn:5:189829:226464:227548,CCOc1ccc(F)c(F)c1-c1cc(C(=O)N2CCCC2)cc(-c2c(OC)ccc3c2OCCO3)c1OC,IUSILMOIZADTGN-UHFFFAOYSA-N
rxn:5:189908:223004:226084,O=C1CCCCc2ccc(-c3ncc(-c4ccc(C5CCNCC5)c(F)c4)cc3OCC3CCCCC3)cc21,KDDRTNGHGBRVMZ-UHFFFAOYSA-N
rxn:5:189908:226130:225677,Fc1nc(C2CCCCC2)ccc1-c1ncc(-c2ccc(CN3CCCC3)cc2)cc1OCC1CCCCC1,LELOXPWWQIIIAE-UHFFFAOYSA-N
rxn:5:189908:226191:226432,Fc1ccc(C2CCCC2)cc1-c1cnc(-c2ccc(C3CCCC3)nc2F)c(OCC2CCCCC2)c1,PWHVDSNLJLBRDU-UHFFFAOYSA-N
rxn:5:189908:226744:226374,CCc1cc(-c2cnc(-c3cncnc3C3CCCCC3)c(OCC3CCCCC3)c2)cnc1C(F)(F)F,OYLICLYQEHEHGA-UHFFFAOYSA-N
rxn:5:189908:227766:226665,CCn1nc(C(F)(F)F)cc1-c1cnc(-c2cnc(C3CCCOC3)nc2)c(OCC2CCCCC2)c1,BTYFTSOTBFQOCQ-UHFFFAOYSA-N
rxn:5:189952:228454:226835,COc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C(F)(F)F)nn3C(C)C)c2OC)c(OC)nn1,BQBBZQRWXCQEMB-UHFFFAOYSA-N
rxn:5:189952:228967:226182,COc1c(-c2cn(C)nc2C(F)F)cc(C(=O)N2CCOCC2)cc1-c1cccnc1C1CCCCC1,JXTJYBOUAQMPQT-UHFFFAOYSA-N
rxn:5:190000:227068:226900,CC(C)Cc1ccc(-c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2CC(=O)N2CCCCC2)c(F)c1,GZXWEGBAZFVFLK-UHFFFAOYSA-N
rxn:5:190097:225394:227447,Fc1ccc(C2CC2)c(F)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1CCN1CCCCC1,RSUAKECWXWHAOD-UHFFFAOYSA-N
rxn:5:190128:225671:227419,COC1CCN(C(=O)c2ccc(-c3cc(C4CCCCC4)ncc3F)c(-c3ccc(C4CCC4)nc3F)c2)CC1,SWPNXTHMTYREBI-UHFFFAOYSA-N
rxn:5:190128:228340:227311,CCC(C)c1cc(F)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2sc(C3CC3)nc2OC)cn1,VKTNGIOGJPEDFH-UHFFFAOYSA-N
rxn:5:190131:226374:228460,COc1ncnc(OC)c1-c1cc(C(=O)N2CCCCC2)cc(-c2cncnc2C2CCCCC2)c1OC,CXHTUJUNOBWPJX-UHFFFAOYSA-N
rxn:5:190132:228388:222985,COC1CCN(C(=O)c2ccc(-c3cc(C(F)F)ncc3C)cc2-c2ccc(C3CCCNC3)nc2C)CC1,HPXHJZLVWCNANH-UHFFFAOYSA-N
rxn:5:190177:226901:226884,O=C1CC(Sc2ccc(-c3c(F)cc(C(F)(F)F)cc3F)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,MJCYBNIVCRNYJR-UHFFFAOYSA-N
rxn:5:190177:227449:226901,O=C1CC(Sc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2ccc(C3CCOCC3)s2)cc1,LCAKEHVXIINRMY-UHFFFAOYSA-N
rxn:5:190194:226464:226907,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cccc3c1CCC31CC1)OCCO2,HLDQSTKBWWCYIO-UHFFFAOYSA-N
rxn:5:190194:226907:226152,COc1cc(C2CC2)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc3c2CCC32CC2)c1C,SACAQDFXZWFNRW-UHFFFAOYSA-N
rxn:5:190194:226907:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1cccc3c1CCC31CC1)OCCO2,CHKZLYPBYQJVDV-UHFFFAOYSA-N
rxn:5:190194:227524:226067,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3=CCCCC3)cc2)c(F)cc1C#N,LYLRWYQDCKYPSO-UHFFFAOYSA-N
rxn:5:190231:228357:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2c(C)nc(OC)nc2C)c1OC,CJPIWBOVSMOXEU-UHFFFAOYSA-N
rxn:5:190264:226901:223144,CC1CCN(C(=O)Cc2ccc(-c3ccc(N4CCC(O)C4)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)CC1,JVDJEWJCIZIPQP-UHFFFAOYSA-N
rxn:5:190264:226901:223310,CC1CCN(C(=O)Cc2ccc(-c3ccc(NC4CC4)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)CC1,NWTQBCZOGPECLI-UHFFFAOYSA-N
rxn:5:190264:226901:226164,CC1CCN(C(=O)Cc2ccc(-c3ccc(N4CCCCC4)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)CC1,CAPYSZKXCWHSOX-UHFFFAOYSA-N
rxn:5:190404:226901:227357,CCC(=O)c1cc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)o3)CCS2)ccc1F,UBMKQNLGJKEPSS-UHFFFAOYSA-N
rxn:5:190459:226901:225438,CC(c1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cccc(S(F)(F)(F)(F)F)c3)CCS2)cc1)N1CCCC1,KHZJBUNIGYWCQJ-UHFFFAOYSA-N
rxn:5:190484:222405:228894,O=C1NC(=O)C(c2cccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccccc5[N+](=O)[O-])S(=O)(=O)CC4)c3)c2)N1,KENHLHADOMVVOV-UHFFFAOYSA-N
rxn:5:190484:228496:228066,O=C(c1cccc(-c2cnn(CC(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)OCCO3)S(=O)(=O)CC1,YFFLPXTUFVWPIY-UHFFFAOYSA-N
rxn:5:190681:226158:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cc2c(cc1-c1ccccc1N1CCCCC1)c(OC(C)=O)cn2C(C)=O,JCEZSYHJUUTVMO-UHFFFAOYSA-N
rxn:5:190795:223082:226188,CNS(=O)(=O)c1c(C)cc(-c2cn(C(=O)OC(C)(C)C)c3cc(-c4cc(C)c([Si](C)(C)C)cc4C)ccc23)cc1C,SLWJWIQBBNKJLV-UHFFFAOYSA-N
rxn:5:190795:226188:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc3c(-c4cc(C)c([Si](C)(C)C)cc4C)cn(C(=O)OC(C)(C)C)c3c2)cc1C,REXNLVFLEWORAJ-UHFFFAOYSA-N
rxn:5:190833:226739:228079,CC(=O)c1ccc(-c2ccc(-c3cccc4c3COC4=O)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-],ORDWOMBHXXYREW-UHFFFAOYSA-N
rxn:5:190833:227513:228680,CCCn1nc(C)cc1-c1ccc(-c2cc(C)c(OC)nc2OC)c2c1CN(C(=O)OC(C)(C)C)C2=O,FLPYQLKOYDZKQV-UHFFFAOYSA-N
rxn:5:192882:222986:225674,Cc1cc(-c2cnc(OC3CCCC3)c(-c3cnc(C4CCCCC4)cc3F)c2)cc(C2CCCNC2)n1,YUXDMKAIEPBFLB-UHFFFAOYSA-N
rxn:5:192882:225581:225498,Fc1ccc(C2CCCCC2)cc1-c1cc(-c2ccc(CN3CCOCC3)cc2)cnc1OC1CCCC1,CIUMASNGMGOLBN-UHFFFAOYSA-N
rxn:5:193046:226054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(C(C)(C)C)cc1[N+](=O)[O-],PEXZCFAHGJGLDN-UHFFFAOYSA-N
rxn:5:193156:223004:225976,Fc1cc(-c2cc(CN3CCCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2)ccc1C1CCNCC1,ORCDTHBREYPRLS-UHFFFAOYSA-N
rxn:5:193158:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(CN2CCCC2)c1-c1ccc(C2CCNCC2)nc1F,PVAZNGFTMPOGDV-UHFFFAOYSA-N
rxn:5:193225:225584:226738,CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C(=O)N2CCOCC2)c([N+](=O)[O-])c1,LIMIGQKSLCFFPK-UHFFFAOYSA-N
rxn:5:193225:226738:226319,CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)N4CCC4)cc3)c(C(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1,UQFSWQSEZMGAIM-UHFFFAOYSA-N
rxn:5:193329:223004:226343,Fc1cc(-c2ccnc(OC3CCCCC3)c2-c2ccc(OC3CCOC3)cc2)ccc1C1CCNCC1,MGJIFKUBJKNMCI-UHFFFAOYSA-N
rxn:5:193329:223133:225447,c1ccc(N2CCNCC2)c(-c2ccnc(OC3CCCCC3)c2-c2ccc(OC3CCCCC3)cc2)c1,OMWVPCGFFCIXSC-UHFFFAOYSA-N
rxn:5:193329:225449:226067,C1=C(c2ccc(-c3c(-c4cccc(OC5CCCCC5)c4)ccnc3OC3CCCCC3)cc2)CCCC1,SXEOGWUQILLLJC-UHFFFAOYSA-N
rxn:5:193329:225802:225880,Fc1cnc(C2CCOCC2)cc1-c1c(-c2ccc(OC3CCCC3)nc2F)ccnc1OC1CCCCC1,PYPWYRIZXSIIKC-UHFFFAOYSA-N
rxn:5:193329:225881:226794,Fc1nc(C2CCOCC2)ccc1-c1ccnc(OC2CCCCC2)c1-c1cnc(N2CCSCC2)nc1,NTHBNYRPPRBPIM-UHFFFAOYSA-N
rxn:5:193329:226431:225451,Fc1cc(-c2ccnc(OC3CCCCC3)c2-c2ccc(SC3CCCCC3)cc2)ccc1N1CCCC1,ATARFSZLLSGUBR-UHFFFAOYSA-N
rxn:5:193336:226191:225834,Fc1ccc(C2CCCC2)cc1-c1cccc(CN2CCOCC2)c1-c1cc(N2CCCCC2)ncc1F,KVIGHASIJZZXLF-UHFFFAOYSA-N
rxn:5:193382:225987:222993,O=S1(=O)CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCCCC4O)c3)c2)cc1,PMGWZEFKXLVDGE-UHFFFAOYSA-N
rxn:5:193382:226794:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(N3CCSCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,YCWGGTDRJNLZSC-UHFFFAOYSA-N
rxn:5:193382:228150:225926,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)cc1,RGEMFAMFDFZYOQ-UHFFFAOYSA-N
rxn:5:193460:225926:225986,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCCCC1,RTNZGPOUFLLPKJ-UHFFFAOYSA-N
rxn:5:193461:225926:227203,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc2c(c1)OCCCO2)N1CCCCC1,XTMBYFQJRBWESO-UHFFFAOYSA-N
rxn:5:193461:225926:227205,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1cccc2c1OCCCO2)N1CCCCC1,VNGWGKYZVZERKU-UHFFFAOYSA-N
rxn:5:193462:223054:225881,CC(c1ccc(-c2ccc(-c3ccc(C4CCOCC4)nc3F)c(CN3CCC(=O)CC3)c2)s1)N1CCC(O)C1,WQJUZZIYKIIWPU-UHFFFAOYSA-N
rxn:5:193462:226654:226901,CC1CCN(c2nc(-c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)c(CN4CCC(=O)CC4)c3)cs2)CC1,SMVHDHJHRFDUDT-UHFFFAOYSA-N
rxn:5:193462:227800:226654,CC1CCN(c2nc(-c3ccc(-c4cc(F)nc(C(F)(F)F)c4)cc3CN3CCC(=O)CC3)cs2)CC1,RNSKNMCQWPZTLL-UHFFFAOYSA-N
rxn:5:193463:226686:228193,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(=O)CC2)c(-c2cnn(C3CCCC3)c2)c1,GHWOLGGESGUHTI-UHFFFAOYSA-N
rxn:5:193463:226901:227386,O=C1CCN(Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cnn(C3CCCCC3)c2)CC1,VMEIRUYGEJMRSA-UHFFFAOYSA-N
rxn:5:193465:225407:227552,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2CC(F)(F)F)c1-c1ccc(C2CCCCCC2)cc1,YGMNDASUOJQDSM-QHCPKHFHSA-N
rxn:5:193465:225498:227552,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2CC(F)(F)F)c1-c1cc(C2CCCCC2)ccc1F,QXZJTFABXZGTIX-NRFANRHFSA-N
rxn:5:193465:225584:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccc(C(=O)N2CCCC2)cc1,OBOPJIIGHNLZIF-FQEVSTJZSA-N
rxn:5:193465:226159:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cccc(N2CCCCC2)c1,ZLYDXOUPLKNEMZ-NRFANRHFSA-N
rxn:5:193465:227552:225824,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(C3CC3)cc(C(F)(F)F)c2)c1-c1ccccc1CC(F)(F)F,SFWGXOJCEUASJX-SFHVURJKSA-N
rxn:5:193465:227783:225450,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)C3CCCC3)cc2)c1-c1cc([N+](=O)[O-])c(F)cc1F,HGRAYFWRRHBAGU-SFHVURJKSA-N
rxn:5:193466:226042:225584,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,WGWFOZVBHUTYGT-LJQANCHMSA-N
rxn:5:193466:226191:223000,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCCNC3)c(F)c2)cc1-c1cc(C2CCCC2)ccc1F,CGAQAWGRWDCPDV-XVPAFAEQSA-N
rxn:5:193467:225986:227664,Cc1cc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C(=O)N3CCC[C@@H]3C)c2)cc(C(F)(F)F)c1,WPSGGKJUKMVWMA-FQEVSTJZSA-N
rxn:5:193467:227777:226045,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)C(F)(F)F)nc2)ccc1-c1cc(F)c(F)cc1[N+](=O)[O-],UZIKEYBTWYWVRV-ZDUSSCGKSA-N
rxn:5:193467:227801:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1c(C(F)(F)F)ccnc1F,MJEQDQSJHYAFPV-KRWDZBQOSA-N
rxn:5:193467:227801:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1c(C(F)(F)F)ccnc1F,KAZNBXHUKNXNGU-KRWDZBQOSA-N
rxn:5:193468:225450:227590,C[C@H]1CCCN1C(=O)c1c(-c2ccc(CC(F)(F)F)cc2)cccc1-c1ccc(C(=O)C2CCCC2)cc1,XAVWRCGFQQOYSD-NRFANRHFSA-N
rxn:5:193468:225620:227552,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC3CCOCC3)cc2)cccc1-c1ccccc1CC(F)(F)F,AKIBFQNLQFFFGF-NRFANRHFSA-N
rxn:5:193468:225822:226980,C[C@H]1CCCN1C(=O)c1c(-c2cccc3c2C(=O)CCC3)cccc1-c1cccc(C(F)(F)F)c1C1CC1,CRKFFGKKUOPIMY-IBGZPJMESA-N
rxn:5:193468:226042:225986,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2N2CCCS2(=O)=O)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MVCPFEQKGFDAOX-SFHVURJKSA-N
rxn:5:193468:226062:226826,Cc1cc(-c2cccc(-c3cc(C(C)C)cc(C(C)C)c3)c2C(=O)N2CCC[C@@H]2C)c(F)c(C(F)(F)F)c1,RWYACSXGMGQPRV-NRFANRHFSA-N
rxn:5:193468:226469:226741,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)N(C)C(=O)CO3)cccc1-c1cc(C(F)(F)F)ccc1C#N,FLQLZADEEIMFAN-KRWDZBQOSA-N
rxn:5:193506:223425:225871,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3C=NO)cc2-c2cccc(N3C(=O)C=CC3=O)c2)CC1,DUQGXEVWYACVLI-UHFFFAOYSA-N
rxn:5:193506:225438:226900,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)cc1)N1CCCC1,RTGLSJJKABXMLG-UHFFFAOYSA-N
rxn:5:193506:226573:228653,Cc1nc(OC(C)(C)C)ncc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn3c2CCCC3)c1,BZMNLVWUSQAUMP-UHFFFAOYSA-N
rxn:5:193506:226901:222993,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cccc(N3CCCCC3O)c2)CC1,HGKSOKIQBKKBMI-UHFFFAOYSA-N
rxn:5:193506:227767:228349,CCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCOC4)c3)c2)c(C(F)(F)F)n1,CFNVYVYCFJDWRF-UHFFFAOYSA-N
rxn:5:193506:227875:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCCO4)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,RRHXESWZOCLLBA-UHFFFAOYSA-N
rxn:5:193506:228704:223186,CCn1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCCO4)c3)c2)c1C,BMNYPZJGDMKMCN-UHFFFAOYSA-N
rxn:5:193653:225616:226901,O=C1OC(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)=NC1=Cc1ccc(-c2ccccc2C(=O)N2CCCC2)cc1,YCWZAPSCUDFOSP-UHFFFAOYSA-N
rxn:5:193681:226464:223130,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CC(O)C4)cc3)c(OC3CCN(C)CC3)c1)OCCO2,FWLZILRAEYESHD-UHFFFAOYSA-N
rxn:5:193749:226054:227895,CC1CCCCN1C(=O)c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc1-c1ccc(C=CC#N)cc1,LSAIWIOSIRYBBQ-UHFFFAOYSA-N
rxn:5:193749:226901:223145,CC1CCCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(C2CCC(=O)N2)cc1,IXRMGRWPRCOLOA-UHFFFAOYSA-N
rxn:5:193808:226412:226438,CC1CCN(Cc2cc(-c3cc(F)cc(N4CCCC4)c3)ccc2-c2cnc(C3CCCC3)cc2F)CC1,SFZVIUFNOGIWCO-UHFFFAOYSA-N
rxn:5:193808:226438:226432,CC1CCN(Cc2cc(-c3cnc(C4CCCC4)cc3F)ccc2-c2ccc(C3CCCC3)nc2F)CC1,GKXGCBONURSLRD-UHFFFAOYSA-N
rxn:5:193808:226907:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1CN1CCC(C)CC1,OXSDOXMNIBJQPW-UHFFFAOYSA-N
rxn:5:193869:226665:223389,Cc1cc(-c2cnc(C3CCCOC3)nc2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,GKOZQVYPNIEQIZ-UHFFFAOYSA-N
rxn:5:193869:226837:228653,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn2c1CCCC2,NKNOICIXWQCTHY-UHFFFAOYSA-N
rxn:5:193869:228064:226836,Cc1cc(-c2cnc3c(c2)C(=O)CC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,FLHKHNZQODSJAM-UHFFFAOYSA-N
rxn:5:193869:228866:227766,CCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2c(COC)noc2C)cc1C,LTXQLOCJGFRJAR-UHFFFAOYSA-N
rxn:5:193870:226836:227497,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC(C)C)nc2C)cc1-c1cn(C(C)C)nc1C(F)(F)F,KLAONYWEHRWKPC-UHFFFAOYSA-N
rxn:5:193870:226837:229084,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2scnc2C(C)C)cc1-c1c(C)nn(CC(F)(F)F)c1C,YVNUSAGKZOZCJT-UHFFFAOYSA-N
rxn:5:193870:227390:223388,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(S(=O)(=O)O)cc2)cc1-c1ccnn1C1CCCCC1,RSSOYCZVNJICSQ-UHFFFAOYSA-N
rxn:5:193870:228653:226654,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2csc(N3CCC(C)CC3)n2)cc1-c1cnn2c1CCCC2,JNUBRKPBUBTUKP-UHFFFAOYSA-N
rxn:5:193871:227492:227119,COc1ncnc(C2CC2)c1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1cc(C2CCCCC2)cs1,QSQYNBHPEORQPG-UHFFFAOYSA-N
rxn:5:193932:226438:226189,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(C4CCCC4)c(F)c3)c(-c3cnc(C4CCCC4)cc3F)c2)C1,IEMANXGXCCMMAA-UHFFFAOYSA-N
rxn:5:193932:228499:227611,CC1CC(C)CN(C(=O)c2ccc(-c3ccnn3C3CCCCO3)c(-c3cc(C(F)(F)F)nn3C)c2)C1,DSTYPTAWYLPTGF-UHFFFAOYSA-N
rxn:5:193967:226431:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(N3CCCC3)c(F)c2)ccc1CN1CCC2(CC1)OCCO2,KGLTZUVJCZUHTF-UHFFFAOYSA-N
rxn:5:193968:223307:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccc3c(c2)CCNC3)cc1CN1CCC2(CC1)OCCO2,JWAABDUABPJMFC-UHFFFAOYSA-N
rxn:5:193968:223307:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)CCNC3)cc1CN1CCC2(CC1)OCCO2,HVVDEQFTTJAMJL-UHFFFAOYSA-N
rxn:5:193968:226464:227808,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,XZLHGNVTFUVQQJ-UHFFFAOYSA-N
rxn:5:193968:226464:228503,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,WESPTPRDSKPRDY-UHFFFAOYSA-N
rxn:5:193968:226971:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,AFQNEMFTXYDSIY-UHFFFAOYSA-N
rxn:5:193968:227766:228866,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2c(COC)noc2C)c(CN2CCC3(CC2)OCCO3)c1,ACVQRLQBLJDCFO-UHFFFAOYSA-N
rxn:5:193968:228198:228100,CCCn1nc(C)c(-c2ccc(-c3cnc(C(C)C)nc3C)cc2CN2CCC3(CC2)OCCO3)c1C,RZJGNGWUEIZBAE-UHFFFAOYSA-N
rxn:5:193968:228229:226189,O=c1cc(-c2ccc(-c3ccc(C4CCCC4)c(F)c3)c(CN3CCC4(CC3)OCCO4)c2)ccn1C1CC1,PPJYEQAIYUVWFH-UHFFFAOYSA-N
rxn:5:193972:223388:228502,Cc1cc(-c2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1nn(C)cc1C(F)(F)F,IIERGDLSNFBNDY-UHFFFAOYSA-N
rxn:5:193972:228195:228653,Cc1cc(-c2cn(C(C)(C)C)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCCC2,YLZVIZXLYYVLKS-UHFFFAOYSA-N
rxn:5:194414:222996:226464,COc1ccc2c(c1-c1c(-c3ccc(F)cc3C3CCCNC3)ccc3c1CCN3CC1CC1)OCCO2,VBWGDGZNNDOUPR-UHFFFAOYSA-N
rxn:5:194414:222998:226464,COc1ccc2c(c1-c1c(-c3cc(F)cc(C4CCCNC4)c3)ccc3c1CCN3CC1CC1)OCCO2,ALETWQNLFLXSSO-UHFFFAOYSA-N
rxn:5:194414:223007:226464,COc1ccc2c(c1-c1c(-c3cc(F)cc(C4CCNCC4)c3)ccc3c1CCN3CC1CC1)OCCO2,DRLYYRLWAXYPEE-UHFFFAOYSA-N
rxn:5:194414:223064:225943,O=C(c1ccc(-c2c(-c3ccc(C4CCNCC4)nc3F)ccc3c2CCN3CC2CC2)s1)N1CCOCC1,JWNWZLBTTKAQKA-UHFFFAOYSA-N
rxn:5:194414:225674:226064,Fc1cc(C2CCCCC2)ncc1-c1ccc2c(c1-c1ccc(C3CCCCC3)cc1)CCN2CC1CC1,HCCYBAPLCWRCLT-UHFFFAOYSA-N
rxn:5:194561:227802:227505,O=C(c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1-c1ccc(/C=C/[N+](=O)[O-])cc1)N1C2CCC1COC2,MNPMGIQBZMYMLL-MDZDMXLPSA-N
rxn:5:194733:226900:226454,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(-c2ccc(F)cc2)cs1)N1C2CCC1CC(=C1CC1)C2,KINJLLLTZKPUPH-UHFFFAOYSA-N
rxn:5:194733:226900:228972,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(C(F)(F)F)cs1)N1C2CCC1CC(=C1CC1)C2,FXJOFEXQKGKRAJ-UHFFFAOYSA-N
rxn:5:194733:226900:229134,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(F)ccc1F)N1C2CCC1CC(=C1CC1)C2,NQDNABKAFZKNSO-UHFFFAOYSA-N
rxn:5:194733:226901:228507,CCCc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,KYPKRMSLRICHLF-UHFFFAOYSA-N
rxn:5:194733:227450:228626,CCc1cccc(-c2ccc(-c3cccc(C4CC4(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,VABYSCCEMUTDNF-UHFFFAOYSA-N
rxn:5:194733:227750:226900,O=C(c1cc(-c2cccc(F)c2C(F)(F)F)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,YYYNPYQILPGBAY-UHFFFAOYSA-N
rxn:5:194733:227895:228844,Cc1c(-c2ccc(-c3ccc(C=CC#N)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc(F)c1F,XFAGKTOYNMMOBU-UHFFFAOYSA-N
rxn:5:196408:223008:223064,Fc1ccc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,BZFLHNRIALWEMP-UHFFFAOYSA-N
rxn:5:196408:223064:225833,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C1=NOCCO1,KXAJXYQVCBIUPK-UHFFFAOYSA-N
rxn:5:196408:226654:223061,CC1CCN(c2nc(-c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3C3=NOCCO3)cs2)CC1,SUJJFHZRSXSLTG-UHFFFAOYSA-N
rxn:5:196408:226654:223062,CC1CCN(c2nc(-c3cc(-c4cnc(C5CCNCC5)cc4F)ccc3C3=NOCCO3)cs2)CC1,HGMDRLIFVOYBOI-UHFFFAOYSA-N
rxn:5:196408:226686:223061,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C1=NOCCO1,SKNLBQILCQFNTA-UHFFFAOYSA-N
rxn:5:196408:226686:223062,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1=NOCCO1,DBPIZUGPMJOJBJ-UHFFFAOYSA-N
rxn:5:196408:226686:223064,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,UWMGKTDKWOKNAE-UHFFFAOYSA-N
rxn:5:196533:225450:226901,O=C(c1ccc(-c2ccc(N3C(=O)CC(c4cccc(S(F)(F)(F)(F)F)c4)C3=O)cc2)cc1)C1CCCC1,CTBZVJNPJPWBPZ-UHFFFAOYSA-N
rxn:5:196533:225871:225583,O=C(c1cccc(C2CC(=O)N(c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)C2=O)c1)N1CCCC1,CWQSCJGVQAZYEI-UHFFFAOYSA-N
rxn:5:196620:225806:223064,O=C1CCCN1c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cnc(OC2CCCC2)cc1F,HHWTUJBBKNVTLS-UHFFFAOYSA-N
rxn:5:196622:226654:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2csc(N3CCC(C)CC3)n2)cccc1N1CCCC1=O,XHCXSFSCDMXSRO-UHFFFAOYSA-N
rxn:5:196859:225437:225884,Fc1cc(-c2nccc(C3CCOCC3)c2-c2cccc(CN3CCCCC3)c2)ccc1C1COCCO1,URXGNDMBNUPEDZ-UHFFFAOYSA-N
rxn:5:196870:223061:223064,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCOCC2)c1,PLQOXGXQHUPTLE-UHFFFAOYSA-N
rxn:5:196870:223062:223064,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCOCC2)c1,XFDVCOYJRHGGDJ-UHFFFAOYSA-N
rxn:5:196918:226836:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cn(C(C)C)nc2C(F)(F)F)cccc1N1CCCCC1=O,CVFJRPGXDVDHID-UHFFFAOYSA-N
rxn:5:196969:223006:223064,Fc1ccc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,JNRGDJIDTGDZBN-UHFFFAOYSA-N
rxn:5:196969:223007:225849,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2cnc(N3CCCCC3)cc2F)cc(C2CCNCC2)c1,PYNYPCUFGSNBSW-UHFFFAOYSA-N
rxn:5:196969:225833:223006,Fc1ccc(-c2cc(C3CCCCC3)ncc2-c2ccnc(N3CCCCC3)c2F)cc1C1CCNCC1,KVENKVNIEQQZSZ-UHFFFAOYSA-N
rxn:5:196969:225833:223007,Fc1cc(-c2cc(C3CCCCC3)ncc2-c2ccnc(N3CCCCC3)c2F)cc(C2CCNCC2)c1,BKFQNVXAIKSCMC-UHFFFAOYSA-N
rxn:5:196969:225849:223007,Fc1cc(-c2cc(C3CCCCC3)ncc2-c2cnc(N3CCCCC3)cc2F)cc(C2CCNCC2)c1,HZLRQIIMXQEZIN-UHFFFAOYSA-N
rxn:5:196970:223004:225833,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccnc(N3CCCCC3)c2F)ccc1C1CCNCC1,QJEDGJXSDPIKDV-UHFFFAOYSA-N
rxn:5:196970:225833:223004,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccnc(N3CCCCC3)c2F)ccc1C1CCNCC1,VNYMBVJMHNCXDV-UHFFFAOYSA-N
rxn:5:196970:225833:223006,Fc1ccc(-c2nccc(C3CCCCC3)c2-c2ccnc(N3CCCCC3)c2F)cc1C1CCNCC1,IDFOWMLQCCSNJY-UHFFFAOYSA-N
rxn:5:196977:223064:223006,Fc1ccc(-c2cc(N3CCCCC3)ccc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,SJLZGQZIYXQMHX-UHFFFAOYSA-N
rxn:5:196977:223064:223007,Fc1cc(-c2cc(N3CCCCC3)ccc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,BNSFQLGQOVLBRE-UHFFFAOYSA-N
rxn:5:196978:223064:223004,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2N2CCCCC2)ccc1C1CCNCC1,FEUYCEBLCUDCNC-UHFFFAOYSA-N
rxn:5:196978:223064:223006,Fc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2N2CCCCC2)cc1C1CCNCC1,CDMTVVJCEVOCPW-UHFFFAOYSA-N
rxn:5:196978:223064:223007,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2N2CCCCC2)cc(C2CCNCC2)c1,SWEVVUFVJUJHRH-UHFFFAOYSA-N
rxn:5:196978:223064:223008,Fc1ccc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1N1CCCCC1,WSFRMKXBXZDMOU-UHFFFAOYSA-N
rxn:5:196978:225833:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1CCCCC1,ZAWBUDALVYXXRX-UHFFFAOYSA-N
rxn:5:196979:223001:223064,Fc1ccc(C2CCCNC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,UEAUWEHMPMBOAO-UHFFFAOYSA-N
rxn:5:196979:223002:223061,Fc1cc(C2CCNCC2)ccc1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc(N2CCCCC2)c1,KDERORHYHOJCGZ-UHFFFAOYSA-N
rxn:5:196979:223002:223062,Fc1cc(C2CCNCC2)ccc1-c1cc(-c2cnc(C3CCNCC3)cc2F)cc(N2CCCCC2)c1,AHRHJYQFOLIONC-UHFFFAOYSA-N
rxn:5:196979:223004:223064,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc(N3CCCCC3)c2)ccc1C1CCNCC1,ZNSYUSCGWMEESF-UHFFFAOYSA-N
rxn:5:196979:223006:223064,Fc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc(N3CCCCC3)c2)cc1C1CCNCC1,QVJCOMPXHHNBKQ-UHFFFAOYSA-N
rxn:5:196979:223008:223061,Fc1ccc(C2CCNCC2)cc1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc(N2CCCCC2)c1,XLYVDJXINOIHOL-UHFFFAOYSA-N
rxn:5:196979:223008:223064,Fc1ccc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,HTLSFKDHIKAOFY-UHFFFAOYSA-N
rxn:5:196979:223061:223061,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc(N2CCCCC2)c1,MNKKOMYKRQCPOD-UHFFFAOYSA-N
rxn:5:196979:223061:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2cc(C3CCNCC3)ncc2F)cc(N2CCCCC2)c1,QZHNDCUTMIDWFG-UHFFFAOYSA-N
rxn:5:196979:223061:223064,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,BJBAYRQVDWZPQX-UHFFFAOYSA-N
rxn:5:196979:223061:225677,Fc1cnc(C2CCNCC2)cc1-c1cc(-c2ccc(C3CCCCC3)nc2F)cc(N2CCCCC2)c1,HFDHTALLRJIYLP-UHFFFAOYSA-N
rxn:5:196979:223063:223064,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)cc(N3CCCCC3)c2)cc(C2CCNCC2)n1,SABCKAJWNWIZOK-UHFFFAOYSA-N
rxn:5:196979:225671:223064,Fc1cnc(C2CCCCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,JHFPPDQHIITIGR-UHFFFAOYSA-N
rxn:5:196979:225674:223064,Fc1cc(C2CCCCC2)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2F)cc(N2CCCCC2)c1,VWYRRNARUNKBLW-UHFFFAOYSA-N
rxn:5:196979:225677:223062,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccc(C3CCCCC3)nc2F)cc(N2CCCCC2)c1,KEVVYHAVOGZUJF-UHFFFAOYSA-N
rxn:5:197526:226686:226856,COc1cnc(C(F)(F)F)cc1-c1c(-c2c(C)cnn2C2CCCCO2)ccc2c1C(=O)CN2C(C)=O,RGYWKEOVGKRURZ-UHFFFAOYSA-N
rxn:5:197876:225601:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LMTGCNQZIGWCOY-UHFFFAOYSA-N
rxn:5:197876:226325:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VRZMVKOLNYHDRP-UHFFFAOYSA-N
rxn:5:197876:226346:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SOLOZKLRPPWPMB-UHFFFAOYSA-N
rxn:5:197876:226346:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AKGORWCIRQIMJR-UHFFFAOYSA-N
rxn:5:197876:227076:226144,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C#C[Si](C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JKUIDDZLZHRBQI-UHFFFAOYSA-N
rxn:5:197876:227100:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1c(C)cc(C3CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OOSHTQMUCSAYHL-UHFFFAOYSA-N
rxn:5:197876:227100:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YREYKQJOOWBSJH-UHFFFAOYSA-N
rxn:5:197876:227297:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(CN(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SNVMDDZPOHQEOY-UHFFFAOYSA-N
rxn:5:197876:227319:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RCEMLVXHRPHVGI-UHFFFAOYSA-N
rxn:5:197876:227409:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,FPPQPZQZUSMVGD-UHFFFAOYSA-N
rxn:5:197876:227515:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC(C)C)cnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,NEJHOPUVCQMFCB-UHFFFAOYSA-N
rxn:5:197876:227520:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cnc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,HBWFFQZLIYKYCF-UHFFFAOYSA-N
rxn:5:197876:228195:223294,Cc1nn(C(C)(C)C)cc1-c1cc2c(cc1-c1csc(N3CCNCC3)n1)C(=O)N(C(C)(C)C)S2(=O)=O,FAFRCNAXIKWAHA-UHFFFAOYSA-N
rxn:5:199281:226837:225832,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1c(C)nn(C3CCCCO3)c1C)N(C)C(=O)CC2,AXKPDBQEVNEKGX-UHFFFAOYSA-N
rxn:4:173301:223507,CCOC(=O)CCOc1cc(F)c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F,IXJXPEDGPKICTR-UHFFFAOYSA-N
rxn:4:173553:222741,CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,OURLRNRUQJOPRD-UHFFFAOYSA-N
rxn:4:173572:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)c1,NQRAXPKNLZOQAM-UHFFFAOYSA-N
rxn:4:173606:222741,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,ZHWKRRUCUQATAX-UHFFFAOYSA-N
rxn:4:173607:222741,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,AXHJARPKMLLLHF-UHFFFAOYSA-N
rxn:4:173736:223695,CCOC(=O)CSc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,UDTBQMXMWBSCQQ-UHFFFAOYSA-N
rxn:4:173839:223695,COC(=O)CC(=O)Cc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,PCQHNZWTMXHEIJ-UHFFFAOYSA-N
rxn:4:173918:223696,COC(=O)CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1OC,RJYNDEKONOXXTP-UHFFFAOYSA-N
rxn:4:174077:223954,COC(=O)c1c(F)cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1OCC1CC1,ZTXYSLAXDBKTRI-UHFFFAOYSA-N
rxn:4:174292:223521,CC(c1cccc(-c2cccc(CCC(=O)c3ccc(C(F)(F)F)cc3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,CHOZYQIMBNHYHW-UHFFFAOYSA-N
rxn:4:174292:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(CCC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2)CC1,ZKIWGSSLODZGNJ-UHFFFAOYSA-N
rxn:4:174447:224318,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c(-c2ccc(F)cc2F)cc1OC(C)C,PNRYMQWLWAZPFT-UHFFFAOYSA-N
rxn:4:174496:223897,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCOCC4)c3)c2)c1,ALBZBVUCFUQDHZ-UHFFFAOYSA-N
rxn:4:174519:222537,Fc1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc(F)c1OC1CCC(OCc2ccccc2)CC1,MZMRJOKWKNERNP-UHFFFAOYSA-N
rxn:4:174663:224899,COc1ccccc1-c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,MOETUAKLEZDBLV-JKUFBEDSSA-N
rxn:4:174663:224957,CC(C)(C)[Si](C)(C)Oc1ccccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,OUTZZBUPKFHCBJ-YMXGYGEZSA-N
rxn:4:174663:227160,Cc1c2cccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c2nn1C,MKBKACJIFLZMKT-AMNGXLNPSA-N
rxn:4:174663:227179,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3cnc(Cl)cc3c2)cc1,XFMNTHQNDPAKAO-AMNGXLNPSA-N
rxn:4:174663:227956,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc(C(C)C)n1,WYHGEUDGPVWDPT-AMNGXLNPSA-N
rxn:4:174663:228021,CC(=O)c1cc(C)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,QWXCEHXYZDZAPD-LUTSASADSA-N
rxn:4:174663:228299,CCOC(=O)c1csc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,LTKCXZNJKGVGFK-QQXXBIGFSA-N
rxn:4:174663:228459,COc1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(SC)n1,GCOVNZONEJEFDV-XKKYJTTLSA-N
rxn:4:174663:228553,CCSc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,PUBYBBGBNJMRNV-MCPNDBPUSA-N
rxn:4:174663:228619,CCc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,RAGYXJTVNQFZDV-OUYRWIGOSA-N
rxn:4:174663:228787,COc1cc(F)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,UNZSKPXVXIXICV-XVDHNCDISA-N
rxn:4:174663:229308,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)on1,JEMYMFQAXPAWFR-SCOJNZJKSA-N
rxn:4:174829:223790,COc1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)ccc1OCC(F)(F)F,YEUVWILOOGQZRR-UHFFFAOYSA-N
rxn:4:175040:222513,COC(=O)C(C)Oc1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1F,HKYZZFFCTCNKTC-UHFFFAOYSA-N
rxn:4:175083:223840,CCOc1c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(C(=O)OC)c(F)c1F,PAWHDZCTXIFAAR-UHFFFAOYSA-N
rxn:4:175708:223712,COc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,KKNUFCWSGLHMSY-UHFFFAOYSA-N
rxn:4:175722:223712,CCCOc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1C1OCCO1,DLMBZWCALWNQEZ-UHFFFAOYSA-N
rxn:4:175811:224373,COc1ccc(-c2cccc(C(=O)CCC3OCCCO3)c2)cc1S(=O)(=O)N1CCCC1,MKZZVRYLVWTNQQ-UHFFFAOYSA-N
rxn:4:175931:223699,Cc1cc(OCCC2OCCO2)cc(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,CLYSMZDRJZUCLW-UHFFFAOYSA-N
rxn:4:176085:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c(F)c2)CC1,DDPKOWDPDHYFCP-UHFFFAOYSA-N
rxn:4:176115:223598,CC(C)(C)OC(=O)c1cc(-c2cccc(F)c2)cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1,WGMLLHWLCREFKP-UHFFFAOYSA-N
rxn:4:176127:223500,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RFYROBUJZBUWJO-UHFFFAOYSA-N
rxn:4:176731:223788,COC(=O)c1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c(F)c1C(F)(F)F,FYZGWXKFTDILJE-UHFFFAOYSA-N
rxn:4:176930:223526,CCOc1cc(C(F)(F)F)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,KIBIUAFAKMSEGP-UHFFFAOYSA-N
rxn:4:178223:223712,COc1cc(C(C)(C)C)c(OC)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,VNSWWPZYTLUTEM-UHFFFAOYSA-N
rxn:4:178303:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)c4cccc(C5OCCO5)c4)c(F)c3)cn2)CC1,KBSVGJKUQLOIHF-UHFFFAOYSA-N
rxn:4:178358:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccc(OC5CCCC5)cc4)cc3)cc2F)CC1,MHLNYLUWLIOKDH-UHFFFAOYSA-N
rxn:4:178364:223474,CC1(C)CC(=O)C(CC(=O)c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)C(=O)C1,ZSEGIPDOLQACRC-UHFFFAOYSA-N
rxn:4:178444:223606,COC(=O)Cc1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)oc2cc(C)ccc12,MBJVMDYJQYHCJE-UHFFFAOYSA-N
rxn:4:179212:223521,CCC(=O)c1ccc(F)c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,AWKWJJYQMUNRFV-UHFFFAOYSA-N
rxn:4:180414:224997,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C(=O)O1,MGIQITQNBSEUBP-UHFFFAOYSA-N
rxn:4:181262:223593,CC(=O)c1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc(F)c(F)c1F,GFTNOJILVFGKGN-UHFFFAOYSA-N
rxn:4:181768:223474,O=C1C=CC(=O)C(c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)=C1,YSGIWCQMYXWJCO-UHFFFAOYSA-N
rxn:4:183141:223527,CC1CCc2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2O1,CFGOUPDUINZHCC-UHFFFAOYSA-N
rxn:4:183269:223812,Cc1cc2c(cc1-c1cc(F)cc(CN3CCC4(CC3)OCCO4)c1)C(C)(C)C=CC2(C)C,QNTIEWNHHPHZER-UHFFFAOYSA-N
rxn:4:183273:222885,O=C(NC1CCOC1)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1,FIMBAQYQRAIPRQ-UHFFFAOYSA-N
rxn:4:183273:228319,COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OC,VSVAKWGUYMVJCI-UHFFFAOYSA-N
rxn:4:183486:224376,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,ZMJJRMQUYKLBCT-UHFFFAOYSA-N
rxn:4:183590:224286,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,ULLLXXNGYRGGKV-UHFFFAOYSA-N
rxn:4:183765:223832,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)C1,QNARWDGBRRZBRN-UHFFFAOYSA-N
rxn:4:183771:223573,CCN(Cc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)c1ccc(OC(F)(F)F)cc1,ZIMQRFFVZJUTEU-UHFFFAOYSA-N
rxn:4:183804:223933,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)cc2cc(F)ccc21,HSTBUZKLAJKOGH-UHFFFAOYSA-N
rxn:4:183855:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N(Cc3cccc(F)c3)Cc3ccco3)cc2)CC1,GXEFRJHCXSUSSQ-UHFFFAOYSA-N
rxn:4:183865:223999,COC(=O)CN1CCCC(COc2ccccc2-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)C1,GVTXMTPNAHYKOX-UHFFFAOYSA-N
rxn:4:183870:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCC2CN(C(=O)OC(C)(C)C)C2)cc1,KKHRXLIFDJEAJF-UHFFFAOYSA-N
rxn:4:183871:222465,CC(C)(C)OC(=O)N1CC(COc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,UGJRQCYFUHBCQA-UHFFFAOYSA-N
rxn:4:183873:223572,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c1,PKUDQGLYHGIFLI-UHFFFAOYSA-N
rxn:4:183876:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,OMFBYHUSHVPPTD-UHFFFAOYSA-N
rxn:4:183877:223106,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cnc(N3CCC(O)C3)nc2Cl)C1,FPQRMVBSAUMEKG-UHFFFAOYSA-N
rxn:4:183878:223739,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)c2)C1,RDJLJQGLTJRRQT-UHFFFAOYSA-N
rxn:4:183879:223521,CC(c1cccc(-c2ccc(Cl)c(OCC3CN(C(=O)OC(C)(C)C)C3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OSYXSMXPWXMEDL-UHFFFAOYSA-N
rxn:4:183882:223490,Cc1ccc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SEPTVZMDGPZDTG-UHFFFAOYSA-N
rxn:4:183882:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,FIXURTMFJXVRNW-UHFFFAOYSA-N
rxn:4:183882:226870,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(F)c(OC(F)(F)F)c3)c2)C1,KKODCSSNXDRPOS-UHFFFAOYSA-N
rxn:4:183966:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,NMYMMUDVJXBTKT-UHFFFAOYSA-N
rxn:4:183968:224270,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c2)C1,PKCYTYIEKBKHRD-UHFFFAOYSA-N
rxn:4:183968:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(F)cc(OCC2CCN(C(=O)OC(C)(C)C)C2)c1,GWWIIMAHJKJULL-UHFFFAOYSA-N
rxn:4:184001:222810,COC(=O)C1(c2ccc(-c3cc(NC(=O)OC(C)(C)C)ncc3Cl)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,OSFLGCITVFHXPZ-UHFFFAOYSA-N
rxn:4:184013:223532,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,JHGQTAFYHSFTQT-UHFFFAOYSA-N
rxn:4:184013:223790,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,JJHROYBXFSVGJD-UHFFFAOYSA-N
rxn:4:184013:225665,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2)CC1,YJGNHEVPSPLDSF-UHFFFAOYSA-N
rxn:4:184017:223602,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)CC1,YJKYSANBORXCGV-UHFFFAOYSA-N
rxn:4:184017:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1,AQPJHPXVJYJVDW-UHFFFAOYSA-N
rxn:4:184018:225218,CC1CCCN(c2ncc(-c3ccccc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)C1,MYTYSWSKIOHRAC-UHFFFAOYSA-N
rxn:4:184020:223595,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,IATOXUQCBZLMMK-VWLOTQADSA-N
rxn:4:184022:223894,CN1CCN(CCCOc2cccc(-c3ccc(Cl)cc3OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,XGIKEABXUHXFIQ-UHFFFAOYSA-N
rxn:4:184024:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,KQROLTWSIYQJNY-UHFFFAOYSA-N
rxn:4:184024:225711,COC(COc1ccc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1)OC,BTRBWXFPDLJPNV-UHFFFAOYSA-N
rxn:4:184025:223500,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,LMPRLADUPOCVMJ-UHFFFAOYSA-N
rxn:4:184026:226502,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccn(C(=O)OC(C)(C)C)c3)ccc2Cl)C1,LCMVYIXOOPCEBJ-UHFFFAOYSA-N
rxn:4:184027:226021,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2F)CC1,BQMCHNGALXYCBQ-UHFFFAOYSA-N
rxn:4:184029:224974,CN1CCN(Cc2ccccc2-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)CC1,ACBPGPANNQVNTO-UHFFFAOYSA-N
rxn:4:184031:223490,Cc1ccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SLOPOJDBGMDZCK-UHFFFAOYSA-N
rxn:4:184227:223388,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1,CUGYYGZQSCWVLP-UHFFFAOYSA-N
rxn:4:184420:223506,CCOC(=O)c1cc(C(F)F)c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,MSYVXGLSUMXMFR-UHFFFAOYSA-N
rxn:4:184520:224008,CCOC(=O)Cc1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-],MYKPSHWSBCDAMQ-UHFFFAOYSA-N
rxn:4:184525:223490,COC(=O)Cc1cc(OC)c(C#N)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XEFZLTWUOKIUFO-UHFFFAOYSA-N
rxn:4:184766:223976,COc1cc(C(=O)N(C)OC)cc(OC)c1-c1cc(OC2CCCC2)cc(OC(F)(F)F)c1,ZICZWHDNDOAGLK-UHFFFAOYSA-N
rxn:4:184774:224761,O=C(CCc1cccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)ON1C(=O)CCC1=O,NNWWDJWWBXLGPH-UHFFFAOYSA-N
rxn:4:184918:224617,FC1(F)CCN(CCCOc2ccccc2-c2ccc(OCCN3CCCC3)c(Cl)c2)C1,BCRYDPSLSLRQIR-UHFFFAOYSA-N
rxn:4:185100:222628,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,KTVZEMIYFGHMAB-UHFFFAOYSA-N
rxn:4:185111:224589,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(F)cc2CN2CCC(C)CC2)CC1,UBIMRBNSXUICDO-UHFFFAOYSA-N
rxn:4:185145:224397,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)C1,KYNGALDAUQYFRB-UHFFFAOYSA-N
rxn:4:185145:225975,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)C1,GTEDTNXXIDLLMT-UHFFFAOYSA-N
rxn:4:185164:223084,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)c(C(F)(F)F)c2)C1,VMSRTSRLBMJPDI-UHFFFAOYSA-N
rxn:4:185164:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3C(F)(F)F)c(F)cn2)CC1,KUOXIOVHXKSJLW-UHFFFAOYSA-N
rxn:4:185164:225992,CC(C)Cn1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)c(C(F)(F)F)n1,YSVCLGIABMTQLO-UHFFFAOYSA-N
rxn:4:185165:226021,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(Cl)ccc3OCC(F)(F)F)ccc2C(F)(F)F)C1,IPXYIIAPWZCVCG-UHFFFAOYSA-N
rxn:4:185207:223636,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2Cl)C1,IRXNWDQIGVFWIP-UHFFFAOYSA-N
rxn:4:185208:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(F)c1,RHYJKKOFQOOZMA-UHFFFAOYSA-N
rxn:4:185208:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,GWSCLVCQVBAKLL-UHFFFAOYSA-N
rxn:4:185208:224277,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2F)C1,KIQHMKWWWVQHSX-UHFFFAOYSA-N
rxn:4:185260:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc12,JQRBKHVMGFMMGN-UHFFFAOYSA-N
rxn:4:185269:222729,CCCc1cc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)cc2)cc(C2CCCNC2)n1,SSVXJAFVPWDMOM-UHFFFAOYSA-N
rxn:4:185271:223939,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2Cl)(C(F)(F)F)C1,UXPBBFORIMXXFF-UHFFFAOYSA-N
rxn:4:185309:223602,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2)CC1,CALHGXLNRXATAK-UHFFFAOYSA-N
rxn:4:185314:226511,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3cc(Cl)cnc3OCC3CC3)c2)C1,KWGHOZBOONXYSM-UHFFFAOYSA-N
rxn:4:185318:224356,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,VXTVUBQYGAQGAI-UHFFFAOYSA-N
rxn:4:185324:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,PJNALVZDEPUBAK-UHFFFAOYSA-N
rxn:4:185324:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,MGGFMGPYVIQBPP-UHFFFAOYSA-N
rxn:4:185352:226714,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2)CC1,QLHMYEKNEIOSCL-UHFFFAOYSA-N
rxn:4:185354:223650,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,XADJEVCFEKHMDF-UHFFFAOYSA-N
rxn:4:185354:224276,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cn(C(=O)OC(C)(C)C)c3cccnc23)CC1,VXDCHUKOULRSCB-UHFFFAOYSA-N
rxn:4:185371:223933,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,OLUMSBBSVNYLPL-UHFFFAOYSA-N
rxn:4:185376:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccccc1S(=O)(=O)N1CCCC(S(=O)(=O)CC(C)C)C1,SIVXFHBFIZZEGJ-UHFFFAOYSA-N
rxn:4:185381:223149,CCOc1cc2cn[nH]c2cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,APTFNYJSGASMLZ-UHFFFAOYSA-N
rxn:4:185382:223529,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2C(F)(F)F)CC1,NDPUEIGEKKTSQA-UHFFFAOYSA-N
rxn:4:185382:225665,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3N3CCCCC3)ccc2C(F)(F)F)CC1,RHNMPWMSNAWAFW-UHFFFAOYSA-N
rxn:4:185383:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,AYXTXQJIXCIBKZ-UHFFFAOYSA-N
rxn:4:185386:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)cc2[N+](=O)[O-])CC1,DAFPUELBJWDSKB-UHFFFAOYSA-N
rxn:4:185387:228699,CN(C)c1cncc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)c1,KTPSGWSEHVZPRF-UHFFFAOYSA-N
rxn:4:185401:223506,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,KQYJPFLFMRWDNA-UHFFFAOYSA-N
rxn:4:185408:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(C2CC2)c(C2CCN(C(=O)OC(C)(C)C)C2)c1,CHQPFAMXQMDUSO-UHFFFAOYSA-N
rxn:4:185408:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,ANQJOACQHBFBGX-UHFFFAOYSA-N
rxn:4:185410:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)CC1,MMYNQTSULHBPLA-UHFFFAOYSA-N
rxn:4:185413:222792,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cc(NC(=O)OC(C)(C)C)ccc1F,YAUKXIHMOVGTEA-UHFFFAOYSA-N
rxn:4:185419:223578,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)C1,HEOHIMQLUPBEQH-UHFFFAOYSA-N
rxn:4:185421:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3C3CC3)cc2)CC1,JGIHZNBSMSZFDL-UHFFFAOYSA-N
rxn:4:185441:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4(c5ccc(Cl)cc5)CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,BGCLOBWBRWYVEW-UHFFFAOYSA-N
rxn:4:185546:227386,COC(=O)c1cc(-c2cnn(C3CCCCC3)c2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,BOUWERGLHMKVJR-UHFFFAOYSA-N
rxn:4:186541:223120,O=C(NC1CC1)c1cccc(-c2cccc(C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)c1,CJGIYIYKVSMRMG-UHFFFAOYSA-N
rxn:4:186660:225163,COc1cccc(-c2ccccc2C(=O)N2CCOCC2)c1C(=O)ON1C(=O)CCC1=O,AVZDJAUPFDWBTM-UHFFFAOYSA-N
rxn:4:186736:222513,COC(=O)c1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c(CN2CC(F)(F)C2)c1,UNQLGFUDNOTTBH-UHFFFAOYSA-N
rxn:4:186749:225926,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)SC1=S,QOMIEVKLYVQEJY-UHFFFAOYSA-N
rxn:4:186922:222465,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1OC(F)(F)F)N1CCOCC1,ZVLVTILLIWPRKN-UHFFFAOYSA-N
rxn:4:186922:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc(C2CCCNC2)n1,PDHHBDFPLBSQQK-UHFFFAOYSA-N
rxn:4:186999:225155,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2ccc(C(=O)N3CCOCC3)cc2)c1,JLUCWEUMIFPDMT-UHFFFAOYSA-N
rxn:4:187124:224658,CCOc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,IMUKCGYCIFBWDZ-UHFFFAOYSA-N
rxn:4:187195:223811,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(N(C)C2CCC2)c1C,OUFDSVKQCRTQSS-UHFFFAOYSA-N
rxn:4:187195:223976,COC(=O)c1cc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc(N(C)C2CCC2)c1C,SPGKDSCIXFPNEJ-UHFFFAOYSA-N
rxn:4:187207:223939,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc2Cl)C1,VASGPZOKMRRBCV-UHFFFAOYSA-N
rxn:4:187214:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,XJXREKINLPXYCR-UHFFFAOYSA-N
rxn:4:187220:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)c(Cl)c2)CC1,IWJGUPDCRYMQOQ-UHFFFAOYSA-N
rxn:4:187220:224720,CC(C)(C)OC(=O)N1CC(c2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,NWXFMWXXWCGBCA-UHFFFAOYSA-N
rxn:4:187222:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)C1,XQYBZJWWEYYIQB-UHFFFAOYSA-N
rxn:4:187363:223901,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c(CN(C)C2CCOCC2)c1,AAVOZFMBQYQULL-UHFFFAOYSA-N
rxn:4:187379:224396,Cc1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(C)CC2)ccc1S(=O)(=O)N1CCOCC1,WSRNUZKHAVOLLB-UHFFFAOYSA-N
rxn:4:187405:223999,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,VMKLMJCLQZWYHZ-UHFFFAOYSA-N
rxn:4:187406:225061,Cc1cc(-c2ccc(N3CCC(C)CC3)cc2F)ccc1OCC(=O)N1CCC(C)CC1,IRKWOYUFWVZEGZ-UHFFFAOYSA-N
rxn:4:187418:224962,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccccc3COC3CCOCC3)c2)C1,HMPLXTGBNZCQLS-UHFFFAOYSA-N
rxn:4:187419:223503,Cc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1C1CN(C(=O)OC(C)(C)C)C1,LXPBTQQSXIJQJU-UHFFFAOYSA-N
rxn:4:187419:223594,Cc1cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,ZGKZDWLRLQNGHV-UHFFFAOYSA-N
rxn:4:187436:223941,Cc1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c(C2CN(C(=O)OC(C)(C)C)C2)c1,SRZMMKGTOCFISY-UHFFFAOYSA-N
rxn:4:187439:225716,COCCOCc1cc(F)ccc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)co1,KKMPBRZMIWBPOM-UHFFFAOYSA-N
rxn:4:187445:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2)CC1,PFHZPHJEBILICK-UHFFFAOYSA-N
rxn:4:187488:225877,CCOc1ccc(-c2ccc(Cl)cc2N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,CPROJDLRFPUGHB-UHFFFAOYSA-N
rxn:4:187496:225035,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1,HUJWZEVEWARSMX-UHFFFAOYSA-N
rxn:4:187542:223842,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(OC)c1CN1CCC(C)CC1,JTACOSWBUMPHTL-UHFFFAOYSA-N
rxn:4:187542:225128,COC(=O)C1(c2ccc(F)c(-c3cc(OC)c(CN4CCC(C)CC4)c(OC)c3)c2)CC1,CNJGBSQYWFSKGE-UHFFFAOYSA-N
rxn:4:187558:225592,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)ccc3CN3CCCC3)cc2)C(=O)C1,PUVVLMDTNVLXHN-UHFFFAOYSA-N
rxn:4:187578:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)ccc1C1CCN(C(=O)OC(C)(C)C)C1,BCSSQIHQEHUHSA-UHFFFAOYSA-N
rxn:4:187579:223507,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,HFGQVDWZKOHJIL-UHFFFAOYSA-N
rxn:4:187580:223773,COc1cccc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4C)o3)n(C(=O)OC(C)(C)C)c12,ATYGNVXBKZMEBX-UHFFFAOYSA-N
rxn:4:187582:223884,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,GCGMAIXPDPTWDD-UHFFFAOYSA-N
rxn:4:187584:225233,CC1CCCN(c2cc(-c3ccc(Cl)cc3C3CCCN(C(=O)OC(C)(C)C)C3)cnc2Cl)C1,QZZYMGZWQXPQAF-UHFFFAOYSA-N
rxn:4:187586:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)ccn2)CC1,QNYVGMCZRIFILL-UHFFFAOYSA-N
rxn:4:187586:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cnc2C1,UMPCZOOJJWUINP-UHFFFAOYSA-N
rxn:4:187586:226716,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cc2Cl)C1,PWNWJQAHLNIKRU-UHFFFAOYSA-N
rxn:4:187594:224276,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2)C1,XEMAFCODVOXZPT-UHFFFAOYSA-N
rxn:4:187595:223040,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(C(=O)NC4CC4)c(F)c3)c2)CC1,RIMDOWVPMPWPGE-UHFFFAOYSA-N
rxn:4:187595:223084,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cnc(N4CCC(O)CC4)nc3)c2)CC1,AVJSYBXSPHMGFN-UHFFFAOYSA-N
rxn:4:187595:223502,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,ACKVSEJTXWVRQP-UHFFFAOYSA-N
rxn:4:187626:224878,CCOc1ccc(-c2ccccc2COC2CCCCC2)cc1S(=O)(=O)N1CC(C)CC(C)C1,BDADIADRIDRLOF-UHFFFAOYSA-N
rxn:4:187631:223595,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,CSCNFYGDCWWFIG-UHFFFAOYSA-N
rxn:4:187668:223650,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,FYVVVOFONQNINW-UHFFFAOYSA-N
rxn:4:187673:225287,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)c1,HEKYAMVFJAYIGO-UHFFFAOYSA-N
rxn:4:187676:223894,CN1CCN(CCCOc2cccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)c2)CC1,ZCCTVCVSBZMIBP-UHFFFAOYSA-N
rxn:4:187681:225287,Cc1cc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,PVOLVVZFMMKRPM-UHFFFAOYSA-N
rxn:4:187689:226229,COCCCOc1cccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)c1,LUOQJGDZAGAQNT-UHFFFAOYSA-N
rxn:4:187822:223527,CC(C)(C)OC(=O)CN1Cc2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2C1=O,DWXAQASRXKTVJM-UHFFFAOYSA-N
rxn:4:188531:223529,CCOc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1[N+](=O)[O-],KASKHPFPKIIMGI-UHFFFAOYSA-N
rxn:4:188605:223670,CCOc1c(F)ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-],SGZZKZYSVAFFKZ-UHFFFAOYSA-N
rxn:4:189209:224764,O=C(ON1C(=O)CCC1=O)c1cc(Cl)cc(-c2ccc(C(=O)N3CCOCC3)cc2F)c1,OOFLYUZRLPXPFU-UHFFFAOYSA-N
rxn:4:189211:222773,O=C(NC1CCOCC1)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2Cl)cc1,NFBVTDXIKFXOQP-UHFFFAOYSA-N
rxn:4:189921:224720,COC(=O)c1c(C2CCOCC2)ccnc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,VWIDQHDWJOMDHY-UHFFFAOYSA-N
rxn:4:190128:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(OC)CC4)cc3Cl)cc2F)CC1,ODRQWSKCULKUPJ-UHFFFAOYSA-N
rxn:4:190140:223598,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,SXKKNOPVDNHEQD-UHFFFAOYSA-N
rxn:4:190152:224397,CCC(C)N1C(=O)SC(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)C1=O,RZZQYCICYWEPPB-UHFFFAOYSA-N
rxn:4:190183:223811,COc1c(CN2CCCCC2)cccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,JXYKPDLIVJQOEF-UHFFFAOYSA-N
rxn:4:190186:223923,COc1ccc(-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)c(CN2CCCCC2)c1,MWTKKOYNVMVTAL-UHFFFAOYSA-N
rxn:4:190213:223976,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(OC2CCCC2)cc(OC(F)(F)F)c1,WZDGWXGDQBGSIW-UHFFFAOYSA-N
rxn:4:190219:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(Oc4ccccc4C(C)(C)C)nc3)c2)CC1,FGHXJJGLBYYUEA-UHFFFAOYSA-N
rxn:4:190376:225296,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCCC1,XHNDQRXMOPWBJV-UHFFFAOYSA-N
rxn:4:190381:224753,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)c2)C1,UGHYQRHMDQQWII-UHFFFAOYSA-N
rxn:4:190411:224187,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCCCC2)cc1F,JBYQTCAYQJMQOH-UHFFFAOYSA-N
rxn:4:190462:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(C2CCCN2CC2CCOCC2)cc1,DTNOCCIFVSKWKR-UHFFFAOYSA-N
rxn:4:190558:222426,CCOC(=O)n1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c2ccccc21,LGITYNAJZWLEJZ-UHFFFAOYSA-N
rxn:4:190690:224371,CCOC(=O)c1[nH]c2c(c1-c1cnc(N3CCC(C(=O)OC)CC3)nc1)CCCC2=O,NCZQIIWZUUHFEJ-UHFFFAOYSA-N
rxn:4:190948:223750,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3ccc4cccnc4c3O[Si](C)(C)C(C)(C)C)ccc2S1(=O)=O,PJBGEGSBZYPTNR-UHFFFAOYSA-N
rxn:4:190991:223818,CC(C)(C)OC(=O)N1CCSc2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)ccc2C1,PFAUDFZQXASCGF-UHFFFAOYSA-N
rxn:4:191115:223490,Cc1ccc(-c2ccc3c(c2)COC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IKOPMULXOMITLM-UHFFFAOYSA-N
rxn:4:191120:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)c1,SZFHAJDETPHOPC-UHFFFAOYSA-N
rxn:4:191120:223941,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc1C2=O,ULIHQCIEFNCOOS-UHFFFAOYSA-N
rxn:4:191120:226089,CCN(CC)Cc1ccccc1-c1cc2c(cc1F)CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O,LBYXSNIBXXQLOD-UHFFFAOYSA-N
rxn:4:191121:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3F)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)cc21,XGYCJSKHNBCHKJ-UHFFFAOYSA-N
rxn:4:191130:224022,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3O2)CC1,CSQMPIUMLFPDNO-UHFFFAOYSA-N
rxn:4:193560:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1CCCC1,LZWNRJNCJUBLHF-UHFFFAOYSA-N
rxn:4:193626:224415,CC(C)N1C(=O)C(=Cc2ccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2)SC1=S,ABJKNPIGPTVHIZ-UHFFFAOYSA-N
rxn:4:193631:224760,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,DGEUIVOWWVORAA-UHFFFAOYSA-N
rxn:4:193632:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(F)(F)CC4)cc3)cc2)CC1,KYSNJLDFVYXMAJ-UHFFFAOYSA-N
rxn:4:193685:224379,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)ccc1S(=O)(=O)N1CCOCC1,XOARBQFQVYTBSS-UHFFFAOYSA-N
rxn:4:193691:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N2CCC(=C3CC3)CC2)o1,RGFMENZVLIOLJT-UHFFFAOYSA-N
rxn:4:193814:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CCC(C)CC2)cc1F,LHWXMVCBBWKHKD-UHFFFAOYSA-N
rxn:4:193877:222723,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,QMPLIVWTPGRJBY-UHFFFAOYSA-N
rxn:4:193888:222699,Cc1cc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,WHKWPDKLUNWDMH-UHFFFAOYSA-N
rxn:4:193935:223095,CC(=O)Nc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)c1[N+](=O)[O-],YKUFXJJHEAFBHI-UHFFFAOYSA-N
rxn:4:193935:224976,N#Cc1c(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)cccc1N1CCCCC1,AJLMXDVDPKEJFH-UHFFFAOYSA-N
rxn:4:193961:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3C)cc2F)CC1,XAGVHHNSCKHNQL-UHFFFAOYSA-N
rxn:4:193973:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,DNLPZOFSQFLGPR-UHFFFAOYSA-N
rxn:4:193973:224326,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1S(=O)(=O)N1CCCCC1,UPASINWUZSCNON-UHFFFAOYSA-N
rxn:4:194741:224397,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1ccc(S(=O)(=O)N3CCC(=O)CC3)cc1)C2,UCFUSISIMANZCC-UHFFFAOYSA-N
rxn:4:194789:226901,O=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,RKWDLNDCRJSNRM-UHFFFAOYSA-N
rxn:4:194903:223482,COc1nocc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AGLIMNMCKMZYCR-UHFFFAOYSA-N
rxn:4:196936:224009,COc1ccc(-c2ccc(N3C(=O)CSC(C)C3=O)cc2)cc1S(=O)(=O)N1CCOCC1,NUACYHPEOOVYAW-UHFFFAOYSA-N
rxn:4:197030:223659,Cc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1N1CCCCC1=O,KGPULTXRBLUYBJ-UHFFFAOYSA-N
rxn:4:197930:223787,CN1CCN(CCCOc2ccc(-c3cccc4c3CCC4N3CCOCC3)cc2F)CC1,ANEVUQQRCDNHRD-UHFFFAOYSA-N
rxn:4:198015:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)c1,UTSDSQDLMKZQHG-UHFFFAOYSA-N
rxn:4:199557:223480,Cc1cc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NYPUIFSBJMKVDD-UHFFFAOYSA-N
rxn:4:199557:223939,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc2C#N)C1,SVUAKXFTEWNWBG-UHFFFAOYSA-N
rxn:4:199557:226747,CCc1ncc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)cc1C(F)(F)F,JPEXGRWWZOSXSC-UHFFFAOYSA-N
rxn:4:199622:224155,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc2)CC1,LTWSNKOKPSQKSK-UHFFFAOYSA-N
rxn:4:199649:223106,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCC(O)C2)nc1Cl,IYJXQKLFSASFNZ-UHFFFAOYSA-N
rxn:4:199650:226413,Cc1cc(-c2cccc(N3CCOCC3)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,YOIHLRPVSVUSKO-UHFFFAOYSA-N
rxn:4:199652:223773,COc1cccc2cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c12,BEISBVQTEQICIJ-UHFFFAOYSA-N
rxn:4:199707:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(SCC2CCCN(C(=O)OC(C)(C)C)C2)n1,LGZWUDAXXUGURP-UHFFFAOYSA-N
rxn:4:199711:223883,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)nc2)C1,RILYPIKJIWDKNB-UHFFFAOYSA-N
rxn:4:199712:227358,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C)cc(OCC)c1F,FBNABLDELRNRNC-UHFFFAOYSA-N
rxn:4:199726:225312,CN1CCCN(c2ncc(-c3cc(C#N)c(F)c(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,OXSAIYHZJIJWGM-UHFFFAOYSA-N
rxn:4:199743:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,ZEMSGFBSPBBNSQ-UHFFFAOYSA-N
rxn:4:199760:222948,C[Si](C)(C)CCOC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(O)CC3)nc2Cl)CC1,DXUKCFBHBUDOME-UHFFFAOYSA-N
rxn:4:199764:223930,COC(=O)c1cc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,LMWICRDVJFPDPL-UHFFFAOYSA-N
rxn:4:199764:225312,COC(=O)c1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,WZGZSNOIZSIXBY-UHFFFAOYSA-N
rxn:4:199770:223575,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,URFZRNWASPBKCX-UHFFFAOYSA-N
rxn:4:199790:222809,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,MYPGAFMNISCNMW-UHFFFAOYSA-N
rxn:4:199790:223637,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1,VRYSGXSFKRGYAN-UHFFFAOYSA-N
rxn:4:199790:228218,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CC2)ncc1F,USZKNCRFSLVZJW-UHFFFAOYSA-N
rxn:4:199791:223556,COc1ccc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QAIPMDDIQLORLP-UHFFFAOYSA-N
rxn:4:199809:223578,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c1,VWPDUJHXMPCADT-UHFFFAOYSA-N
rxn:4:199811:222790,CC1CN(C(=O)Cc2cc(F)ccc2-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,XVCMOVDTNNOXRS-UHFFFAOYSA-N
rxn:4:199811:225233,CC1CCCN(c2cc(-c3ccc(F)cc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnc2Cl)C1,SNLLXIXHQFHUBF-UHFFFAOYSA-N
rxn:4:199812:223500,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CCN1C(=O)OC(C)(C)C,BQOPBDAGNSHZFA-UHFFFAOYSA-N
rxn:4:199813:223501,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,KOFNJOPLWASOFQ-UHFFFAOYSA-N
rxn:4:199817:223493,CCCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,GXMYKBBDZGZIRU-UHFFFAOYSA-N
rxn:4:199847:225926,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c(OC)c2)CC1,MMGJYXOFQHWDMB-UHFFFAOYSA-N
rxn:4:199860:222729,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(CCC)nc(C2CCCNC2)c1,QMJRQKBMXAUHCM-UHFFFAOYSA-N
rxn:4:199863:223679,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(CC)CC2)c(C)c1,JFBNGEXBKFGFMH-UHFFFAOYSA-N
rxn:4:199869:224376,CCCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,CVIBNWFZQVITTK-UHFFFAOYSA-N
rxn:4:199876:225165,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1ccc(N2CCOCC2)c(OC)c1,JXZUTCHEYSVEPH-UHFFFAOYSA-N
rxn:4:199883:225517,CN(C)CCCOc1cccc(-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c1,VGRWWWGYWPSTPW-UHFFFAOYSA-N
rxn:4:199961:225975,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccc2n1,CPJJHESRIDZNJX-UHFFFAOYSA-N
rxn:4:200008:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(ccn2CC2CCN(C(=O)OCc3ccccc3)CC2)c1,NMGYQAUYYBZLGP-UHFFFAOYSA-N
rxn:4:200152:223695,COCC(C(=O)OC)n1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,CHWXESWRWFRQLZ-UHFFFAOYSA-N
rxn:4:200232:223834,Cc1cc(-c2nc(Cl)cn2COCC[Si](C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C)CC1,QDKKWYAORBRJOL-UHFFFAOYSA-N
rxn:4:200340:224604,Cc1nc2cc(-c3cc([N+](=O)[O-])ccc3OCCN3CCC(F)(F)CC3)c(F)cc2n1C(C)(C)C,BQUGCVSSDFXFFX-UHFFFAOYSA-N
rxn:4:200370:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,JHFMKSIQPGMVNO-UHFFFAOYSA-N
rxn:4:200386:222807,O=C(NC1CC1)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc([N+](=O)[O-])c1,AMBVMARDTUBROX-UHFFFAOYSA-N
rxn:4:200386:227695,COc1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc([N+](=O)[O-])c1,WVTUOIYBVOMBMZ-UHFFFAOYSA-N
rxn:4:200398:224080,O=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCN=C1SCc1ccccc1F,HARBVLQQXNXARR-UHFFFAOYSA-N
rxn:4:200467:222776,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2F)CC1,CCIDTVWILHOICT-UHFFFAOYSA-N
rxn:4:200473:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,UWTLLRVRDLWFLW-OAQYLSRUSA-N
rxn:4:200479:226042,COCCN1CCN(S(=O)(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)CC1,KYIGQGDDPXHSQO-UHFFFAOYSA-N
rxn:4:200559:224290,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)co2)CC1,BGXSLRXNQGNQGC-UHFFFAOYSA-N
rxn:4:200559:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)co2)CC1,GELNJBIFIVFJGP-UHFFFAOYSA-N
rxn:4:200563:227587,COc1cc(-c2ccccc2C(=O)N2CCC(CSC3=NCCS3)CC2)cc(F)c1OC,XYJGIAJLBAABGL-UHFFFAOYSA-N
rxn:4:200567:222480,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)Nc4cccc(C)c4C)c3)c(C)c2)CC1,JINKIJKNOCZTOA-UHFFFAOYSA-N
rxn:4:200600:224393,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,KODHDDQTOLYDRH-UHFFFAOYSA-N
rxn:4:200600:225728,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OCCC)c(F)c1F,PKDKXAFXGQSXJQ-UHFFFAOYSA-N
rxn:4:200602:223507,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LGYIMKMSWAGSJY-UHFFFAOYSA-N
rxn:4:200605:222790,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1,LWKBDBQQJUSFLH-UHFFFAOYSA-N
rxn:4:200607:226549,CCOc1c(Cl)cc(-c2cccnc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,NLPBIWNPERHORR-UHFFFAOYSA-N
rxn:4:200610:227549,COC(=O)c1cc(Cl)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,YGZMWUGVUSHXQA-UHFFFAOYSA-N
rxn:4:200640:225210,CCn1nc(C)c(-c2cnc(N3CCC(C)CC3)nc2C)c1CO[Si](C)(C)C(C)(C)C,ZBIPBTNRFFOYSV-UHFFFAOYSA-N
rxn:4:200643:222948,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)nc2)CC1,ZHXPORKNJXJVIH-UHFFFAOYSA-N
rxn:4:200649:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1,QSHREKSIZVAURI-UHFFFAOYSA-N
rxn:4:200650:223937,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,CVLPKPDQXJIBJH-UHFFFAOYSA-N
rxn:4:200650:223989,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)CC1,KLZOTWOLJGNOQY-UHFFFAOYSA-N
rxn:4:200651:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,HLUZNKWVLKCAEM-UHFFFAOYSA-N
rxn:4:200652:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,OHBMZBFUPUTEPR-UHFFFAOYSA-N
rxn:4:200698:223998,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)ccc1CN1CCN(C(C)C)CC1,XGNNAOLHDDEWHZ-UHFFFAOYSA-N
rxn:4:200700:227694,COC(=O)c1cc(-c2cc(Cl)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)n1,LEIUBOUYLUXBJZ-UHFFFAOYSA-N
rxn:4:200703:225472,CC1CCCCN1c1cccc(-c2ccc(Cl)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,RABKRVCDBYBJEK-UHFFFAOYSA-N
rxn:4:200708:222971,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)c(F)c2)CC1,ULYZGZQCFKQIPN-UHFFFAOYSA-N
rxn:4:200710:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,BZNDTGUAGPSQOJ-UHFFFAOYSA-N
rxn:4:200733:223012,COC(=O)c1cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)ccc2[nH]1,BTGXWEWLYPHUNN-UHFFFAOYSA-N
rxn:4:200734:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,WAEQJJRRSIELIY-UHFFFAOYSA-N
rxn:4:200740:225758,CC(C)(C)OC(=O)c1cnccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F,KJHYTHPPQVXYPX-UHFFFAOYSA-N
rxn:4:200740:227001,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc(SCC4CC4)c3)c(F)cc2F)CC1,HIJSWPJYIYTFCJ-UHFFFAOYSA-N
rxn:4:200740:228427,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)c(F)c1Cl,MNAWKZJPZFXUCW-UHFFFAOYSA-N
rxn:4:200760:222929,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(Cl)c(N2CCC(O)CC2)c1,KTSNXZMYZKONKV-UHFFFAOYSA-N
rxn:4:200763:224290,COc1ncc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,DEHWVPOLLRQJBW-UHFFFAOYSA-N
rxn:4:200799:229155,O=C(CCc1ccccc1-c1cn(C2CC2)nn1)N1CCC(N2C(=O)COCC2=O)CC1,URDFHJFMEUKODW-UHFFFAOYSA-N
rxn:4:200814:225210,Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,RAEIFXPWPVFKGL-UHFFFAOYSA-N
rxn:4:200824:222928,Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HTEBPJQKDVGCFO-UHFFFAOYSA-N
rxn:4:200824:227100,Cc1ccc(-c2c(C)cc(C3CC3)cc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AZWYDDGAZZRHFS-UHFFFAOYSA-N
rxn:4:200826:223084,Cc1cc(-c2cnc(N3CCC(O)CC3)nc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PRUWJFLNEZKCDF-UHFFFAOYSA-N
rxn:4:200828:223521,CC(c1cccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FSKKQCXYKHEIQJ-UHFFFAOYSA-N
rxn:4:200828:223638,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(F)cc1F,YEMLLBGMCUGFFP-UHFFFAOYSA-N
rxn:4:200828:223668,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)c(F)cc1F,ODYZYQQWBAILJD-UHFFFAOYSA-N
rxn:4:200830:222630,COc1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC,HTXCQPRZAOUIGM-UHFFFAOYSA-N
rxn:4:200832:225875,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(N2CCOCC2)cc1Cl,WZOOZIQVNYUWNI-UHFFFAOYSA-N
rxn:4:200844:224277,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2C2CC2)CC1,ADOYYKOZRLIDQH-UHFFFAOYSA-N
rxn:4:200871:224974,Cc1cc(-c2ccccc2CN2CCN(C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UMNPHAHGJDWKGZ-UHFFFAOYSA-N
rxn:4:200881:224694,COc1cccc(-c2ncc(-c3ccccc3CCC(=O)N3CCCN(C4CCSCC4)CC3)cc2Cl)c1,MRZCYTXVGYCGLH-UHFFFAOYSA-N
rxn:4:200882:223127,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(CNC4CC4)cc3F)c1)C2,BEHCZCNTYPSRNV-UHFFFAOYSA-N
rxn:4:200884:229064,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccnn3C3CC3)cc1)C2,VEVPQTIIFWZENR-UHFFFAOYSA-N
rxn:4:201109:224290,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc32)C1,XHQHGCNJBVBXJQ-UHFFFAOYSA-N
rxn:4:201150:228248,CC(=O)c1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c(F)c1,LKQYAILLHKMJJA-UHFFFAOYSA-N
rxn:4:201151:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)c1,NZVXTMMIYORAFY-UHFFFAOYSA-N
rxn:4:201305:223696,COC(=O)CCn1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1C,GXRQHDGYFCMMRJ-UHFFFAOYSA-N
rxn:4:201384:223813,CCOC(=O)Cn1nc(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1C,NNKZPPLIRLHFCV-UHFFFAOYSA-N
rxn:4:201392:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nccn1CC(=O)OC(C)(C)C,JFIDBVMGEGHVBL-UHFFFAOYSA-N
rxn:4:201599:223997,Cc1cc(-c2cc(OCCN3CCOCC3)ccn2)cc(C)c1S(=O)(=O)N1CCOCC1,OCBJQNNUBQWGEJ-UHFFFAOYSA-N
rxn:4:201704:226333,O=C(c1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)c1)N1CCC1,ZLZREJLYTDWNJG-UHFFFAOYSA-N
rxn:4:201760:227386,O=C(Cc1ccc(-c2cnn(C3CCCCC3)c2)cc1)N1CC(N2C(=O)CSC2=O)C1,IYFKVROEVJQWEO-UHFFFAOYSA-N
rxn:4:201775:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3nc(C4CCN(C(=O)OC(C)(C)C)C4)cs3)cc2)CC1,DYXWUOIPOXTDAG-UHFFFAOYSA-N
rxn:4:201786:222634,CCOC(=O)C1CCN(c2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,QAMOWYBSJHBFHJ-UHFFFAOYSA-N
rxn:4:201817:222846,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(C2CCCNC2)ccc1C#N,KHKIENJZOVRWHU-UHFFFAOYSA-N
rxn:4:201836:224759,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cs2)C1,HOMRUQOEBCFGFR-UHFFFAOYSA-N
rxn:4:201839:224819,CCC(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1,SOEFAPJWSNXBBA-UHFFFAOYSA-N
rxn:4:201897:225189,O=C(c1ccc(-c2cccc(CN3C(=O)CCC3=O)c2)cc1)N1CCN(C(=O)C2CC2)CC1,NNSYILHCPXQRSM-UHFFFAOYSA-N
rxn:4:201908:226900,O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C1,VLXDBIHMQWZOGT-UHFFFAOYSA-N
rxn:4:201928:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)C2)n1,KNELCIDJFJGTDA-UHFFFAOYSA-N
rxn:4:201936:225718,COC(COc1cccc(-c2ccc(C(=O)N3CCCSCC3CN(C)C)o2)c1)OC,QQUBBCNMMJMPGV-UHFFFAOYSA-N
rxn:4:201945:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cncc([C@H]2CCCN2C(=O)OC(C)(C)C)c1,HDOGKOHUAZVMLB-JOCHJYFZSA-N
rxn:4:201962:224612,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(OCCN3CCOCC3)cc2)c1,OLXQYESIFLDEDR-UHFFFAOYSA-N
rxn:4:201989:224683,CCOc1ccc(CN2CCN(C)CC2)cc1-c1cc(F)cc(C(=O)N2CCCCC2)c1,ZUSBOAFNSBAWAH-UHFFFAOYSA-N
rxn:4:201995:225975,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccn2)C1,YDMAVUVBCZTDGF-UHFFFAOYSA-N
rxn:4:201996:222741,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)C1,OSSWIHCPERTYAA-UHFFFAOYSA-N
rxn:4:201996:223588,Cc1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,TZZPTFKQIXAFRP-UHFFFAOYSA-N
rxn:4:202001:223993,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)ccc1S(=O)(=O)N1CCN(C)CC1,OHLUWGBCKQBSKZ-UHFFFAOYSA-N
rxn:4:202001:224270,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c1,AUJQNOXLRQNMEA-UHFFFAOYSA-N
rxn:4:202011:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c(F)c2)CC1,QNIRDNKXKVRQPV-UHFFFAOYSA-N
rxn:4:202011:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc21,XEBQRHFYQYSAMM-UHFFFAOYSA-N
rxn:4:202011:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)cnc1Cl,HURJSTFSDPQEFE-UHFFFAOYSA-N
rxn:4:202011:225984,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,CWNJNQQVBLQLLU-UHFFFAOYSA-N
rxn:4:202020:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnccc3C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)CC1,ORGPRKKQSITCEU-UHFFFAOYSA-N
rxn:4:202020:224274,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cc3cnccc3n2C(=O)OC(C)(C)C)C1,TWNHXBRCJIPMIC-UHFFFAOYSA-N
rxn:4:202073:222929,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)c(N3CCC(O)CC3)c2)C(=O)C1,JNGUYWUJBULSJZ-UHFFFAOYSA-N
rxn:4:202101:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1csc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,LPNNRNXNKOVQSQ-UHFFFAOYSA-N
rxn:4:202101:225829,CC1CCN(c2ncc(-c3csc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cn2)CC1,MROBSUXHZIJIID-UHFFFAOYSA-N
rxn:4:202106:222729,CCCc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)cc(C2CCCNC2)n1,ZPANJWVQLIHXPE-UHFFFAOYSA-N
rxn:4:202108:223596,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,GPVDVGROUVRMQE-UHFFFAOYSA-N
rxn:4:202115:223638,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,ICGCFOGQZAUEHI-UHFFFAOYSA-N
rxn:4:202115:223818,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)CC1,XZJSREFFOJLLTR-UHFFFAOYSA-N
rxn:4:202126:223775,COc1ccc2c(c1)c(-c1ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc1C)cn2C(=O)OC(C)(C)C,BXYCOHCUONSQES-UHFFFAOYSA-N
rxn:4:202126:224160,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,FRWOBCHAXXCJPF-UHFFFAOYSA-N
rxn:4:202126:224272,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2ccncc2n1C(=O)OC(C)(C)C,QKVGPUFATMXLGZ-UHFFFAOYSA-N
rxn:4:202126:225227,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(C)CC2)c(Cl)c1,HCIBKMOGKINSLI-UHFFFAOYSA-N
rxn:4:202127:225876,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2cc(Cl)ccc2N2CCOCC2)CC1,PYEBKMWSFVKMCT-UHFFFAOYSA-N
rxn:4:202156:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1,BKJYISOGBFIJSP-UHFFFAOYSA-N
rxn:4:202161:222674,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cccc(C(=O)NC2CCCCC2)c1F,LHMRHZHYTREWLW-UHFFFAOYSA-N
rxn:4:202163:223588,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,PEYFSERPVQRUHY-UHFFFAOYSA-N
rxn:4:202170:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3CN3CCOC(C(=O)N4CCCC4)C3)ccn2)CC1,RIFJSFBBTYOFRD-UHFFFAOYSA-N
rxn:4:202175:225127,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)c(F)c(OCC(C)C)c1F,RQZTURXDJMFMHC-UHFFFAOYSA-N
rxn:4:202184:224080,FC(F)(F)c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1N1CCN(Cc2ccccc2)CC1,FCONEAUNQITUJP-UHFFFAOYSA-N
rxn:4:202207:223658,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2)CC1,OGXAIHZVJXDMRG-UHFFFAOYSA-N
rxn:4:202211:223997,Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)n1,WQLBKOUDVPXCPT-UHFFFAOYSA-N
rxn:4:202226:223928,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1,BDLHLKKXIWCKRW-UHFFFAOYSA-N
rxn:4:202226:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C)n2)c(Cl)c1,XTCZUPBMKUHVIG-UHFFFAOYSA-N
rxn:4:202227:223669,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,BDAVXMVUZVDGHR-UHFFFAOYSA-N
rxn:4:202234:226579,Cc1c(-c2cc(F)cc(C(=O)N(C)C)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,LBDCJIVQHXEGJC-UHFFFAOYSA-N
rxn:4:202236:224964,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(COC3CCOCC3)cc2)c1,UTZOMLMOUFPGCC-UHFFFAOYSA-N
rxn:4:202237:223939,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cn1,UYCGQRJAYKFKMR-UHFFFAOYSA-N
rxn:4:202274:223951,CN1CCN(CCOc2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2F)CC1,ZOXVKQBHGUZUAS-VEEOACQBSA-N
rxn:4:202279:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2C)cc(S(=O)(=O)N2CCCC2)c1,OQGALTSKEKIGFG-UHFFFAOYSA-N
rxn:4:202295:223842,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,OZEOZXVYBQHQEA-UHFFFAOYSA-N
rxn:4:202306:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,STKJVWHXQBEQNB-UHFFFAOYSA-N
rxn:4:202306:224182,CCN1CCN(Cc2cc(-c3ccc(OCCN4CCOCC4)c(C)c3)cc(C(C)(C)C)c2)CC1,ZJUUNKBOJSWDPL-UHFFFAOYSA-N
rxn:4:202306:224915,CCN1CCN(Cc2cc(-c3ccc(N4CCCCC4C)cc3C)cc(C(C)(C)C)c2)CC1,TVUDUTBEUZYPDR-UHFFFAOYSA-N
rxn:4:202306:225090,CCOCc1cc(OC)c(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)c(OC)c1,KVEDHYVMKMTWBU-UHFFFAOYSA-N
rxn:4:202306:225469,CCN1CCN(Cc2cc(-c3ccc(N4CCCC(C)C4)cc3)cc(C(C)(C)C)c2)CC1,HCGWOASONGOMCV-UHFFFAOYSA-N
rxn:4:202310:224597,O=S(=O)(c1ccc(-c2cc(C3CC3)cc(N3CCOCC3)c2)cc1)N1CCCSCC1CN1CCOCC1,DDNRVOSDLHSNQD-UHFFFAOYSA-N
rxn:4:202310:225165,COc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1N1CCOCC1,QOSKHMOOFIJPDH-UHFFFAOYSA-N
rxn:4:202328:227832,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)cc3C)CC2)CC1,XMKUXPKYPBWGFB-UHFFFAOYSA-N
rxn:4:202328:228490,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)F)c3)CC2)CC1,REWSZNWAINGOFX-UHFFFAOYSA-N
rxn:4:202330:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1,XWESTWSMYYXLDW-UHFFFAOYSA-N
rxn:4:202540:223489,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cccc2c1N1CCOCC1,AVDWOJRACTUSJN-UHFFFAOYSA-N
rxn:4:202564:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)CC1,GRSIWCWWJJRQRX-UHFFFAOYSA-N
rxn:4:202564:223932,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cc5c(Cl)cccc5n4C(=O)OC(C)(C)C)cc3C2=O)C1,DIDYPUDCLRLWJS-UHFFFAOYSA-N
rxn:4:202564:223939,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3C2=O)C1,OQOJZYTWGGEANP-UHFFFAOYSA-N
rxn:4:202648:222465,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ncccc2-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)C1,DSFSCSHPTBZSBF-UHFFFAOYSA-N
rxn:4:202656:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)cccc4s3)ccc2F)CC1,MRFMLDVMIUKVGO-UHFFFAOYSA-N
rxn:4:202697:224273,COc1ccc(N2C(=NC(=O)c3ccc(-c4cc5ncccc5n4C(=O)OC(C)(C)C)cc3)SC3CS(=O)(=O)CC32)cc1,CYUNBVFTDBEVGZ-UHFFFAOYSA-N
rxn:4:202700:223847,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(N4C(=O)CCC4=O)C5)cc3)cc2)CC1,LAFLWEVTMHXLKT-UHFFFAOYSA-N
rxn:4:202713:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C3=O)cc1,QSZXBWFGKSLMHX-UHFFFAOYSA-N
rxn:4:202714:223938,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cc5cc(Cl)ccc5n4C(=O)OC(C)(C)C)cc23)C1,MRIZTMQKIPOCIN-UHFFFAOYSA-N
rxn:4:202782:223959,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(Cl)c(C(=O)N5CCN(CC)CC5)c4)ccc2OC3c2ccco2)cc1,LZRDJQFNESCCPX-UHFFFAOYSA-N
rxn:4:202782:224203,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)N5CCCCC5)cc4OC)ccc2OC3c2ccco2)cc1,HDOKZFLKZPZVQA-UHFFFAOYSA-N
rxn:4:202944:223696,Cn1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(OCC(F)(F)F)n1,AQLBURCCWBUVCS-UHFFFAOYSA-N
rxn:4:202957:223606,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n1,IXNJSFJJSZWSDQ-UHFFFAOYSA-N
rxn:4:203003:223541,CCc1n[nH]c(C(=O)OC)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,FVQRPCQWGAVQRT-UHFFFAOYSA-N
rxn:4:203066:223500,Cn1cc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC(C)(F)F)n1,BXJOQVXYOBWSGL-UHFFFAOYSA-N
rxn:4:203564:223928,COC(=O)c1cnn(C2CCCCO2)c1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,OWKFUHOQXWNWQA-UHFFFAOYSA-N
rxn:4:203638:223695,O=S(=O)(NN1CCOCC1)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,WGDOGUAGGDZQGN-UHFFFAOYSA-N
rxn:4:203696:225993,COC(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1[N+](=O)[O-],ZFBOHNCKAYTLJM-UHFFFAOYSA-N
rxn:4:203709:225985,O=C(c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)o1)N1CCC(N2C(=O)COC2=O)C1,DOQYMEPKXQQUSC-UHFFFAOYSA-N
rxn:4:203726:224375,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cnc1N1CCCCC1,RIRQQAQUTOZZLU-UHFFFAOYSA-N
rxn:4:203757:222988,Cc1cc(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc(C2CCNCC2)n1,WHYVBRZBIBOGIC-UHFFFAOYSA-N
rxn:4:203771:223505,CCN=c1scc(-c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)n1CC,VMWMAZFSFOCYKY-UHFFFAOYSA-N
rxn:4:203833:226258,CCCOC(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1,DGIHZSMUNJKVNB-UHFFFAOYSA-N
rxn:4:203833:227526,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1Cl,CXDXGXKFRAKLGG-UHFFFAOYSA-N
rxn:4:203833:228300,CCOC(=O)c1ccsc1-c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)o1,QVXFXSFJSCMVIK-UHFFFAOYSA-N
rxn:4:203897:222465,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,YTFWEOCPOOFMST-UHFFFAOYSA-N
rxn:4:203907:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C(F)(F)F)cc2CN2CCN(C)CC2)CC1,BYGAPEHPODPVQI-UHFFFAOYSA-N
rxn:4:203907:224760,CN1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,WRTNGMYBEIMOBU-UHFFFAOYSA-N
rxn:4:203914:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc(C2CCCNC2)n1,AMPALMVFROGOKR-UHFFFAOYSA-N
rxn:4:203937:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)c1,CDQHZIOPNCXWME-UHFFFAOYSA-N
rxn:4:203939:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2)CC1,YPVOLNGKXNMCLY-UHFFFAOYSA-N
rxn:4:203939:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cccc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)c2)C1,JYJIOBOHVWGBMP-UHFFFAOYSA-N
rxn:4:203940:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccc3N3CCN(S(=O)(=O)C4CC4)CC3)cn2)CC1,NIFSAOLQETXMQY-UHFFFAOYSA-N
rxn:4:203977:224132,CN(C(=O)c1ccccc1-c1ccccc1C(=O)N1CCC(N2C(=O)CSC2=O)CC1)C1CCCCC1,DBMMURJVSRHGST-UHFFFAOYSA-N
rxn:4:203977:225926,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCC2)cc1)N1CCC(N2C(=O)CSC2=O)CC1,BJZUOUFUROBFLC-UHFFFAOYSA-N
rxn:4:203977:225943,O=C(c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)s1)N1CCOCC1,OWEVXVIEBSRAAT-UHFFFAOYSA-N
rxn:4:203985:224329,O=C1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)cc2F)CC1,KLRHFJFYOHQNSL-UHFFFAOYSA-N
rxn:4:203985:227592,COc1cc(F)cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1OC,HTLLYXIEKOCSDD-UHFFFAOYSA-N
rxn:4:203987:223362,C/C(=N\O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1,SFLOKTSDGRZVFJ-AFUMVMLFSA-N
rxn:4:204011:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)cc(C2CCCNC2)n1,NMZWFAUNJVBNIR-UHFFFAOYSA-N
rxn:4:204013:225294,CCN1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cn2)CC1,RKTQCHTUNOSYJU-UHFFFAOYSA-N
rxn:4:204082:223176,CS(=O)(=O)NCc1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,CHIXHHXMFHAEEM-UHFFFAOYSA-N
rxn:4:204082:225163,O=C(c1cccc(-c2ccccc2C(=O)N2CCOCC2)c1)N1CCC(N2C(=O)COCC2=O)CC1,TZOKPTWEPJXRAX-UHFFFAOYSA-N
rxn:4:204082:226542,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1F,WQDFAVDMFQKULG-UHFFFAOYSA-N
rxn:4:204082:226731,CN(C)S(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,USZKYGFQVQMOEP-UHFFFAOYSA-N
rxn:4:204082:227047,O=C(c1cccc(-c2cccc(SC3CCC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,JETDMVHRJLPBMW-UHFFFAOYSA-N
rxn:4:204082:227243,CC(=O)OCc1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,UNDSVDZAEXQACX-UHFFFAOYSA-N
rxn:4:204082:227657,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(N2C(=O)COCC2=O)CC1,WZNLRFHJCZSCKY-UHFFFAOYSA-N
rxn:4:204082:227680,O=C(c1cccc(-c2cccc3c2OC(F)(F)O3)c1)N1CCC(N2C(=O)COCC2=O)CC1,YUHVKXAOEWFECH-UHFFFAOYSA-N
rxn:4:204099:225533,CCN(CC)Cc1cc(F)cc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)c1,RZHJJHYMBBZMRP-UHFFFAOYSA-N
rxn:4:204102:224406,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2C)CC1,STNRRKPRHCDHJA-UHFFFAOYSA-N
rxn:4:204102:225165,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N4CCOCC4)c(OC)c3)cc2C)CC1,WZLRLJGVEOBEFL-UHFFFAOYSA-N
rxn:4:204109:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)CC1,GPCRWDQEOZCVHR-UHFFFAOYSA-N
rxn:4:204109:227332,CC(C)Oc1ccc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,YJTOOTLVKLMUCI-UHFFFAOYSA-N
rxn:4:204109:228154,COc1cccc(OC)c1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,IGZOBDDBTQJJFR-UHFFFAOYSA-N
rxn:4:204122:223993,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)nc2)cc1,SIFFURMWXCZOBN-UHFFFAOYSA-N
rxn:4:204140:224621,CN1CCN(Cc2cc(-c3ccc(OCCN4CCSCC4)cc3)cc(C(C)(C)C)c2)CC1,ZIIAMVXRORHNIT-UHFFFAOYSA-N
rxn:4:204168:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(CN2CCC(C)CC2)c(N2CCOCC2)c1,JMFHZNDAZFDLGO-UHFFFAOYSA-N
rxn:4:204351:223845,COC(=O)Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)n2c1COCC2,GURRYBXWEQDZBR-UHFFFAOYSA-N
rxn:4:204355:222584,CCOC(=O)c1nc(-c2ccc(OCCCN3CCNCC3)c(F)c2)n2c1COCC2,HEGCECAJWKKAAX-UHFFFAOYSA-N
rxn:4:204360:223606,CCOC(=O)c1nn2c(c1-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c1)OCC(F)(F)C2,ONCVMESOFOISIN-UHFFFAOYSA-N
rxn:4:204568:224406,O=C(Oc1c(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc(Cl)c2cccnc12)N1CCOCC1,IRPXDZQHRAQSOW-UHFFFAOYSA-N
rxn:4:204595:225220,CC1CCCCN1c1ncc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl,VRLMYWJVQBRJEN-UHFFFAOYSA-N
rxn:4:204606:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)CC1,UUXOBEFAGICJKG-UHFFFAOYSA-N
rxn:4:204682:225312,Cc1cc2c(c(-c3cnc(N4CCCN(C)CC4)nc3)n1)CN(C(=O)OC(C)(C)C)CC2,PBYBXZVUIKMUIW-UHFFFAOYSA-N
rxn:4:204710:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn2c1OC[C@@H](O[Si](C)(C)C(C)(C)C)C2,CQYXYKVCRFKSGF-KRWDZBQOSA-N
rxn:4:204780:226447,O=S(=O)(c1ccc(-c2ccnc(C3CCOCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,FPWAELPEPGADPO-UHFFFAOYSA-N
rxn:4:204780:227765,O=S(=O)(c1ccc(-c2ccn(CCC(F)(F)F)n2)cc1)N1CC(N2CC3CCCC3C2)C1,AGLMZAZUHKIHAB-UHFFFAOYSA-N
rxn:4:204943:223506,COc1cccc(C2c3c(oc4ccc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,BJEKKSNVTMSCAV-UHFFFAOYSA-N
rxn:4:205266:223695,Cc1nn(CC(F)(F)F)c(Cl)c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FRYNNKJENRIKIT-UHFFFAOYSA-N
rxn:4:206524:223993,Cc1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GAVKBWPIHVUFOJ-UHFFFAOYSA-N
rxn:4:206567:223646,CCc1nc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cn1C1CCCC1,GVYNGFFLPQDSGA-UHFFFAOYSA-N
rxn:4:206713:222584,CC(=O)N1CCOC(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,NKIVXEGEJRJDLW-UHFFFAOYSA-N
rxn:4:206747:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc([N+](=O)[O-])c3N3CCC(F)(F)CC3)cc2)CC1,GIDGBBSNSWIYSV-UHFFFAOYSA-N
rxn:4:206793:223696,NS(=O)(=O)c1ccc(N2CCOCC2)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,LMANAFNBCLSGER-UHFFFAOYSA-N
rxn:4:206959:224267,CS(=O)(=O)N1CCN(c2cccc(-c3cccc(N4CCC5(CC4)OCCO5)c3)c2)CC1,FOISDSQMYSPFFE-UHFFFAOYSA-N
rxn:4:207057:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,TZMUWKOKHQTRQF-UHFFFAOYSA-N
rxn:4:207067:224406,CC(C)(C)c1cc(C2CCOCC2)nc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1,KWGOYGABMIRNBB-UHFFFAOYSA-N
rxn:4:207081:225875,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(N4CCOCC4)cc3Cl)c1)C2,ZQQBYGIHFHXDPV-UHFFFAOYSA-N
rxn:4:207086:224129,Cc1cc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OJWOBHDQHBRGJX-UHFFFAOYSA-N
rxn:4:207279:223997,Cc1cc(-c2nc(C(F)(F)F)n3cc(C(F)(F)F)cc(Cl)c23)cc(C)c1S(=O)(=O)N1CCOCC1,VDJMJBINZYALKO-UHFFFAOYSA-N
rxn:4:207796:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1,HKAMBFJCTYPIHW-UHFFFAOYSA-N
rxn:4:208814:223506,Cc1cc(S(N)(=O)=O)cnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SUANYGILGZIOQX-UHFFFAOYSA-N
rxn:4:209256:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(N4C(=O)CCCC4=O)s3)c2)C1,CGWDTBGSOBWQBF-UHFFFAOYSA-N
rxn:4:209425:223588,Cc1cc(-c2cnn(C3CCOCC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,JVSZGKPEBLGZHI-UHFFFAOYSA-N
rxn:4:209799:222439,Cc1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc(C2CCOCC2)n1,QOWRUWODPIKGPG-UHFFFAOYSA-N
rxn:4:210459:223503,Cc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c2ccnc(C#N)c2c1Cl,GJDKZVWPFOUHQR-UHFFFAOYSA-N
rxn:4:210569:223533,CC12CC(n3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)(C1)C2,ZJGBGAGFPSDCDR-UHFFFAOYSA-N
rxn:4:210595:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nc2c(c(C(F)(F)F)n1)CCCC2,DESZCYJVCXGNTC-UHFFFAOYSA-N
rxn:4:211042:225361,CN1C(=O)CCC(N2Cc3c(cccc3-c3cn(C4CCCC4)nc3C(F)(F)F)C2=O)C1=O,GOHFOUZSLKXGEY-UHFFFAOYSA-N
rxn:4:211073:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O,WZCBEYGKLCBQNR-UHFFFAOYSA-N
rxn:4:211092:223480,Cc1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccn2)N(C)C4=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KEDQGFUTRCJNRH-UHFFFAOYSA-N
rxn:4:211098:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)ccc21,VIJPDGZPBACDKV-UHFFFAOYSA-N
rxn:4:212234:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CN=S4(C)=O)c(F)c2)CC1,CQTQHNZMRPTSMX-UHFFFAOYSA-N
rxn:4:212395:223489,CN1C(=O)CCc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cnc21,JCSPVCHCKFSJQD-UHFFFAOYSA-N
rxn:4:212405:223588,Cc1cc(-c2cnn3c2OCC2(CCC2)C3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,YAHLEMPDOUWNEZ-UHFFFAOYSA-N
rxn:4:212541:223637,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)n2)C1,CHJQMMAVUOMEOD-UHFFFAOYSA-N
rxn:4:212571:224278,Cn1cc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,KCDBALZZQVFBOQ-UHFFFAOYSA-N
rxn:4:212593:222802,Cc1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c(S(=O)(=O)NC(C)(C)C)c1,DMKPFXJAKLRBLP-UHFFFAOYSA-N
rxn:4:212605:223264,CNC(=O)c1cc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)ccc1F,OGJNOCICDPFIAW-UHFFFAOYSA-N
rxn:4:212605:223941,Cn1cc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,YMJMHHKDOSKJFJ-UHFFFAOYSA-N
rxn:4:212605:224720,Cn1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,OTFCEFQPILSFID-UHFFFAOYSA-N
rxn:4:212619:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(OCC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,DFBXOMSEZPZPBE-UHFFFAOYSA-N
rxn:4:212647:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)cc2)CC1,BQCIIJKRYFFATO-UHFFFAOYSA-N
rxn:4:212647:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc(CCC2CCCCN2C(=O)OC(C)(C)C)cn1,XOINQRAEMFGHHB-UHFFFAOYSA-N
rxn:4:212650:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,LOXPLPXLGPLSMN-UHFFFAOYSA-N
rxn:4:212650:227252,CCCOc1cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)ccc1Cl,XUHXFOTZJBCOQV-UHFFFAOYSA-N
rxn:4:212658:223888,COC(=O)c1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1N1CCN(C(=O)OC(C)(C)C)CC1,OIUUWQNQBLZNCK-UHFFFAOYSA-N
rxn:4:212675:223499,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],PALQFOQXMWQFHI-UHFFFAOYSA-N
rxn:4:212675:225210,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCC(C)CC3)nc2C)cc1[N+](=O)[O-],GZBYGPYCWHLMHX-UHFFFAOYSA-N
rxn:4:212675:228736,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C)nc2OC)cc1[N+](=O)[O-],HZYNFPRXIVCWMC-UHFFFAOYSA-N
rxn:4:212693:223938,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c1,DFYGXNBHRGKMES-UHFFFAOYSA-N
rxn:4:212693:226241,COC(=O)CCc1cccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,MQDSLBABVNTGGO-UHFFFAOYSA-N
rxn:4:212696:224277,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)ccnc21,PMBUJVNDCLFNMD-UHFFFAOYSA-N
rxn:4:212704:223880,Cc1ccc2c(c1)cc(-c1cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,CVPPMAQXDDRYQC-UHFFFAOYSA-N
rxn:4:212720:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,JRJIKYJQHFUSJY-UHFFFAOYSA-N
rxn:4:212731:224753,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCC6)ccc5C)cc4)C3)n2)c1,DXOLNPFXYZEIJI-UHFFFAOYSA-N
rxn:4:212742:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCCC4)c3)cc2)CC1,NERLPEIKMYWJAA-UHFFFAOYSA-N
rxn:4:212770:223175,CCOC(=O)c1nn2c(c1-c1cccc(NS(=O)(=O)CC)c1)CN(C(=O)OC(C)(C)C)CC2,NMWSRBMCHINXDB-UHFFFAOYSA-N
rxn:4:212791:228349,CCOC(=O)c1nn2c(c1-c1cnn(C3CCOC3)c1)CN(C(=O)OC(C)(C)C)CCC2,GTEYAWHKCGAPBP-UHFFFAOYSA-N
rxn:4:212816:222950,CONS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)ccc1OC,IOYWLCYXNNEHJL-UHFFFAOYSA-N
rxn:4:212816:223001,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)CC1,CSIQYFMKIQZKCA-UHFFFAOYSA-N
rxn:4:212822:223058,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc43)CC2)cc1,VTACAEQKZMWPCO-UHFFFAOYSA-N
rxn:4:212829:228090,CCOCc1cncc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c1,QJNBMNNPGWLYPC-UHFFFAOYSA-N
rxn:4:212905:223939,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)n2)C1,LUKYHTJLHSURKX-UHFFFAOYSA-N
rxn:4:212944:226021,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(Cl)ccc2OCC(F)(F)F)CC1,FOEAQESCESYOIQ-UHFFFAOYSA-N
rxn:4:212963:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(OC4CCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,KURCOPPXLZSBAB-UHFFFAOYSA-N
rxn:4:212963:223941,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)n2)C1,RNOFPOJBLQQUDG-UHFFFAOYSA-N
rxn:4:212966:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,KMVVUFUZICDNDW-UHFFFAOYSA-N
rxn:4:212966:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,GTVJVQSNIBAQIV-UHFFFAOYSA-N
rxn:4:212988:224371,COC(=O)C1CCN(c2ncc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cn2)CC1,YXRMOPGHJAXBQG-UHFFFAOYSA-N
rxn:4:213010:225438,CC(c1ccc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1)N1CCCC1,ABKPYVMGNVEIFZ-BVHINDKJSA-N
rxn:4:213010:227279,CC(C)n1nc(C2CC2)cc1-c1cnn(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1,BKTYPWLZMVJOPX-SFHVURJKSA-N
rxn:4:213013:225984,CCC(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,FGDUDRDORIWXQY-UHFFFAOYSA-N
rxn:4:213037:222916,CC(C)CCN1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,FUNYHQFWYDBQQM-UHFFFAOYSA-N
rxn:4:213041:223596,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,XXOYDZIHTIUULE-UHFFFAOYSA-N
rxn:4:213070:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,QSNFCWKZUBEODE-UHFFFAOYSA-N
rxn:4:213079:223505,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2)CC1,ZQLQLIDPXGFMOS-UHFFFAOYSA-N
rxn:4:213080:226538,CCOC(=O)c1cc(Cl)ccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RXKZUVIPMVTHPN-UHFFFAOYSA-N
rxn:4:213093:222426,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c(C#N)c2)CC1,KMKZDJPCOKKKRR-UHFFFAOYSA-N
rxn:4:213097:223166,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccc(N4CCNCC4)nc3)cn2)CC1,ITKFLMJDUGBSDX-UHFFFAOYSA-N
rxn:4:213132:223166,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCNCC4)nc3)cn2)C1,YQNQKHOAOVWHJO-UHFFFAOYSA-N
rxn:4:213135:222773,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NC4CCOCC4)cc3)cn2)CC1,YSFDCWYWUKGIHC-UHFFFAOYSA-N
rxn:4:213139:227573,CCOc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc(F)c1F,LHHYRQUNZQHXSE-UHFFFAOYSA-N
rxn:4:213160:223810,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cn2)CC1,JAJMIKMVJMRHEZ-UHFFFAOYSA-N
rxn:4:213191:223556,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)nc2)CC1,VEWGEFRJUSUVTA-UHFFFAOYSA-N
rxn:4:213220:228629,CC1CN(c2ccc(-c3ccc(C4CCC4)s3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,DLMJAJUUYRNAJW-UHFFFAOYSA-N
rxn:4:213257:226037,COc1c(C(F)(F)F)ccc(-c2c(C)nn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2C)c1F,QTQAFIBMOVINFJ-UHFFFAOYSA-N
rxn:4:213259:222886,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CCNCC4)cc3C#N)nc2)CC1(C)C,SUKQBYFAQHGDMI-UHFFFAOYSA-N
rxn:4:213320:227684,COC(=O)c1nc(-c2cnn(CC3OCCO3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,RXGFNMNIXGOAON-UHFFFAOYSA-N
rxn:4:213354:222802,Cc1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c(S(=O)(=O)NC(C)(C)C)c1,XNFKHMALFREGRD-UHFFFAOYSA-N
rxn:4:213428:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)c(F)c2)CC1,AVMWKOBVYDWMFD-XIFFEERXSA-N
rxn:4:213428:223931,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cc5ccc(Cl)cc5n4C(=O)OC(C)(C)C)ccc3c2)[nH]1,CZTXJDUPOWBHPY-NDEPHWFRSA-N
rxn:4:213476:226144,C[Si](C)(C)C#Cc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1,JJVMNQQWUBAOIC-JVTDUXEYSA-N
rxn:4:213476:227663,Cc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1C(F)(F)F,IHIPYTMIAYKRAU-HUJZWHOUSA-N
rxn:4:213476:229267,Cc1nc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)sc1C,PMPGVKGEIUEHOJ-WASJGJKXSA-N
rxn:4:213628:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccn(C4CN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,GARGEFUPJNACIN-UHFFFAOYSA-N
rxn:4:213632:223588,Cc1cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IPRZZJYJTSKXSB-UHFFFAOYSA-N
rxn:4:213765:224718,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,IGVARAWIGCIWBF-UHFFFAOYSA-N
rxn:4:213765:225898,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,GQOUCVVZORNZOS-UHFFFAOYSA-N
rxn:4:213766:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c(F)c2)CC1,MTNQRLSZNCHPTA-UHFFFAOYSA-N
rxn:4:213766:223888,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)co2)CC1,XKBBYTJQJHRJOP-UHFFFAOYSA-N
rxn:4:213767:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1,CNVQDJHUCHAKKQ-UHFFFAOYSA-N
rxn:4:213767:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1,HUUQSZOQYIMZAM-UHFFFAOYSA-N
rxn:4:213768:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OCC2CCCN(C3COC3)C2)nc1,NOFOFOIRFGAXTP-UHFFFAOYSA-N
rxn:4:213782:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)o3)cc2)CC1,DZWDINNTASNGDB-UHFFFAOYSA-N
rxn:4:213782:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)o3)cc2)CC1,YRMRHNQRKPJBAZ-UHFFFAOYSA-N
rxn:4:213782:224009,COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccncc4)CC3)o2)cc1S(=O)(=O)N1CCOCC1,PAKIFZDAYHNIIO-UHFFFAOYSA-N
rxn:4:213798:223818,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)C1,VOVREOFRBIHWDE-UHFFFAOYSA-N
rxn:4:213798:224276,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)C1,FJIGBODLIOFSSG-UHFFFAOYSA-N
rxn:4:213799:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ncn1,HDOAULFCNVVWLQ-UHFFFAOYSA-N
rxn:4:213800:225984,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(N3CCOCC3)c2)ncn1,LMHBPKKVKWKYTO-UHFFFAOYSA-N
rxn:4:213835:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccnn1C1CCN(C(=O)OC(C)(C)C)CC1,PKRHDZPRTAYDLA-UHFFFAOYSA-N
rxn:4:213865:224321,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)C1,JGYUCNFXGXHVAW-UHFFFAOYSA-N
rxn:4:213879:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,MLOGMTDRMCOFIA-UHFFFAOYSA-N
rxn:4:213879:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,SLGJRDUGYCTSHI-UHFFFAOYSA-N
rxn:4:213879:224414,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,NVOHWDLTWQUQOX-UHFFFAOYSA-N
rxn:4:213882:226743,CCc1cc(-c2cnn(CC3CN(CC4CCS(=O)(=O)CC4)C3)c2)cc(C(F)(F)F)n1,PROBZLCZTNBCCM-UHFFFAOYSA-N
rxn:4:213885:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1nccc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,NCWGTGBKEHLUOE-UHFFFAOYSA-N
rxn:4:213886:222802,Cc1ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(S(=O)(=O)NC(C)(C)C)c1,AYBZMOSKFSKAPS-UHFFFAOYSA-N
rxn:4:213888:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,NETUYAVLUQKOSX-UHFFFAOYSA-N
rxn:4:213893:226686,Cc1cnn(C2CCCCO2)c1-c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,OCFDWQCVSSHANQ-UHFFFAOYSA-N
rxn:4:213899:222729,CCCc1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC)cc(C2CCCNC2)n1,UAFBGBMRGSGUQA-UHFFFAOYSA-N
rxn:4:213900:225538,CC(C)COc1cccc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1C#N,PXKBEONBXGNPEH-UHFFFAOYSA-N
rxn:4:213940:223506,Cn1ncc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,JDCRCUYPQOALLX-UHFFFAOYSA-N
rxn:4:213940:225227,CC1CCN(c2ncc(-c3cnn(C)c3C3CCCN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,ZAUBIAVGGQAZFM-UHFFFAOYSA-N
rxn:4:213942:223575,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,FMYDKWHHMHZYMO-UHFFFAOYSA-N
rxn:4:213944:223659,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)[nH]1,LHNIVEFGPHEDJG-UHFFFAOYSA-N
rxn:4:213966:222389,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VEDSYHIYYNVZFZ-UHFFFAOYSA-N
rxn:4:213969:228623,O=C(c1ccc(-c2sccc2C2CCC2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,REWBIEVXQYXRSO-UHFFFAOYSA-N
rxn:4:213979:222812,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)nn1,BCOAORLPMFFSGQ-UHFFFAOYSA-N
rxn:4:213979:222929,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)nn1,VAWNHXUXHKQDLK-UHFFFAOYSA-N
rxn:4:213979:223637,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)nn1,QRUXVOKXMNCBBC-UHFFFAOYSA-N
rxn:4:213980:223671,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,FDTKELKTBRNDFD-UHFFFAOYSA-N
rxn:4:213982:224997,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(C(=O)N3CCCCC3)cc2)ncn1,QRHNUTGQOZHGLP-UHFFFAOYSA-N
rxn:4:213989:227386,c1nc(OCC2CCCN(C3CCOCC3)C2)ncc1-c1cnn(C2CCCCC2)c1,QYCZMVAGYWMDQN-UHFFFAOYSA-N
rxn:4:213996:223530,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,LAKOFFNVXOTACS-UHFFFAOYSA-N
rxn:4:213996:225975,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccnc(N2CCOCC2)c1Cl,CUMTYBCIFYUGHQ-UHFFFAOYSA-N
rxn:4:213999:223649,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,XJQGMWAUGQWVIA-UHFFFAOYSA-N
rxn:4:213999:226511,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(Cl)cnc2OCC2CC2)cn1,XCZSZRFRIFVEAR-UHFFFAOYSA-N
rxn:4:214005:224754,O=C(c1cccc(-c2ccccc2S(=O)(=O)N2CCCCC2)c1)N1CCN(C(=O)N2CCOCC2)CC1,FZLYLAJXYASLJR-UHFFFAOYSA-N
rxn:4:214005:225732,CCOC(=O)Cc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1F,BDVOSQASWFWNCW-UHFFFAOYSA-N
rxn:4:214008:224718,CC(C)c1sc(-c2ccc(OCCN3CCOCC3)nc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,SLRUGYZMPBWUMA-UHFFFAOYSA-N
rxn:4:214015:226543,CCCOc1ccc(F)c(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c1F,LMYXVJFQBXCYLR-UHFFFAOYSA-N
rxn:4:214017:223636,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)cc3)CC2)n1,FBLJCPXTNUDKFM-UHFFFAOYSA-N
rxn:4:214034:224008,O=C(c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)cc([N+](=O)[O-])c1)N1CCOCC1,MTMXSKDGOYMOLU-UHFFFAOYSA-N
rxn:4:214034:227679,O=C(c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1)N1CCN(C(=O)N2CCCCC2)CC1,NQCYNZUMAHDCCT-UHFFFAOYSA-N
rxn:4:214044:222540,O=C(NCCN1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cccc(F)c5)no4)C3)cc2)c1,MNBPLLQTYRXOTM-UHFFFAOYSA-N
rxn:4:214047:224161,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,AREWFQWYQLIVAY-UHFFFAOYSA-N
rxn:4:214047:224279,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc2c(c1)ncn2C(=O)OC(C)(C)C,FKPURTMRWGLLIA-UHFFFAOYSA-N
rxn:4:214047:225876,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(Cl)ccc1N1CCOCC1,OZRLIEMLEFRJHY-UHFFFAOYSA-N
rxn:4:214048:222426,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,TXWQIECCSURGFK-UHFFFAOYSA-N
rxn:4:214050:223502,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1F,RWUAUYNCIIOFJY-RTWAWAEBSA-N
rxn:4:214050:223530,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,IHVQXAABQHGAKJ-YADHBBJMSA-N
rxn:4:214054:228451,Cc1c(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)ccc2nnnn12,PNLKLJRTJZGUIP-UHFFFAOYSA-N
rxn:4:214065:223810,Cc1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MHTVFVBZPZEOJO-UHFFFAOYSA-N
rxn:4:214074:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)cc(C2CCCNC2)n1,FLNSGZIDOXRHPJ-UHFFFAOYSA-N
rxn:4:214086:226778,COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)c(F)c(F)c1OC,BVCOATYQJOGIBW-UHFFFAOYSA-N
rxn:4:214086:228249,COc1c(C)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)cc1Cl,RHURYEDHRNMFTB-UHFFFAOYSA-N
rxn:4:214086:228402,COc1c(Cl)ccc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)c1F,XRCRVJWWHFQCHT-UHFFFAOYSA-N
rxn:4:214094:223695,CCOC(=O)c1nc2cc(C(F)(F)F)c(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2n1,VMOPVCHYISWXLO-UHFFFAOYSA-N
rxn:4:214135:222946,CCN(CC)S(=O)(=O)c1c(-c2cnc(N3CCCCC3O)nc2Cl)nc2n1CCOC2,IHHAKQAJQRLMKF-UHFFFAOYSA-N
rxn:4:214146:227584,COc1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc(OC)c1Cl,NUNZJBUMUNRVNE-UHFFFAOYSA-N
rxn:4:214146:227681,COC(Cn1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)cn1)OC,NPYCRWSGCWKLCN-UHFFFAOYSA-N
rxn:4:214179:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)cc2)CC1,PZEUSTJOSPRYJI-UHFFFAOYSA-N
rxn:4:214185:228340,COc1nc(C2CC2)sc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,BWDGQPFKZHPLJD-UHFFFAOYSA-N
rxn:4:214185:228371,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc(F)c(C#N)c3F)c2C1,AZBVKTPBQRKZPU-UHFFFAOYSA-N
rxn:4:214230:223576,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc23)CC1,ZEBOGAHXXZCGQS-UHFFFAOYSA-N
rxn:4:214230:223776,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cnc23)CC1,PTDGPESNHLDINA-UHFFFAOYSA-N
rxn:4:214251:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cn4c(=O)n(Cc5ccc(F)cc5)c(=O)c5ncccc54)cc3)cc2)CC1,CREJNGJTTOZQMY-UHFFFAOYSA-N
rxn:4:214274:224279,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)cccc32)CC1,DOBHLDGESAMJHW-UHFFFAOYSA-N
rxn:4:214275:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,QOCPJRHBQWMHKG-UHFFFAOYSA-N
rxn:4:214275:225947,CN1CCN(c2ncc(-c3ccc4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,GDCVTGQQFRFTFH-UHFFFAOYSA-N
rxn:4:214277:223939,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc32)CC1,YFUCSQUQXMMOQW-UHFFFAOYSA-N
rxn:4:214287:223835,Cc1cc(F)c(-c2cccnc2OC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1S(=O)(=O)N1CCC(C)CC1,GGYJRVQPFWRMKC-UHFFFAOYSA-N
rxn:4:214304:226718,COc1nc(OC)c(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1SC,UUGUZSBBVSAMLO-UHFFFAOYSA-N
rxn:4:214321:224604,Cc1nc2cc(-c3ccc4c(c3)ncn4C3CCCN(C(=O)OC(C)(C)C)CC3)c(F)cc2n1C(C)(C)C,FOVBASSRFNLSQP-UHFFFAOYSA-N
rxn:4:214347:225877,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(-c3ccc(Cl)cc3N3CCOCC3)ccc21,ZIFCJPXWCSIWPK-UHFFFAOYSA-N
rxn:4:214632:224081,COC(=O)C1CCN(c2ncc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cn2)CC1,DDBITOCDBDZULE-UHFFFAOYSA-N
rxn:4:214696:224834,CN(C)S(=O)(=O)n1cc(-c2cnn(CC3CN(C4CCCC4)C3)c2)c(C(F)(F)F)n1,UJZQLGJAJFBWMK-UHFFFAOYSA-N
rxn:4:214761:223602,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2F)C1,LNSJHCDLFRFLNY-UHFFFAOYSA-N
rxn:4:214802:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)CC1,XTJLHSVQHVTRAE-RSSXGHEXSA-N
rxn:4:214819:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,GCHPGQPUSZEHQL-UHFFFAOYSA-N
rxn:4:214820:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,VRCSCXUBTIGMQY-UHFFFAOYSA-N
rxn:4:214838:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2Cl)CC1,DQLFGQDKFAFGNB-UHFFFAOYSA-N
rxn:4:214838:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,RPIFUERDJIBETJ-UHFFFAOYSA-N
rxn:4:214862:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,HWXMQWXKYVKSHM-UHFFFAOYSA-N
rxn:4:214862:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,AANFRQXHKICMLI-UHFFFAOYSA-N
rxn:4:214871:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,OTRRMCDQPVJEDZ-UHFFFAOYSA-N
rxn:4:214871:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)cc2F)CC1,JPUMPMJRCYCMNT-UHFFFAOYSA-N
rxn:4:214872:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,SQUHYTSFGQXEJC-UHFFFAOYSA-N
rxn:4:214872:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,BCXHIRLKLMXBAC-UHFFFAOYSA-N
rxn:4:214872:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1,YEGOVGILBCRHSP-UHFFFAOYSA-N
rxn:4:215016:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,MKTQNWCGXVPBAX-UHFFFAOYSA-N
rxn:4:215058:224830,CC(C)(C)OC(=O)N1CCn2c(-c3cc(C(F)(F)F)nn3C3CCCCO3)cnc2C1,LBICMSRIIOSFOK-UHFFFAOYSA-N
rxn:4:215065:223581,COC(=O)c1cccc2cc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c12,AJRCHWHMAXOQKE-UHFFFAOYSA-N
rxn:4:215081:224371,COC(=O)c1nn(C2CCCCO2)c2ncc(-c3cnc(N4CCC(C(=O)OC)CC4)nc3)cc12,WUSRWLJPSUMCMO-UHFFFAOYSA-N
rxn:4:215096:224624,CC1c2cnc(-c3cc(Cl)ccc3C(=O)OCC(C)(C)C)n2CCN1C(=O)OC(C)(C)C,NNFOMBMRGLMLJB-UHFFFAOYSA-N
rxn:4:215100:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cnc1Cl,HGRNTIWSZXQSFA-UHFFFAOYSA-N
rxn:4:215100:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)c2)CC1,TVDYUVRZMYLEEU-UHFFFAOYSA-N
rxn:4:215101:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)c2)CC1,FZYPTHIRDFUHBS-UHFFFAOYSA-N
rxn:4:215101:225231,CC1CCCCN1c1cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cnc1Cl,AXBUPFUMXVDNOM-UHFFFAOYSA-N
rxn:4:215102:225990,CCCCn1nc(C(F)(F)F)cc1-c1cn2c(n1)CCN(C(=O)OC(C)(C)C)CC2,HFRFAYPIWQAWQC-UHFFFAOYSA-N
rxn:4:215104:223883,CC(C)(C)OC(=O)N1CCc2c(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ncn2CC1,QJICCKWKDSBDQN-UHFFFAOYSA-N
rxn:4:215108:225361,Cn1nc2c(c1-c1cn(C3CCCC3)nc1C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2,YWUCVSLZUAHBAM-UHFFFAOYSA-N
rxn:4:215214:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4n3CC3(COCCN(C(=O)OC(C)(C)C)C3)C4)c2)CC1,YFEXSNJEZGOKTI-UHFFFAOYSA-N
rxn:4:215216:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)CC1,OGZRWUXKGXVOSX-UHFFFAOYSA-N
rxn:4:215708:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,HODAHMSTPVJTPA-UHFFFAOYSA-N
rxn:4:215721:223699,Cc1n[nH]c(C(=O)N2CCCC2)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,HMPTVRNMVUWALJ-UHFFFAOYSA-N
rxn:4:215781:222439,Cc1n[nH]c(CN2CCOCC2)c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,QDGYKUBWMAMQSR-UHFFFAOYSA-N
rxn:4:215817:223928,Cn1ncc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1C(=O)N1CCCCC1,HGRAHTNWKCRBLW-UHFFFAOYSA-N
rxn:4:215851:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C4CC4)cc(N4CCOCC4)n3)cc2)CC1,LAVIMWCSRJRMHV-UHFFFAOYSA-N
rxn:4:215898:224401,CS(=O)(=O)N1CCC(c2cnc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)cn2)CC1,OZMNJVUNFIZCSU-UHFFFAOYSA-N
rxn:4:215965:223501,CC1CCN(c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nc(C3CC3)n2)CC1,WRFNIEWPWNHFRW-UHFFFAOYSA-N
rxn:4:215970:224835,CSc1ncc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c(N2CCC3(CC2)OCCO3)n1,JPLCGAZGRWSHBS-UHFFFAOYSA-N
rxn:4:215978:224283,CC1CCN(c2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)nc(C(C)C)n2)CC1,MKTQMHSKESQAMF-UHFFFAOYSA-N
rxn:4:215978:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(N2CCC(C)CC2)nc(C(C)C)n1,CKBKTLVPSGAVTN-UHFFFAOYSA-N
rxn:4:215985:223847,CCCCCC1CCC(c2ccc(-c3ccc(N4C(=O)CC(N5CCN(C)CC5)C4=O)cc3)cc2)CC1,CBDRPADAJKFIDU-UHFFFAOYSA-N
rxn:4:216169:223606,COc1c(C(C)C)c(C)nc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cnn12,RJZKFRCFIYTYQU-UHFFFAOYSA-N
rxn:4:216252:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)c(F)cc2C)CC1,SSJNMBGXMQYPDK-UHFFFAOYSA-N
rxn:4:216252:224375,CC(=O)N1CCc2c(c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)nn2C2CCOCC2)C1,LVRZOVPWVRMJMF-UHFFFAOYSA-N
rxn:4:216252:225455,CC(=O)N1CCc2c(c(-c3cc(N4CCCCC4)ccc3C)nn2C2CCOCC2)C1,SRMMZRPJKSPDED-UHFFFAOYSA-N
rxn:4:216252:225625,CC(=O)N1CCc2c(c(-c3cc(OC4CCCC4)ccc3F)nn2C2CCOCC2)C1,SPAZZFNZEBNOCC-UHFFFAOYSA-N
rxn:4:216252:226010,COc1ccc(OC(F)(F)F)cc1-c1nn(C2CCOCC2)c2c1CN(C(C)=O)CC2,MRCCRZSCXZVWQY-UHFFFAOYSA-N
rxn:4:216356:225051,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(F)cc(N5CCCC(C)C5)c4)ccc2OC32CCN(C)CC2)cc1,VBPQUQMRLUJUEZ-UHFFFAOYSA-N
rxn:4:216596:223482,Cn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C1CC1,VKLXVUKPNROANF-UHFFFAOYSA-N
rxn:4:216913:222426,Cc1nnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)n1C1CCC1,ZGQGOCXBIZBASI-UHFFFAOYSA-N
rxn:4:217024:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ncn(C3CCCCO3)n2)CC1,ISKFEWPELOJXEP-UHFFFAOYSA-N
rxn:4:217146:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3nc(C)cc(N4CCOCC4)n3)cc2C)CC1,PHMWEGOWLVANEA-UHFFFAOYSA-N
rxn:4:217860:223813,CC(C)N1CCc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)nn2CC1=O,YRHQBWZODIWDGG-UHFFFAOYSA-N
rxn:4:217898:223671,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)CCCC3,GPPPLCMBYVMGPT-UHFFFAOYSA-N
rxn:4:218516:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnc4n3CCCCC4)cc2[N+](=O)[O-])CC1,CJHIDUKGTXJJJO-UHFFFAOYSA-N
rxn:4:218518:223505,CN1CCn2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2C1,RZKNWIIFSSELMI-UHFFFAOYSA-N
rxn:4:218578:223777,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,WPKBIBFSKWPZQL-UHFFFAOYSA-N
rxn:4:218629:225172,Cc1noc(C)c1CC(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,KKNMEWICYPFXTL-UHFFFAOYSA-N
rxn:4:218652:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,FFWADEGLIBEWIH-UHFFFAOYSA-N
rxn:4:218652:226486,COC(=O)COc1ccc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,JSXWTCUIAOLSFW-UHFFFAOYSA-N
rxn:4:218655:224268,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cn2)CC1,FMAZFNYTPXEMQQ-UHFFFAOYSA-N
rxn:4:218655:225875,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,BCASXKWGOBLRFQ-UHFFFAOYSA-N
rxn:4:218663:225975,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)CC2)cc1,QQRYBJVPOCGDSR-UHFFFAOYSA-N
rxn:4:218706:227677,Cc1ccc(C(F)(F)F)c(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)c1,VNRQHVSUZIENMV-UHFFFAOYSA-N
rxn:4:218709:225952,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCOCC6)nc5C)cc4)n[nH]3)CC2)c1,MXAIZJQFKVGWMP-UHFFFAOYSA-N
rxn:4:218764:223699,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc(-c1ccc(S(=O)(=O)N3CCOCC3)cc1C(F)(F)F)n2Cc1ccccc1Cl,VPPWZZTWPWXWTC-UHFFFAOYSA-N
rxn:4:218778:223106,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(N5CCC(O)C5)nc4Cl)cc(Cl)cc32)cc(C)c1F,BHMXEIWCZJSOBJ-UHFFFAOYSA-N
rxn:4:218888:223812,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NAMRPKQDGMXYGZ-UHFFFAOYSA-N
rxn:4:218943:223592,CN(c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1)C1CCN(C(=O)OC(C)(C)C)C1,UINRBUBYIBNFGZ-UHFFFAOYSA-N
rxn:4:218944:225711,COC(COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1)OC,JXNAWUPAPZUTMG-UHFFFAOYSA-N
rxn:4:218971:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)cc2)CC1,VPIGIVHZZCIWNA-DUYHBEBVSA-N
rxn:4:218993:223532,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,AYWXCNHPTDEYKG-UHFFFAOYSA-N
rxn:4:219033:222803,O=C(Cc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,HWBDACZAJGPDKX-UHFFFAOYSA-N
rxn:4:219051:222998,CN(c1cnc(-c2cc(F)cc(C3CCCNC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,RUQHHZPZKNECMJ-UHFFFAOYSA-N
rxn:4:219051:226413,CN(c1cnc(-c2cccc(N3CCOCC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,PULDLJRHTFATGV-UHFFFAOYSA-N
rxn:4:219051:228020,CN(c1cnc(-c2c(F)cccc2C2CC2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,QTFDUXWQPLPVFS-UHFFFAOYSA-N
rxn:4:219053:224352,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)c3)cn2)CC1,ABEFRFAILKKALM-UHFFFAOYSA-N
rxn:4:219207:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2csc(N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)n2)cc1,RRKKSLKWRLSHFO-UHFFFAOYSA-N
rxn:4:219243:224394,Cc1ccc(-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1S(=O)(=O)N1CCOCC1,BPLKUMGNLUMNET-UHFFFAOYSA-N
rxn:4:219369:225192,Cn1c(-c2cc(OC3CCCCC3)ncc2F)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,VURYVPCHYUBISO-GOSISDBHSA-N
rxn:4:219370:226714,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccnn3C(=O)OC(C)(C)C)n2)C1,IFTOOUUMYQRGHM-UHFFFAOYSA-N
rxn:4:219383:223728,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c(F)c2)CC1,YVFUETSZHHYCJT-UHFFFAOYSA-N
rxn:4:219383:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,KMRVPYSOUCPZSC-UHFFFAOYSA-N
rxn:4:219384:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)CC1,ASLHDVWWQFPXRX-UHFFFAOYSA-N
rxn:4:219406:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)ccn2)CC1,KQRMHYVYWYBINX-UHFFFAOYSA-N
rxn:4:219453:225215,CC1CCN(c2nccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)c2Cl)CC1,FLPNVVJEBUGUQH-UHFFFAOYSA-N
rxn:4:219453:226446,Cc1nc(C2CCOC2)ccc1-c1cnn(CC2CN(C3CCN(C(C)C)C3=O)C2)c1,YGCXSTBKNMMNEM-UHFFFAOYSA-N
rxn:4:219455:227103,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2sccc2C2CCCCC2)n[nH]1,ARAZIPZLBBCZQF-UHFFFAOYSA-N
rxn:4:219456:224355,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1,ASKSYKDDHSXFFG-UHFFFAOYSA-N
rxn:4:219456:225829,CC1CCN(c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cn2)CC1,ASOHWSGTONGEFG-UHFFFAOYSA-N
rxn:4:219456:227449,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(C3CCOCC3)s2)n1,KGMNFDZODDFFFG-UHFFFAOYSA-N
rxn:4:219457:224953,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2ccc(OCC3CCCCC3)nc2)nn1,CHUPOZIPOSDNEB-UHFFFAOYSA-N
rxn:4:219464:223507,Cc1cccnc1OCC1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,QIDHIILJYBWRAD-UHFFFAOYSA-N
rxn:4:219468:222546,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NZQVCSMBZXZSSB-UHFFFAOYSA-N
rxn:4:219469:227792,CSc1ncc(-c2ccnc(C(F)(F)F)c2F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,WDSZTLUJRIGUCA-UHFFFAOYSA-N
rxn:4:219473:225733,CCCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c(F)cc1F,PRYUCIYWAWGYCW-UHFFFAOYSA-N
rxn:4:219488:226612,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(N3CCCCC3)nc2)cn1,FHTXPBLEWQRXLW-KRWDZBQOSA-N
rxn:4:219501:227249,CCCOc1ccc(Cl)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,IXVWWDPUOREITA-UHFFFAOYSA-N
rxn:4:219508:223506,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)cc(C(F)(F)F)n1,QOYYYGNNMIFXQT-UHFFFAOYSA-N
rxn:4:219508:224379,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccccc3S(=O)(=O)N3CCN(C)CC3)CC2)cc(C(F)(F)F)n1,LMIDPHOQCSHOFY-UHFFFAOYSA-N
rxn:4:219539:222813,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)CC1,ATNRBOXBGOKVBY-UHFFFAOYSA-N
rxn:4:219539:223774,COc1cccc2c1cc(-c1ccccc1C(=O)N1CCN(c3cc(C4CC4)nn3C)CC1)n2C(=O)OC(C)(C)C,DRYOEDIALTVHSG-UHFFFAOYSA-N
rxn:4:219551:227376,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cncc(N5CCCC5)c4)cn3)CC2)C1=O,YHAUQPZNRMCMTB-UHFFFAOYSA-N
rxn:4:219551:228876,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnn(C5CC5F)c4)cn3)CC2)C1=O,JXLJDQLKBUSIHV-UHFFFAOYSA-N
rxn:4:219551:228877,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnn4C4CC4F)cn3)CC2)C1=O,KOVWGZBFMPMZPB-UHFFFAOYSA-N
rxn:4:219552:229158,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ncnn1C(C)C,VACGDCQNGCGZQW-UHFFFAOYSA-N
rxn:4:219639:222886,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4C#N)cn3n2)C1,IIBAEVYGDHSVPQ-UHFFFAOYSA-N
rxn:4:219654:224759,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc23)CC1,KBFUUKLDYZRIOE-UHFFFAOYSA-N
rxn:4:219688:223500,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3n2)CC1,CWECDAKVMXSYDY-UHFFFAOYSA-N
rxn:4:219704:224718,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3n2)CC1,ODBTZOQCOLHQBX-UHFFFAOYSA-N
rxn:4:219710:223602,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)c(C)c4)C3C2=O)c1,DQKZWZOZQDXGBK-UHFFFAOYSA-N
rxn:4:219750:226180,COc1ccc(-c2cc(C)nc(C3CCCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,VOJCLAUTELOVFK-UHFFFAOYSA-N
rxn:4:219769:225877,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,AKNYJLXPOQBMOY-UHFFFAOYSA-N
rxn:4:219778:224718,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GVKNJDHHVOTUBP-UHFFFAOYSA-N
rxn:4:219780:228457,COC(=O)c1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1,NUFKVCXLMGBXIX-UHFFFAOYSA-N
rxn:4:219880:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(SC)nc3N3CCN(S(C)(=O)=O)CC3)c2)CC1,WWUKJNDNADYFRS-UHFFFAOYSA-N
rxn:4:219955:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1Cl,JOBYCCVZJBFCKJ-UHFFFAOYSA-N
rxn:4:219959:222719,O=C(C1CN(c2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cn2)CCO1)N1CCOCC1,ILSFFWNSQHEQQS-UHFFFAOYSA-N
rxn:4:219988:224956,CC(C)(C)[Si](C)(C)Oc1cccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,SDPFMXWQVNHZNA-UHFFFAOYSA-N
rxn:4:220038:224405,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)C1,OHJRISMYWKRTLQ-UHFFFAOYSA-N
rxn:4:220039:224781,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)n2C1,IBCJEZBJFGVORG-UHFFFAOYSA-N
rxn:4:220041:223490,Cc1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KGCBOEZYMIAQQV-UHFFFAOYSA-N
rxn:4:220069:224396,Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)ccc1S(=O)(=O)N1CCOCC1,IWJGXDYYRVOMNK-UHFFFAOYSA-N
rxn:4:220149:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cc2)CC1,LFOFZSUJQAFCAO-UHFFFAOYSA-N
rxn:4:220165:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCC(c4nnc5ccccn45)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,PXSHDCDKFKXADK-UHFFFAOYSA-N
rxn:4:220204:225533,CCN(CC)Cc1cc(F)cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)c1,CLFDOLNMRATPAU-UHFFFAOYSA-N
rxn:4:220221:225977,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,VEIGTZNPGPAKOI-UHFFFAOYSA-N
rxn:4:220222:223945,Cc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,KHXKKXYNINEKGG-UHFFFAOYSA-N
rxn:4:220226:222584,O=C(C1CCCN(c2ncc3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3n2)C1)N1CCOCC1,CIQPNPMXRPASKF-UHFFFAOYSA-N
rxn:4:220356:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2nc([N+](=O)[O-])nn2C2CCCCC2)CC1,NLHSZOHDMWHLCS-UHFFFAOYSA-N
rxn:4:220464:222524,O=C(C1CCC1)N1CCn2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)nc2C1,IHYVUZIINNFSSB-UHFFFAOYSA-N
rxn:4:220491:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc4n(n3)CCN(C(=O)C(C)(C)C)C4)c(F)c2)CC1,FVIXVOVDZKGTTN-MXVIHJGJSA-N
rxn:4:220806:223505,Cn1nc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1N1CCOCC1,BRTWKIVXXPANQK-UHFFFAOYSA-N
rxn:4:221098:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1C,NYYVYYWCXLKQIY-UHFFFAOYSA-N
rxn:4:221108:223812,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)c(=O)c1C,DUDICJJFCNNEPE-UHFFFAOYSA-N
rxn:4:221152:223945,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HQHCNZCCFAYBKV-UHFFFAOYSA-N
rxn:4:221152:224592,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,ZLVDLXQOODJCTQ-UHFFFAOYSA-N
rxn:4:221165:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)C3)nc2)C1,ZJMQDUMEZICZOA-UHFFFAOYSA-N
rxn:4:221173:224718,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,SKWFNMRLRDAYPE-UHFFFAOYSA-N
rxn:4:221177:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,WEHGWFCCQINDBB-UHFFFAOYSA-N
rxn:4:221180:223945,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1C,KKXAUFPVVASEKZ-UHFFFAOYSA-N
rxn:4:221186:224397,CN(CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cn2)CC1)c1cc(C(F)(F)F)ccn1,YWRJIQHHOGAYKG-UHFFFAOYSA-N
rxn:4:221198:222721,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cn3)CC2)nn1,HEARFLKRCSPUGT-UHFFFAOYSA-N
rxn:4:221203:222956,Cc1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c(C2CCCNC2)c1,MZZWGLBISYJUED-UHFFFAOYSA-N
rxn:4:221205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)c2Cl)CC1,YKXSVDUNHRDHCT-UHFFFAOYSA-N
rxn:4:221245:222634,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)nn2c1C,JFHHRZVZJZDMEN-UHFFFAOYSA-N
rxn:4:221245:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)cc2)CC1,AUZAKLXWWBYBGH-UNWRIRMBSA-N
rxn:4:221340:223959,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(c5nnc(C)s5)C4)nc3)ccc2Cl)CC1,BCMWJMLUVXABCL-UHFFFAOYSA-N
rxn:4:221358:223997,Cc1cc(N2CC(Cn3cc(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)C2)nc(C2CC2)n1,KTLILPNKUGUIEG-UHFFFAOYSA-N
rxn:4:221363:223992,Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cn3)C2)n1,CEDBSIPBVQXYMX-UHFFFAOYSA-N
rxn:4:221394:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,BKCCWMZXBCAWAR-UHFFFAOYSA-N
rxn:4:221413:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)N5CCN(c6cc(N7CCOCC7)ncn6)CC5)o4)c3C(=O)C1C2(C)C,ZUIIXINHAUMXRU-UHFFFAOYSA-N
rxn:4:221421:222537,O=C(c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,RBNDQYMWAVHSGS-UHFFFAOYSA-N
rxn:4:221421:225975,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2Cl)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,WITDPSALEWJOMA-UHFFFAOYSA-N
rxn:4:221428:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,RWRVOCCWSRHGBI-UHFFFAOYSA-N
rxn:4:221431:223139,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C4CCNCC4)nc3)CC2)n1,SQZKQRUQAZELCD-UHFFFAOYSA-N
rxn:4:221431:225980,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(N4CCOCC4)ncc3F)CC2)n1,CQFHFVZMWIEUNJ-UHFFFAOYSA-N
rxn:4:221433:224393,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3)CC2)n1,LKMDAHKWCFOHTR-UHFFFAOYSA-N
rxn:4:221442:222466,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)CC2)n1,TUHOVPSDXXDOAA-UHFFFAOYSA-N
rxn:4:221442:225977,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(Cl)cnc3N3CCOCC3)CC2)n1,FFZSGTOJJZPHKA-UHFFFAOYSA-N
rxn:4:221445:224759,Cc1cc(N2CCN(Cc3cccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CC2)nc(N2CCOCC2)n1,MRLOFKKWAIVXNJ-UHFFFAOYSA-N
rxn:4:221446:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,SQFSJOIWWDCWBQ-UHFFFAOYSA-N
rxn:4:221498:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c23)CC1,HLLCMPPZGGPGEX-UHFFFAOYSA-N
rxn:4:221596:223651,COCn1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)nc1N1CCN(C)CC1,IIIPAMOZONMQBN-UHFFFAOYSA-N
rxn:4:221607:223528,Cc1ccc(=O)n(CC2CN(c3ncc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,POIFUORGLSTKHM-UHFFFAOYSA-N
rxn:4:221730:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(Cn5c(C)nc6cc(F)ccc6c5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,DYSCGGOOVZVRHR-UHFFFAOYSA-N
rxn:4:221745:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCCCCC4)c4sccc45)cc3)cc2C1,IKWBMNQRUPTOGA-UHFFFAOYSA-N
rxn:4:221749:223671,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c(=O)n(C)c3nc2n1C(C)C,GEAZSGQSSDTJKI-UHFFFAOYSA-N
rxn:4:221952:223847,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)cc2)CC1,QQMZMCRXYMHEDD-UHFFFAOYSA-N
rxn:4:221980:225975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5Cl)c4)sc3n2)CC1,LNJMXGFNKGXCGA-UHFFFAOYSA-N
rxn:4:222056:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2C1,QNTVOLYWBOEDQN-UHFFFAOYSA-N
rxn:4:222155:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)ccc2F)CC1,UIJKJNBOQWGRCK-UHFFFAOYSA-N
rxn:4:222156:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cc2C1,IAJAYBXSFVEHLC-UHFFFAOYSA-N
rxn:4:222364:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2C1,MZXBFVJLCBWDFM-UHFFFAOYSA-N
rxn:4:222367:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,SAWGBXBXDFNKBY-UHFFFAOYSA-N
rxn:4:222394:178564,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3oc(=O)c(C(=O)OC4CCCCC4)cc3c2)cc1,LIQZIZIEEVXDKU-YHBQERECSA-N
rxn:4:222394:189217,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2c(F)cccc2C(=O)ON2C(=O)CCC2=O)cc1,FAHDWOZXCRLFSN-QAQDUYKDSA-N
rxn:4:222394:194375,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1,NPGLNCOMLTYJPT-MXVIHJGJSA-N
rxn:4:222511:204351,COC(=O)Cc1nc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)n2c1COCC2,KPXJIYWWAXBHKK-UHFFFAOYSA-N
rxn:4:223083:189973,Cc1nc(N2CCC(O)C2)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,UORTWYIDASDFOS-UHFFFAOYSA-N
rxn:4:223540:195120,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1sc(C)nc1C(F)(F)F,XLAHBANMEXKSFH-UHFFFAOYSA-N
rxn:4:223541:208513,Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)nc(C(=O)[O-])n1C,FYYNIKQLPCVBAX-UHFFFAOYSA-M
rxn:4:223670:217898,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1)CCCC3,BWOYSVMOVWQAIC-UHFFFAOYSA-N
rxn:5:176861:225514:226836,COC(=O)c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c(-c2cccc3c2OCC2(CC2)CO3)c1OC,DUDQHHNYLXFGRT-UHFFFAOYSA-N
rxn:5:176862:225976:226837,COC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,AMXLAVGKTPJWLO-UHFFFAOYSA-N
rxn:5:176864:225937:226837,COC(=O)c1cc(-c2cc(C(F)(F)F)ncc2C(C)C)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,WXSCWQINTCGKPP-UHFFFAOYSA-N
rxn:5:177373:225810:225407,COc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2OCC2OCCO2)c(C2OCCO2)c1,OWWYETSZHALHPS-UHFFFAOYSA-N
rxn:5:177446:225654:223058,COc1c(OC(C)C)cc(-c2ccc(N3CCCC(C)C3)nc2)cc1-c1cc(F)nc(C2CCCNC2)c1,AGAJYZLLBYIBEI-UHFFFAOYSA-N
rxn:5:177448:225435:225592,COc1ccc(-c2ccccc2CN2CCCCC2)c(OC(C)C)c1-c1cc(F)ccc1CN1CCCC1,LYPRLAOLGLLYEM-UHFFFAOYSA-N
rxn:5:177731:226742:225671,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1-c1ccc(C#N)cc1C(F)(F)F,NBMZHNYLVQDRKA-UHFFFAOYSA-N
rxn:5:177733:226794:223064,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccc(C3CCNCC3)nc2F)c1,XCEGWRUXXANSHA-UHFFFAOYSA-N
rxn:5:177736:225641:222995,CC1CCCN(c2cc(-c3cc(C(=O)OC(C)(C)C)ccc3-c3cccc(N4CCCC(O)C4)c3)ccn2)C1,IDMWRQHAGVDMPK-UHFFFAOYSA-N
rxn:5:177736:226664:225784,CC(C)(C)OC(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2cc(N3CCCC3)ncc2F)c1,GXHNGNMXXCFYIT-UHFFFAOYSA-N
rxn:5:177737:225976:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccnc(N2CCOCC2)c1F,ZIYJGYLGQOVXLK-UHFFFAOYSA-N
rxn:5:177739:223062:225976,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,URRITTLTNODMFM-UHFFFAOYSA-N
rxn:5:177739:225833:226794,CC(C)(C)OC(=O)c1cccc(-c2ccnc(N3CCCCC3)c2F)c1-c1cnc(N2CCSCC2)nc1,LZENLZUAYOKLOA-UHFFFAOYSA-N
rxn:5:177850:225465:225584,CCOc1ccc(-c2cccc(C3CCN(C)CC3)c2)c(C2OCCO2)c1-c1ccc(C(=O)N2CCCC2)cc1,DMTFAOLSAZKQEB-UHFFFAOYSA-N
rxn:5:177850:225617:227590,CCOc1ccc(-c2ccc(OC3CCCCO3)cc2)c(C2OCCO2)c1-c1ccc(CC(F)(F)F)cc1,LXMJUSBZVYQULA-UHFFFAOYSA-N
rxn:5:177850:225784:227296,CCOc1ccc(-c2ccc(CN3CCOCC3)nc2)c(C2OCCO2)c1-c1ccc(OC2CCC2)nc1,QPYMLKRSSVHLAN-UHFFFAOYSA-N
rxn:5:177850:225798:225636,CCOc1ccc(-c2ccc(OC3CCOCC3)nc2)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,GFNQGDZCUVPBLS-UHFFFAOYSA-N
rxn:5:177850:225809:226649,CCOc1ccc(-c2cc(F)ccc2OC2CCOC2)c(C2OCCO2)c1-c1cccnc1N1CCOCC1,PBGFVYSVSVISCD-UHFFFAOYSA-N
rxn:5:177850:226750:225453,CCOc1ccc(-c2cc(C(F)(F)F)ccc2OC)c(C2OCCO2)c1-c1cccc(SC2CCCCC2)c1,PHPYMHUEYHYOFN-UHFFFAOYSA-N
rxn:5:177891:226900:227939,COC(C)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,MWHJKVMCOBZOGX-UHFFFAOYSA-N
rxn:5:177891:226901:226329,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(S(F)(F)(F)(F)F)c3)cc2F)CC1,KFPRUNZQHMCBEY-UHFFFAOYSA-N
rxn:5:177891:226901:227896,N#CC=Cc1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,OTSXGPOGDZHDEN-UHFFFAOYSA-N
rxn:5:177891:227027:226900,N#CC1(c2ccccc2-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)CC1,DEGCMGSNGAMSKQ-UHFFFAOYSA-N
rxn:5:177891:227750:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(F)c1C(F)(F)F,AJMXQSSMYWMWME-UHFFFAOYSA-N
rxn:5:177891:228623:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1sccc1C1CCC1,NGHQXIRFWCFAHH-UHFFFAOYSA-N
rxn:5:178117:225623:227077,CCC(C)c1ccc(-c2ccc(-c3cccc(OC4CCOCC4)c3)cc2OCC2CCOCC2)c(F)c1,PKJHYQKYGXGLGO-UHFFFAOYSA-N
rxn:5:178117:225824:227672,Cc1cccc(-c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2OCC2CCOCC2)c1C(F)(F)F,VWIPKCHZARQRTO-UHFFFAOYSA-N
rxn:5:178119:223183:226188,CNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2cc(C)c([Si](C)(C)C)cc2C)c(C)c1,AJTYTYZQIXSWTI-UHFFFAOYSA-N
rxn:5:178120:226130:225625,Fc1ccc(OC2CCCC2)cc1-c1c(OCC2CCOCC2)cccc1-c1ccc(CN2CCCC2)cc1,BAUVQGAXSOZLRI-UHFFFAOYSA-N
rxn:5:178121:225598:227052,CC(C)(C)Sc1ccc(-c2cccc(OCC3CCOCC3)c2-c2cccc(CN3CCSCC3)c2)cc1,XYMOMNIZONLMLX-UHFFFAOYSA-N
rxn:5:178121:226968:225593,CC1(C)Cc2ccc(-c3c(OCC4CCOCC4)cccc3-c3cc(F)cc(CN4CCCC4)c3)cc2O1,MHLCBLANWYTHHF-UHFFFAOYSA-N
rxn:5:178121:227292:225449,CN(C)Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2cccc(OC3CCCCC3)c2)ccc1F,BUDGUNKEZXCLMD-UHFFFAOYSA-N
rxn:5:178122:226464:225394,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,SOIWDASDJUOOIO-UHFFFAOYSA-N
rxn:5:178122:226464:226060,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cc(C4CC4)cc(C4CC4)c3)c1)OCCO2,VAQIYCSIHNBBIG-UHFFFAOYSA-N
rxn:5:178122:227067:225980,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(N4CCOCC4)ncc3F)c2)c(C2CC2)c1,XODABOGIVRVGAA-UHFFFAOYSA-N
rxn:5:178225:225884:227589,Cc1cc(OC(F)F)cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3COCCO3)c(F)c2)c1,QLNOWLFTXVSOJM-UHFFFAOYSA-N
rxn:5:178225:226062:226593,CC(C)Oc1ccc(F)c(-c2c(OCC3CCCCC3)cccc2-c2cc(C(C)C)cc(C(C)C)c2)c1F,MYMMYCOGEBIRFF-UHFFFAOYSA-N
rxn:5:178225:226593:226146,CC(C)Oc1ccc(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccc(SC3CCCC3)cc2)c1F,DHKPOHMUNBUGEN-UHFFFAOYSA-N
rxn:5:178225:226652:226154,COc1cc(C(C)(C)C)ccc1-c1c(OCC2CCCCC2)cccc1-c1cc(C)nn1C1CCCCO1,VDINBABIARSFNP-UHFFFAOYSA-N
rxn:5:178295:226835:229048,COC(=O)C1(c2cc(-c3cnn4c3CCC4)ccc2-c2cc(C(F)(F)F)nn2C(C)C)CCC(=O)CC1,YCTGOCKCZYZDDR-UHFFFAOYSA-N
rxn:5:178313:228200:225446,Cc1cc(OC2CCCC2)cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccnn2C2CCCC2)c1,PNOQZVLNCYYISG-UHFFFAOYSA-N
rxn:5:178314:226590:226762,CSc1cc(-c2ccc(-c3ccc(OC4CCOC4)nc3)cc2O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c1,NVAWDUODTWXABP-UHFFFAOYSA-N
rxn:5:178353:225616:226395,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccccc3C(=O)N3CCCC3)cc2C)ccc1-c1cncc(N2CCCCC2)c1,JJTSCDDLOVUICW-UHFFFAOYSA-N
rxn:5:178353:226848:225445,COc1ccc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccccc4OC4CCCCC4)c(C)c3)cc2C)c(C(F)(F)F)n1,LVVVTTSSWIIVAC-UHFFFAOYSA-N
rxn:5:178368:225407:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CCCCCC5)cc4)cc3C)cc2C)cc1C,BMNYCHCJTLWWFA-UHFFFAOYSA-N
rxn:5:178368:225407:227071,COCc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CCCCCC5)cc4)cc3C)cc2C)c(C)c1,LKKATEHCKRAABB-UHFFFAOYSA-N
rxn:5:178368:226064:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CCCCC5)cc4)cc3C)cc2C)cc1C,GGWOJECTNVPWQS-UHFFFAOYSA-N
rxn:5:178368:226151:225407,Cc1cc(OC(C)C)c(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5CCCCCC5)cc4)c(C)c3)cc2C)cc1C,SQTHHFJYQULPKA-UHFFFAOYSA-N
rxn:5:178368:226181:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)nc1,GSLCWCHVRFLOGM-UHFFFAOYSA-N
rxn:5:178368:226190:226151,Cc1cc(OC(C)C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CCCC5)cc4F)cc3C)cc2C)cc1C,VMLLUBGWOJHJIF-UHFFFAOYSA-N
rxn:5:178466:223065:225633,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,DHLZWAHQXBMQJZ-UHFFFAOYSA-N
rxn:5:178466:225978:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,CZXSFWSQIHPXTC-UHFFFAOYSA-N
rxn:5:178466:225982:223063,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,ZHKGBTRTRXQDPN-UHFFFAOYSA-N
rxn:5:178467:223006:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,OPHLEEQQNDIFFU-UHFFFAOYSA-N
rxn:5:178467:223061:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,SCLOWOKIXUDCIW-UHFFFAOYSA-N
rxn:5:178467:223063:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,CGZMCCJUMXQZMZ-UHFFFAOYSA-N
rxn:5:178467:223138:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,OKBKXFAJGNOYKE-UHFFFAOYSA-N
rxn:5:178467:223139:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,JRMQJOJRQADFAK-UHFFFAOYSA-N
rxn:5:178467:223251:226760,CCOC(=O)C1=Cc2cc(-c3cc(F)c(F)c(C(=O)OC)c3)cc(-c3ccc4c(c3)OCC(=O)N4)c2OC1,WHKPNGNJUGHKFU-UHFFFAOYSA-N
rxn:5:178467:223389:226848,CCOC(=O)C1=Cc2cc(-c3ccc(OC)nc3C(F)(F)F)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC1,STNTZLKPDAOOJK-UHFFFAOYSA-N
rxn:5:178467:225594:227534,CCOC(=O)C1=Cc2cc(-c3c(F)cc(OCC)cc3F)cc(-c3ccc(F)cc3CN3CCCC3)c2OC1,IKYOKIJUCWAHDF-UHFFFAOYSA-N
rxn:5:178467:225849:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,WHZVUNBOOFBBLY-UHFFFAOYSA-N
rxn:5:178467:225976:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,GAZSCUMFFRAMBQ-UHFFFAOYSA-N
rxn:5:178467:226037:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccc(C(F)(F)F)c(OC)c3F)c2OC1,FMAPAOTVEQRFGR-UHFFFAOYSA-N
rxn:5:178467:226437:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,JTKRSTYNADSVFN-UHFFFAOYSA-N
rxn:5:178467:226679:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,ILUSWLJLQYLDOQ-UHFFFAOYSA-N
rxn:5:178467:227387:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,CBFXQLCADAASKB-UHFFFAOYSA-N
rxn:5:178467:227960:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccncc3C3CCC3)c2OC1,RJEPXJXMGGPCFF-UHFFFAOYSA-N
rxn:5:178568:225514:226464,COc1ccc2c(c1-c1c(Cc3ccc(C4CC4)cc3)cc(-c3cccc4c3OCC3(CC3)CO4)c3c1OCC3)OCCO2,DBCUYOXONHVAMX-UHFFFAOYSA-N
rxn:5:180021:223134:225633,COc1c(-c2ccc(N3CCCCCC3)nc2)cc(C2OCCO2)cc1-c1cnccc1C1CCCNC1,IFIJNNMYVIYDHM-UHFFFAOYSA-N
rxn:5:180022:223004:225618,COc1c(-c2cccc(OC3CCCCO3)c2)ccc(-c2ccc(C3CCNCC3)c(F)c2)c1C1OCCO1,GSDBXTPZPAZMPT-UHFFFAOYSA-N
rxn:5:180022:225514:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,PHUNLIOHQWZUAF-UHFFFAOYSA-N
rxn:5:180022:225587:225804,COc1c(-c2ccc(C(=O)N3CCC3)c(F)c2)ccc(-c2cccc(CN3CCOCC3)c2)c1C1OCCO1,NJALEOOWPLYYJT-UHFFFAOYSA-N
rxn:5:180022:226060:225407,COc1c(-c2ccc(C3CCCCCC3)cc2)ccc(-c2cc(C3CC3)cc(C3CC3)c2)c1C1OCCO1,PJDIBEGVJFQXGD-UHFFFAOYSA-N
rxn:5:180022:226067:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(C3=CCCCC3)cc2)c1C1OCCO1,RFAVNAYLIWJWLJ-UHFFFAOYSA-N
rxn:5:180022:226069:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2cccc(C3CCCCC3)c2)c1C1OCCO1,FWGQTIDTDJCZBZ-UHFFFAOYSA-N
rxn:5:180022:226844:225592,COc1c(-c2cc(F)ccc2CN2CCCC2)ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1C1OCCO1,BQNIPEDQSPTGRR-UHFFFAOYSA-N
rxn:5:180092:225593:225666,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(CN3CCCC3)c2)cc(-c2cc(F)cc(N3CCCCC3)c2)c1,YWDIQXBYODZFRW-UHFFFAOYSA-N
rxn:5:180092:225666:225666,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2cc(F)cc(N3CCCCC3)c2)c1,LYRKMLUIKJPCIR-UHFFFAOYSA-N
rxn:5:180092:225666:225679,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2ccc(N3CCCCC3)cc2F)c1,AOQXZPOCAYLOHV-UHFFFAOYSA-N
rxn:5:180092:225666:225833,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2ccnc(N3CCCCC3)c2F)c1,AJWYMEMCJSEPHQ-UHFFFAOYSA-N
rxn:5:180092:225666:225834,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2cc(N3CCCCC3)ncc2F)c1,SDLIJLIVOKIYQD-UHFFFAOYSA-N
rxn:5:180092:225666:225849,C[Si](C)(C)C#Cc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2cnc(N3CCCCC3)cc2F)c1,DUZZZKSSDSMNFV-UHFFFAOYSA-N
rxn:5:180267:226898:225602,CSc1cc(C(C)(C)C)cc(-c2cn(S(=O)(=O)N(C)C)nc2C)c1-c1cc(C2(C#N)CCC2)ccc1F,WWJYIODVMCKTKX-UHFFFAOYSA-N
rxn:5:180297:223006:226324,COc1cc(-c2ccc(F)c(C3CCNCC3)c2)c(C2(C)OCCO2)cc1-c1cccnc1OC1CCCC1,LGYMEIMLBZWAJE-UHFFFAOYSA-N
rxn:5:180297:225585:226649,COc1cc(-c2ccccc2CN2CCOCC2)c(C2(C)OCCO2)cc1-c1cccnc1N1CCOCC1,PHTVTQXSPIMWSM-UHFFFAOYSA-N
rxn:5:180297:225652:225466,COc1cc(-c2cncc(N3CCCC(C)C3)c2)c(C2(C)OCCO2)cc1-c1ccc(N2CCCCC2C)cc1,XKBBQGLBUPTHMN-UHFFFAOYSA-N
rxn:5:180297:225808:227207,COc1cc(-c2cc(OC3CCCC3)ncc2F)c(C2(C)OCCO2)cc1-c1cccc2c1OCCC2=O,UIGWBMNFWZXKRU-UHFFFAOYSA-N
rxn:5:180297:225868:222956,COc1cc(-c2ccc(N3CCOCC3)c(F)c2)c(C2(C)OCCO2)cc1-c1ccc(C)cc1C1CCCNC1,YRKDGPZFKNWFNQ-UHFFFAOYSA-N
rxn:5:180297:226146:222987,COc1cc(-c2ccc(SC3CCCC3)cc2)c(C2(C)OCCO2)cc1-c1ccc(C2CCNCC2)nc1C,ALOOJTKOPKYMRS-UHFFFAOYSA-N
rxn:5:180297:226580:225445,COc1cc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C)OCCO2)cc1-c1ccccc1OC1CCCCC1,NKOHAVODVHPYOT-UHFFFAOYSA-N
rxn:5:180297:227450:225625,COc1cc(-c2cccc(C3CC3(F)F)c2)c(C2(C)OCCO2)cc1-c1cc(OC2CCCC2)ccc1F,WODMAWALEDHRCU-UHFFFAOYSA-N
rxn:5:180297:227752:222980,COc1cc(-c2ccc(C(F)(F)F)cc2F)c(C2(C)OCCO2)cc1-c1ccc(CN2CCNCC2)cc1,PXKIPHMGRNJRQU-UHFFFAOYSA-N
rxn:5:180297:227766:226855,CCn1nc(C(F)(F)F)cc1-c1cc(OC)c(-c2cnc(OC)cc2C(F)(F)F)cc1C1(C)OCCO1,VUCBSASVMWDENI-UHFFFAOYSA-N
rxn:5:180297:228340:226837,COc1cc(-c2sc(C3CC3)nc2OC)c(C2(C)OCCO2)cc1-c1c(C)nn(CC(F)(F)F)c1C,UJYIPPKBQLATLM-UHFFFAOYSA-N
rxn:5:180377:223010:225515,CC(C)c1cc(-c2cccc3c2OCC(C)(C)CO3)cc(C(C)C)c1-c1ccc(C2(O)CCOCC2)cc1,DPRUEWRQMCEPPM-UHFFFAOYSA-N
rxn:5:180402:226901:226900,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1)C1CCCCC1,AOKCXAJVNXPVID-UHFFFAOYSA-N
rxn:5:180421:225932:226733,CN(C)c1ccc(-c2cc(CC3CCCCC3)ccc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1C(F)(F)F,QEYUVZUAQLRMAU-UHFFFAOYSA-N
rxn:5:180662:223065:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,QZFVYDOXXMVTHJ-UHFFFAOYSA-N
rxn:5:180662:225849:226644,COC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,LBAOYXFKKXMHDJ-UHFFFAOYSA-N
rxn:5:180662:226679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,FIUPMCCDSCQDFX-UHFFFAOYSA-N
rxn:5:180662:226980:226033,COC(=O)C1=Cc2cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)cc(-c3cccc4c3C(=O)CCC4)c2OC1,RZHBGMNYQSXBTK-UHFFFAOYSA-N
rxn:5:181903:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C2(C)OCCO2)cc1-c1c(C)nn(C2CCCCO2)c1C,NWLMUPHETSDFSK-UHFFFAOYSA-N
rxn:5:181907:225944:225447,Cc1cc(-c2c(F)cc(F)c(OC(C)C)c2F)c(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1,PQUNOEREXNRUPI-UHFFFAOYSA-N
rxn:5:183190:225810:226428,COc1ccc(-c2cc(-c3cc(N4CCCCC4C)cs3)cc3c2CC(C)(C)C3=O)c(C2OCCO2)c1,ULFUMEKQBCBXDD-UHFFFAOYSA-N
rxn:5:183217:226837:226836,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn(C(C)C)nc2C(F)(F)F)cc2c1OC(C)(C)CC2=O,YATVSECGIKJXMD-UHFFFAOYSA-N
rxn:5:188448:226042:226899,COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,XKHCXMNRBIHLCP-UHFFFAOYSA-N
rxn:5:188448:226186:225926,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c([N+](=O)[O-])cc1-c1ccccc1C1CCOCC1,OFJNKDJALYCBDF-UHFFFAOYSA-N
rxn:5:188458:226040:226899,COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1[N+](=O)[O-],BWCSMVZLBZFKSD-UHFFFAOYSA-N
rxn:5:188616:226835:226037,CCOc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2ccc(C(F)(F)F)c(OC)c2F)cc1[N+](=O)[O-],BHTHPBOMQUSYHA-UHFFFAOYSA-N
rxn:5:188875:225449:225584,CON(C)C(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2cccc(OC3CCCCC3)c2)c1,INKAOAVBXFNXNJ-UHFFFAOYSA-N
rxn:5:189000:223082:226188,CNS(=O)(=O)c1c(C)cc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2cc(C)c([Si](C)(C)C)cc2C)cc1C,RUGMSVHFWPEZJY-UHFFFAOYSA-N
rxn:5:189000:225933:225884,CC(C)Oc1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)c(-c2ccc(C3COCCO3)c(F)c2)cc1[N+](=O)[O-],KLXOBERMFNIJBB-UHFFFAOYSA-N
rxn:5:189080:226044:226052,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(CC(=O)N(C)C)c(-c2c(F)ccc(OC(F)(F)F)c2F)c1,OATWRKDRFDTESH-UHFFFAOYSA-N
rxn:5:189207:225616:229089,CC(=O)c1sccc1-c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1C(=O)ON1C(=O)CCC1=O,LVSCERWALOMSSM-UHFFFAOYSA-N
rxn:5:189207:225871:226146,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(SC2CCCC2)cc1,YVNOOABBRSQVAP-UHFFFAOYSA-N
rxn:5:189207:225943:228513,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1ccccc1C1CC1,JNUVPDITRZCKMO-UHFFFAOYSA-N
rxn:5:189207:226185:228473,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1cc([N+](=O)[O-])ccc1F,YIOWYTQIHDKLFV-UHFFFAOYSA-N
rxn:5:189207:226187:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCOCC3)c2)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,SAOGRCYJMBEEQU-SDNWHVSQSA-N
rxn:5:189207:226319:228631,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1ccsc1C1CCC1,GOSINZXWHQZWKP-UHFFFAOYSA-N
rxn:5:189207:226411:227066,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1cccc(C(=O)C2CC2)c1,SPHCSXHCWKEHPI-UHFFFAOYSA-N
rxn:5:189207:226415:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,JWLDTUHCZVWIBD-UHFFFAOYSA-N
rxn:5:189207:226837:228720,Cc1cnn(C(C)C)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)cc1C(=O)ON1C(=O)CCC1=O,OOVBOJXTCIFJOY-UHFFFAOYSA-N
rxn:5:189207:226886:228066,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(C(F)(F)F)c(F)c2)ccc1-c1ccc2c(c1)OCCO2,QHUOPIJIQMHLEN-UHFFFAOYSA-N
rxn:5:189207:226980:226185,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1ccc(C2CCOCC2)cc1,YZJDMIDBULHDAA-UHFFFAOYSA-N
rxn:5:189207:226980:226739,CC(=O)c1ccc(-c2ccc(-c3cccc4c3C(=O)CCC4)cc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],DRWYOHAJKZXCCK-UHFFFAOYSA-N
rxn:5:189207:227450:226901,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CC3(F)F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,IJFYAZUDOYITCX-UHFFFAOYSA-N
rxn:5:189207:227759:227205,COc1c(F)cc(F)c(-c2ccc(-c3cccc4c3OCCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,UITWBEJQBWAQQZ-UHFFFAOYSA-N
rxn:5:189207:227804:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1-c1ccccc1N1CCOCC1,KGAISYVYXAKVGO-UHFFFAOYSA-N
rxn:5:189207:227825:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCC3)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,XVGOMDWEUOMGLU-UHFFFAOYSA-N
rxn:5:189207:228071:225815,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(C2CC2)cc1C(F)(F)F,CRHHPUNOOUWHMA-UHFFFAOYSA-N
rxn:5:189207:228151:225451,COC(=O)c1cccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,QKIHPMVFYREULV-UHFFFAOYSA-N
rxn:5:189207:228193:228340,COc1nc(C2CC2)sc1-c1ccc(-c2cnn(C3CCCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,YNSKSXSTWNIFHQ-UHFFFAOYSA-N
rxn:5:189207:228343:225407,COC(=O)c1sc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1C,LKWFBYLXGFGIJJ-UHFFFAOYSA-N
rxn:5:189207:228484:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])c(F)c2)ccc1-c1cccc(C2CCOCC2)c1,ZHTZAXQBJNNDGM-UHFFFAOYSA-N
rxn:5:189207:228601:225684,CC(=O)c1ccccc1-c1ccc(-c2ccc(C3CCOCC3)nc2C)c(C(=O)ON2C(=O)CCC2=O)c1,JVERJYMYINOFCY-UHFFFAOYSA-N
rxn:5:189207:228628:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(C3CCC3)cs2)ccc1-c1ccc(C(=O)N2CCC2)cc1,YNZZAXFLWJAXCV-UHFFFAOYSA-N
rxn:5:189207:228894:225943,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCOCC2)s1,YEVRZEXSNSECMN-UHFFFAOYSA-N
rxn:5:189208:225584:228078,O=C1OCc2cc(-c3cc(-c4ccc(C(=O)N5CCCC5)cc4)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,VJNYZZPEZPKIFH-UHFFFAOYSA-N
rxn:5:189208:225661:229091,CC(=O)c1occc1-c1cc(-c2ccc(N3CCOCC3)cc2C)ccc1C(=O)ON1C(=O)CCC1=O,CUNBTRXBJUUQSL-UHFFFAOYSA-N
rxn:5:189208:225871:227095,O=C1CC(c2ccc(-c3cc(-c4cccc(N5C(=O)C=CC5=O)c4)ccc3C(=O)ON3C(=O)CCC3=O)cc2)C1,FRJHALDHEPNMBK-UHFFFAOYSA-N
rxn:5:189208:225871:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(C=C[N+](=O)[O-])c1,RUCJGNWQOOTQJS-UHFFFAOYSA-N
rxn:5:189208:225873:228078,O=C1OCc2cc(-c3cc(-c4cccc(N5CCOCC5=O)c4)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,JAPFVRXNGNGAMT-UHFFFAOYSA-N
rxn:5:189208:226064:228149,COC(=O)c1ccccc1-c1cc(-c2ccc(C3CCCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,TVIUZXXPOUQUTO-UHFFFAOYSA-N
rxn:5:189208:226413:228872,COC(=O)c1sccc1-c1cc(-c2cccc(N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,UHVOLWBVYTXKQA-UHFFFAOYSA-N
rxn:5:189208:226415:227546,COC(=O)c1cccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)c1F,CKDCBFFYWXVEDV-UHFFFAOYSA-N
rxn:5:189208:226774:228077,O=C1OCc2ccc(-c3cc(-c4ccc(OC(F)=C(F)F)cc4)ccc3C(=O)ON3C(=O)CCC3=O)cc21,QVSVNZMUZGQVLD-UHFFFAOYSA-N
rxn:5:189208:227703:225640,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccnc(N4CCCCC4C)c3)c2)cnc1F,BVHYSDHSNUUIMC-UHFFFAOYSA-N
rxn:5:189208:227863:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccc3c(c2)CCCO3)ccc1C(=O)ON1C(=O)CCC1=O,OENBOTPRVMDLHH-UHFFFAOYSA-N
rxn:5:189208:227992:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3COC3)cc2)cc1-c1ccc(N2CCOCC2)cc1,WDAIVHJAKRYIER-UHFFFAOYSA-N
rxn:5:189208:228077:226739,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],UCIHMKHBEGWUSV-UHFFFAOYSA-N
rxn:5:189208:228151:226069,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CCCCC4)c3)c2)c1,QEDKDYALDVYGBB-UHFFFAOYSA-N
rxn:5:189208:228174:227656,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cc(N4CCOCC4)cs3)c2)cc1,IGGXLULGJPMEFR-UHFFFAOYSA-N
rxn:5:189208:228497:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2ccnn2CC(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,KQQPXKKIYDYJCX-UHFFFAOYSA-N
rxn:5:189208:228895:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1-c1cccc(N2CCOCC2=O)c1,UDAZEWFTRRECNS-UHFFFAOYSA-N
rxn:5:189208:229089:225584,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(C(=O)N3CCCC3)cc2)c1,AHGRAICBGVJXHB-UHFFFAOYSA-N
rxn:5:189209:225616:226468,CN1C(=O)COc2c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccccc4C(=O)N4CCCC4)c3)cccc21,JGRJJMIPTITUKL-UHFFFAOYSA-N
rxn:5:189209:225617:229091,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(OC3CCCCO3)cc2)c1,UJZIRXYKMXILQI-UHFFFAOYSA-N
rxn:5:189209:226069:227543,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(C4CCCCC4)c3)c2)ccc1F,SHFIHYBVZDUXNN-UHFFFAOYSA-N
rxn:5:189209:226185:227703,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCOCC4)cc3)c2)cnc1F,LCEYSOGNEQLJPB-UHFFFAOYSA-N
rxn:5:189209:226185:227996,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCOCC4)cc3)c2)c(C)c1,WIKFLZLVSFEHEZ-UHFFFAOYSA-N
rxn:5:189209:226447:227778,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C3CCOCC3)c2)cc(-c2cc(F)cc(F)c2[N+](=O)[O-])c1,UVKHXJSAUFSTEW-UHFFFAOYSA-N
rxn:5:189209:226740:223186,N#Cc1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCO4)c3)c2)cccc1C(F)(F)F,MZMMLELLSXDFEM-UHFFFAOYSA-N
rxn:5:189209:227203:227530,COC(=O)c1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)OCCCO4)c2)c1,FABCHZQDQQTHAE-UHFFFAOYSA-N
rxn:5:189209:227446:227543,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4OCCO4)cc3)c2)ccc1F,CJEFTBUVMRLIIR-UHFFFAOYSA-N
rxn:5:189209:227501:227657,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2ccc(N3CCOCC3)s2)c1,UBYBDGNSCROXSD-UHFFFAOYSA-N
rxn:5:189209:228077:227386,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)OC3)cc(-c2cnn(C3CCCCC3)c2)c1,QGAJDVHBRQERIK-UHFFFAOYSA-N
rxn:5:189210:223186:228407,COc1ccc(F)c(F)c1-c1cccc(-c2cnn(C3CCCCO3)c2)c1C(=O)ON1C(=O)CCC1=O,RYCCLOPWCCJRCZ-UHFFFAOYSA-N
rxn:5:189210:225832:229093,Cc1ncnc(C)c1-c1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(=O)ON1C(=O)CCC1=O,UAYDBZIUOSQDGK-UHFFFAOYSA-N
rxn:5:189210:225871:229013,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1sccc1C1CC1,UUHGTAQNWZMXRT-UHFFFAOYSA-N
rxn:5:189210:225871:229080,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1cnc(C2CC2)s1,SYLISODHPSSFHZ-UHFFFAOYSA-N
rxn:5:189210:225873:227080,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCCC3)c2)cccc1-c1cccc(N2CCOCC2=O)c1,PULDQIZVLOBDQU-UHFFFAOYSA-N
rxn:5:189210:226064:228343,COC(=O)c1sc(-c2cccc(-c3ccc(C4CCCCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1C,MRVFVGCVXHRDLP-UHFFFAOYSA-N
rxn:5:189210:226069:228866,COCc1noc(C)c1-c1cccc(-c2cccc(C3CCCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,YXXVXFZWBPWQRZ-UHFFFAOYSA-N
rxn:5:189210:226211:228340,COc1nc(C2CC2)sc1-c1cccc(-c2ccc3c(c2)CCN3C(C)=O)c1C(=O)ON1C(=O)CCC1=O,ZBQHISFFNQFDML-UHFFFAOYSA-N
rxn:5:189210:226413:223361,CC(=NO)c1ccc(-c2cccc(-c3cccc(N4CCOCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1,OWCWJJLJFZQKIY-UHFFFAOYSA-N
rxn:5:189210:226969:226969,O=C1CCCc2cc(-c3cccc(-c4ccc5c(c4)CCCC5=O)c3C(=O)ON3C(=O)CCC3=O)ccc21,KZTHZZMFXNPMGS-UHFFFAOYSA-N
rxn:5:189210:227386:227766,CCn1nc(C(F)(F)F)cc1-c1cccc(-c2cnn(C3CCCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,XVOCQASZRFPURJ-UHFFFAOYSA-N
rxn:5:189210:228345:227613,COC(=O)c1sc(C)cc1-c1cccc(-c2cnn(C3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,WPGASYPGLHMQGV-UHFFFAOYSA-N
rxn:5:189211:223010:228893,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3(O)CCOCC3)cc2)c1-c1cccc([N+](=O)[O-])c1,BUFICPGMMIICPJ-UHFFFAOYSA-N
rxn:5:189211:225499:229089,CC(=O)c1sccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C2CCCCC2)cc1F,FPMJJIRRWBHNRA-UHFFFAOYSA-N
rxn:5:189211:225873:223422,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3=O)c2)c1-c1ccc(/C=N/O)cc1,LIAXXUWHHAVODC-MUFRIFMGSA-N
rxn:5:189211:226053:228079,O=C1OCc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(F)c(OC(F)(F)F)c1F,BKNRELSJRTZHAQ-UHFFFAOYSA-N
rxn:5:189211:226332:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCC2)c1-c1cccc(N2CCOCC2=O)c1,YUPGFKGRZVCVKH-UHFFFAOYSA-N
rxn:5:189211:226332:226469,CN1C(=O)COc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccccc3C(=O)N3CCC3)cc21,CTVSWMCALIDOCT-UHFFFAOYSA-N
rxn:5:189211:226415:226738,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2N2CCOCC2)c([N+](=O)[O-])c1,FCZIRZJYTCGBDT-UHFFFAOYSA-N
rxn:5:189211:226966:226980,O=C1CCCc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cccc4c3C(=O)CCC4)cc21,PZSLKGNRHASQQP-UHFFFAOYSA-N
rxn:5:189211:227095:226332,O=C1CC(c2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3ccccc3C(=O)N3CCC3)cc2)C1,RQUWDWSUDDALJD-UHFFFAOYSA-N
rxn:5:189211:227103:228150,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2sccc2C2CCCCC2)cc1,YOABUTWVJZQDKC-UHFFFAOYSA-N
rxn:5:189211:227203:227795,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OCCCO3)c1-c1ccc(F)c([N+](=O)[O-])c1F,WMEDPAVINLSCJY-UHFFFAOYSA-N
rxn:5:189211:227501:227197,CN1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C=C[N+](=O)[O-])cc3)cc2C1=O,ALQSKRGRZGDPNT-UHFFFAOYSA-N
rxn:5:189211:228066:226763,COC(=O)c1c(F)cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCO3)cc1F,ZWQJAWINDKDSCN-UHFFFAOYSA-N
rxn:5:189211:228343:226064,COC(=O)c1sc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCCCC3)cc2)cc1C,WRWDJADKBAIEMK-UHFFFAOYSA-N
rxn:5:189211:229009:225583,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(C3CC3)cs2)c1-c1cccc(C(=O)N2CCCC2)c1,CAYMFCWIZZMWLN-UHFFFAOYSA-N
rxn:5:189211:229091:222982,CC(=O)c1occc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(CN2CC[C@@H](O)C2)cc1,FJIQFRGIHRQTAR-HXUWFJFHSA-N
rxn:5:189212:225654:227120,CC1CCCN(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C4CCC4)cc3F)cn2)C1,FNYATXOLWUTUDT-UHFFFAOYSA-N
rxn:5:189212:226150:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cccc(SC3CCCC3)c2)c1,ZMVNGOCBKRYCLY-UHFFFAOYSA-N
rxn:5:189212:226155:227824,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCC3)cc2)cc(C2CC2)c1,AYKQVWKVZTVBAS-UHFFFAOYSA-N
rxn:5:189212:226413:227870,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CC3)c(-c2cccc(N3CCOCC3)c2)c1,NBHHCOGGMUKQCQ-UHFFFAOYSA-N
rxn:5:189212:226415:225986,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccccc2N2CCOCC2)c1,NCBYSVSAUPOVAV-UHFFFAOYSA-N
rxn:5:189212:226452:228868,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3OCCCO3)cc2)s1,IQTNWQMUQXMFPA-UHFFFAOYSA-N
rxn:5:189212:226778:226464,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2c(OC)ccc3c2OCCO3)c(F)c(F)c1OC,IIUIIFDHTKBLRO-UHFFFAOYSA-N
rxn:5:189212:226881:227680,COc1c(F)c(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2OC(F)(F)O3)c(F)c1F,YPOVYMYFGAWXIO-UHFFFAOYSA-N
rxn:5:189212:226980:225584,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)c(-c2cccc3c2C(=O)CCC3)c1,JCSICHPWVPMXBC-UHFFFAOYSA-N
rxn:5:189212:227680:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2cccc3c2OC(F)(F)O3)c1,ZCFOVWBHTYDICI-UHFFFAOYSA-N
rxn:5:189212:227804:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)c(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c1,HKODHMUHGOUDRJ-UHFFFAOYSA-N
rxn:5:189212:227863:226881,COc1c(F)c(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)CCCO3)c(F)c1F,ZNSXTPTZDHHAIK-UHFFFAOYSA-N
rxn:5:189320:226862:225470,CC1CCN(c2ccc(-c3ncc(C(=O)OC(C)(C)C)cc3-c3cccc(OC(F)(F)F)c3F)cc2)CC1,AZPCWFUAZCHFFM-UHFFFAOYSA-N
rxn:5:189540:225394:226152,COc1cc(C2CC2)cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2CN2CC(OC)C2)c1C,WOVVXUXUJLKCGF-UHFFFAOYSA-N
rxn:5:189540:225394:226212,CON=C1CCc2cc(-c3ccc(-c4cc(C5CCC5)cc(C5CC5)c4)cc3CN3CC(OC)C3)ccc21,DTSCFTVBRAQFMJ-UHFFFAOYSA-N
rxn:5:189540:225394:226215,CO/N=C1\CCc2cc(-c3ccc(-c4cc(C5CCC5)cc(C5CC5)c4)cc3CN3CC(OC)C3)ccc21,DTSCFTVBRAQFMJ-XAHDOWKMSA-N
rxn:5:189540:225394:226464,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc1CN1CC(OC)C1)OCCO2,JPXVXZVYBFJYEG-UHFFFAOYSA-N
rxn:5:189540:225976:225633,COC1CN(Cc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2ccc(N3CCCCCC3)nc2)C1,SFFAXVDBZMLQOX-UHFFFAOYSA-N
rxn:5:189540:226215:225394,CO/N=C1\CCc2cc(-c3ccc(-c4cc(C5CCC5)cc(C5CC5)c4)c(CN4CC(OC)C4)c3)ccc21,CTWCGQOQNMBDJA-XAHDOWKMSA-N
rxn:5:189662:227390:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2ccnn2C2CCCCC2)cc1OCC1CCOCC1,FVEZHJQZAFCEDZ-UHFFFAOYSA-N
rxn:5:189665:226898:226572,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(OCC2CCOCC2)c(-c2cnc(OC3CCCC3)nc2)c1,ZOZRITZRULUWOF-UHFFFAOYSA-N
rxn:5:189665:227365:222980,CCOc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(CN4CCNCC4)cc3)c2)cc(C)c1F,KKOCZPKKEFGUKH-UHFFFAOYSA-N
rxn:5:189666:226685:226054,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c(-c2cnc(C3CCOCC3)nc2)c1,QTYDPTFVQKKSKU-MUUOHCGTSA-N
rxn:5:189673:227403:223132,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(N3CCCCC3)s2)cc1-c1cccc(N2CCNCC2)c1,XPRPXUNBUBCTML-WEMUVCOSSA-N
rxn:5:189777:225394:226464,COc1ccc2c(c1-c1ccc(CCN3CCCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c1)OCCO2,NDFPYOANFWOAEZ-UHFFFAOYSA-N
rxn:5:189778:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(CCN3CCCC3)c1)OCCO2,XWEHVNJPYJECDW-UHFFFAOYSA-N
rxn:5:189829:226135:228497,COc1c(-c2cc(C3CC3)c(C#N)cc2C)cc(C(=O)N2CCCC2)cc1-c1ccnn1CC(F)(F)F,MKTGQHIJOLCNLP-UHFFFAOYSA-N
rxn:5:189908:226593:226197,CC(C)Oc1ccc(F)c(-c2cnc(-c3ccc(C4CCCOC4)cc3)c(OCC3CCCCC3)c2)c1F,MRSTVEVHLUTNOK-UHFFFAOYSA-N
rxn:5:189910:226794:223141,c1cc(-c2cncc(C3CCNCC3)c2)c(CCN2CCOCC2)cc1-c1cnc(N2CCSCC2)nc1,WWLAZLLICNLZEW-UHFFFAOYSA-N
rxn:5:189952:226364:222417,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,LJHVJWAPVFTRLC-UHFFFAOYSA-N
rxn:5:190000:226900:227207,O=C1CCOc2c1cccc2-c1ccc(CC(=O)N2CCCCC2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,XUEONSRITCAFQV-UHFFFAOYSA-N
rxn:5:190000:227766:228498,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cn(C)nc2C(F)(F)F)ccc1CC(=O)N1CCCCC1,ZNCWIGCPJQLSKW-UHFFFAOYSA-N
rxn:5:190001:227044:226901,O=C(c1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1)C1CC1,ZXMXBNVYDFVEDV-UHFFFAOYSA-N
rxn:5:190001:228071:225946,CC(=O)c1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc3c2OCCO3)cc(C(F)(F)F)c1,YHABHUTZQXIMPQ-UHFFFAOYSA-N
rxn:5:190097:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(CCN3CCCCC3)c1)OCCO2,VMGFOFASTUELMJ-UHFFFAOYSA-N
rxn:5:190127:227566:227679,COc1ccc(-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)c(C(=O)N3CCC(OC)CC3)c2)c(OC)c1F,NCRAUUMWDGUDAF-UHFFFAOYSA-N
rxn:5:190131:223389:228502,COc1c(-c2nn(C)cc2C(F)(F)F)cc(C(=O)N2CCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,JHCPQRMXKMFNPB-UHFFFAOYSA-N
rxn:5:190131:226085:226946,COc1c(-c2ccc3c(c2)CCN(C)C3)cc(C(=O)N2CCCCC2)cc1-c1ccc2c(c1)CCC(C)(C)O2,JHWHVWUBBPGCRN-UHFFFAOYSA-N
rxn:5:190131:226662:228066,COc1c(-c2ccc3c(c2)OCCO3)cc(C(=O)N2CCCCC2)cc1-c1ccc(N2CCN(C)CC2)s1,YPHIYBQKPUZQLW-UHFFFAOYSA-N
rxn:5:190131:226835:229048,COc1c(-c2cnn3c2CCC3)cc(C(=O)N2CCCCC2)cc1-c1cc(C(F)(F)F)nn1C(C)C,LAOSGCFAGZZHPK-UHFFFAOYSA-N
rxn:5:190131:227978:225939,COc1c(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)C)ccc1F,BDTUYXWTHIVSEI-UHFFFAOYSA-N
rxn:5:190131:228967:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cn(C)nc2C(F)F)c1OC,AEWZWFJUJCDODT-UHFFFAOYSA-N
rxn:5:190177:226901:226031,O=C1CC(Sc2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,IBDFBKRIXQBLMV-UHFFFAOYSA-N
rxn:5:190194:225465:227591,COc1cc(C(F)F)ccc1-c1c(CN2CCC(OC)CC2)cccc1-c1cccc(C2CCN(C)CC2)c1,LLAABTOCQURMNH-UHFFFAOYSA-N
rxn:5:190194:225601:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3(C#N)CCC3)cc2F)ccc1OC,VRSQWEGIHJPWJI-UHFFFAOYSA-N
rxn:5:190194:225602:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3(C#N)CCC3)ccc2F)ccc1OC,JMGWMROMHJAAJX-UHFFFAOYSA-N
rxn:5:190194:226060:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1cc(C3CC3)cc(C3CC3)c1)OCCO2,ZMEGIRXSPIYOCI-UHFFFAOYSA-N
rxn:5:190194:226067:227524,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3=CCCCC3)cc2)c(F)cc1C#N,NLRMFNFQVHKSIZ-UHFFFAOYSA-N
rxn:5:190194:226185:226342,COC(=O)c1c(C)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCOCC3)cc2)cc1C,RGHXIGWHMLKWMX-UHFFFAOYSA-N
rxn:5:190194:226464:225394,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,JAUTZPSVYZYSAZ-UHFFFAOYSA-N
rxn:5:190194:226464:226916,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cccc(C3=CCCC3)c1)OCCO2,DFFCXWUAHCDVOQ-UHFFFAOYSA-N
rxn:5:190194:226464:226918,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc(C3=CCCC3)cc1)OCCO2,OLMBHEKLRLYXDP-UHFFFAOYSA-N
rxn:5:190194:226900:226900,COC1CCN(Cc2cccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,IVRBESGXNWYZDL-UHFFFAOYSA-N
rxn:5:190194:227031:226152,COc1cc(C2CC2)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CC3)cc2C#N)c1C,GDPOZPRKYPQZFN-UHFFFAOYSA-N
rxn:5:190194:227935:225601,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3(C#N)CCC3)cc2F)ccc1OC,VAEJKOXHEVGRGN-UHFFFAOYSA-N
rxn:5:190194:228079:225450,COC1CCN(Cc2cccc(-c3cccc4c3COC4=O)c2-c2ccc(C(=O)C3CCCC3)cc2)CC1,PETHAWCMUKNCHF-UHFFFAOYSA-N
rxn:5:190194:228118:225394,COc1cccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1C#N,RDEGJTXNATUHRJ-UHFFFAOYSA-N
rxn:5:190195:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(C3CCNCC3)cc2F)c1)C1CCOCC1,CKOKAHNSRKPACC-UHFFFAOYSA-N
rxn:5:190195:223113:225803,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,RODYLSRIMDHEBX-UHFFFAOYSA-N
rxn:5:190195:223113:226645,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(N3CCOCC3)c2)c1)C1CCOCC1,QOBWKRUXHSETKY-UHFFFAOYSA-N
rxn:5:190195:225620:227575,COc1ccc(OC)c(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(OC3CCOCC3)cc2)c1F,SCTNKCKINCSQON-UHFFFAOYSA-N
rxn:5:190196:225810:228319,COc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccnc(OC)c3OC)c2)c(C2OCCO2)c1,QFZQFUBIJHAHAQ-UHFFFAOYSA-N
rxn:5:190197:223378:223061,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cnc2c(c1)NCCO2)C1CCOCC1,WSGQUIDCBICKOH-UHFFFAOYSA-N
rxn:5:190197:226583:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)s2)c1,YCVBILKFXXDQMH-UHFFFAOYSA-N
rxn:5:190198:225591:228162,CCOc1c(F)cccc1-c1cccc(-c2cc(CN3CCCC3)ccc2F)c1CN(C)C1CCOCC1,YIPDSFXRZLCDAH-UHFFFAOYSA-N
rxn:5:190200:227326:226838,COC(=O)c1ccc(C)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cnc(C#N)c(C(F)(F)F)c3)c2)c1,SXDRZJBWCRCNHS-UHFFFAOYSA-N
rxn:5:190201:223061:222417,CC1CN(CCc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,BVMUKJNYNWCCGI-UHFFFAOYSA-N
rxn:5:190231:228712:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1C1CCC1,UBOBLASHROBCEW-UHFFFAOYSA-N
rxn:5:190265:226901:227812,CC(C)Cc1cccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,HDYXAGQJDBFQMT-UHFFFAOYSA-N
rxn:5:190265:227322:227107,COc1c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cc(C)cc(C3CC3)c2F)cncc1C(C)C,JXAGVHJFUAJBOB-UHFFFAOYSA-N
rxn:5:190265:227764:223251,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(c3)OCC(=O)N4)c(-c3cc(F)c(C(F)F)c(F)c3)c2)C1,DQNLGCSRKCJBJQ-UHFFFAOYSA-N
rxn:5:190307:226900:226900,CC1CCN(CCc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,QLRAYZYRZKOEFZ-UHFFFAOYSA-N
rxn:5:190307:227592:225884,COc1cc(F)cc(-c2ccc(-c3ccc(C4COCCO4)c(F)c3)c(CCN3CCC(C)CC3)c2)c1OC,NRCSZWZASIUUEZ-UHFFFAOYSA-N
rxn:5:190308:226429:227860,CC1CCCN(CCc2cc(-c3ccc(N4CCCC(C)C4)s3)ccc2-c2ccc3c(c2)CCN3C)C1,GZFHITGIJGENFK-UHFFFAOYSA-N
rxn:5:190308:227569:225466,COc1ccc(F)c(OC)c1-c1ccc(-c2ccc(N3CCCCC3C)cc2)c(CCN2CCCC(C)C2)c1,YJXPTTRFXNVKFY-UHFFFAOYSA-N
rxn:5:190309:226744:227766,CCc1cc(-c2ccc(-c3cc(C(F)(F)F)nn3CC)c(CCN3CCCCC3C)c2)cnc1C(F)(F)F,LYGZDRWYQVALFY-UHFFFAOYSA-N
rxn:5:190336:228775:225448,COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C)ccc3OC3CCCC3)c2OC)cc1F,GXVSGFYJZPBYCN-UHFFFAOYSA-N
rxn:5:190337:225407:227536,CCOc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(C4CCCCCC4)cc3)c2OC)c(F)cc1F,IUEHFOOPCVFXRX-UHFFFAOYSA-N
rxn:5:190404:227349:226164,COc1cc(C)cc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4ccc(N5CCCCC5)cc4)CC3)o2)c1OC,NYCGXYXETQQAAH-UHFFFAOYSA-N
rxn:5:190459:226900:227357,CCC(=O)c1cc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)CCS2)ccc1F,GHFWWDODTGDRDB-UHFFFAOYSA-N
rxn:5:190484:226900:229079,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1)N1CCC(c2ccccc2-c2csc(C3CC3)n2)S(=O)(=O)CC1,GQGGMKIUDOMYJO-UHFFFAOYSA-N
rxn:5:190484:227590:228066,O=C(c1cccc(-c2ccc(CC(F)(F)F)cc2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)OCCO3)S(=O)(=O)CC1,XSJVWYMQWUQDDY-UHFFFAOYSA-N
rxn:5:190740:223061:225976,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,WIGPFCRJLLKLSQ-UHFFFAOYSA-N
rxn:5:190740:225849:223061,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cc(C2CCNCC2)ncc1F,IGCRJEFCAKJXCD-UHFFFAOYSA-N
rxn:5:190741:223056:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,SJYLGFXQMUXOJV-UHFFFAOYSA-N
rxn:5:190741:225655:225849,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,KGBPYHFSFGNIPF-UHFFFAOYSA-N
rxn:5:190741:225833:225833,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,UWQMBQSYLFLMMQ-UHFFFAOYSA-N
rxn:5:190742:225834:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccnc(N2CCCCC2)c1F,WUJOGZPNJBGIKZ-UHFFFAOYSA-N
rxn:5:190743:223064:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,UJOSUZVPGFPHQK-UHFFFAOYSA-N
rxn:5:190743:225784:223006,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,FWNGMFCRCPKGAS-UHFFFAOYSA-N
rxn:5:190743:225833:223056,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,HTXPWAXDLNBGKU-UHFFFAOYSA-N
rxn:5:190743:225834:225849,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,LRKLMYDVABLQEQ-UHFFFAOYSA-N
rxn:5:190744:223062:225454,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,KHBLTTFRVBNFAW-UHFFFAOYSA-N
rxn:5:190744:225833:223065,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,OEQUNTKJNOCBDG-UHFFFAOYSA-N
rxn:5:190744:225833:225784,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,AWLJSRAHJRZTRT-UHFFFAOYSA-N
rxn:5:190744:225833:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,QGZUZZKTJAOBMC-UHFFFAOYSA-N
rxn:5:190832:223018:226028,CCOC(=O)c1cnc2cc(C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c(C)c2c1-c1ccc(C(F)(F)F)c(C#N)c1F,MSRRYXLBUKMWKD-UHFFFAOYSA-N
rxn:5:190832:223064:226366,CCOC(=O)c1cnc2cc(C)c(-c3ccc(C4CCNCC4)nc3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1,UKUIBCWIIALLCT-UHFFFAOYSA-N
rxn:5:190833:225806:226777,Cc1cc(-c2ccc(-c3cnc(OC4CCCC4)cc3F)c3c2CN(C(=O)OC(C)(C)C)C3=O)cc(OC(F)F)c1F,QPYYERBYWZZAQX-UHFFFAOYSA-N
rxn:5:190833:227492:228460,COc1ncnc(OC)c1-c1ccc(-c2c(OC)ncnc2C2CC2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DLYFFEYMDDQROW-UHFFFAOYSA-N
rxn:5:190833:228653:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnn3c2CCCC3)c2c1CN(C(=O)OC(C)(C)C)C2=O,XDXOJLONPVSSDA-UHFFFAOYSA-N
rxn:5:190998:225834:226395,COC(=O)c1cc(-c2cncc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,JOPMVJRDKOIQPD-UHFFFAOYSA-N
rxn:5:190998:225849:226395,COC(=O)c1cc(-c2cncc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,BBXAEGVQIYOIKV-UHFFFAOYSA-N
rxn:5:190998:226679:227376,COC(=O)c1cc(-c2cncc(N3CCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCCC4)cc3F)ccc2OCC1=O,YCTUYNDPVPZBHN-UHFFFAOYSA-N
rxn:5:191026:223065:228020,COC(=O)C1=CN(c2ccc(C)c(-c3c(F)cccc3C3CC3)c2)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2S1(=O)=O,QWCRYRMISYLXRT-UHFFFAOYSA-N
rxn:5:191026:227525:227052,CCc1cnc(C(F)F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(SC(C)(C)C)cc3)c1)C=C(C(=O)OC)S2(=O)=O,XWBFWTYJYYHKRS-UHFFFAOYSA-N
rxn:5:191026:227810:227704,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,FPUNXOZNEOBDRR-UHFFFAOYSA-N
rxn:5:191026:227810:227705,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,PQXNVIZKKYDXGA-UHFFFAOYSA-N
rxn:5:191026:227833:226188,CCc1cc(C)cc(C)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,SWBLJGQZBHUUGS-UHFFFAOYSA-N
rxn:5:191026:227940:227525,CCc1cc(SC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4CC)c2)C=C(C(=O)OC)S3(=O)=O)c1,NLUJZEZHMLIADI-UHFFFAOYSA-N
rxn:5:191026:227940:227704,CCc1cc(SC)cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,YRNZDKSZYOXYLG-UHFFFAOYSA-N
rxn:5:191026:227989:227087,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)cnc4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,RRBXXWKAVNWQSG-UHFFFAOYSA-N
rxn:5:191026:227989:227706,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(OC)cnc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)c1,MKGXZBDHHVTGGU-UHFFFAOYSA-N
rxn:5:191049:226794:227376,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cncc(N2CCCC2)c1,GZTCQNPCJHDRCS-UHFFFAOYSA-N
rxn:5:191049:227419:223287,CNS(=O)(=O)c1ccc(-c2cc(OC)c(N3Cc4cc(-c5ccc(C6CCC6)nc5F)ccc4OCC3=O)cc2OC)cc1,IHRFVEKRFKOMIR-UHFFFAOYSA-N
rxn:5:192074:225832:226836,CCS(=O)(=O)c1cnc(-c2cn(C(C)C)nc2C(F)(F)F)c(-c2c(C)nn(C3CCCCO3)c2C)c1,PQOIRXZWAXFBQL-UHFFFAOYSA-N
rxn:5:192235:226046:226837,COc1cc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1S(N)(=O)=O,YRKUCFJRIFNUNY-UHFFFAOYSA-N
rxn:5:192236:225590:225455,COc1cc(-c2cc(N3CCCCC3)ccc2C)c(S(N)(=O)=O)cc1-c1ccc(CN2CCCC2)c(F)c1,IRQXDIJODASDRG-UHFFFAOYSA-N
rxn:5:192236:226837:226837,COc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(N)(=O)=O)cc1-c1c(C)nn(CC(F)(F)F)c1C,VGTWJGKRXGDKLQ-UHFFFAOYSA-N
rxn:5:192562:225448:225927,Cc1ccc(OC2CCCC2)c(-c2ccc(C3(C#N)CCC3)cc2-c2cc(C(F)(F)F)ccc2N(C)C)c1,LYSDNDMGVBCEIB-UHFFFAOYSA-N
rxn:5:193046:225812:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cc(C)c(F)c(OC(C)C)c2F)cc(C(C)(C)C)cc1[N+](=O)[O-],BCLNMRZEPZUAGD-UHFFFAOYSA-N
rxn:5:193052:225986:226900,O=C(c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC1,DHZKTHWKSCMDOC-UHFFFAOYSA-N
rxn:5:193053:226152:223010,COc1cc(C2CC2)cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2)c1C,BVRSXOJMMCPGMN-UHFFFAOYSA-N
rxn:5:193152:225455:223002,Cc1ccc(N2CCCCC2)cc1-c1cc(CN2CCCC2)ccc1-c1ccc(C2CCNCC2)cc1F,AIYXLIOTKYCDIG-UHFFFAOYSA-N
rxn:5:193225:226663:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(N3CCSCC3)nc2)cc1C(=O)N1CCOCC1,KJXYRPQNHICFJN-UHFFFAOYSA-N
rxn:5:193226:223006:226645,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,XTQFNJBSXPRXAD-UHFFFAOYSA-N
rxn:5:193226:223006:227491,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnc(OC3CCC3)nc2)c1)N1CCOCC1,IGGGEUHAIRVPEP-UHFFFAOYSA-N
rxn:5:193226:223062:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cnc(C3CCNCC3)cc2F)cc(F)n1,PETDQWOQHAXLGQ-UHFFFAOYSA-N
rxn:5:193226:225784:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,SAKDMUWSWDJHNR-UHFFFAOYSA-N
rxn:5:193226:225849:227387,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCCC3)c2)c1)N1CCOCC1,IELSOZJVPULAHD-UHFFFAOYSA-N
rxn:5:193227:225871:225871,O=C(c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1)N1CCOCC1,DMHCXBAMEPVHRL-UHFFFAOYSA-N
rxn:5:193227:226319:226738,CC(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(C(=O)N4CCC4)cc3)c2)c([N+](=O)[O-])c1,MCVKPVOMOXGVAO-UHFFFAOYSA-N
rxn:5:193227:226645:223006,O=C(c1cc(-c2ccnc(N3CCOCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,MFAKKFZNBWPKIC-UHFFFAOYSA-N
rxn:5:193227:227316:225976,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2)cc(F)n1,NOUHNCYXKKNEFF-UHFFFAOYSA-N
rxn:5:193228:225986:227304,Cc1cc(OC(C)C)ncc1-c1cc(C(=O)N2CCSCC2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,IWCWXYKEIUXNNQ-UHFFFAOYSA-N
rxn:5:193229:223061:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cc(C3CCNCC3)ncc2F)cc(F)n1,MEBSKMVCCKFXHK-UHFFFAOYSA-N
rxn:5:193229:225784:223006,O=C(c1cccc(-c2ccc(CN3CCOCC3)nc2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,YKZFAJGPSFESNW-UHFFFAOYSA-N
rxn:5:193230:223006:225978,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,CKYYJDLPLNPMLQ-UHFFFAOYSA-N
rxn:5:193230:225833:226664,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cc(N2CCCC2)ncc1F)N1CCOCC1,UXJORTYRYGMUKC-UHFFFAOYSA-N
rxn:5:193335:226794:223061,Fc1cnc(C2CCNCC2)cc1-c1cccc(-c2cnc(N3CCSCC3)nc2)c1CN1CCOCC1,QWORHABQLANLFG-UHFFFAOYSA-N
rxn:5:193338:223007:226758,COc1ccc(-c2cc(CN3CCOCC3)cc(-c3cc(F)cc(C4CCNCC4)c3)c2)cc1C(F)(F)F,PIBSQBCPTZCPGB-UHFFFAOYSA-N
rxn:5:193382:226837:228720,Cc1cnn(C(C)C)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1S(=O)(=O)N1CCOCC1,BPACXDJSQICCHA-UHFFFAOYSA-N
rxn:5:193460:227291:225407,CN(C)Cc1ccc(-c2cccc(C(=O)N3CCCCC3)c2-c2ccc(C3CCCCCC3)cc2)cc1F,QLQPPBYRIZQUNZ-UHFFFAOYSA-N
rxn:5:193461:226900:226427,CC1CCN(c2csc(-c3cc(-c4ccc(S(F)(F)(F)(F)F)cc4)ccc3C(=O)N3CCCCC3)c2)CC1,TXYJGUSUVIZLIG-UHFFFAOYSA-N
rxn:5:193462:226900:222992,O=C1CCN(Cc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2ccc(N3CCCCC3O)cc2)CC1,RIAAHTPMTUXYSZ-UHFFFAOYSA-N
rxn:5:193463:226599:226341,CCOc1c(F)cc(-c2ccc(CN3CCC(=O)CC3)c(-c3cc(C(C)C)c(F)cc3OC)c2)c(C)c1F,CFZJSCJGJFUNCE-UHFFFAOYSA-N
rxn:5:193463:226901:222990,O=C1CCN(Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2ccc(N3CCC(O)CC3)cc2)CC1,QVKWYCXTPWGDDX-UHFFFAOYSA-N
rxn:5:193463:227611:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnn2C2CCCCO2)ccc1CN1CCC(=O)CC1,AJDUXGOCZXVVQK-UHFFFAOYSA-N
rxn:5:193464:225810:223133,COc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccccc3N3CCNCC3)c2)c(C2OCCO2)c1,BRNPJRRGCFTOFV-UHFFFAOYSA-N
rxn:5:193465:225407:227563,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(CC(F)(F)F)c2)c1-c1ccc(C2CCCCCC2)cc1,SKZXIAXPYOYSSB-QHCPKHFHSA-N
rxn:5:193465:225946:223250,CC(=O)c1cc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2ccc3c(c2)NC(=O)CO3)cc(C(F)(F)F)c1,BUWWBTFEIFLAQH-INIZCTEOSA-N
rxn:5:193465:226174:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccc(C2CCCCC2)nc1,VAMCNUXYNVZMHJ-FQEVSTJZSA-N
rxn:5:193466:226028:226469,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,POFYVUNJOZDMFX-MRXNPFEDSA-N
rxn:5:193466:226041:222993,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(N3CCCCC3O)c2)cc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,ODYJWXKTTMJJFP-FOEZPWHWSA-N
rxn:5:193466:226469:226886,C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1-c1ccc2c(c1)N(C)C(=O)CO2,VTQFXVGQLXEQRU-OAHLLOKOSA-N
rxn:5:193467:225820:227501,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1c(C2CC2)cccc1C(F)(F)F,FTPTYHNYVJGGST-IBGZPJMESA-N
rxn:5:193467:225820:227709,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1c(C2CC2)cccc1C(F)(F)F,JXNVVBUFAQUOEM-KRWDZBQOSA-N
rxn:5:193467:225926:227680,C[C@H]1CCCN1C(=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,OALZJEROOMQHBC-SFHVURJKSA-N
rxn:5:193467:226028:226084,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(=O)CCCC3)ccc1-c1ccc(C(F)(F)F)c(C#N)c1F,MGAMEBPQFWPZLH-SFHVURJKSA-N
rxn:5:193467:226900:226382,C[C@H]1CCCN1C(=O)c1cc(-c2cnc(C3CCCCC3)nc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,RYIVIBVOPHODBW-IBGZPJMESA-N
rxn:5:193467:226969:225817,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)ccc1-c1ccc2c(c1)CCCC2=O,ZCFJXJXATYOPGU-IBGZPJMESA-N
rxn:5:193467:227563:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccc(CC(F)(F)F)c1,BQGDTDIXKAHKAC-FQEVSTJZSA-N
rxn:5:193467:227659:225472,Cc1c(-c2ccc(-c3cccc(N4CCCCC4C)c3)cc2C(=O)N2CCC[C@@H]2C)cccc1C(F)(F)F,AUEQSARTQRDAIV-KEKNWZKVSA-N
rxn:5:193468:225437:226901,C[C@H]1CCCN1C(=O)c1c(-c2cccc(CN3CCCCC3)c2)cccc1-c1cccc(S(F)(F)(F)(F)F)c1,LNJWOCQZSYIAJQ-QFIPXVFZSA-N
rxn:5:193468:225816:227044,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CC3)cc2)cccc1-c1cc(C2CC2)ccc1C(F)(F)F,NAZRXAXCGLZQMQ-IBGZPJMESA-N
rxn:5:193468:225987:226891,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCS3(=O)=O)cc2)cccc1-c1cc(C(F)(F)F)cc(F)c1F,RETBCFWWTRGXCV-KRWDZBQOSA-N
rxn:5:193468:226028:227207,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(F)(F)F)c(C#N)c2F)cccc1-c1cccc2c1OCCC2=O,OKSHGRWZKTVTPB-INIZCTEOSA-N
rxn:5:193468:226045:227507,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(F)(F)C(F)(F)F)nc2)cccc1-c1cccc(C=C[N+](=O)[O-])c1,DMMHRCOTZXDTKH-KRWDZBQOSA-N
rxn:5:193468:226084:226862,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)C(=O)CCCC3)cccc1-c1cccc(OC(F)(F)F)c1F,TXDDLPTYSLOWSI-SFHVURJKSA-N
rxn:5:193468:226886:226899,C[C@H]1CCCN1C(=O)c1c(-c2cc(F)c(C(F)(F)F)c(F)c2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],UCUKBABEOMXLGK-ZDUSSCGKSA-N
rxn:5:193469:225472:227672,Cc1cccc(-c2cc(-c3cccc(N4CCCCC4C)c3)ccc2C(=O)N2CCC[C@H]2C)c1C(F)(F)F,XVVVWAVGDXFGEH-OZAIVSQSSA-N
rxn:5:193506:225926:227183,CN1Cc2cc(-c3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)ccc2C1=O,BHOZTZHMNLBKDM-UHFFFAOYSA-N
rxn:5:193506:226032:229049,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc4n3CCC4)c2)c(F)c(C(F)(F)F)c1,SNSAOBAQOYLARB-UHFFFAOYSA-N
rxn:5:193506:227203:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)OCCCO4)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,JKNZKJOBAFGFBU-UHFFFAOYSA-N
rxn:5:193506:227390:228720,Cc1cnn(C(C)C)c1-c1cc(-c2ccnn2C2CCCCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,XOZUGMQYMDRMMK-UHFFFAOYSA-N
rxn:5:193506:227501:227505,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,FKDUNFYOXINBRH-QJNBNOODSA-N
rxn:5:193506:228115:226457,CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCOC4)c(F)c3)c2)cn1,VMWVTNOGXZEZOR-UHFFFAOYSA-N
rxn:5:193506:228198:226837,Cc1nc(C(C)C)ncc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,KOOCVUIOLGOZSY-UHFFFAOYSA-N
rxn:5:193506:228357:223186,COc1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCCO4)c3)c2)c(C)n1,IDYNHUPIARIRJQ-UHFFFAOYSA-N
rxn:5:193506:228653:226748,COc1cc(C(F)(F)F)ccc1-c1cc(-c2cnn3c2CCCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,SKMVINDRQVOPCJ-UHFFFAOYSA-N
rxn:5:193539:225394:226464,COc1ccc2c(c1-c1cc(CN3CCCCC3)ccc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,SGVLJJZWUUERSH-UHFFFAOYSA-N
rxn:5:193681:223130:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CC(O)C4)cc3)cc1OC1CCN(C)CC1)OCCO2,JYTPATQDZZDTQC-UHFFFAOYSA-N
rxn:5:193681:227349:225456,COc1cc(C)cc(-c2ccc(-c3ccc(C4CCN(C)CC4)cc3)c(OC3CCN(C)CC3)c2)c1OC,UUEYHIHQTNOMOM-UHFFFAOYSA-N
rxn:5:193681:227669:225618,COc1c(F)c(C)cc(-c2ccc(-c3cccc(OC4CCCCO4)c3)c(OC3CCN(C)CC3)c2)c1F,HAROVTLWMWSABC-UHFFFAOYSA-N
rxn:5:193710:225435:225593,O=C1C(=Cc2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)SC(=S)N1c1cccc(-c2ccccc2CN2CCCCC2)c1,BNAGUJBARFFMDB-UHFFFAOYSA-N
rxn:5:193711:226644:226750,COc1ccc(C(F)(F)F)cc1-c1ccccc1C=C1SC(=S)N(c2ccc(-c3cncc(N4CCOCC4)c3)cc2)C1=O,RFUCZYGAGYWLDR-UHFFFAOYSA-N
rxn:5:193748:228165:225515,CCOc1ccc(F)c(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)c(C(=O)N3CCCC(C)C3)c2)c1,JWGJQQVQVOZHJO-UHFFFAOYSA-N
rxn:5:193749:226064:227552,CC1CCCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccccc1CC(F)(F)F,FHRFJFBWIRXAFN-UHFFFAOYSA-N
rxn:5:193749:226329:226925,Cc1cc(C2CC2)cc(-c2ccc(-c3ccc(C4(C#N)CC4)c(F)c3)cc2C(=O)N2CCCCC2C)c1C,YBJSSEHYUUAUSN-UHFFFAOYSA-N
rxn:5:193750:226027:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc2C(=O)N2CCC(C)CC2)c1,XBNMCACXTFDFRJ-UHFFFAOYSA-N
rxn:5:193750:226469:226739,CC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-],NIDAQSWKXCLESE-UHFFFAOYSA-N
rxn:5:193751:228393:226898,COc1c(F)cc(F)cc1-c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C)cc1C(=O)N1CCCC(C)C1,VXYKHTBYOYCZLX-UHFFFAOYSA-N
rxn:5:193754:225871:225871,CC1CCN(C(=O)c2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2-c2cccc(N3C(=O)C=CC3=O)c2)CC1,AGQMMTIPNRWAKA-UHFFFAOYSA-N
rxn:5:193807:223130:226464,COc1ccc2c(c1-c1cccc(CN3CCC(C)CC3)c1-c1ccc(CN3CC(O)C3)cc1)OCCO2,OKFJZMWVXBOKCS-UHFFFAOYSA-N
rxn:5:193807:226464:223130,COc1ccc2c(c1-c1c(CN3CCC(C)CC3)cccc1-c1ccc(CN3CC(O)C3)cc1)OCCO2,HMMVPPYORDOYEK-UHFFFAOYSA-N
rxn:5:193808:226464:223130,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CC(O)C4)cc3)c(CN3CCC(C)CC3)c1)OCCO2,KFRWIHVSHFVKAY-UHFFFAOYSA-N
rxn:5:193809:222985:226778,COc1cc(-c2cc(-c3ccc(C4CCCNC4)nc3C)ccc2CN2CCC(C)CC2)c(F)c(F)c1OC,LKQXHTPHGXEMSB-UHFFFAOYSA-N
rxn:5:193809:226464:226060,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(-c3cc(C4CC4)cc(C4CC4)c3)c1)OCCO2,BDYFYIHYBRBPRH-UHFFFAOYSA-N
rxn:5:193866:226590:225451,O=C1CCN(C2(c3ccc(-c4ccc(OC5CCOC5)nc4)c(-c4ccc(SC5CCCCC5)cc4)c3)CC2)CC1,WZRDYUNUPRMLST-UHFFFAOYSA-N
rxn:5:193868:226041:223189,CC1CN(C(=O)c2cc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2-c2ccc(NS(C)(=O)=O)cc2F)CC(C)O1,UUGIEIPKVSIRLP-UHFFFAOYSA-N
rxn:5:193868:227515:226588,CC(C)Oc1cnc(F)c(-c2ccc(-c3cc(OC4CCC4)ncc3F)c(C(=O)N3CC(C)OC(C)C3)c2)c1,HNDMMMRWYOLLDC-UHFFFAOYSA-N
rxn:5:193869:227349:225988,COc1cc(C)cc(-c2cc(C)c(-c3c(F)cc(C4OCCO4)cc3F)cc2S(=O)(=O)N2CCCCC2)c1OC,ZOSVCBQYLXSFFH-UHFFFAOYSA-N
rxn:5:193870:226686:223439,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C(F)(F)F)[nH]n2)cc1-c1c(C)cnn1C1CCCCO1,UAMICNUUKQMAPR-UHFFFAOYSA-N
rxn:5:193870:226836:228195,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(C(C)(C)C)nc2C)cc1-c1cn(C(C)C)nc1C(F)(F)F,UZGYKGJOWJFGDR-UHFFFAOYSA-N
rxn:5:193870:228406:226145,COc1ccc(F)c(-c2cc(-c3ccc(OC4CCCC4)cc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1F,JSLOWZTXWCESCE-UHFFFAOYSA-N
rxn:5:193871:223006:227541,CCOc1cc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(F)c(C3CCNCC3)c2)cc1F,OGVYOQSVVYMYSZ-UHFFFAOYSA-N
rxn:5:193932:227829:226901,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccccc3C3CCC3)c2)C1,FDVVMEYYUWKNPQ-UHFFFAOYSA-N
rxn:5:193967:222981:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1CN1CCC2(CC1)OCCO2,YJMMITJQUCOKCI-UHFFFAOYSA-N
rxn:5:193967:226971:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,JVUALSAULMFGKZ-UHFFFAOYSA-N
rxn:5:193967:226971:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,FFBUZWBRCUOUKG-UHFFFAOYSA-N
rxn:5:193967:226971:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,OOEYBXSVQDCSOV-UHFFFAOYSA-N
rxn:5:193967:227331:228157,COc1ccc(-c2cc(-c3c(F)cccc3OC(C)C)ccc2CN2CCC3(CC2)OCCO3)c(OC)c1,PDFZAKDUCCXDDK-UHFFFAOYSA-N
rxn:5:193967:227767:228239,CCn1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C)c(OC)nc3C)c2)c(C(F)(F)F)n1,PFDURFAKOXSVKE-UHFFFAOYSA-N
rxn:5:193967:227975:228200,C[Si](C)(C)c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccnn3C3CCCC3)c2)c1,HLWJWDGDNYZRME-UHFFFAOYSA-N
rxn:5:193967:228688:222960,CCOc1cnccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cc(C)cc(C3CCNCC3)c2)c1,MIUAWBKVGNUJNW-UHFFFAOYSA-N
rxn:5:193967:228775:225498,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C4CCCCC4)ccc3F)c2)cc1F,XONPGFBENQRYPM-UHFFFAOYSA-N
rxn:5:193967:228866:223389,COCc1noc(C)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2c(C)n[nH]c2C(F)(F)F)c1,ZJOWXLKMERICAC-UHFFFAOYSA-N
rxn:5:193967:229225:223002,CCn1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(C4CCNCC4)cc3F)c2)cn1,WDRNHWHWAUEIED-UHFFFAOYSA-N
rxn:5:193968:223063:227668,COc1c(F)cc(-c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2CN2CCC3(CC2)OCCO3)c(C)c1F,HZTPKZJVBQZJNA-UHFFFAOYSA-N
rxn:5:193968:223148:227325,CC(C)(C)Oc1ccc(-c2ccc(-c3ccccc3C3CNCCO3)cc2CN2CCC3(CC2)OCCO3)cn1,CJXNZMNSHIUVMT-UHFFFAOYSA-N
rxn:5:193968:225440:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cc2CN2CCC3(CC2)OCCO3)c1,YSFWBZIUJDJWOO-UHFFFAOYSA-N
rxn:5:193968:227047:227069,COc1ccc(-c2ccc(-c3cccc(SC4CCC4)c3)cc2CN2CCC3(CC2)OCCO3)c(C(C)C)c1,JQPNTEFVTIVPPN-UHFFFAOYSA-N
rxn:5:193968:227830:227344,CC(C)Oc1ccc(-c2ccc(-c3ccc(C4(C)CC4)cc3)cc2CN2CCC3(CC2)OCCO3)cc1F,QAYPSRVJTHZUPG-UHFFFAOYSA-N
rxn:5:193968:228127:225447,COc1cccc(C#N)c1-c1ccc(-c2ccc(OC3CCCCC3)cc2)c(CN2CCC3(CC2)OCCO3)c1,JDFRIWYLOLQPKY-UHFFFAOYSA-N
rxn:5:193968:228186:223139,COc1c(SC)cccc1-c1ccc(-c2ccc(C3CCNCC3)nc2)c(CN2CCC3(CC2)OCCO3)c1,ZVCJQSGBAYKMLF-UHFFFAOYSA-N
rxn:5:193972:223458:225832,Cc1cc(-c2c[nH]nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)nn(C2CCCCO2)c1C,SRMXPORWQDUKPZ-UHFFFAOYSA-N
rxn:5:193972:225795:225939,COc1cc(-n2cccn2)ccc1-c1cc(C)c(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc1S(=O)(=O)N1CCCCCC1,KANXZBUJSYVKOW-UHFFFAOYSA-N
rxn:5:193972:226573:229048,Cc1cc(-c2cnc(OC(C)(C)C)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCC2,SQTKYTUMVWBVIO-UHFFFAOYSA-N
rxn:5:193972:226679:228518,CC#Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cnc(N4CCCC4)cc3F)cc2C)cc1,MFYLIOAJGDEIEM-UHFFFAOYSA-N
rxn:5:193972:226835:228867,CCc1nc(OC)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(C(F)(F)F)nn3C(C)C)cc2C)s1,YHVXLZSVDIRKDD-UHFFFAOYSA-N
rxn:5:193972:228454:223389,COc1cc(-c2cc(C)c(-c3c(C)n[nH]c3C(F)(F)F)cc2S(=O)(=O)N2CCCCCC2)c(OC)nn1,BLNKABZAUYMUBZ-UHFFFAOYSA-N
rxn:5:193972:228714:222982,Cc1cc(-c2cnc(C#N)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(CN2CC[C@@H](O)C2)cc1,PAVLDUXYEWTYMJ-HHHXNRCGSA-N
rxn:5:194058:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1c(C)nn(C2CCCCO2)c1C,NJTBQXLJNQETRH-UHFFFAOYSA-M
rxn:5:194397:225446:227668,COc1c(F)cc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cc(C)cc(OC4CCCC4)c3)c2)c(C)c1F,DMCOYFVNFFESPO-UHFFFAOYSA-N
rxn:5:194397:226059:226901,CC(C)c1ccc(-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2C(=O)N2CC3CC3C2)c(C(C)C)c1,FSTJANPBPOKLOU-UHFFFAOYSA-N
rxn:5:194522:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cc(C(F)(F)F)nn2C(C)C)ccc2c1CCN2CC(C)C,HXWPRACJRIMPMF-UHFFFAOYSA-N
rxn:5:194688:223130:226469,COc1cc(-c2ccc3c(c2)N(C)C(=O)CO3)cc2c1OCC(=O)N(c1ccc(-c3ccc(CN4CC(O)C4)cc3)cc1)C2,IGYJZOYIVAMJPC-UHFFFAOYSA-N
rxn:5:194688:226395:226679,COc1cc(-c2cnc(N3CCCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCCCC4)c3)cc1)C2,PFEBXIIOLDQNIG-UHFFFAOYSA-N
rxn:5:194733:223313:226900,O=C(c1cc(-c2ccc(C3(O)CC3)cc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,QABCLHKQJRRNFX-UHFFFAOYSA-N
rxn:5:194733:228619:228417,CCc1cc(-c2ccc(-c3ccc(F)c(C(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,OAYPACQXWWZXKP-UHFFFAOYSA-N
rxn:5:194733:228744:227665,Cc1cc(-c2ccc(-c3ccc(F)c(C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc1C(F)(F)F,DNXPCIWVZHTDHG-UHFFFAOYSA-N
rxn:5:194733:228981:226901,CCc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,MTWZVXRKDVHYTM-UHFFFAOYSA-N
rxn:5:194791:223200:223141,O=C1C2C(c3ccc(-c4cncc(C5CCNCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(C2CCNC2)cc1,UMFGXLUXCZNPAK-UHFFFAOYSA-N
rxn:5:194792:226147:225400,Cc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6c(C)cc(OC(C)C)cc6C)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1-c1ccccc1,HNUPBKCWJFMKPE-UHFFFAOYSA-N
rxn:5:194792:227739:227740,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cnc(C(F)(F)F)c(C)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc(C(F)(F)F)n1,IEUMNAHAJCURSM-UHFFFAOYSA-N
rxn:5:194792:228195:227018,Cc1nn(C(C)(C)C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C(C)(C)C#N)cc5)cc4)C(=O)C23)cc1,BGLVTSONUIGBGH-UHFFFAOYSA-N
rxn:5:194792:228805:228573,CSc1cccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C#N)cc6C)cc5)C(=O)C34)cc2)c1F,CQUOPFORKPUUSJ-UHFFFAOYSA-N
rxn:5:196408:223064:223061,Fc1cnc(C2CCNCC2)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2F)c1,GIWBGALFLCHVLR-UHFFFAOYSA-N
rxn:5:196533:226901:225464,CC1CCCN(c2cccc(C3CC(=O)N(c4ccc(-c5cccc(S(F)(F)(F)(F)F)c5)cc4)C3=O)c2)C1,OKSFVODPFBUVQF-UHFFFAOYSA-N
rxn:5:196533:226901:225871,O=C1C=CC(=O)N1c1cccc(C2CC(=O)N(c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)cc3)C2=O)c1,XXQLKCDRUUDNNA-UHFFFAOYSA-N
rxn:5:196620:226158:225943,O=C(c1ccc(-c2ccc(N3CCCC3=O)c(-c3ccccc3N3CCCCC3)c2)s1)N1CCOCC1,BRGYSCBDORLTIG-UHFFFAOYSA-N
rxn:5:196791:226644:225982,O=C1COCCN1c1cccc(-c2cncc(N3CCOCC3)c2)c1-c1cnc(N2CCOCC2)cc1F,JGPAVLOPOIAKPE-UHFFFAOYSA-N
rxn:5:196791:227404:225616,O=C(c1ccccc1-c1c(-c2cc(N3CCCCC3)cs2)cccc1N1CCOCC1=O)N1CCCC1,YJUDTHMXHXLBJP-UHFFFAOYSA-N
rxn:5:196792:226573:226835,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)cc1N1CCOCC1=O,NTRHNYVOMNPJOZ-UHFFFAOYSA-N
rxn:5:196794:223065:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCNCC5)cc4F)cc3N3CCOCC3=O)c2)CC1,OJOIXHODQFDUPV-UHFFFAOYSA-N
rxn:5:196794:225943:226915,O=C(c1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3)c(N3CCOCC3=O)c2)s1)N1CCOCC1,PKYKDYMSCXVNSR-UHFFFAOYSA-N
rxn:5:196873:225982:225976,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,FPYLPELEORLLLD-UHFFFAOYSA-N
rxn:5:196918:226571:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cnn(CC3CCOCC3)c2)cccc1N1CCCCC1=O,DDSVYECPHZPXBW-UHFFFAOYSA-N
rxn:5:196918:227611:225661,Cc1cc(N2CCOCC2)ccc1-c1c(-c2ccnn2C2CCCCO2)cccc1N1CCCCC1=O,COZANLJNBMFDPC-UHFFFAOYSA-N
rxn:5:196923:222990:226901,O=C1CCCCN1c1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1,LEUJXUNIUHFPLC-UHFFFAOYSA-N
rxn:5:196979:225871:222957,Cc1cc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc(N3CCCCC3)c2)cc(C2CCCNC2)c1,HHGZRUAJKVMGBN-UHFFFAOYSA-N
rxn:5:197526:226746:226652,CCc1cnc(C(F)(F)F)cc1-c1ccc2c(c1-c1cc(C)nn1C1CCCCO1)C(=O)CN2C(C)=O,HDBKAKKIRJKIOC-UHFFFAOYSA-N
rxn:5:197876:223001:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCNC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,RGRNAJFRRHSZLX-UHFFFAOYSA-N
rxn:5:197876:223001:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2cc(C4CCCNC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YIXIMFJQMZVHDA-UHFFFAOYSA-N
rxn:5:197876:223065:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCNCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,GOPSAPGJUZCFRW-UHFFFAOYSA-N
rxn:5:197876:223065:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(N4CCNCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,CJFDFTAWYBSQKX-UHFFFAOYSA-N
rxn:5:197876:223082:228344,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2ccc(SC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,IAMSNWZAHUZGHB-UHFFFAOYSA-N
rxn:5:197876:223082:228419,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(F)c(SC)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,VEPNXZJBSREBES-UHFFFAOYSA-N
rxn:5:197876:223082:228808,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(F)cc(SC)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,MVSHXGTXWNRTEP-UHFFFAOYSA-N
rxn:5:197876:225602:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JLKUZARMSWGIKI-UHFFFAOYSA-N
rxn:5:197876:226048:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3c(F)ccc(F)c3OC(F)(F)F)cc2S1(=O)=O,KIVANNZYLZJCSO-UHFFFAOYSA-N
rxn:5:197876:226068:223202,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3(O)CCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,OHUUPOJATROIOS-UHFFFAOYSA-N
rxn:5:197876:226068:223203,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc(C3(O)CCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,BCFHKIDHABNPOW-UHFFFAOYSA-N
rxn:5:197876:226068:227018,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,RIESPGVJXUALSP-UHFFFAOYSA-N
rxn:5:197876:226068:227299,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(F)cc(CN(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WCKUYGOGADUQKN-UHFFFAOYSA-N
rxn:5:197876:226068:227892,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(CN(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,FBYDNOUJLPKMHL-UHFFFAOYSA-N
rxn:5:197876:226068:228206,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(F)cc(N(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,KCIXODXRRKBAFV-UHFFFAOYSA-N
rxn:5:197876:226346:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1cc(C)cc(OC(C)C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,RYOBFRXQGOEBSA-UHFFFAOYSA-N
rxn:5:197876:226589:227045,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FVONATLRLPLRJJ-UHFFFAOYSA-N
rxn:5:197876:226589:227052,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YRPBMCFTBGOXFR-UHFFFAOYSA-N
rxn:5:197876:226589:228199,Cc1nn(C2CCC2)cc1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,LNFWZNGRDHTFFB-UHFFFAOYSA-N
rxn:5:197876:226658:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(N5CCCC5)nc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,PJGRYQYBMGEFOT-UHFFFAOYSA-N
rxn:5:197876:226664:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(N4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,AVWPIRBCERFPKR-UHFFFAOYSA-N
rxn:5:197876:226664:227830,CC1(c2ccc(-c3cc4c(cc3-c3cc(N5CCCC5)ncc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,WXGCQZQATYVRED-UHFFFAOYSA-N
rxn:5:197876:226837:229092,Cc1nn(C)c(C)c1-c1cc2c(cc1-c1c(C)nn(CC(F)(F)F)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,ACYMHHDYAVETRP-UHFFFAOYSA-N
rxn:5:197876:226911:227299,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1cc(F)cc(CN(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,UESQMNBUGOBVNJ-UHFFFAOYSA-N
rxn:5:197876:227076:227402,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)nc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QOYIRONZDUNMKZ-UHFFFAOYSA-N
rxn:5:197876:227079:226181,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WWHMCDLPYUFIDE-UHFFFAOYSA-N
rxn:5:197876:227309:227589,CCC(C)c1cc(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,CTQIYGGEBSOVGM-UHFFFAOYSA-N
rxn:5:197876:227311:227589,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,CEVOXHGPPFCFCW-UHFFFAOYSA-N
rxn:5:197876:227319:226917,Cc1cc(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,WWKZOQTXIIJWPO-UHFFFAOYSA-N
rxn:5:197876:227409:225439,CC(c1cccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,PEZZSESKPXJNFF-UHFFFAOYSA-N
rxn:5:197876:227503:227046,Cc1cc(OC(C)C)cc(-c2cc3c(cc2-c2cc(OC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HAWSNVQGNQQWFA-UHFFFAOYSA-N
rxn:5:197876:227515:226973,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VYYIXDFFFRIWQR-UHFFFAOYSA-N
rxn:5:197876:227515:227045,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZQHLQSIONYALJX-UHFFFAOYSA-N
rxn:5:197876:227515:227052,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VFHZZWSYTNZQJW-UHFFFAOYSA-N
rxn:5:197876:227525:226918,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3=CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,BTANTALNZQPQOW-UHFFFAOYSA-N
rxn:5:197876:227525:227045,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,KRTKXAACYGERNA-UHFFFAOYSA-N
rxn:5:197876:227525:227052,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,PZZPLYODUUCRSQ-UHFFFAOYSA-N
rxn:5:197876:227706:226143,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C)c(OC(C)C)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DPSKDWXQLMVMGH-UHFFFAOYSA-N
rxn:5:197876:227706:226349,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(F)cc(OC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DJIWGWQMYDBWST-UHFFFAOYSA-N
rxn:5:197876:227706:226973,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AJZIQWQYPQZHKU-UHFFFAOYSA-N
rxn:5:197876:227706:227060,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(C)c(OC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BUSQKKOUHFOCMX-UHFFFAOYSA-N
rxn:5:197876:227736:226835,Cc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,DKGJFSPQCMCDHR-UHFFFAOYSA-N
rxn:5:197876:227766:228499,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C)C(=O)N(C(C)(C)C)S2(=O)=O,XAJVDFRSTXYCDO-UHFFFAOYSA-N
rxn:5:197876:228419:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(F)c(SC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,IKMYOKWBYKFNEH-UHFFFAOYSA-N
rxn:5:197876:228811:223082,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(SC)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,AUYMVSWEHPLVPQ-UHFFFAOYSA-N
rxn:5:197876:229168:226054,COc1nc(C)sc1-c1cc2c(cc1-c1cnc(C(F)(F)C(F)(F)F)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,UXLVHPAATWFCCR-UHFFFAOYSA-N
rxn:5:198559:225832:226054,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C(c1cnc(C(F)(F)C(F)(F)F)nc1)=NS2(=O)=O,IFDCYYLIYJCJLN-UHFFFAOYSA-N
rxn:4:173389:224011,CCOC(=O)CCc1ccc(OC)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,RCQYZKGGRHPCGG-UHFFFAOYSA-N
rxn:4:173423:224323,Cc1cc(-c2ccc(OCC(F)(F)F)c(OCC(C)C)c2)cc(C)c1S(=O)(=O)N1CCCC1,AGOPMEHAHKKOKT-UHFFFAOYSA-N
rxn:4:173572:223785,CCN1CCN(CCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2Cl)CC1,JSZQGGWXDYFHQR-UHFFFAOYSA-N
rxn:4:173786:223954,COC(=O)c1c(F)cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1OCC(F)F,VLGKXBJWQSNOAY-UHFFFAOYSA-N
rxn:4:173798:222589,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,SSTCBUSUUPMFQL-UHFFFAOYSA-N
rxn:4:173802:222990,O=S(=O)(OC(c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1)C(F)(F)F)C(F)(F)F,QLFAMPUPLKSPJB-UHFFFAOYSA-N
rxn:4:173839:223696,COC(=O)CC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,WDIFQBDAXWPIBE-UHFFFAOYSA-N
rxn:4:174060:224360,COC(=O)c1ccc(-c2ccc(OC[C@@H]3C[C@H]3C(=O)OC)cc2)n1C(=O)OC(C)(C)C,QPUDFYWKICNPJY-DOTOQJQBSA-N
rxn:4:174420:222711,COc1ccc(-c2ccc(OCC3CCCCC3)cc2OC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C,JJOQRWRMANKVJL-UHFFFAOYSA-N
rxn:4:174663:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)C1,OKALAAVVOWMLOR-OOARLUAISA-N
rxn:4:174663:224866,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2OCc2ccccc2)cc1,UMPVFKKODOGEHL-JKUFBEDSSA-N
rxn:4:174663:225392,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(Cc3ccccc3)c2)cc1,JDUHDUJDPRLWAT-BUCKXXSGSA-N
rxn:4:174663:225480,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(-c3ccc(F)cc3)cc2)cc1,WNTHRRNXTBDRFT-QNEAORKJSA-N
rxn:4:174663:226103,CCCOc1c(C)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C,YSNOGILMXKPBII-BBSVBJGBSA-N
rxn:4:174663:226533,CCOC(=O)c1cc(F)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,OYWDNGDXKKADTO-FQEXLZSCSA-N
rxn:4:174663:226990,CN(C)CCc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,VEWLVMQZSLNKSS-OTLVMJKUSA-N
rxn:4:174663:227142,COc1ccc2sc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2c1,BBZJFYFCAGOBIY-LQTLMSLGSA-N
rxn:4:174663:227155,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc2c1cnn2C,IULXITSIMPWWOK-FQEXLZSCSA-N
rxn:4:174663:227696,COC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(F)n1,KMXITLRYFCRBEO-HHMMATJQSA-N
rxn:4:174663:228561,CSCc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,WNNAHQZKRUBKRJ-MCPNDBPUSA-N
rxn:4:174663:228644,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc(C)c1F,MVAYILLRPUYTKW-OUYRWIGOSA-N
rxn:4:174663:228722,Cc1c(C#N)cncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,XNTBFXKOTYHEBV-KDFQQASRSA-N
rxn:4:174663:228789,COc1cc(F)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,QNAQXBDBRGVPFY-MWUKLDBESA-N
rxn:4:174663:228991,CCCc1sccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,QNCRPLPVJGRMJV-MWUKLDBESA-N
rxn:4:174663:229071,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccn1,YOFIGXMLALEVLJ-IJSUORRQSA-N
rxn:4:174663:229211,Cc1ncccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,PVUFBEDWWKVLEB-PDMYYMTQSA-N
rxn:4:174700:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCC(=O)OC)cc3F)ccc2OC)CC1,QEILRHZNMPMFAP-UHFFFAOYSA-N
rxn:4:175343:223777,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c1,NGIDPXPRNFPIBS-UHFFFAOYSA-N
rxn:4:175505:223743,COc1ccc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)cc1COC1CCC1,TVTXUFIFWQEGNS-UHFFFAOYSA-N
rxn:4:175704:223712,COC(=O)CC1CC(c2cccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)c2)C1,OYQHPRWLCIHBSH-UHFFFAOYSA-N
rxn:4:175729:223831,COc1ccc(-c2ccc(OCCC3OCCCO3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,WGCJJVSXFMTQFT-UHFFFAOYSA-N
rxn:4:175827:224169,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1cccc(OCCCN2CCOCC2)c1,BWLCWJXPFHYXTQ-UHFFFAOYSA-N
rxn:4:175874:223728,CCCCCC1CCC(c2ccc(-c3ccc(CCOC4CCCCO4)c(Cl)c3)c(F)c2)CC1,RZBADNOTTXKMBG-UHFFFAOYSA-N
rxn:4:176055:223670,Cc1ccc(C)c(CCC(=O)c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,XJUHYHQYOLZVGI-UHFFFAOYSA-N
rxn:4:176316:227064,CC(C)(C)Oc1ccccc1-c1ccc(OCC(F)(F)F)c(C2C3CC4CC(C3)CC2C4)c1,BBTDXYTVINXCDG-UHFFFAOYSA-N
rxn:4:176317:227811,CC(C)Cc1ccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,DYBDOHQJOJXPIV-UHFFFAOYSA-N
rxn:4:176418:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)c(Cl)c2)CC1,GDNYWKJJCDOBIR-UHFFFAOYSA-N
rxn:4:176727:223894,COC(=O)c1cc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc(F)c1C(F)(F)F,PGYBFUSUAMRQBG-UHFFFAOYSA-N
rxn:4:177199:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(F)c3C(=O)CC3CC3)c(F)c2)CC1,ZDHQODKZANBLGU-UHFFFAOYSA-N
rxn:4:177536:223650,CC(C)C(=O)c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F,NHGFUCSTTQYTFF-UHFFFAOYSA-N
rxn:4:177737:223638,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,HPKXSJFATOHRAD-UHFFFAOYSA-N
rxn:4:179226:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(OC4CC4)ccc3F)cc(F)c2F)CC1,IWFLMWIDRQLXOU-UHFFFAOYSA-N
rxn:4:179492:223588,Cc1cc(-c2ccc(C(F)(F)F)cc2C(C)(F)F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GVOQAFWHHKASCC-UHFFFAOYSA-N
rxn:4:179938:223521,COC(C)(C)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,FTWPVSLTTZWIOH-UHFFFAOYSA-N
rxn:4:180237:223504,Cc1cc(F)cc(C(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,DMHMQPNWSAEMBZ-UHFFFAOYSA-N
rxn:4:180484:223474,O=C(c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)C1CCCCCC1,LXMOAXSVSHFXJK-UHFFFAOYSA-N
rxn:4:180678:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)C(=O)OC(C(=O)OC)C3)CC1,NTMFEBKCEUFUIX-UHFFFAOYSA-N
rxn:4:180681:223696,COC(=O)C1COc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc2C1=O,UQJUUALGNZDDIS-UHFFFAOYSA-N
rxn:4:180765:223637,COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc1)C2=O,WUISPCIPEJIPFV-UHFFFAOYSA-N
rxn:4:180815:225107,CCN(CC)C(=O)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1F,NICFYAFAPNNERB-UHFFFAOYSA-N
rxn:4:181230:223531,CC(=O)c1cc(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1Cl,QCUSXZRSXBKUKA-UHFFFAOYSA-N
rxn:4:182374:223474,CC(=O)c1cc2c(cc1-c1ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c1)C(C)(C)CCC2(C)C,KYSIUSYTQDPOAY-UHFFFAOYSA-N
rxn:4:183214:223823,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c2c1OCCC2=O,GIUQCGOMBIWWEB-UHFFFAOYSA-N
rxn:4:183272:227530,COC(=O)c1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,JRSHXHZPAFGYJR-UHFFFAOYSA-N
rxn:4:183274:228151,COC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,OUDWSFBXABSDRL-UHFFFAOYSA-N
rxn:4:183765:224247,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(C)CC3)cc2F)C1,LUWPLWYTYSKCDK-UHFFFAOYSA-N
rxn:4:183771:223562,CCN(Cc1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)c1ccc(OC(F)(F)F)cc1,GUTGRHSXGMVVGV-UHFFFAOYSA-N
rxn:4:183798:222959,COCCOc1cc(-c2ccc(C3CCNCC3)c(C)c2)ccc1C(=O)N1CCOCC1,GDMGBAXKISKUSH-UHFFFAOYSA-N
rxn:4:183808:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)CC1,YIBWZWKILSNWCH-UHFFFAOYSA-N
rxn:4:183808:227760,FC1(F)CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(Cl)ccc2C(F)(F)F)CC1,ITBNSEPASAENES-UHFFFAOYSA-N
rxn:4:183865:224073,CC[Si](CC)(CC)c1cc2cccc(-c3ccccc3OCC3CCCN(CC(=O)OC)C3)c2s1,XEMOWKMDGBZKDW-UHFFFAOYSA-N
rxn:4:183865:225569,COC(=O)CN1CCCC(COc2ccccc2-c2ccc(C3CC3)c(C(=O)OC)c2)C1,MPWOIBMNUMGTPQ-UHFFFAOYSA-N
rxn:4:183876:224268,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)C1,VHGULOAXGIOBMZ-UHFFFAOYSA-N
rxn:4:183882:223761,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,BNFLOFIABVTAIP-UHFFFAOYSA-N
rxn:4:183890:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(F)c(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,WOICJVCSWUENPZ-UHFFFAOYSA-N
rxn:4:183906:226766,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C)ccc1OC(F)(F)F,SOGOCGPJHCIQEA-UHFFFAOYSA-N
rxn:4:183943:224269,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2)C1,SNJIASYMHSSLCX-UHFFFAOYSA-N
rxn:4:183944:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)c1,ODOXISDTGXLCKD-UHFFFAOYSA-N
rxn:4:183959:223503,Cc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,KCXHNYFXHNUVNI-UHFFFAOYSA-N
rxn:4:183963:223648,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LITNBZIXTLGWJR-UHFFFAOYSA-N
rxn:4:183964:224290,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,IPMYQLKQXGBLEZ-UHFFFAOYSA-N
rxn:4:184013:223602,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)CC1,VGXWUOOOAMELEG-UHFFFAOYSA-N
rxn:4:184013:224270,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cc2)CC1,PDNWRXVIKMEZOL-UHFFFAOYSA-N
rxn:4:184013:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,RKRLYMXNWAOIRJ-UHFFFAOYSA-N
rxn:4:184014:227091,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cncc(C4CCCC4)c3)c2)CC1,YBBUBNDVGNAZGO-UHFFFAOYSA-N
rxn:4:184016:223498,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YNVVJZFEFJMXNJ-UHFFFAOYSA-N
rxn:4:184016:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1COC1CCN(C(=O)OC(C)(C)C)CC1,HMKKPVNLCREEOY-UHFFFAOYSA-N
rxn:4:184018:227403,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(N3CCCCC3)s2)CC1,ILKBRVIKTVPJQO-UHFFFAOYSA-N
rxn:4:184022:223577,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YNDCSNMGDFUITR-UHFFFAOYSA-N
rxn:4:184022:225877,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccc(Cl)cc2N2CCOCC2)CC1,GURWNNCPCSCMCU-UHFFFAOYSA-N
rxn:4:184024:227246,CCCOc1cccc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1F,KYUBDKOXSMWUGR-UHFFFAOYSA-N
rxn:4:184025:225517,CN(C)CCCOc1cccc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KHIZIRQFISNGBH-UHFFFAOYSA-N
rxn:4:184029:225264,COC(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1C(=O)OC,GRJJMMVGTQVLDT-UHFFFAOYSA-N
rxn:4:184092:223774,COc1cccc2c1cc(-c1ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o1)n2C(=O)OC(C)(C)C,KVFDABRZDREUCS-UHFFFAOYSA-N
rxn:4:184095:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1,RZANXGCHXYUKQI-XMMPIXPASA-N
rxn:4:184216:223595,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c3ccccc3c2)CC1,VEGWESBQSFOOPB-UHFFFAOYSA-N
rxn:4:184561:223776,CCOC(=O)c1cc(C#N)c(OC)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,JEPJAIZHYUHPPU-UHFFFAOYSA-N
rxn:4:184775:224375,O=C(CCc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1)ON1C(=O)CCC1=O,NPJMAEZUIYLILW-UHFFFAOYSA-N
rxn:4:184775:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(CCC(=O)ON4C(=O)CCC4=O)cc3)cc2)CC1,OKZMDTJGUYJSSJ-UHFFFAOYSA-N
rxn:4:184918:224291,Fc1cc(-c2ccccc2OCCCN2CCC(F)(F)C2)ccc1OCCN1CCOCC1,KGEDCCMWQKGVOM-UHFFFAOYSA-N
rxn:4:184958:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cccc(F)c1OCCCN1CCOCC1,LXAAIROAOWHFKR-UHFFFAOYSA-N
rxn:4:184958:223840,COc1ccc(-c2cccc(F)c2OCCCN2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,ZQWZUTIZAOUMPG-UHFFFAOYSA-N
rxn:4:184998:223592,CCOC(=O)c1c(-c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)c2)noc1C(C)C,WQOHIGYBAGTGOI-UHFFFAOYSA-N
rxn:4:185045:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3Cl)cc2Cl)CC1,OTQHGAQXVSLLRA-UHFFFAOYSA-N
rxn:4:185100:223521,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NPLHYYVPIMQWKV-UHFFFAOYSA-N
rxn:4:185108:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,RDPUKAVUXXFVIG-UHFFFAOYSA-N
rxn:4:185133:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(CC4CN(C(=O)OC(C)(C)C)C4)cc3)ccc2F)CC1,TXUQKLZSDYQUHB-UHFFFAOYSA-N
rxn:4:185149:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,KOORIJQTXMZLOB-UHFFFAOYSA-N
rxn:4:185154:224064,COC(=O)c1ccc(-c2cc(C3CC3)cc(N3CCCCC3C)c2)cc1CN1CCCC(C(F)(F)F)C1,FMLVAASCDOISFV-UHFFFAOYSA-N
rxn:4:185162:222947,CC(C)(C)OC(=O)N1CC(c2cc(C(F)(F)F)ccc2-c2cnc(N3CCCC(O)C3)nc2Cl)C1,NLMNPZKTRZHEJM-UHFFFAOYSA-N
rxn:4:185164:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3C(F)(F)F)cc2C1,SBNLCHUODCOPFG-UHFFFAOYSA-N
rxn:4:185164:224292,Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)ccc1S(=O)(=O)OCC(C)(C)C,MSEZZMXZBVPPSY-UHFFFAOYSA-N
rxn:4:185165:225233,CC1CCCN(c2cc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cnc2Cl)C1,JEPJQXLOWWZZNR-UHFFFAOYSA-N
rxn:4:185184:224318,CC1CCCCN1CCCOc1ccccc1-c1ccc(C(=O)N2CCN(C)CC2)c(F)c1,KMKSVJIRNIOONI-UHFFFAOYSA-N
rxn:4:185187:222589,COC1CCN(CCCc2ccccc2-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)CC1,UHZYYYNOUHOCSO-UHFFFAOYSA-N
rxn:4:185187:222742,COC1CCN(CCCc2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)CC1,NTZVWLMZZPTRQQ-UHFFFAOYSA-N
rxn:4:185193:223954,CC1CCN(CCCOc2c(F)cccc2-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)CC1,WMHAMWFPWPFNDM-UHFFFAOYSA-N
rxn:4:185207:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,VEVSQGBDIGYBQV-UHFFFAOYSA-N
rxn:4:185211:222522,COc1ccc(-c2cc(C(C)(C)C)c([N+](=O)[O-])cc2OCc2ccccc2)cc1S(=O)(=O)N1CCC(O)CC1,JVQQULMDXDJTIT-UHFFFAOYSA-N
rxn:4:185249:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(CN4CCCCC4C(F)(F)F)c(OC)c3)ccc2C)CC1,OEVCCJXSEAZUJX-UHFFFAOYSA-N
rxn:4:185260:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)C2)cc1,HASVXHYHWDTOLW-UHFFFAOYSA-N
rxn:4:185314:225218,CC1CCCN(c2ncc(-c3cccc(OC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)C1,PHRWUQFGZFCKOZ-UHFFFAOYSA-N
rxn:4:185319:225472,CC1CCCCN1c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)c1,MUUCWGWMEMVONR-UHFFFAOYSA-N
rxn:4:185324:223225,CCNC(=O)c1ccccc1-c1cc(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,QMNWQXGDSNQETQ-UHFFFAOYSA-N
rxn:4:185324:224720,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)CC1,NUDPFIHRPUXCQF-UHFFFAOYSA-N
rxn:4:185352:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)CC1,SEAHNSQYJYGVSP-UHFFFAOYSA-N
rxn:4:185352:223506,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XSOKRJRBJHRQBY-UHFFFAOYSA-N
rxn:4:185352:225557,COC(=O)C1(c2ccc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,GYZMQEUJAVYJHB-UHFFFAOYSA-N
rxn:4:185354:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,JTHNEQGWFLEFFA-UHFFFAOYSA-N
rxn:4:185354:226115,CC(C)CC(=O)c1cccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,HYROELZBQRKBII-UHFFFAOYSA-N
rxn:4:185379:223671,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,MYSRGNLKSJYBDU-UHFFFAOYSA-N
rxn:4:185381:223938,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1,SDTKKMHQHUHTSE-UHFFFAOYSA-N
rxn:4:185382:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(F)(F)F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1,CMJHYLYOCGFIHL-UHFFFAOYSA-N
rxn:4:185382:227667,CC(=O)c1ccc(F)c(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,WIYZUMLBTKWZQC-UHFFFAOYSA-N
rxn:4:185386:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)c(F)c2)CC1,DHERNAOXZRLEKZ-UHFFFAOYSA-N
rxn:4:185405:223818,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)C1,JIZNGRLSWAZFBA-UHFFFAOYSA-N
rxn:4:185409:223521,CC(c1cccc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OWUZOJGDJUJJEA-UHFFFAOYSA-N
rxn:4:185414:223889,Cc1cc(Cl)cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1OC1CCN(C(=O)OC(C)(C)C)CC1,AXFIKZYSCDNSMI-UHFFFAOYSA-N
rxn:4:185419:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccc3C3CC3)ccc2F)CC1,YFNDPYJBXKQNSP-UHFFFAOYSA-N
rxn:4:185420:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)cc3C3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1,FKTYBIKPAYMOFV-UHFFFAOYSA-N
rxn:4:185422:224235,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(F)c(F)cc3OCc3ccccc3)cc2C2CC2)C1,JUPAQIYSMBAIHE-UHFFFAOYSA-N
rxn:4:185422:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(C3CC3)c2)cc1C,LZSWHMIZDQONGB-UHFFFAOYSA-N
rxn:4:185423:223480,Cc1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LRHNGLMSNAMACF-UHFFFAOYSA-N
rxn:4:185423:224277,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,WXCRDTQROUFUAI-UHFFFAOYSA-N
rxn:4:185725:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(OCC(F)F)cc3[N+](=O)[O-])c2)CC1,KEAKQZLGANPOMS-UHFFFAOYSA-N
rxn:4:186022:223695,CCOC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(Cl)c([N+](=O)[O-])c1,CYDFUYJGTOHYGS-UHFFFAOYSA-N
rxn:4:186277:222542,COC(=O)Cc1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)ccc1S(N)(=O)=O,REQJAGALVBBDFM-UHFFFAOYSA-N
rxn:4:186291:223594,CN(C)C(=O)c1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC(F)(F)F,YCMFVAKDPNQDAG-UHFFFAOYSA-N
rxn:4:186338:223688,CCOC(=O)C1(c2cncc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OC)c2)CC1,UKGTZFPZSOXVMR-UHFFFAOYSA-N
rxn:4:186661:224750,COc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(Cl)c(C(=O)N2CCOCC2)c1,OXNWSFJXAZRMJH-UHFFFAOYSA-N
rxn:4:186661:224767,COc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc(C(=O)N2CCOCC2)c1F,OJTIYRILQKQOFY-UHFFFAOYSA-N
rxn:4:186663:224685,COc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)c1,YMWJPHAYBDOPLY-UHFFFAOYSA-N
rxn:4:186749:224977,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(N4CCCCC4)c(C#N)c3)c2)SC1=S,GSYHDTUASZNSSV-UHFFFAOYSA-N
rxn:4:186874:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(OCCN2CCOCC2)cc1F)N1CCC(O)CC1,CTIFXCSQMULIBI-UHFFFAOYSA-N
rxn:4:186922:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(OC(F)(F)F)c3)ccn2)CC1,CUXWADVDDZDBDR-UHFFFAOYSA-N
rxn:4:186922:225975,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2Cl)cc1OC(F)(F)F)N1CCOCC1,RBRYQDHZRBNGKQ-UHFFFAOYSA-N
rxn:4:187122:223608,CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,NFPRUOGTXCAEOD-UHFFFAOYSA-N
rxn:4:187204:224160,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2Cl)C1,BLBKGZUWDXETMM-UHFFFAOYSA-N
rxn:4:187210:224633,COC(=O)C1CCN(Cc2cc(F)ccc2-c2cc(CN3CCOCC3)ccc2OC)CC1,ACCHPIWRIWPQPI-UHFFFAOYSA-N
rxn:4:187219:224653,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccc2F)C1,GZCABACGQAJFPA-UHFFFAOYSA-N
rxn:4:187222:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)cc(F)c2F)CC1,UWVLFUMEEYQOOS-UHFFFAOYSA-N
rxn:4:187305:223926,COC1CCN(CCc2ccc(F)c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)CC1,NKHVNMWWVNPCRT-UHFFFAOYSA-N
rxn:4:187327:226561,COc1cc(OC)c(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)cc1OC,YONJYAOWFMLSCM-QGZVFWFLSA-N
rxn:4:187405:224619,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCCC2)c(F)c1,FDUDDJGOSQVAFU-UHFFFAOYSA-N
rxn:4:187413:223521,CC(c1cccc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JJLWAXAPVHMFRD-UHFFFAOYSA-N
rxn:4:187413:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)c(Cl)c2)CC1,GSANZVITTWGKHZ-UHFFFAOYSA-N
rxn:4:187444:224271,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1F,CURZFKRJFUZACV-UHFFFAOYSA-N
rxn:4:187488:223062,CCOc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCC(C)CC1,CUWYLJAVJBRUPX-UHFFFAOYSA-N
rxn:4:187488:223501,CCOc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,YGHDYDLGQWQZPB-UHFFFAOYSA-N
rxn:4:187488:223992,CCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,JEDRJCIVLYLOJQ-UHFFFAOYSA-N
rxn:4:187488:225226,CCOc1ccc(-c2cc(N3CCC(C)CC3)ncc2F)cc1S(=O)(=O)N1CCC(C)CC1,QTYSDPGCAUYJOE-UHFFFAOYSA-N
rxn:4:187489:226330,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C(C)N2CCCC2)s1,IKQFGLDCNSNWNG-UHFFFAOYSA-N
rxn:4:187492:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,JSWWXYLVHCBKDK-UHFFFAOYSA-N
rxn:4:187494:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)cn2)CC1,KJDHFKWARHHZNK-UHFFFAOYSA-N
rxn:4:187558:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2=O)cc1,RCAGESSOJTUCOC-UHFFFAOYSA-N
rxn:4:187570:224252,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,HDGXCYQBKLDEAX-UHFFFAOYSA-N
rxn:4:187573:223581,COC(=O)c1cccc2cc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,ASJGLJBNOYHWIF-UHFFFAOYSA-N
rxn:4:187573:225361,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cn(C4CCCC4)nc3C(F)(F)F)c2)CC1,CZNTUISMHBCTAD-UHFFFAOYSA-N
rxn:4:187575:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,LYRLQULKKIOBMI-UHFFFAOYSA-N
rxn:4:187580:222810,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)o1,IPQKIKPYOCTUIB-UHFFFAOYSA-N
rxn:4:187582:223683,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,YBUIXUOGDJJILO-UHFFFAOYSA-N
rxn:4:187584:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,DNFDACUJCGHDOP-UHFFFAOYSA-N
rxn:4:187587:226096,CC(C)CCOc1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,SGNXNFHKFLQKDR-UHFFFAOYSA-N
rxn:4:187587:226663,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(N4CCSCC4)nc3)cc2Cl)CC1,PUOXLZOKPNQUMG-UHFFFAOYSA-N
rxn:4:187589:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,MQSCXWYYPBUBFX-UHFFFAOYSA-N
rxn:4:187594:223818,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)C1,CFZAXQXWHJWBSG-UHFFFAOYSA-N
rxn:4:187595:224963,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cccc(COC4CCOCC4)c3)c2)CC1,OKZFDMNYFFKOGT-UHFFFAOYSA-N
rxn:4:187596:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,LYLRGFPTOGINBA-UHFFFAOYSA-N
rxn:4:187625:223894,CC1CCN(Cc2c(OC(C)C)cccc2-c2cccc(OCCCN3CCN(C)CC3)c2)CC1,LCQXLRHJHOUAAX-UHFFFAOYSA-N
rxn:4:187644:223150,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1ccnc(NCCN(C)C)c1,RDSUSYITXWRSRH-UHFFFAOYSA-N
rxn:4:187668:222504,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(F)c(C(=O)NCc3ccc(F)cc3)c2)cc1,QMGWVQKDOOVZCG-UHFFFAOYSA-N
rxn:4:187670:223491,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1,JZHWQRPVJMRQQM-UHFFFAOYSA-N
rxn:4:187673:223529,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,ZGCQTKPVBGDBMA-UHFFFAOYSA-N
rxn:4:187673:226715,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cnn(C(=O)OC(C)(C)C)c2)c1,MNCPMLYHMACEIO-UHFFFAOYSA-N
rxn:4:187673:227470,CCCOc1ncc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(C)n1,PUOBQAVARHUNQQ-UHFFFAOYSA-N
rxn:4:187822:222813,CC(C)(C)OC(=O)CN1Cc2cc(-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)ccc2C1=O,WLSIFXUQQDWFLC-UHFFFAOYSA-N
rxn:4:187862:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccccc2CCC(=O)N2C3C=CCC2CC3)cc1,UUIPQIGKWBCMPT-UHFFFAOYSA-N
rxn:4:187863:225344,COC1c2ccc(-c3cc(C(F)(F)F)cnc3OC(C)C)cc2CN1C(=O)OC(C)(C)C,QOANKPSVAAYWCD-UHFFFAOYSA-N
rxn:4:187944:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,DJROKATXEHRHGP-UHFFFAOYSA-N
rxn:4:187944:225533,CCN(CC)Cc1cc(F)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,PDAVSOYBVNFRJB-UHFFFAOYSA-N
rxn:4:187944:225709,CN(C)CCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cn1,CHLLILVYSFISIK-UHFFFAOYSA-N
rxn:4:187944:226229,COCCCOc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,LHBCQWXKGWZOQF-UHFFFAOYSA-N
rxn:4:187995:228653,CCc1cc(-c2cnn3c2CCCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,JLXDBWJHEFZAOI-UHFFFAOYSA-N
rxn:4:188333:223533,CCOC(=O)c1nc(C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)s1,WRGWYISBJZVNAG-UHFFFAOYSA-N
rxn:4:188453:223696,COC(=O)c1cc(F)cc([N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,HUUHLWKOXJPQPM-UHFFFAOYSA-N
rxn:4:188659:223786,Cc1cc([N+](=O)[O-])c(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1OC(F)F,SMIFPWHSQVCBHS-UHFFFAOYSA-N
rxn:4:188932:223997,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2cc(C)c(S(=O)(=O)N3CCOCC3)c(C)c2)c1,DVOVRNKWIRZKJQ-UHFFFAOYSA-N
rxn:4:189708:222426,COc1ccc(-c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cn2)cc1OC,WCTLIXQPDZLQQC-UHFFFAOYSA-N
rxn:4:189766:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3C(F)(F)F)c(F)c2)CC1,FSJNOZROBLWIOX-UHFFFAOYSA-N
rxn:4:189846:224754,O=C(CN1C(=O)CCCC1=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1,QURYVNCLBSUKQB-UHFFFAOYSA-N
rxn:4:189866:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,SZIZBQSWVNAZCU-UHFFFAOYSA-N
rxn:4:190005:223525,CN(C(=O)c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F)C1CCCC1,SBUUHVYOKUWJLM-UHFFFAOYSA-N
rxn:4:190025:224755,O=C1CCCCN1CS(=O)(=O)c1ccccc1-c1cc(C(=O)N2CCOCC2)ccc1F,LOJVINGJIIGCPO-UHFFFAOYSA-N
rxn:4:190217:224819,CCC(=O)C1CCCN(c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O,YOAXISJEPAMLQO-UHFFFAOYSA-N
rxn:4:190221:224120,COc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(C)c2)ccc1CN1CCC(F)(F)CC1,UDWPQDAXTPTALO-UHFFFAOYSA-N
rxn:4:190378:224246,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,GCLKADRENICTPF-UHFFFAOYSA-N
rxn:4:190378:224322,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,XUGLWNDVCPPLKP-UHFFFAOYSA-N
rxn:4:190823:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)CC1,ANGZIODWSVAKOO-UHFFFAOYSA-N
rxn:4:190850:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,IGORHUPOWYKASV-UHFFFAOYSA-N
rxn:4:191043:225296,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)ccc3C2=O)CC1,REPBRWPYCRQTAR-XYWHTSSQSA-N
rxn:4:191063:226541,COC(=O)c1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)cc1OC,ISZXXNNUBFLQFN-UHFFFAOYSA-N
rxn:4:191075:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc([C@@]45CN(Cc6ccccc6)C[C@@H]4S(=O)(=O)C5)cc3)cc2)CC1,NJRJAWHVMHONAB-KYJUHHDHSA-N
rxn:4:191099:227240,CC(=O)OCc1ccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1,PDRXLMRZCSFDFU-UHFFFAOYSA-N
rxn:4:191103:225880,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cc(C5CCOCC5)ncc4F)cc32)CC1,SGBFCWINDXCBTE-UHFFFAOYSA-N
rxn:4:191116:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(=O)CC43CCN(C(=O)OC(C)(C)C)CC3)cc2[N+](=O)[O-])CC1,IJDDNRKGSCORMA-UHFFFAOYSA-N
rxn:4:191117:223654,Cc1ccc(S(=O)(=O)n2c(-c3cccc4c3C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc3cccnc32)cc1,LIRCQJWJEJXBIO-UHFFFAOYSA-N
rxn:4:191117:223932,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c12,DSQRRKOUVWKDTO-UHFFFAOYSA-N
rxn:4:191118:224160,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc12,FZSWLFQQFLKGKP-UHFFFAOYSA-N
rxn:4:191123:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,ZFDWVARJWRLZBN-UHFFFAOYSA-N
rxn:4:191123:224157,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)c32)CC1,SLOFBOFEECHOMO-UHFFFAOYSA-N
rxn:4:191123:224653,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccc(Cl)cc4OCC4CCCCO4)c32)CC1,HCFCQKRSIHBAPG-UHFFFAOYSA-N
rxn:4:191125:223939,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)ccc32)CC1,GIZGOQZPTOZHSI-UHFFFAOYSA-N
rxn:4:191127:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,OHZFZJRWWNQZPU-UHFFFAOYSA-N
rxn:4:191147:223811,COCCn1c2c(c3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)ccc31)CCCC2,BHZJGHMPZMPTKZ-UHFFFAOYSA-N
rxn:4:191415:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(F)c(C(=O)C(F)(F)F)c3)c2)CC1,AHYVONKDRKYLCQ-UHFFFAOYSA-N
rxn:4:192237:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(OC)c(S(N)(=O)=O)cc3F)c2)CC1,DJYCYWVTCQJLIJ-UHFFFAOYSA-N
rxn:4:193146:223506,Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1CN1CCC1,SBTMOYAZORBLMR-UHFFFAOYSA-N
rxn:4:193627:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1,FIZSYESYPFWMSL-UHFFFAOYSA-N
rxn:4:193664:223594,Cc1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCOCC2)c1,SLTVNCPTCINASY-UHFFFAOYSA-N
rxn:4:193683:223696,C[C@H]1COCCN1Cc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,VYKYVHJQSYADAP-IBGZPJMESA-N
rxn:4:193689:223695,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,NVSQNOFLQSJSJM-UHFFFAOYSA-N
rxn:4:193745:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C4CC4)ccc3N3CCOCC3)c2)CC1,GOABFOYIAMZNQX-UHFFFAOYSA-N
rxn:4:193773:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCC5(CC4)CO5)cc3)c2)CC1,RVTDFYNCDBTSJB-UHFFFAOYSA-N
rxn:4:193839:223835,Cc1cc(F)c(-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,CGSOBIODDPHOCS-UHFFFAOYSA-N
rxn:4:193840:224018,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)C1,BCLWPLCIHBGIFR-UHFFFAOYSA-N
rxn:4:193842:222621,CC(C)Cc1cc(-c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc(C2CCCNC2)n1,ZDLPSAZTLFUIFT-UHFFFAOYSA-N
rxn:4:193870:224155,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,MHTUXWIXNJFJSY-UHFFFAOYSA-N
rxn:4:193877:222465,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,UTAVPJPNXOBMBN-UHFFFAOYSA-N
rxn:4:193888:222700,Cc1cc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,FUBOAJAYPLELMJ-UHFFFAOYSA-N
rxn:4:193957:223489,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,JPYXCKJMJGXJDH-UHFFFAOYSA-N
rxn:4:193970:224960,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1OC1CCCC1,GSFPHQNPGQXRKQ-UHFFFAOYSA-N
rxn:4:193971:225330,COC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc(C(=O)OC)n1,PZZKZTBWLNFLOT-UHFFFAOYSA-N
rxn:4:193974:222621,CC(C)Cc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(C2CCCNC2)n1,KTCWSTRDAWZWOZ-UHFFFAOYSA-N
rxn:4:193983:223502,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MONSZVXJBLXVTB-UHFFFAOYSA-N
rxn:4:193999:222612,Cc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)c(S(=O)(=O)N2CCC(C)CC2)cc1C,VORDYGGOPUZAJZ-UHFFFAOYSA-N
rxn:4:193999:225312,Cc1cc(-c2cnc(N3CCCN(C)CC3)nc2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,YFIUYYWEGHQYPA-UHFFFAOYSA-N
rxn:4:194335:223606,COC(=O)c1cc2oc(C)c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2n1C,CZOLSVARKCSISV-UHFFFAOYSA-N
rxn:4:194677:222702,O=c1oc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2cc1S(=O)(=O)N1CCCCC1,MNEDZEDEGRIJNP-UHFFFAOYSA-N
rxn:4:194708:225367,O=C(C1CCOCC1)N1CCc2c(cccc2-c2cnc(N3CCC(F)(F)CC3)nc2)C1,ZSIZROOKNQOTPB-UHFFFAOYSA-N
rxn:4:195581:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(S(C)(=O)=O)c3)ccc2Cl)CC1,BSLBLQMPSASNIO-UHFFFAOYSA-N
rxn:4:195622:223506,Cc1c(F)cc([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NQOXAXHTLCFREC-UHFFFAOYSA-N
rxn:4:196496:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(C3CCCS3)ccn2)CC1,FQRUOQSMLOIDHD-UHFFFAOYSA-N
rxn:4:196522:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C4CCOC4)c3)cc2[N+](=O)[O-])CC1,NDKXDLSVVZGGCU-UHFFFAOYSA-N
rxn:4:196933:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(F)cc(N4CCC(=O)CC4)c3)cc2)CC1,PBAIEUQWBMWPLW-UHFFFAOYSA-N
rxn:4:196933:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc(F)cc(N4CCC(=O)CC4)c3)cc2C1,VDQCTXAXXSDJDQ-UHFFFAOYSA-N
rxn:4:197222:223696,O=C1CCc2c1ccc(-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc1)c2[N+](=O)[O-],VHAVQTIVCSEGNE-UHFFFAOYSA-N
rxn:4:197978:224244,CC1CCN(C(=O)c2cc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)ccc2Cl)CC1,PHYFKJMPJGHEFY-UHFFFAOYSA-N
rxn:4:198013:224732,CC(=O)C1=C2CCCN2c2cc(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)ccc2S1(=O)=O,KBNWBWCVLIGKTP-UHFFFAOYSA-N
rxn:4:198013:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCC1=C(C(C)=O)S2(=O)=O,MHQLNWPMWZLVNI-UHFFFAOYSA-N
rxn:4:199557:222432,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)ccc2C#N)C1,OUQBQJAFGKWKPC-UHFFFAOYSA-N
rxn:4:199584:223520,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)co2)n1,YIOVCIKCZLQPDX-UHFFFAOYSA-N
rxn:4:199596:225928,Cc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCN(C)CC2)cc1S(=O)(=O)N(C)C,HKDQQRGYCRINIE-UHFFFAOYSA-N
rxn:4:199597:226123,COCc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCN(C)CC2)cc1C1CC1,PEIYRZZWDLZYKG-UHFFFAOYSA-N
rxn:4:199642:225226,CCN1CCN(CCCOc2ccc(-c3cc(N4CCC(C)CC4)ncc3F)cc2Cl)CC1,JLMLGWNLFGCFCQ-UHFFFAOYSA-N
rxn:4:199645:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(OCC4CCCN4C(=O)OC(C)(C)C)n3)cc21,ISFVVAORBUXDOM-UHFFFAOYSA-N
rxn:4:199649:223505,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,KCRWIUUHXCZFHT-UHFFFAOYSA-N
rxn:4:199652:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])C1,AIKJPSLWLKXPHE-UHFFFAOYSA-N
rxn:4:199652:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])cc1C,CTJADDWGTGZFSX-UHFFFAOYSA-N
rxn:4:199705:223006,CCN1CCN(CCCOc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2C)CC1,ABOARXHFZYDROG-UHFFFAOYSA-N
rxn:4:199705:223832,CCN1CCN(CCCOc2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)ccc2C)CC1,QEVVEDJEIRYINF-UHFFFAOYSA-N
rxn:4:199707:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)c1,UXTCDXOVHKOSJM-UHFFFAOYSA-N
rxn:4:199709:224356,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,WNOODCFWXBFUHY-UHFFFAOYSA-N
rxn:4:199711:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,AYEQDTSFGYULDY-UHFFFAOYSA-N
rxn:4:199711:223578,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)nc2)C1,ZBCZXHHCAZKQRS-UHFFFAOYSA-N
rxn:4:199711:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2C1,SWNLVRCMKWNIKH-UHFFFAOYSA-N
rxn:4:199712:225982,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCOCC2)cc1F,ODURKKUBIXIDQY-UHFFFAOYSA-N
rxn:4:199713:225618,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cccc(OC2CCCCO2)c1,JMHLONIAEQNWBF-UHFFFAOYSA-N
rxn:4:199716:223671,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,OGBPVLKZPJPCFF-UHFFFAOYSA-N
rxn:4:199719:228911,COc1ccc(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)n1,HVHFWRXKQRGPCQ-UHFFFAOYSA-N
rxn:4:199743:228356,CC(C)c1nc(Cl)ncc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ODOJGFOHLBIXEV-UHFFFAOYSA-N
rxn:4:199757:223595,CN(Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1N1CCCC1)C(=O)OC(C)(C)C,JNSMQTMZSGPKLY-UHFFFAOYSA-N
rxn:4:199763:225876,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cc(Cl)ccc3N3CCOCC3)c2)CC1,SPYZJCZZKANRMI-UHFFFAOYSA-N
rxn:4:199763:226716,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3ccn(C(=O)OC(C)(C)C)n3)c2)CC1,RXGMJTDVYTYUAH-UHFFFAOYSA-N
rxn:4:199771:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(C(F)(F)F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,QIXUZXBIUFTHEX-UHFFFAOYSA-N
rxn:4:199785:223490,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XITPXLFNLYFTRG-UHFFFAOYSA-N
rxn:4:199789:225320,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3ccc(N4CCOCC4)c(F)c3F)CC2)ccn1,CUDBWFAHFLGYQN-UHFFFAOYSA-N
rxn:4:199790:223346,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)CNC2=O,DKERDHPOSSGNNP-UHFFFAOYSA-N
rxn:4:199790:223501,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,FYXDGKWQCMZLSC-UHFFFAOYSA-N
rxn:4:199790:224834,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,QQOGWMXQLJJPHH-UHFFFAOYSA-N
rxn:4:199791:224273,COc1ccc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MFSZSRVWVUMPEW-UHFFFAOYSA-N
rxn:4:199791:225992,COc1ccc(-c2cn(CC(C)C)nc2C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SGQRVIGNYHEURE-UHFFFAOYSA-N
rxn:4:199817:224128,CCCOc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,OCSQVJBLMNNVLE-UHFFFAOYSA-N
rxn:4:199818:224753,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,MRCRQCRBFGFGFF-UHFFFAOYSA-N
rxn:4:199828:222886,CN(Cc1c(Cl)cccc1-c1ccc(N2CCNCC2)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1,OSDHCPVLGIBENF-UHFFFAOYSA-N
rxn:4:199831:222864,CC(C)NCCOc1ccc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1F,UUWIURNCSZRGTL-OAQYLSRUSA-N
rxn:4:199831:227050,Cc1cc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)ccc1OC(C)C,RSKYTJNPVNYSTQ-OAQYLSRUSA-N
rxn:4:199834:227674,COc1c(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc2F)cc(C)c(F)c1F,ITUMWLMWFBDQSV-UHFFFAOYSA-N
rxn:4:199843:223929,CN(C)c1ccc(CN(C(=O)c2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)C2CCS(=O)(=O)C2)cc1,ZWIQBWGYDIXUBK-UHFFFAOYSA-N
rxn:4:199843:224280,CN(C)c1ccc(CN(C(=O)c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)C2CCS(=O)(=O)C2)cc1,USAAMDUWFRBXHO-UHFFFAOYSA-N
rxn:4:199860:224323,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1,RSZGZGIQCIAIKX-UHFFFAOYSA-N
rxn:4:199863:222985,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(C2CCCNC2)nc1C,SGTVDFFQVSDLTF-UHFFFAOYSA-N
rxn:4:199863:224155,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,WFIBAOKCVAOHLI-UHFFFAOYSA-N
rxn:4:199863:225876,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(Cl)ccc1N1CCOCC1,FXGQLDHFCLEVJL-UHFFFAOYSA-N
rxn:4:200308:222722,O=C(C1CC1)N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1,IGJJFPOOSXUYNK-UHFFFAOYSA-N
rxn:4:200353:224267,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1cccc(N2CCC3(CC2)OCCO3)c1,WFVBEQHVZVNKGN-UHFFFAOYSA-N
rxn:4:200355:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1CCC1CCCCC1,QNZSTSVPRNGXMW-UHFFFAOYSA-N
rxn:4:200371:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,UUBHQXSNQKMBBU-UHFFFAOYSA-N
rxn:4:200371:223818,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)C1,QLXWVXBXLRJBGB-UHFFFAOYSA-N
rxn:4:200386:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(CC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1,RRYRDDBLFPRDCJ-UHFFFAOYSA-N
rxn:4:200386:226002,CC(=O)Oc1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1[N+](=O)[O-],OAAJCVXRXWESBQ-UHFFFAOYSA-N
rxn:4:200398:224015,Cc1cc(F)c(-c2ccccc2C(=O)N2CCN=C2SCc2ccccc2F)cc1S(=O)(=O)N1CCOCC1,KPIRVWRKIGOIIW-UHFFFAOYSA-N
rxn:4:200436:223520,CCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,QDFTXMNPMUZFCB-UHFFFAOYSA-N
rxn:4:200481:225665,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2ccc(Cl)cc2N2CCCCC2)C1,SEHAVWNWMZAKIM-IBGZPJMESA-N
rxn:4:200518:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,HBRLRGPOYFTGPX-UHFFFAOYSA-N
rxn:4:200541:223892,COc1ccc(C(=O)N2CCC(Oc3ncccc3-c3ccc(OCCCN4CCN(C)CC4)cc3)C2)cc1F,UTXBXIJVPXIJCG-UHFFFAOYSA-N
rxn:4:200555:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,RGSLITMQJZHGPW-UHFFFAOYSA-N
rxn:4:200557:224198,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(CC)CC4)cc3F)cc2)CC1,DDLAMFXTXLKJRW-UHFFFAOYSA-N
rxn:4:200559:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3coc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,HUTDIXQLNFQBJM-UHFFFAOYSA-N
rxn:4:200567:222723,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c(C)c2)CC1,KQYODOAPDJNQPE-UHFFFAOYSA-N
rxn:4:200600:224285,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(OCCN2CCOCC2)cc1F,BGRQFDVRFZVLKC-UHFFFAOYSA-N
rxn:4:200600:226245,CCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OCCC)cc1F,LMCQUPPJMWTQLV-UHFFFAOYSA-N
rxn:4:200606:222851,CCc1cc(-c2cc(OC)c(C(=O)N3CCN(CC)CC3)c(OC)c2)cc(C2CCNCC2)n1,XILLXXYWJKEYIO-UHFFFAOYSA-N
rxn:4:200649:226716,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,IKHTXTNSPCOARB-UHFFFAOYSA-N
rxn:4:200652:227240,CC(=O)OCc1ccc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,PHLQMJVLHACHTM-UHFFFAOYSA-N
rxn:4:200654:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cc(C#N)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,JICRMCXZPGXZPS-UHFFFAOYSA-N
rxn:4:200657:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C#N)cc2)C1,XNHKMQNRCJLPMB-UHFFFAOYSA-N
rxn:4:200657:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N,VMTBPLGYHDBXSX-UHFFFAOYSA-N
rxn:4:200659:223602,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(F)c2)CC1,LCBRAWNLWWRGOX-UHFFFAOYSA-N
rxn:4:200671:224817,O=C(CCc1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1CCC(N2C(=O)COC2=O)CC1,XQJUDFYWCGRIOT-UHFFFAOYSA-N
rxn:4:200695:223650,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,BMCQGMGPOLALEQ-UHFFFAOYSA-N
rxn:4:200702:222575,Cc1ccc(NC(=O)c2ccc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3Cl)cc2)c(Cl)c1,CSEKMVOLNYSKKJ-UHFFFAOYSA-N
rxn:4:200704:223593,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2Cl)CC1,NZWONKOROBHANT-UHFFFAOYSA-N
rxn:4:200704:223928,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,JRWMQRJTMQJXPC-UHFFFAOYSA-N
rxn:4:200707:225762,CC(C)COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(Cl)c1F,PAGOEWLXGQAPQE-UHFFFAOYSA-N
rxn:4:200708:224161,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,GMSBDCKXHNLTIR-UHFFFAOYSA-N
rxn:4:200708:225232,CC1CCN(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cnc2Cl)CC1,IPHAJPKGTYUVIX-UHFFFAOYSA-N
rxn:4:200708:225798,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC4CCOCC4)nc3)c(F)c2)CC1,LNKOMYWHKZFLGG-UHFFFAOYSA-N
rxn:4:200708:227498,COc1cc(N(C)C)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,SYLPYLDZNDHWJS-UHFFFAOYSA-N
rxn:4:200709:223575,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,LSTGEPBAZCSAQP-UHFFFAOYSA-N
rxn:4:200710:225592,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(F)ccc3CN3CCCC3)c2)CC1,PLUIZZFEEFRPMC-UHFFFAOYSA-N
rxn:4:200730:225517,CN(C)CCCOc1cccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c1,JQHJZZOEJJCMJE-UHFFFAOYSA-N
rxn:4:200732:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(C(F)(F)F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,GVOSXQSHKTUSIF-UHFFFAOYSA-N
rxn:4:200732:223888,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2C(F)(F)F)CC1,SMHGKCPAZVMNEA-UHFFFAOYSA-N
rxn:4:200732:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,OQCFDWOVBHKWSD-UHFFFAOYSA-N
rxn:4:200733:228470,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)cc2C(F)(F)F)CC1,GCLWIHUSYSCXKC-UHFFFAOYSA-N
rxn:4:200734:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,NYJLKQPAHGQPRO-UHFFFAOYSA-N
rxn:4:200783:222947,Cc1cc(-c2cnc(N3CCCC(O)C3)nc2Cl)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,KCBGGELXYIFDMM-UHFFFAOYSA-N
rxn:4:200783:223532,Cc1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,CGGIVTOBFQISTF-UHFFFAOYSA-N
rxn:4:200791:223649,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,KLKZWJGNSLAOQS-QFIPXVFZSA-N
rxn:4:200799:225163,O=C(CCc1ccccc1-c1ccccc1C(=O)N1CCOCC1)N1CCC(N2C(=O)COCC2=O)CC1,WHWMDPOCZFWYJM-UHFFFAOYSA-N
rxn:4:200803:222466,CCOc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,XFCFCAADIPBCJX-UHFFFAOYSA-N
rxn:4:200815:227755,CC(c1cccc(-c2cc(C(F)(F)F)ccc2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KJTJENNMFDMISR-UHFFFAOYSA-N
rxn:4:200821:223507,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,NFJIVXKBHPKANJ-UHFFFAOYSA-N
rxn:4:200823:223577,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WEYACRBRVVJLGX-UHFFFAOYSA-N
rxn:4:200825:222988,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc(C2CCNCC2)n1,MZOUFYREDQBXDV-UHFFFAOYSA-N
rxn:4:200826:222630,Cc1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,YOWUMEZIVOFDJS-UHFFFAOYSA-N
rxn:4:200828:223532,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,RFMBBVSBPMLXLL-UHFFFAOYSA-N
rxn:4:200828:225264,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)cc1C(=O)OC,GARFYSFEBTVGJM-UHFFFAOYSA-N
rxn:4:200832:225831,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cnc(N2CCOCC2)c(C)c1,IQYYUQIOGLRWIK-UHFFFAOYSA-N
rxn:4:200844:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CC3)c2)cc1,JJRULUAJCOEJNT-UHFFFAOYSA-N
rxn:4:200866:223594,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,WJXWREPIGCMOOV-UHFFFAOYSA-N
rxn:4:200871:223774,COc1cccc2c1cc(-c1cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c1)n2C(=O)OC(C)(C)C,YRFPZUIIONHNQQ-UHFFFAOYSA-N
rxn:4:200882:224371,COC(=O)C1CCN(c2ncc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cn2)CC1,SSPXKGMQOMBMLA-UHFFFAOYSA-N
rxn:4:200882:226833,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(OCC(F)(F)F)nc3)c1)C2,KMYUGKUGGZGECT-UHFFFAOYSA-N
rxn:4:200883:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccccc2CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1,DQEORQJAWYCJCZ-UHFFFAOYSA-N
rxn:4:200883:223788,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc1)C2,VPQWOCPQJNNEEF-UHFFFAOYSA-N
rxn:4:200887:222717,COc1ccccc1C1CC(c2ccc(-c3cc(C)c(F)cc3S(=O)(=O)NC(C)(C)C)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,ABNAZPBTNVJJOO-UHFFFAOYSA-N
rxn:4:200891:224820,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C)CC1,OFENDRHPQHISBC-UHFFFAOYSA-N
rxn:4:200891:225975,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(N4CCOCC4)c3Cl)cc2C)CC1,QACVWGHNSWGXCH-UHFFFAOYSA-N
rxn:4:200892:222956,CCOc1ccc(-c2ccc(C)cc2C2CCCNC2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,DJHZIUZCDXAJMA-UHFFFAOYSA-N
rxn:4:200895:224714,CCCCOc1ccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)cc1C(F)(F)F,DKBCBIBXSSZJDB-UHFFFAOYSA-N
rxn:4:200895:225218,CC1CCCN(c2ncc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cc2Cl)C1,XDASFVJMGRPLPI-UHFFFAOYSA-N
rxn:4:200897:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1OC,HWXSVUJJWBVEPJ-UHFFFAOYSA-N
rxn:4:200897:223521,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XFHFAXSKKFCCGU-UHFFFAOYSA-N
rxn:4:201150:225232,CC1CCN(c2cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cnc2Cl)CC1,RDYUEVSSPONMEP-UHFFFAOYSA-N
rxn:4:201621:224397,CCSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,FNNJVEUMQGMHJU-UHFFFAOYSA-N
rxn:4:201677:222891,COc1cc(-c2cccc(N3CCCC(C(=O)CC#N)C3=O)c2F)cc(C2CCNCC2)n1,ILQMHDYXORHSNZ-UHFFFAOYSA-N
rxn:4:201687:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCCC4CCCCC4)nc3)cc2)CC1,NWINBZHNJBEWQQ-UHFFFAOYSA-N
rxn:4:201760:226155,CC(=O)c1cc(-c2ccc(CC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)cc(C2CC2)c1,SCROSUOZACFFDB-UHFFFAOYSA-N
rxn:4:201774:223934,CC(C)(C)OC(=O)N1CCC[C@H]1c1csc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)n1,XRNFIFKSWXBKIK-SFHVURJKSA-N
rxn:4:201774:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)cs3)ccc21,WPQPALPUMSDORK-FQEVSTJZSA-N
rxn:4:201778:223847,CCCCCC1CCC(c2ccc(-c3cccc(OCC(=O)N4CCN(C)CC4)c3)cc2)CC1,TVLXMFORHIEZHX-UHFFFAOYSA-N
rxn:4:201794:223777,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1,AOYHTFVWDQGAGS-UHFFFAOYSA-N
rxn:4:201803:225891,COc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2OC(F)F)cnc1C(OC)OC,JEWGCYCNQSAQFX-UHFFFAOYSA-N
rxn:4:201814:222858,CCOC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cccc(C(=O)NCCN(C)C)c1,KQEAOLJSMQCDMR-UHFFFAOYSA-N
rxn:4:201927:224486,CC(C)N(C(=O)c1cccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1)C(C)C,BKSVKPMZFUMEBK-UHFFFAOYSA-N
rxn:4:201933:224802,COC(OC)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c(C(F)(F)F)c1,XAUPFBXKKSATDT-UHFFFAOYSA-N
rxn:4:201953:222616,COC(=O)c1cc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)ccc1CN1CCN(C)CC1,UNINCWLVBAZJJF-UHFFFAOYSA-N
rxn:4:201958:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3F)c(F)cn2)CC1,CMYRJVJJNNULAZ-UHFFFAOYSA-N
rxn:4:201958:224278,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c(F)n2)C1,RZEYVFLHUUIFQD-UHFFFAOYSA-N
rxn:4:201987:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)cc2)CC1,GFXWYZCKPIITBX-UHFFFAOYSA-N
rxn:4:201989:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,SUDZQCPWIDFGMO-UHFFFAOYSA-N
rxn:4:201996:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccn3)c2)CC1,MWZUGTZDFXEOCU-UHFFFAOYSA-N
rxn:4:202001:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)c2)CC1,BJIRYXAVLYYIAH-UHFFFAOYSA-N
rxn:4:202001:223935,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)c1,BNXLPDQEDBLHSH-UHFFFAOYSA-N
rxn:4:202001:224818,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1,UHZJALQANOHXQD-UHFFFAOYSA-N
rxn:4:202002:225569,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CC4)c(C(=O)OC)c3)ccc2OC)CC1,HJRPDVGEGXFLHY-UHFFFAOYSA-N
rxn:4:202008:223498,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,FXMVJZCDFJTABT-UHFFFAOYSA-N
rxn:4:202008:224795,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(F)c(S(=O)(=O)N(CC)CC)c1,MEGIBPJWLJTTOL-UHFFFAOYSA-N
rxn:4:202065:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(OC)c(CN2CCN(C)CC2)c(OC)c1,KIYTWPAOMHWCKR-UHFFFAOYSA-N
rxn:4:202065:224950,COc1ccc(-c2cc(OC)c(CN3CCN(C)CC3)c(OC)c2)c(CN2CCCC2)c1,GUZFHKJYGNXQCD-UHFFFAOYSA-N
rxn:4:202095:223500,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JKKXXWSJFXNSDC-UHFFFAOYSA-N
rxn:4:202095:224269,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cn(C(=O)OC(C)(C)C)c2cnccc12,ZMFNNBRVBRRKID-UHFFFAOYSA-N
rxn:4:202098:224986,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(N4CCCCC4)cc3C#N)nc2)CC1,GAXRBDHDEWJIQO-UHFFFAOYSA-N
rxn:4:202098:225232,CC1CCN(c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cnc2Cl)CC1,WYYIYKVUXHSBPY-UHFFFAOYSA-N
rxn:4:202098:225294,CCN1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,FZUYYLZFLKVBTQ-UHFFFAOYSA-N
rxn:4:202103:223106,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cnc(N3CCC(O)C3)nc2Cl)CC1,DOEJVENZXQXQMU-UHFFFAOYSA-N
rxn:4:202103:224720,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)CC1,HMUIZIBXWINLSL-UHFFFAOYSA-N
rxn:4:202108:223788,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,SQPJJHOALSMWFU-UHFFFAOYSA-N
rxn:4:202124:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)N4CCN(C(C)C)CC4)ccc3OC)cc2)CC1,KADJIZINYCTGJJ-UHFFFAOYSA-N
rxn:4:202130:224271,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c(F)n2)C1,LVXORICWYBDYMI-UHFFFAOYSA-N
rxn:4:202133:225338,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(F)c(COCC(F)(F)F)c2)CC1,FRHFACUKNOVRHY-UHFFFAOYSA-N
rxn:4:202133:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,XSFQTFNTAFQWAG-UHFFFAOYSA-N
rxn:4:202161:222612,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,KUMRRTDASBKCPN-UHFFFAOYSA-N
rxn:4:202161:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2C)c1,UPJMJJWRIRMQCO-UHFFFAOYSA-N
rxn:4:202161:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,VTHZYCBGWSFJLS-DUYHBEBVSA-N
rxn:4:202161:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,MWSXHLCREQYPQS-UHFFFAOYSA-N
rxn:4:202207:223697,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2)CC1,UUQFCQKMTAYEGH-UHFFFAOYSA-N
rxn:4:202209:222623,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2OC)cc(C2CCNCC2)n1,HMNLKGCOAJWFDX-UHFFFAOYSA-N
rxn:4:202209:224015,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)c(C)cc1F,NDNBPHDWJDDFRG-UHFFFAOYSA-N
rxn:4:202228:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(C(C)C)cc(C(=O)N2CCN(C)CC2)c1OC,VYNHNMPICQJJJT-UHFFFAOYSA-N
rxn:4:202228:225213,COc1c(C(=O)N2CCN(C)CC2)cc(C(C)C)cc1-c1ccc(N2CCN(C)CC2)cc1Cl,YAELVDFNNGLMDU-UHFFFAOYSA-N
rxn:4:202234:223650,Cc1c(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,DFXCQUXEOBEVNG-UHFFFAOYSA-N
rxn:4:202267:225297,O=C(C1CN(Cc2cccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c2)CCO1)N1CCCCC1,FIFSCNBDPQOMNB-UHFFFAOYSA-N
rxn:4:202279:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C,GPWWUXCQEQFQAT-UHFFFAOYSA-N
rxn:4:202279:224379,Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,JADPXLAOWHSKMX-UHFFFAOYSA-N
rxn:4:202285:224426,COC1CCN(Cc2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2N2CCCC2)CC1,KTUINLLZYTVZPW-UHFFFAOYSA-N
rxn:4:202301:222466,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)CC2)c1,APSKLJMBYCBBOF-UHFFFAOYSA-N
rxn:4:202306:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,PPFQIRMLPQLXJI-UHFFFAOYSA-N
rxn:4:202306:224178,CCN1CCN(Cc2cc(-c3cccc(OCCN4CCN(C)CC4)c3)cc(C(C)(C)C)c2)CC1,IJJJINKIJQUDRN-UHFFFAOYSA-N
rxn:4:202306:224842,CCN1CCN(Cc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(C)(C)C)c2)CC1,GYDNFMATMZFXPG-UHFFFAOYSA-N
rxn:4:202313:228066,O=C(C1CCN(Cc2ccccc2-c2ccc3c(c2)OCCO3)CC1)N1CCC(F)(F)CC1,BUTQFTRXFAKUQU-UHFFFAOYSA-N
rxn:4:202318:223481,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)oc2N2CCOCC2)cc1,PECYPRMRKLSRLX-UHFFFAOYSA-N
rxn:4:202318:223841,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)oc2N2CCOCC2)cc1,FVUFBLVSFDCAAC-UHFFFAOYSA-N
rxn:4:202333:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2OC)cc(C2CCCNC2)n1,LFIPZNDDUXLRFM-UHFFFAOYSA-N
rxn:4:202333:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3OC)c2)CC1,RXFYLCIVXQMORI-UHFFFAOYSA-N
rxn:4:202333:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3OC)cc2)CC1,UPVKYLOCOBGPJT-UHFFFAOYSA-N
rxn:4:202400:223502,COCCCn1ccc2c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccnc21,YRDNYZGXJPPAAP-UHFFFAOYSA-N
rxn:4:202564:225877,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3C2=O)C1,GMIIXRFAKSRIMO-UHFFFAOYSA-N
rxn:4:202564:226290,CC(C)OC(=O)c1cccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)c1,WIDYFPACVIUZGC-UHFFFAOYSA-N
rxn:4:202689:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc2c(c1)CN(C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O)C2=O,SUUKPVMUAWASKA-UHFFFAOYSA-N
rxn:4:202697:222792,COc1ccc(N2C(=NC(=O)c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4F)cc3)SC3CS(=O)(=O)CC32)cc1,DQOMXDGUKUAMEF-UHFFFAOYSA-N
rxn:4:202706:222722,O=S(=O)(c1cccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)c1)N1CCC(O)CC1,KCLPIPFVFPLYHC-UHFFFAOYSA-N
rxn:4:202712:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C3=O)n2C(=O)OC(C)(C)C,FGVHAUDGKMLLRI-DEOSSOPVSA-N
rxn:4:202712:226714,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccnn4C(=O)OC(C)(C)C)ccc3C2=O)C1,YZZBDIBBRYHTKU-IBGZPJMESA-N
rxn:4:202782:222604,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(S(=O)(=O)NC5CCCC5)c4)ccc2OC3c2ccco2)cc1,QLRJLPLBOBQDBS-UHFFFAOYSA-N
rxn:4:202913:224017,N#Cc1ncc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1C(F)(F)C(F)(F)F,UBRJOPMYSGPXRE-UHFFFAOYSA-N
rxn:4:202926:223539,COC(=O)Cc1ncc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,XDUOVZZNFRYMDD-UHFFFAOYSA-N
rxn:4:203243:224820,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cnc1Cl,YYDKTYVUNNDECJ-UHFFFAOYSA-N
rxn:4:203684:222646,COc1c(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cncc1S(=O)(=O)N1CCOCC1,XUSYJGQRDPJEDP-UHFFFAOYSA-N
rxn:4:203696:225999,COC(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)CSC3=O)C2)c([N+](=O)[O-])c1,LOCHDBOTSVQWSV-UHFFFAOYSA-N
rxn:4:203757:223667,O=S(=O)(c1cncc(-c2ccc(OC(F)(F)F)cc2OCc2ccccc2)c1)N1CCC(C(F)(F)F)CC1,RMEULVZYZAHLOQ-UHFFFAOYSA-N
rxn:4:203841:224760,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)N1CCC(N2C(=O)COC2=O)C1,FMGVADKTQHOPSX-UHFFFAOYSA-N
rxn:4:203889:222542,COC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1N1CCN(C)CC1,WBTAHCGLHQXATO-UHFFFAOYSA-N
rxn:4:203904:224322,COc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(C(=O)N2CCN(C)CC2)c1F,JAJLOURMQMQYID-UHFFFAOYSA-N
rxn:4:203914:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,PSXZIBABXYYIFZ-UHFFFAOYSA-N
rxn:4:203940:223970,Cc1ccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,FJKHJVGFLIRZAP-UHFFFAOYSA-N
rxn:4:203949:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C[C@H]4CC[C@H](C(C)C)CC4)c3)cc2)CC1,XJXXDPXKEZFCQD-HZCBDIJESA-N
rxn:4:203977:225368,O=C(c1ccccc1-c1ccc2c(c1)OC(F)(F)C(F)(F)O2)N1CCC(N2C(=O)CSC2=O)CC1,KTSXBWJTXRWPJV-UHFFFAOYSA-N
rxn:4:203977:226290,CC(C)OC(=O)c1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,YEPBGUXSARAKHG-UHFFFAOYSA-N
rxn:4:203985:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,MSPNWAHLNDARRB-UHFFFAOYSA-N
rxn:4:203987:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)CC1,YOZKAKVXZRFIJA-UHFFFAOYSA-N
rxn:4:204011:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N(C)C)CC4)cc3)cc2F)CC1,VBEQOBPNHGSBPZ-UHFFFAOYSA-N
rxn:4:204021:224818,O=C(C1CCC1)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)CC1,ZTWCKPQPNVGQSF-UHFFFAOYSA-N
rxn:4:204034:224323,Cc1cc(-c2cccc(C(F)(F)F)c2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCCC1,DZEQSNWBCOMMNI-UHFFFAOYSA-N
rxn:4:204034:224718,CN(C)C1CCN(c2c(-c3ccc(OCCN4CCOCC4)nc3)cccc2C(F)(F)F)CC1,DMIILAXJBAARQT-UHFFFAOYSA-N
rxn:4:204037:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(N2CCC(N(C)C)CC2)ccc1C(F)(F)F,SVAHSPHGCGKWTF-UHFFFAOYSA-N
rxn:4:204046:224684,O=C1CCN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)CSC4=O)CC3)cc2)CC1,UKEYWBDDYYCIIX-UHFFFAOYSA-N
rxn:4:204048:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC2(C)C)cc1,JYJZDADRAAKNIN-UHFFFAOYSA-N
rxn:4:204066:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,PORBVUKDPQDACV-SOAUALDESA-N
rxn:4:204082:226290,CC(C)OC(=O)c1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,SHMFQSRMRRKCMP-UHFFFAOYSA-N
rxn:4:204082:228439,COc1c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)ccc(F)c1Cl,DSJZBGTZDQLBSH-UHFFFAOYSA-N
rxn:4:204092:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)c(C)c3)cc2)CC1,ZDQVQXHJDLOUKA-UHFFFAOYSA-N
rxn:4:204115:225926,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1)N1CCC1,FJDGLHWSRHGPHR-UHFFFAOYSA-N
rxn:4:204131:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cc2)CC1,VTUFRDQDSOZYBT-UHFFFAOYSA-N
rxn:4:204134:227656,O=S(=O)(c1ccccc1-c1cc(N2CCOCC2)cs1)N1CCCN(C2CCOC2)CC1,BCOFOMPXUHLJTA-UHFFFAOYSA-N
rxn:4:204167:225880,CC1CCCN(Cc2ccc(-c3cc(C4CCOCC4)ncc3F)cc2N2CCOCC2)C1,ZDBADIZVLNDBIA-UHFFFAOYSA-N
rxn:4:204183:223057,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(Cl)nc(C4CCCNC4)c3)CC2)c(C)c1,UZTMHUMLLKKLRE-UHFFFAOYSA-N
rxn:4:204475:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)cn2)CC1,VWHAAWJNCYNXHY-UHFFFAOYSA-N
rxn:4:204597:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,SQIXZUXJUOAWKJ-UHFFFAOYSA-N
rxn:4:204605:223499,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,WRRYBKHDAXKUBB-UHFFFAOYSA-N
rxn:4:204606:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)ccn2)CC1,ZXWYTFBTEVNNPI-UHFFFAOYSA-N
rxn:4:204642:225220,CC1CCCCN1c1ncc(-c2ccc3c(c2)CCN3C(=O)CN2CCOCC2)cc1Cl,LHFNTHKHGKTQEB-UHFFFAOYSA-N
rxn:4:204682:223777,Cc1cc2c(c(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)n1)CN(C(=O)OC(C)(C)C)CC2,MUFAPECCJNEMNZ-UHFFFAOYSA-N
rxn:4:204697:225873,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1,XCXHLVSELPZHQM-UHFFFAOYSA-N
rxn:4:204720:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)cc2)CC1,NXALURLERGMFCY-UHFFFAOYSA-N
rxn:4:204753:224820,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1,FIEDKTKKOSSLGQ-UHFFFAOYSA-N
rxn:4:204836:227680,O=C(C1=CN(c2cccc(-c3cccc4c3OC(F)(F)O4)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1,HUFIMKZJJPKGRN-UHFFFAOYSA-N
rxn:4:204871:224394,Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCOCC6)c5)cc4)C3C2=O)cc1,UEYPZLWQENGFCU-UHFFFAOYSA-N
rxn:4:206198:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2c(C3CCCC3)ccnc2C#N)CC1,MGDGPWGJZUHIRL-UHFFFAOYSA-N
rxn:4:206411:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C#N)CCOCC4)nc3)cc2[N+](=O)[O-])CC1,JNGRZDDHYORAEU-UHFFFAOYSA-N
rxn:4:206525:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)nc3)cc2F)CC1,JLDSSLVXZLXJCX-UHFFFAOYSA-N
rxn:4:206544:224018,O=S(=O)(c1cc(F)c(F)cc1-c1cnc(N2CCOCC2)cc1C(F)(F)F)N1CCOCC1,LUKPLIYYUKHZSR-UHFFFAOYSA-N
rxn:4:206601:223493,COc1ncc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1N1CCOCC1,GLJJGLRZVXVGKG-UHFFFAOYSA-N
rxn:4:206669:223696,COc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1C1CCCCC1,BCHPBTKCLVOENE-UHFFFAOYSA-N
rxn:4:206896:223697,CC(C)c1nc(N2CCCCC2)sc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,UOCUYKYFMDYDFE-UHFFFAOYSA-N
rxn:4:206959:223608,CS(=O)(=O)N1CCN(c2cccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)c2)CC1,OGVMVQIYCSHPNQ-UHFFFAOYSA-N
rxn:4:206960:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,HVRGDMYERLTVLP-UHFFFAOYSA-N
rxn:4:207028:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(C4CCCN(C(C)C)C4)n3)cc2C)CC1,WACGPPSZVWNHKG-UHFFFAOYSA-N
rxn:4:207028:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C4CCCN(C(C)C)C4)n3)c2)CC1,UAYQCQDZAJUQMH-UHFFFAOYSA-N
rxn:4:207036:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCCN(C)CC4)cc3)cc2)CC1,ZZCDZIIBPYYIRZ-UHFFFAOYSA-N
rxn:4:207040:222466,Cc1ccc(CN2CCN(C)CC2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,SEJNLRWGCQWAKH-UHFFFAOYSA-N
rxn:4:207046:222612,CC(C)N1CCCC(c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)C1,WGMWKJBDZGBECD-UHFFFAOYSA-N
rxn:4:207070:223976,CN1CCN(c2cc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cc(C3CC3)c2)CC1,DXJHWYUHFMSKII-UHFFFAOYSA-N
rxn:4:207086:224377,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DIXGFYQFNBXLAJ-UHFFFAOYSA-N
rxn:4:207299:223539,COC(=O)c1cc(C)nc2nc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)sc12,COHSROOPZBZABP-UHFFFAOYSA-N
rxn:4:207723:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)CN(S(=O)(=O)c3ccccc3)CC4)c(F)c2)CC1,SMOYYWJNAAWXFE-UHFFFAOYSA-N
rxn:4:207779:222741,O=S(=O)(c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1)N1CCN2CCC1CC2,ALTLWAXBOHSAJZ-UHFFFAOYSA-N
rxn:4:207852:222466,Cc1ccccc1N1C(=O)N(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)C2CS(=O)(=O)CC21,YUMXZBIAXICNSC-UHFFFAOYSA-N
rxn:4:207958:223026,CCCNC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCC(CC)CC2)O3)cc1F,VQIWBYQNGWLYAL-UHFFFAOYSA-N
rxn:4:208736:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(N4C(=O)CCC4=O)s3)cc2)C1,FMWJGWCELJIZDB-UHFFFAOYSA-N
rxn:4:209716:222439,Cc1nn(C2CCOCC2)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,MONPOMJROGWYRV-UHFFFAOYSA-N
rxn:4:209721:223699,Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cnn1C1CCCCO1,DNRAVEJAGKEWSU-UHFFFAOYSA-N
rxn:4:209807:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn([C@@H]2CCCC[C@H]2C)c1,OTXPVABFXXFWKK-HYBUGGRVSA-N
rxn:4:209809:223507,Cc1cn(C2CCCCC2)nc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QTDDHYLOVKBWNL-UHFFFAOYSA-N
rxn:4:210595:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(C(F)(F)F)n3)CCCC4)ccc2C)CC1,UWCVWXZQDXZFQZ-UHFFFAOYSA-N
rxn:4:210864:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCOCC5)sc4c3)cc2)CC1,CCUSJZKGTQPJNM-UHFFFAOYSA-N
rxn:4:211024:223562,Cc1nn(C2CCCCO2)c2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12,JYGANFJAAGALSN-UHFFFAOYSA-N
rxn:4:211073:224336,N#CC1=C2CCCCN2c2cc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)ccc2S1(=O)=O,DARRSQAISXDESN-UHFFFAOYSA-N
rxn:4:211866:223492,Cc1cc(-c2cnn3c2COCC3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DVBBLQBMMSNGFO-UHFFFAOYSA-N
rxn:4:212419:223606,CN1Cc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc2N(C)S1(=O)=O,RDUYZPSJIRJOCK-UHFFFAOYSA-N
rxn:4:212511:224976,N#Cc1c(-c2cnn(CC3CN(C(=O)CCC(F)(F)F)C3)c2)cccc1N1CCCCC1,ZXGNIBWONQVROB-UHFFFAOYSA-N
rxn:4:212560:224820,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1,FLFFAIJXKCKKMA-UHFFFAOYSA-N
rxn:4:212571:223575,Cn1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,SIZDIWVOGJPESL-UHFFFAOYSA-N
rxn:4:212583:225159,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)c1)N1CCOCC1,DKSMOHPVXSXUFT-UHFFFAOYSA-N
rxn:4:212593:223503,CN(C(=O)c1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)nc1)C1CN(C(=O)OC(C)(C)C)C1,LZLXEGCZPRVGLQ-UHFFFAOYSA-N
rxn:4:212605:223646,Cn1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,YRIPJELMCPJTLD-UHFFFAOYSA-N
rxn:4:212605:224274,Cn1cc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,OETVNLNQBIUMDH-UHFFFAOYSA-N
rxn:4:212647:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(CCC2CCCCN2C(=O)OC(C)(C)C)cn1,PLSFIWBCFLIFGP-UHFFFAOYSA-N
rxn:4:212652:224720,COC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XKSMJXBTNPCMAE-UHFFFAOYSA-N
rxn:4:212655:223529,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FMIGPJWEOCUGAR-UHFFFAOYSA-N
rxn:4:212693:222792,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)c1,UVSUAOFLVYOEQG-UHFFFAOYSA-N
rxn:4:212693:223648,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,LCOCRMJBTPJPDE-UHFFFAOYSA-N
rxn:4:212695:224991,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2cc(C3CC3)nc(N3CCCC3)c2)CC1,IPAAVCAPEWTQFP-UHFFFAOYSA-N
rxn:4:212696:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1,GHHNVFOTXWIREG-UHFFFAOYSA-N
rxn:4:212704:226538,CCOC(=O)c1cc(Cl)ccc1-c1cccc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)n1,ZKLIDTFNPLKQMT-UHFFFAOYSA-N
rxn:4:212722:222575,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4Cl)cc3)cc2)C(=O)N2CCN(C)CC2)cc1,OLLHMIVZXAWWSL-UHFFFAOYSA-N
rxn:4:212722:227043,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(OC(C)C)cc3C)cc2)C(=O)N2CCN(C)CC2)cc1,IQVSHAIYEKMTIY-UHFFFAOYSA-N
rxn:4:212738:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cnc1Cl,QEECFXFYAYXLBI-UHFFFAOYSA-N
rxn:4:212743:222768,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(NC(=O)c5ccncc5)cc4)cc3)CC2)CC1,LMMKDDPMRSRXMC-UHFFFAOYSA-N
rxn:4:212743:223525,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)CC1,RBMLNXFBRDSSGR-UHFFFAOYSA-N
rxn:4:212743:223880,Cc1ccc2c(c1)cc(-c1ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc1)n2C(=O)OC(C)(C)C,NYQUYFXBPWJGIM-UHFFFAOYSA-N
rxn:4:212743:226655,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(Cl)cnc4N4CCCC4)cc3)CC2)CC1,HOSHVDXMECHBQC-UHFFFAOYSA-N
rxn:4:212743:228218,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(C5CC5)ncc4F)cc3)CC2)CC1,OBVFIXWYVGUWKY-UHFFFAOYSA-N
rxn:4:212744:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,DHAPWUAVNMZTCW-UHFFFAOYSA-N
rxn:4:212770:225992,CCOC(=O)c1nn2c(c1-c1cn(CC(C)C)nc1C(F)(F)F)CN(C(=O)OC(C)(C)C)CC2,JPLJIFOBHIAXDA-UHFFFAOYSA-N
rxn:4:212816:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1,GACHBGFULXMADC-UHFFFAOYSA-N
rxn:4:212939:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)c1,HCJOJEORLVASLE-UHFFFAOYSA-N
rxn:4:212966:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,SYAAQHSMUIZMCR-UHFFFAOYSA-N
rxn:4:212966:225829,CC1CCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,OGEHVURQMLINNX-UHFFFAOYSA-N
rxn:4:212966:226046,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(C(F)(F)C(F)(F)F)c3)cn2)C1,FXHUCYYORRHFNN-UHFFFAOYSA-N
rxn:4:212970:223579,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,GGKMCHAXUOASMF-UHFFFAOYSA-N
rxn:4:212971:224247,CC1CCN(C(=O)c2ccc(-c3nnc(C4CCCN(C(=O)OCc5ccccc5)C4)s3)c(F)c2)CC1,ZVBWWGJHTSYJKD-UHFFFAOYSA-N
rxn:4:213007:224588,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC(C)CC5)c4)cn3)C2)cc1F,BMBPPPPGGOVQIL-UHFFFAOYSA-N
rxn:4:213039:223671,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,VDQBFGKXZZZPBK-UHFFFAOYSA-N
rxn:4:213039:226235,CCCCOc1ccc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)n1,KMBCCZAKOWQDNH-UHFFFAOYSA-N
rxn:4:213040:222492,Cc1nc(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,HCXONROMSHORQH-UHFFFAOYSA-N
rxn:4:213041:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cnc1Cl,YTHNAUVPAMYFFK-UHFFFAOYSA-N
rxn:4:213046:224268,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1,VIAANJGPFPBUAA-UHFFFAOYSA-N
rxn:4:213073:223576,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,TTZRDGXZDBBCRM-UHFFFAOYSA-N
rxn:4:213073:224964,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc(COC3CCOCC3)cc2)CC1,XXBGWPKCYVSXCM-UHFFFAOYSA-N
rxn:4:213078:223520,CC(c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JGVKMIFOYMRLBK-UHFFFAOYSA-N
rxn:4:213079:223506,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,LGHUTCLXQYNQGH-UHFFFAOYSA-N
rxn:4:213079:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cnc1Cl,NUHWORVEYTUHMB-UHFFFAOYSA-N
rxn:4:213081:226661,CN1CCN(c2csc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)c2)CC1,BBFZEWJEZYAVOS-UHFFFAOYSA-N
rxn:4:213093:224268,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c(C#N)c2)CC1,VCMXFARNKCXKPQ-UHFFFAOYSA-N
rxn:4:213094:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,BLZOYAHYUPACOB-UHFFFAOYSA-N
rxn:4:213094:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,YAGLGCPCYZVISN-UHFFFAOYSA-N
rxn:4:213094:224272,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)CC1,UQASHOAAQJBXMA-UHFFFAOYSA-N
rxn:4:213095:226857,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cc(OC(F)(F)F)ccc2F)CC1,SHJMQBDKTNAAGF-UHFFFAOYSA-N
rxn:4:213097:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1,MHYXTLYFNAWFRU-UHFFFAOYSA-N
rxn:4:213109:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5)CC4)nc3)c(F)c2)CC1,VRHKJNJXHQQFSI-UHFFFAOYSA-N
rxn:4:213109:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,XKFFMGQQPBJXBZ-UHFFFAOYSA-N
rxn:4:213110:224773,Cc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4)C3)nc2)ccc1S(=O)(=O)N1CCCC1,GSTXUFPUFKUIHZ-UHFFFAOYSA-N
rxn:4:213126:223504,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)nc2)CC1,CWXJTWSHHUKCEG-UHFFFAOYSA-N
rxn:4:213128:223888,COc1nc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cn1C1CCCN(C(=O)OC(C)(C)C)C1,WDBMOUVDBSRDPL-UHFFFAOYSA-N
rxn:4:213128:226382,COc1nc(-c2cnc(C3CCCCC3)nc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,QQUQRKAQZHIKJY-UHFFFAOYSA-N
rxn:4:213129:223904,COc1nc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,PFSVQNUXEYSDSQ-UHFFFAOYSA-N
rxn:4:213130:223937,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,JVWNMXUNEMIVCT-UHFFFAOYSA-N
rxn:4:213139:222929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2[N+](=O)[O-])CC1,MPYXROQQBPQISR-UHFFFAOYSA-N
rxn:4:213139:225233,CC1CCCN(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cnc2Cl)C1,NLGPJRQGAIAFJB-UHFFFAOYSA-N
rxn:4:213143:223889,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc2[N+](=O)[O-])CC1,BYYICFVBTHWMNG-UHFFFAOYSA-N
rxn:4:213147:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WBJYJAJNEDKQET-UHFFFAOYSA-N
rxn:4:213164:227279,CC(C)n1nc(C2CC2)cc1-c1cnc(OCC2CCCN(C(=O)C3CCCC3)C2)nc1,JDKUSWXWNSRWQI-UHFFFAOYSA-N
rxn:4:213191:223941,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)nc2)CC1,NLFXHEXBXPIIGM-UHFFFAOYSA-N
rxn:4:213205:224015,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)C2)nc1,BDSQAYSUKJUETL-UHFFFAOYSA-N
rxn:4:213217:223578,CCN1CCN(c2ncc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2C(=O)OC(C)(C)C)CC1,PLDLLALXYFKXBB-UHFFFAOYSA-N
rxn:4:213236:223481,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cn3)C2)cc1C,RBXVQTBHQJRBIH-UHFFFAOYSA-N
rxn:4:213236:223695,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)C2)cc1C,PPLKAAQHNBXQQJ-UHFFFAOYSA-N
rxn:4:213246:223532,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,GQQHCRHBGWHXFX-UHFFFAOYSA-N
rxn:4:213260:226619,Cc1nc(N2CCCC2)ncc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,DQOTWMYEZFWWDD-UHFFFAOYSA-N
rxn:4:213260:228460,COc1ncnc(OC)c1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,WBOVOUUOVVNIGM-UHFFFAOYSA-N
rxn:4:213260:228864,CCOc1ncc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cn1,HHGZHONMSQUCPC-UHFFFAOYSA-N
rxn:4:213289:223592,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,PLTFQFJABLPWSO-UHFFFAOYSA-N
rxn:4:213320:222928,COC(=O)c1nc(-c2cnc(N3CCC(O)CC3)nc2C)n2c1CN(C(=O)OC(C)(C)C)CC2,PWLVXBVCVVDHLO-UHFFFAOYSA-N
rxn:4:213320:227468,CCN(CC)c1ncc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)cn1,NVTUNCBTOJLHOC-UHFFFAOYSA-N
rxn:4:213388:223106,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4cnc(N5CCC(O)C5)nc4Cl)ccnc32)CC1,HCZGRBRLCVSCSY-UHFFFAOYSA-N
rxn:4:213428:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)c1,GKOARFUHQVROTK-FLDQDSGZSA-N
rxn:4:213428:224290,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)ccc3c2)[nH]1,WGIXZYUFLXFWLA-PMERELPUSA-N
rxn:4:213474:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)C(F)(F)c1cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc1-3)cn2C(=O)OC(C)(C)C,BRKFGTNFWQBCPJ-UMSFTDKQSA-N
rxn:4:213474:224158,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)ccc2-3)[nH]1,JZCQNUMIRGDPET-XIFFEERXSA-N
rxn:4:213474:227222,CCN(CC)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cn1,CVBBWQZQENLIMT-PMERELPUSA-N
rxn:4:213476:228643,Cc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c(C)c1Cl,YFEAVOCVFNPOBE-LWJGNWBBSA-N
rxn:4:213476:229033,Cc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1Cl,QRQKGCUHQWWXAJ-HUJZWHOUSA-N
rxn:4:213590:224658,COC(=O)[C@@H]1CCCN1C(=O)c1ncc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)cn1,GYLDCTFXALNGQZ-FQEVSTJZSA-N
rxn:4:213660:223500,CCOC(=O)N1CCN(c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,RNBYBABVGCTDLM-UHFFFAOYSA-N
rxn:4:213672:223581,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc3cccc(C(=O)OC)c3n2C(=O)OC(C)(C)C)CC1,LCKPXVRTACKXCO-UHFFFAOYSA-N
rxn:4:213766:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)ccn2)CC1,WVHFBDGKXOFDSY-UHFFFAOYSA-N
rxn:4:213770:223931,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1,XOKPTPAZURHBPH-UHFFFAOYSA-N
rxn:4:213798:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)cn1,ILKJDKMFIRAXBP-UHFFFAOYSA-N
rxn:4:213800:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ncn3)c(F)cn2)CC1,KDXXTWAVGAGPER-UHFFFAOYSA-N
rxn:4:213801:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cc2)C1,MOFIOLMKASMQNZ-UHFFFAOYSA-N
rxn:4:213835:223937,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,OFYPZKZXNJOZDD-UHFFFAOYSA-N
rxn:4:213838:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c[nH]nc3C3CCN(C(=O)OC(C)(C)C)CC3)cc21,ZMIWJBGGXGAAFY-UHFFFAOYSA-N
rxn:4:213838:223649,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,RQGMHJFBVZCWOZ-UHFFFAOYSA-N
rxn:4:213839:225600,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cccnc2OC2CCCCC2)CC1,BZBAINKXPUJBGB-UHFFFAOYSA-N
rxn:4:213865:224009,COc1ccc(-c2cnccc2OC2CCN(S(=O)(=O)c3c(C)noc3C)C2)cc1S(=O)(=O)N1CCOCC1,LWHVPNFNLHEWIP-UHFFFAOYSA-N
rxn:4:213865:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2c(C)noc2C)C1,NCKWBZNVVWCYMQ-UHFFFAOYSA-N
rxn:4:213868:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)c(F)c2)CC1,MMYOLGVWRQTADB-UHFFFAOYSA-N
rxn:4:213871:223658,O=S(=O)(c1ccc(F)c(F)c1)N1CCCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cn2)C1,DPZBRIZVMHUDAB-UHFFFAOYSA-N
rxn:4:213877:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1,YLVCFCWKKCIQNW-UHFFFAOYSA-N
rxn:4:213879:224160,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,YSYWJHXUWUYWET-UHFFFAOYSA-N
rxn:4:213880:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,QWDJVERHRXAWHQ-UHFFFAOYSA-N
rxn:4:213884:223992,Cc1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,JTMFXLUBTFJIFS-UHFFFAOYSA-N
rxn:4:213886:223594,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,IRGNJLWTZLSFNS-UHFFFAOYSA-N
rxn:4:213887:223774,COc1cccc2c1cc(-c1ncc(C3CCN(C(=O)OC(C)(C)C)CC3)cn1)n2C(=O)OC(C)(C)C,FEKIRKPIIMYHQZ-UHFFFAOYSA-N
rxn:4:213887:226502,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccn(C(=O)OC(C)(C)C)c3)nc2)CC1,UEAPWIUHVBDYPL-UHFFFAOYSA-N
rxn:4:213891:223578,CC(C)(C)OC(=O)N1CCCC(c2cnc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cn2)C1,QZOSWBIZKAVLBU-UHFFFAOYSA-N
rxn:4:213900:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc12,NUSYZEBCDLNLAF-UHFFFAOYSA-N
rxn:4:213900:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,JGZLBMUUBLFWND-UHFFFAOYSA-N
rxn:4:213900:224272,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cn2)C1,SPMYRMUOYKSKQW-UHFFFAOYSA-N
rxn:4:213902:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2Cl)CC1,CQTAUBKZPXKDPW-UHFFFAOYSA-N
rxn:4:213920:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccc([N+](=O)[O-])c2N2CCN(Cc3ccccc3)CC2)CC1,SIPFRSUAVQSULP-UHFFFAOYSA-N
rxn:4:213941:223592,Cc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,OCMXQLDPRFUEDT-UHFFFAOYSA-N
rxn:4:213942:226736,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(F)(F)F)cc1C#N,QSXYCQWFYFKZQB-UHFFFAOYSA-N
rxn:4:213943:225227,CC1CCN(c2ncc(-c3cn[nH]c3C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,WPPUOMSGMIXNKS-UHFFFAOYSA-N
rxn:4:213944:224158,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)[nH]1,YRILPOIVBZGYRX-UHFFFAOYSA-N
rxn:4:213944:225899,Cc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)n(C(=O)OC(C)(C)C)n1,VKWHIPADILZDOB-UHFFFAOYSA-N
rxn:4:213945:227610,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccn(C3CCCCO3)n2)c1,FPJVDBDPHGUIRP-UHFFFAOYSA-N
rxn:4:213947:226382,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2cnc(C3CCCCC3)nc2)n1,IUAHUNDCDIOPHE-UHFFFAOYSA-N
rxn:4:213966:224810,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,YBGSFSVNFVREOK-UHFFFAOYSA-N
rxn:4:213969:226901,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,GOWXTJBFFWPKQK-UHFFFAOYSA-N
rxn:4:213974:225394,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc(C4CCC4)cc(C4CC4)c3)n2)CC1,ONHSRYBJSVSFHP-UHFFFAOYSA-N
rxn:4:213982:222813,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)ncn1,XJLKSYXPKPBFCX-UHFFFAOYSA-N
rxn:4:213987:226579,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)cc(C(=O)N(C)C)c1,UTSSPXNFPURVGU-UHFFFAOYSA-N
rxn:4:213990:223106,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCC(O)C2)nc1Cl,HHSOQMMMJCTEQC-UHFFFAOYSA-N
rxn:4:213996:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)c1,OHYPCEATAJENOL-UHFFFAOYSA-N
rxn:4:214011:223748,Cc1nn(S(=O)(=O)c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,VFWQAEDEWRRPOL-UHFFFAOYSA-N
rxn:4:214034:228970,O=C(c1cccc(-c2ccc(C(F)(F)F)s2)c1)N1CCN(C(=O)N2CCCCC2)CC1,GKKNAPIKRPIWEI-UHFFFAOYSA-N
rxn:4:214047:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C,FRENAFXRHCKGQX-UHFFFAOYSA-N
rxn:4:214051:224397,CC(C)c1sc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,WBZAHTQDENYCNT-UHFFFAOYSA-N
rxn:4:214064:222948,CS(=O)(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2N2CCOCC2)CC1,MZDYXLDTZUHCKH-UHFFFAOYSA-N
rxn:4:214079:222857,COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)cc(C2CCNCC2)c1,FMHKLXUGZRSYKZ-UHFFFAOYSA-N
rxn:4:214082:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,AMWCJXJDVMJPQS-UHFFFAOYSA-N
rxn:4:214086:226344,COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)c(C2CC2)cc1Cl,QXMWGRUMVYYMDX-UHFFFAOYSA-N
rxn:4:214135:223982,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCN(S(=O)(=O)CC)CC3)cc2)nc2n1CCOC2,SPQMEKMDFZRCIF-UHFFFAOYSA-N
rxn:4:214135:224760,CCN(CC)S(=O)(=O)c1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2n1CCOC2,IMVUWVJOXKGZOM-UHFFFAOYSA-N
rxn:4:214135:225607,CCN(CC)S(=O)(=O)c1c(-c2ccc(C(C)N3CCCCC3)s2)nc2n1CCOC2,LVMFQCISDMEPMB-UHFFFAOYSA-N
rxn:4:214153:225871,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cccc(N4C(=O)C=CC4=O)c3)cnn2C1,ZYHIYWZGIDHIIL-MRXNPFEDSA-N
rxn:4:214179:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccn4cnc(C5CN(C(=O)OC(C)(C)C)C5)c4c3)cc2)CC1,WABLMZXXEGWZAJ-UHFFFAOYSA-N
rxn:4:214180:223520,CC(c1ccc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CZPDOVNBRZZWEF-UHFFFAOYSA-N
rxn:4:214180:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)CC1,WCRMDHQCWCFMMT-UHFFFAOYSA-N
rxn:4:214201:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(N2CC3CC(C2)N3C(=O)OC(C)(C)C)nc1,IGYOHIVHTRODFT-UHFFFAOYSA-N
rxn:4:214201:226235,CCCCOc1ccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c(C)n1,QGOBNCDNBWOGQQ-UHFFFAOYSA-N
rxn:4:214234:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)c1,GTZYLSDHLYUKJN-UHFFFAOYSA-N
rxn:4:214256:227390,CC(C)(C)OC(=O)N1CCc2c(c(-c3ccnn3C3CCCCC3)nn2C2CCOC2)C1,IHRWCTQVOKLMFS-UHFFFAOYSA-N
rxn:4:214276:222948,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)cnc3[nH]2)CC1,DKOQJRDMGLKOGW-UHFFFAOYSA-N
rxn:4:214304:228737,COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(C)n1,DBQZGUKCZKEMSA-UHFFFAOYSA-N
rxn:4:214304:228889,CCc1nc(Cl)ncc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,LBBAYTUCSKZUMZ-UHFFFAOYSA-N
rxn:4:214321:223528,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc32)CC1,NJCAZKXFDXWAFW-UHFFFAOYSA-N
rxn:4:214334:223588,Cc1cc(-c2ccccc2S(=O)(=O)n2ccc3c(CN4CCN(C)CC4)cccc32)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,XCNUYIKKBLCTHH-UHFFFAOYSA-N
rxn:4:214449:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(Cl)nc2N(C(C)=O)C(C)=O)CC1,IPEAFSDQSWXWQG-UHFFFAOYSA-N
rxn:4:214632:222432,COC(=O)C1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,XJTMVAAMOVIREK-UHFFFAOYSA-N
rxn:4:214705:224267,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cn2)CC1,QMVXTYTZSJXNQJ-UHFFFAOYSA-N
rxn:4:214707:225324,CC(C)CCn1cc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)c(C(F)(F)F)n1,ZSAIWEZUFKXYIX-UHFFFAOYSA-N
rxn:4:214734:225636,CC1CCN(c2cc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)ccn2)CC1,DMIUHWVIJJJPSR-UHFFFAOYSA-N
rxn:4:214753:224180,CC(C)N1CCN(C(=O)c2ncc(-c3ccccc3OCCN3CCN(C)CC3)cc2Cl)CC1,WNVUQGHRVDRQAQ-UHFFFAOYSA-N
rxn:4:214857:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCC(c5ccn(C)n5)CC4)cc3)cc2C)CC1,JRZLBCJWZKWHGI-UHFFFAOYSA-N
rxn:4:214871:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,AWXYDRYRHDRYMG-UHFFFAOYSA-N
rxn:4:215027:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cc2)CC1,FAYKVPWVEIKBCR-UHFFFAOYSA-N
rxn:4:215096:223579,CC1c2cnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)n2CCN1C(=O)OC(C)(C)C,HDFKQFSMQPVVEG-UHFFFAOYSA-N
rxn:4:215096:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)cc1,FVLVXAVDBWZBGV-UHFFFAOYSA-N
rxn:4:215099:224378,C[C@@H]1Cn2ncc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2CN1C(=O)OC(C)(C)C,YPAFQVPCVNHCHQ-OAHLLOKOSA-N
rxn:4:215101:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)ccn2)CC1,GBSTXBNJXQNBSZ-UHFFFAOYSA-N
rxn:4:215101:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,YYRVMQBNKSSEHU-UHFFFAOYSA-N
rxn:4:215101:224688,CC(C)(C)OC(=O)N1CCc2cnc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)n2CC1,BTXOMMRCVPWCKB-UHFFFAOYSA-N
rxn:4:215109:223695,Cn1nc2c(c1-c1cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)CN(C(=O)OC(C)(C)C)CC2,ATDFJTQFYNQGHO-UHFFFAOYSA-N
rxn:4:215219:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)cc2C1,KGHQCTKPURHWAP-UHFFFAOYSA-N
rxn:4:215296:225711,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(OCC(OC)OC)cc3)cc1C1CC(c3ccccc3)=NN12,UESGTXSAGRQEIR-UHFFFAOYSA-N
rxn:4:215482:223507,CCc1c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nnn1C1CC1,DEDOKWDIIXYNHC-UHFFFAOYSA-N
rxn:4:215679:223598,COc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)nnn1C1CCCC1,OGTQXBKDRKMEKJ-UHFFFAOYSA-N
rxn:4:215679:223637,COc1c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)nnn1C1CCCC1,TZQFLXWGGBXHIA-UHFFFAOYSA-N
rxn:4:215687:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])CC1,VHMPKTGIPYWOMR-UHFFFAOYSA-N
rxn:4:215824:223687,COC1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,VDXJFQIJRUWASN-UHFFFAOYSA-N
rxn:4:215897:223699,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,CPSNNCZTMJNSTF-UHFFFAOYSA-N
rxn:4:215925:223697,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)n1,DTHOVGKEMBKLGU-UHFFFAOYSA-N
rxn:4:215929:223777,CSc1ncc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c(N2CCCCCC2)n1,WBRNYYLEBHPIGK-UHFFFAOYSA-N
rxn:4:215986:222621,CC(C)Cc1cc(-c2nc(N3CCC(C)CC3)cc(C(C)(C)C)n2)cc(C2CCCNC2)n1,UIDZZVVOBKYXCT-UHFFFAOYSA-N
rxn:4:216146:224407,CN(C)S(=O)(=O)c1c(-c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)nc2n1CCOC2,OWPLKMQWHGMZOV-UHFFFAOYSA-N
rxn:4:216417:223482,CCn1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1,PNBFUMVLHRVZCZ-UHFFFAOYSA-N
rxn:4:217184:223687,CC1CCN(c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncn2)CC1,DUQROUPZBFLLBJ-UHFFFAOYSA-N
rxn:4:217204:222389,Cc1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(N2CCC(C)CC2)n1,XTTIBCDDVLBHKB-UHFFFAOYSA-N
rxn:4:217655:223589,CC(=O)N1CCc2[nH]nc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c2C1,YHWHIFKPAKIEGY-UHFFFAOYSA-N
rxn:4:217898:223669,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)CCCC3,TXCJTHNZLPVBCF-UHFFFAOYSA-N
rxn:4:218521:223528,CN1Cc2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2CS1(=O)=O,LDJJJGLFHULQQB-UHFFFAOYSA-N
rxn:4:218578:226421,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(Cl)cc3N3CCCC3)cn2)CC1,GZJRDTMQDJBVHG-UHFFFAOYSA-N
rxn:4:218615:223264,CNC(=O)c1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)C3)cn2)ccc1F,UNNYEVUTHLVVGG-UHFFFAOYSA-N
rxn:4:218642:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)cc2)CC1,WMLYJSZLPZOCJH-UHFFFAOYSA-N
rxn:4:218642:223975,CC(C)(C)OC(=O)n1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c2)c2nc(Cl)ccc21,MHRGCECPVSRPGL-UHFFFAOYSA-N
rxn:4:218655:223536,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,UFKDJPLGPZZBHK-UHFFFAOYSA-N
rxn:4:218695:224597,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C5CC5)cc(N5CCOCC5)c4)c3C)CC2)cc1,HORAGQDMDDTOGU-UHFFFAOYSA-N
rxn:4:218695:225982,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(N5CCOCC5)cc4F)c3C)CC2)cc1,MPEXCXXROXBNMA-UHFFFAOYSA-N
rxn:4:218706:224991,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C5CC5)nc(N5CCCC5)c4)c3C)CC2)cc1C,BTZBYTYVDIWYBO-UHFFFAOYSA-N
rxn:4:218775:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCCCC5)CC4)c3)cc2)CC1,AVUSDPXYNIFBOL-UHFFFAOYSA-N
rxn:4:218778:223531,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc(Cl)cc32)cc(C)c1F,XTJRPAJAMMDLEA-UHFFFAOYSA-N
rxn:4:218778:225244,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cncc(-c5cccc(F)c5F)c4)cc(Cl)cc32)cc(C)c1F,QLFYJMWRHIHXKB-UHFFFAOYSA-N
rxn:4:218815:225047,Cc1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)cnc1N1CCC(C)CC1,AATCWQKLCLPSOQ-UHFFFAOYSA-N
rxn:4:218964:227386,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnn(C5CCCCC5)c4)cn3)C2)CC1,BIHOFEWAELIBHD-UHFFFAOYSA-N
rxn:4:218964:227492,COc1ncnc(C2CC2)c1-c1cnn(CC2CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1,DDGXAGNRPOMWHV-UHFFFAOYSA-N
rxn:4:218972:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)cc2)CC1,DLKUTRCXFKHDBJ-UHFFFAOYSA-N
rxn:4:218992:227081,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(N5CCCC5)cc4)cn3)C2)CC1,SPWLCUAGGPKOFY-UHFFFAOYSA-N
rxn:4:219011:224280,CN(c1cnc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,UCCGXHJOFLDMMG-UHFFFAOYSA-N
rxn:4:219012:227385,Cc1nc(C(C)(C)C)ncc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,PJOOJCKMVXUFJK-UHFFFAOYSA-N
rxn:4:219033:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc2)CC1,GUOUNBWKDXZZOF-UHFFFAOYSA-N
rxn:4:219033:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc2)CC1,ZPUVFOKVKUIRBV-UHFFFAOYSA-N
rxn:4:219041:223498,CC(C)Oc1ccc(-c2noc(-c3nn(-c4cccc(-c5ccc(C(=O)N6CCCN(C(=O)OC(C)(C)C)CC6)cc5)c4)ccc3=O)n2)cc1,RFNFGYQKKMAFRI-UHFFFAOYSA-N
rxn:4:219047:222426,COc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,DVIGZCHXXPWFAG-UHFFFAOYSA-N
rxn:4:219047:223596,COc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,FBORGPMPGYNESN-UHFFFAOYSA-N
rxn:4:219051:223888,CN(c1cnc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,RKNZOHYQAVPKFD-UHFFFAOYSA-N
rxn:4:219051:227282,CC(C)c1ncc(C#N)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,MJBKOASRKFLXJC-UHFFFAOYSA-N
rxn:4:219053:222947,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(N5CCCC(O)C5)nc4Cl)c3)cn2)CC1,SIMQIEZNPIBOIX-UHFFFAOYSA-N
rxn:4:219053:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)c2)CC1,BBHAHAJOZLTMFG-UHFFFAOYSA-N
rxn:4:219062:223748,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)C1,KRLUTRRRPOVMHE-UHFFFAOYSA-N
rxn:4:219071:222847,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C#N)cc(C6CCCNC6)c5)cc4)CC3)n[nH]2)cc1,DYTNPAGHMBSYDB-UHFFFAOYSA-N
rxn:4:219071:223845,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)CC3)n[nH]2)cc1,LAWWXOQNHNMNFW-UHFFFAOYSA-N
rxn:4:219076:222791,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cc3)n[nH]2)CC1,RINANMVHSOYLFO-UHFFFAOYSA-N
rxn:4:219128:222848,CCc1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)cc(C2CCCNC2)n1,QAZMCIBGQLJFSJ-UHFFFAOYSA-N
rxn:4:219221:222715,CC(C)(C)OC(=O)Nc1cc(-c2nc([N+](=O)[O-])nn2CC(=O)C(C)(C)C)cc(Cl)c1F,ICNLHSFXEKYVRX-UHFFFAOYSA-N
rxn:4:219221:224060,COc1c(C(C)(C)C)cc(-c2nc([N+](=O)[O-])nn2CC(=O)C(C)(C)C)cc1C(C)(C)C,OGSLGUDXXGSKAC-UHFFFAOYSA-N
rxn:4:219243:224688,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)n2)C1,MQPDAEPRAAXNSJ-UHFFFAOYSA-N
rxn:4:219334:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,XGQYXCPFXDKQIC-UHFFFAOYSA-N
rxn:4:219334:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1Cl,GCLPTNOKNKQXEV-UHFFFAOYSA-N
rxn:4:219354:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,NWQCTJMYMARJPS-UHFFFAOYSA-N
rxn:4:219369:223812,Cn1c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,UPYBVIZDUSZFQT-OAQYLSRUSA-N
rxn:4:219369:225613,Cn1c(-c2ccnc(OC3CCCCC3)c2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,VJLQGJBGNQTMSQ-GOSISDBHSA-N
rxn:4:219369:225877,Cn1c(-c2ccc(Cl)cc2N2CCOCC2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,XGBFOWWUGUJJLL-QGZVFWFLSA-N
rxn:4:219372:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)c1,FQXJOAUNSAEQDJ-UHFFFAOYSA-N
rxn:4:219372:222971,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(NC(=O)C(C)(C)C)cc2)CC1,JGGXYYHTLOROTF-UHFFFAOYSA-N
rxn:4:219372:224270,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cn(C(=O)OC(C)(C)C)c3ncccc23)CC1,MWIDFCGNQXPTQN-UHFFFAOYSA-N
rxn:4:219374:224162,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)nn2)CC1,PPSOODLRKGZHLZ-UHFFFAOYSA-N
rxn:4:219375:223883,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)nn2)C1,SXIZXUFIUASADR-UHFFFAOYSA-N
rxn:4:219381:222946,CSc1ncc(-c2cnc(N3CCCCC3O)nc2Cl)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,KHVPBSNMBFZTAR-UHFFFAOYSA-N
rxn:4:219391:224752,Cc1nc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCCC4)cc3C)C2)cc(C(F)(F)F)n1,DHKCLZUXPPIIPI-UHFFFAOYSA-N
rxn:4:219401:223933,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)s2)CC1,PPKZZTZHMVUKQH-UHFFFAOYSA-N
rxn:4:219401:224604,Cc1nc2cc(-c3nnc(N4CCCN(C(=O)OC(C)(C)C)CC4)s3)c(F)cc2n1C(C)(C)C,ZJGFYHBHJDTMLB-UHFFFAOYSA-N
rxn:4:219401:226675,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3cnc(C4CCCC4)nc3Cl)s2)CC1,SQPJMINBOHUGSU-UHFFFAOYSA-N
rxn:4:219403:225284,CC(C)Cc1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cnc1C(F)(F)F,JYTHLCLTCCAJAR-UHFFFAOYSA-N
rxn:4:219404:225758,CC(C)(C)OC(=O)c1cnccc1-c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,JDTWWYUBVVZXOG-UHFFFAOYSA-N
rxn:4:219405:224159,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cccc4c3ccn4C(=O)OC(C)(C)C)n2)CC1,JWVALVDSCDVBNU-UHFFFAOYSA-N
rxn:4:219452:225794,Cc1nc(-c2cnc(OC3CCCCC3)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,QWFHTVCPCMMZGD-UHFFFAOYSA-N
rxn:4:219453:225226,CC1CCN(c2cc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)c(F)cn2)CC1,SSXRLGADOWPXFI-UHFFFAOYSA-N
rxn:4:219454:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C,CIEQTTHWHLCOHL-UHFFFAOYSA-N
rxn:4:219454:227403,Cc1c(-c2ccc(N3CCCCC3)s2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,GRNVSCNPPMZMJG-UHFFFAOYSA-N
rxn:4:219469:225975,CSc1ncc(-c2ccnc(N3CCOCC3)c2Cl)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,LIVYQNTWZTZSRB-UHFFFAOYSA-N
rxn:4:219477:222950,CONS(=O)(=O)c1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)ccc1OC,WDRFFDNPORWPFV-UHFFFAOYSA-N
rxn:4:219487:223888,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cn2)CC1,VVNJBRZQARGFSP-UHFFFAOYSA-N
rxn:4:219511:223810,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(n3nc(-c4ccncc4)ccc3=O)C2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,MYAXOUMHNBYCTB-UHFFFAOYSA-N
rxn:4:219515:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1nnc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1,QXKRNCFQTAFWGE-UHFFFAOYSA-N
rxn:4:219529:228327,COc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cnc1OC,VUWADKHEHOXCMA-UHFFFAOYSA-N
rxn:4:219531:225987,CSc1ncc(-c2ccc(N3CCCS3(=O)=O)cc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,GRZSFJKYLDSBCK-UHFFFAOYSA-N
rxn:4:219539:223939,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,GFJOBTUXORSXEA-UHFFFAOYSA-N
rxn:4:219543:225683,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCOC5)nc4C)cc3)CC2)n1,TVUPMAMXXPXYBU-UHFFFAOYSA-N
rxn:4:219653:224986,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCCCC5)cc4C#N)nc3s2)CC1,WEEUINXSVQVMMV-UHFFFAOYSA-N
rxn:4:219654:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)c1,SUFJBQVLLNFLSG-UHFFFAOYSA-N
rxn:4:219691:224371,COC(=O)C1CCN(c2ncc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cn2)CC1,WHZOQRZFNMEFRL-UHFFFAOYSA-N
rxn:4:219692:223592,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)c3cnc(Cl)nc32)CC1,FGQMHYFJBTXXFQ-UHFFFAOYSA-N
rxn:4:219695:223847,CCCCCC1CCC(c2ccc(-c3ccccc3C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)cc2)CC1,KZJXHEMXKISXNX-UHFFFAOYSA-N
rxn:4:219880:225296,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c(N2CCN(S(C)(=O)=O)CC2)n1,CJGMUNSHXHQYJR-UHFFFAOYSA-N
rxn:4:219880:225303,CSc1ncc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,KNVFPCAGQNHNLC-UHFFFAOYSA-N
rxn:4:219904:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)c2)CC1,LFZXWRDZYKCLHX-UHFFFAOYSA-N
rxn:4:219950:223606,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(N2CCN(C3CCC3)CC2)n1,ODCYFCIUVWMBDB-UHFFFAOYSA-N
rxn:4:219950:224408,CSc1ncc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c(N2CCN(C3CCC3)CC2)n1,DAUVPHPPSWRKIP-UHFFFAOYSA-N
rxn:4:219958:223786,COc1ccccc1N1CCN(c2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cn2)CC1,QVNDBISMFOLCHQ-UHFFFAOYSA-N
rxn:4:219959:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,NDOSPHXVQPQPCY-UHFFFAOYSA-N
rxn:4:219979:223834,Cc1ccnc(N2CCN(Cc3ccccc3-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)CC2)n1,XSZFGVANQPOKBU-UHFFFAOYSA-N
rxn:4:220021:223660,CCCC(=O)N1CCn2nc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)nc2C1,YUCPOAAPZNXGQL-UHFFFAOYSA-N
rxn:4:220034:223970,Cc1ccc(-c2nc3n(n2)CCN(C(=O)CC(C)C)C3)cc1S(=O)(=O)N1CCC(C)CC1,KYRDGFMLAIHEDG-UHFFFAOYSA-N
rxn:4:220038:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)C2,IUTCBIHJDBAJFF-UHFFFAOYSA-N
rxn:4:220041:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1,KRFGVXPZDRNVSD-UHFFFAOYSA-N
rxn:4:220041:223637,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2C1,QWCFJHMSJLADQI-UHFFFAOYSA-N
rxn:4:220041:223903,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)c2C1,VLSXKEWBFHINON-UHFFFAOYSA-N
rxn:4:220069:224727,COC(=O)c1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc(OC(C)(C)C)n1,ZBUVLOSKWIPXSF-UHFFFAOYSA-N
rxn:4:220069:224820,CC(C)(C)OC(=O)N1CCc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC1,SFAWIZMKXWEAOM-UHFFFAOYSA-N
rxn:4:220229:223847,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c(=O)c(-c5noc(C)n5)c5n(c4=O)CCCCC5)cc3)cc2)CC1,GEFGVDMZUYMALY-UHFFFAOYSA-N
rxn:4:220365:223505,Cc1nccn1-c1cc(C2CC2)nc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,JMBZUTZQDPGBJW-UHFFFAOYSA-N
rxn:4:220412:223695,CC(C)N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,VPSLBGNNRNCAPE-UHFFFAOYSA-N
rxn:4:220426:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(N2CCOCC2)nc1N1CCOCC1,CNTRWPAIWHRYSQ-UHFFFAOYSA-N
rxn:4:220440:223696,Cc1nn2c(C(F)(F)F)c(C#N)cnc2c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,YEMOKPVJRWMDKB-UHFFFAOYSA-N
rxn:4:220443:223506,CCC(=O)N1CCn2nc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2C1,SYZKBIWVOQZERN-UHFFFAOYSA-N
rxn:4:220464:224306,O=C(C1CCC1)N1CCn2nc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)nc2C1,QRZZQMGBQUKWDY-UHFFFAOYSA-N
rxn:4:220591:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nnnn1C(C)C,MMTZGRIGBTUJMY-UHFFFAOYSA-N
rxn:4:220807:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCCC2)nn1,VUGHITROTWECFC-UHFFFAOYSA-N
rxn:4:221094:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)c2F)C1,AWKQJCZANLRQIL-UHFFFAOYSA-N
rxn:4:221112:223699,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,MRBLSCBYVFJJOR-UHFFFAOYSA-N
rxn:4:221114:222721,CCOc1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,IVQGSTBCVWNYOZ-UHFFFAOYSA-N
rxn:4:221114:222996,CCOc1ccc(-c2ccc(F)cc2C2CCCNC2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,VWPXDEOLKGDZEL-UHFFFAOYSA-N
rxn:4:221114:225978,CCOc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,LQXQVRHABJGYSY-UHFFFAOYSA-N
rxn:4:221194:225361,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)CC2)cn1C,SEYLAZYBNFAVJB-UHFFFAOYSA-N
rxn:4:221207:223481,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)n1,UMIZGTWQDNHWRB-UHFFFAOYSA-N
rxn:4:221218:223490,Cc1ccc(-c2ccc(OCc3nn4c(-c5ccc(N(C)C)cc5)nnc4s3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZBDAFMCLZJCUJB-UHFFFAOYSA-N
rxn:4:221292:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5cc(C(F)(F)F)ncn5)C4)c3)cc2F)CC1,UIYFUPMDVZEQKL-UHFFFAOYSA-N
rxn:4:221392:223823,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,ZSHADBBNKLDQNO-UHFFFAOYSA-N
rxn:4:221394:222631,CC(C)(C)c1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc(C2CCNCC2)n1,AWCQIKZQYBHLMU-UHFFFAOYSA-N
rxn:4:221394:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,AKRWQOFBIMPWLK-UHFFFAOYSA-N
rxn:4:221419:223773,COc1cccc2cc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,CNHJOZLKERMHSZ-UHFFFAOYSA-N
rxn:4:221419:224963,CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(-c4cccc(COC5CCOCC5)c4)cn3)CC2)n1,QBPYAIMYPKGLDP-UHFFFAOYSA-N
rxn:4:221425:223001,Fc1ccc(C2CCCNC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,CRWRIQWTJXXYMI-UHFFFAOYSA-N
rxn:4:221425:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,UEHSJLJIDDWZIR-UHFFFAOYSA-N
rxn:4:221425:224612,c1cc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc(-c2ccc(OCCN3CCOCC3)cc2)c1,UZFZQUXQANTIKW-UHFFFAOYSA-N
rxn:4:221431:223061,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(C4CCNCC4)ncc3F)CC2)n1,QSXXRHBEZMSWCA-UHFFFAOYSA-N
rxn:4:221433:223481,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)n1,FBNNDMYOCGLPNK-UHFFFAOYSA-N
rxn:4:221442:225576,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(N4CCCC4)c(C#N)c3)CC2)n1,WSIQEOYQJLTWBR-UHFFFAOYSA-N
rxn:4:221522:223929,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cnc6c(c5)CCN(C(=O)OC(C)(C)C)C6)cn4)CC3)cnc2c1,GGRDATPBUIULGV-UHFFFAOYSA-N
rxn:4:221526:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccccc3-c3nnc4sc(-c5cccc(S(=O)(=O)N6CCCCC6)c5)nn34)c2)CC1,XTLMQOAWFDRKIR-UHFFFAOYSA-N
rxn:4:221526:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1-c1nnc2sc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)nn12,RMYXWTDCKACKLN-UHFFFAOYSA-N
rxn:4:221596:223506,COCn1nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1N1CCN(C)CC1,PBTFIXWHJKQVNH-UHFFFAOYSA-N
rxn:4:221596:223697,COCn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)nc1N1CCN(C)CC1,NESBLSACSHWPFA-UHFFFAOYSA-N
rxn:4:221645:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)C1,MJLFSRJMJAWSRH-UHFFFAOYSA-N
rxn:4:221723:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c2)CC1,ZGEIXXFDHJWFMG-UHFFFAOYSA-N
rxn:4:221729:223883,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cn2)CC1,LNDZGIJPYJPOJE-UHFFFAOYSA-N
rxn:4:221731:223935,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)cc2cccc(F)c21,NZCOVWKGMHKZOU-UHFFFAOYSA-N
rxn:4:221887:223845,CN1CCCN(c2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)n[nH]2)CC1,YRDZWGKZURLONX-UHFFFAOYSA-N
rxn:4:221919:222791,CCOc1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,UIFSFYDEMBFPKH-UHFFFAOYSA-N
rxn:4:221971:225206,Cc1cc(C2CC2)c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc1C(F)(F)F,RHHGPDCYQQRKPY-UHFFFAOYSA-N
rxn:4:222152:223886,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,JJVCYHJMMDGCSW-UHFFFAOYSA-N
rxn:4:222154:224760,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)CC2)cc(C(F)(F)F)n1,YPEUAMFHYSFFIS-UHFFFAOYSA-N
rxn:4:222155:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)c2)CC1,UDUOSOMWAWJYTK-UHFFFAOYSA-N
rxn:4:222168:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2C1,RWGBMFQWLKQXNV-UHFFFAOYSA-N
rxn:4:222168:225233,CC1CCCN(c2cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cnc2Cl)C1,GCDDDRKIQMHRIF-UHFFFAOYSA-N
rxn:4:222289:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)c(C(F)(F)F)c1,OTPDVWLICONBOO-UHFFFAOYSA-N
rxn:4:222321:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCN(c5ccnc(N(C)C)n5)CC4)nc3)c2)CC1,FGQJBXGSFMSQCG-UHFFFAOYSA-N
rxn:4:222334:222846,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4C#N)cn3)CC2)n1,WWQDGWINVHSTIF-UHFFFAOYSA-N
rxn:4:222364:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)ccc2F)CC1,XIRKIYYQTPOJKU-UHFFFAOYSA-N
rxn:4:222511:174726,O=C(CC(=O)C(F)(F)F)c1cccc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c1,XXVAWUMPUWJBIJ-UHFFFAOYSA-N
rxn:4:222513:204322,CCOC(=O)c1nn2c(c1-c1cc(S(=O)(=O)NC3CCCCC3)ccc1OC)CCC2,GNMOJRUZOYWVNE-UHFFFAOYSA-N
rxn:4:222513:204418,CCOC(=O)c1c(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)nn2c1O[C@H](C)CC2,HXBPRXSJRLIYMF-OAHLLOKOSA-N
rxn:4:222741:189952,COc1c(Cl)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,MAKSWTDPWJVWEZ-UHFFFAOYSA-N
rxn:4:222841:179653,O=C(NC1CCCC1)c1ccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc1,QMXINCUNMAXDAA-UHFFFAOYSA-N
rxn:4:223540:188339,CCOC(=O)c1oc(C)nc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,AYKMLKYLHLYHLQ-UHFFFAOYSA-N
rxn:4:223540:214911,CCOC(=O)c1nc2ncccn2c1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,NEHDRTVGSJJNGF-UHFFFAOYSA-N
rxn:4:223541:207129,COCC1Cn2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c2O1,AKIGSSUSAXNJLR-UHFFFAOYSA-N
rxn:4:223670:209810,Cc1ncc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)n1C1CCCCC1,YCRGTOIVBJQWDA-UHFFFAOYSA-N
rxn:5:176861:225465:225595,COC(=O)c1ccc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2cccc(C3CCN(C)CC3)c2)c1OC,NSSCWRLJUPKTMW-UHFFFAOYSA-N
rxn:5:176871:223008:225834,COC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)c(OC)cc1-c1cc(C2CCNCC2)ccc1F,ZEWVEHLTLBSSGT-UHFFFAOYSA-N
rxn:5:176871:225832:226464,COC(=O)c1cc(-c2c(OC)ccc3c2OCCO3)c(OC)cc1-c1c(C)nn(C2CCCCO2)c1C,HQONYYARAFWWMR-UHFFFAOYSA-N
rxn:5:177850:222982:227447,CCOc1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)c(C2OCCO2)c1-c1c(F)ccc(C2CC2)c1F,UBUJYRKVCVEGSZ-JOCHJYFZSA-N
rxn:5:177850:223010:225808,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(OC2CCCC2)ncc1F,ZLDYVYBLTAKIMN-UHFFFAOYSA-N
rxn:5:177850:223202:223006,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(F)c(C2CCNCC2)c1,XJCLLWRASAEKQZ-UHFFFAOYSA-N
rxn:5:177850:226052:226142,CCOc1ccc(-c2c(F)ccc(OC(F)(F)F)c2F)c(C2OCCO2)c1-c1cccc(OC2CCCC2)c1,CXIDNLQQYRKXLT-UHFFFAOYSA-N
rxn:5:177851:223002:226197,CCOc1c(-c2ccc(C3CCCOC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2CCNCC2)cc1F,OQHLGCVIZNBYLJ-UHFFFAOYSA-N
rxn:5:177851:225451:225927,CCOc1c(-c2ccc(SC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1cc(C(F)(F)F)ccc1N(C)C,DGPZDGALIUUOSN-UHFFFAOYSA-N
rxn:5:177851:226734:225868,CCOc1c(-c2cccc(S(=O)(=O)N(C)C)c2)cc(C2OCCO2)cc1-c1ccc(N2CCOCC2)c(F)c1,CCAAXVFCYWIXKW-UHFFFAOYSA-N
rxn:5:177851:226836:228340,CCOc1c(-c2cn(C(C)C)nc2C(F)(F)F)cc(C2OCCO2)cc1-c1sc(C2CC2)nc1OC,NWPUZOSGUARJMF-UHFFFAOYSA-N
rxn:5:177891:222993:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(N2CCCCC2O)c1,FVWREXOQKMVGNM-UHFFFAOYSA-N
rxn:5:177891:227450:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(C2CC2(F)F)c1,VPJUEMVRWFTQSB-UHFFFAOYSA-N
rxn:5:177891:227672:226901,Cc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1C(F)(F)F,TYQLSVWXJMFAGR-UHFFFAOYSA-N
rxn:5:177891:227707:227670,CC(F)(F)c1cc(F)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccccc2OC(F)(F)F)c1,ZYBOXNCBNLCFEK-UHFFFAOYSA-N
rxn:5:177891:227825:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(C2CCC2)c1,UFQBJAQCZZNTAJ-UHFFFAOYSA-N
rxn:5:177891:227920:226900,CCC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)cc1,FHZRSHZPSXMZQZ-UHFFFAOYSA-N
rxn:5:177891:228628:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cc(C2CCC2)cs1,XHWSYXUMWKTZRE-UHFFFAOYSA-N
rxn:5:177970:225514:226464,COc1ccc2c(c1-c1cc(OCC3CCCC3)cc(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,WOJDDPFBGAHETI-UHFFFAOYSA-N
rxn:5:178117:225407:226907,c1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2OCC2CCOCC2)c2c(c1)C1(CC2)CC1,REHVXGAMVGLZCY-UHFFFAOYSA-N
rxn:5:178117:226907:225394,c1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCOCC3)c2)c2c(c1)C1(CC2)CC1,VUFVSEIGQIYCIF-UHFFFAOYSA-N
rxn:5:178118:225407:226907,c1cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(OCC3CCCCO3)c2)c2c(c1)C1(CC2)CC1,PBSYHQHKQSCZAG-UHFFFAOYSA-N
rxn:5:178120:226141:226140,COc1ccc(C(C)(C)C)cc1-c1c(OCC2CCOCC2)cccc1-c1ccccc1OC1CCCC1,MYQDBDWYPLJEND-UHFFFAOYSA-N
rxn:5:178121:225820:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(OCC2CCOCC2)c1-c1c(C2CC2)cccc1C(F)(F)F,SBGDDLUNEGDXKH-UHFFFAOYSA-N
rxn:5:178122:225448:227056,COc1cccc(C2CC2)c1-c1cc(-c2cc(C)ccc2OC2CCCC2)ccc1COC1CCCCO1,WHHTYMSWVHAOAA-UHFFFAOYSA-N
rxn:5:178122:225451:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1COC1CCCCO1,LDZUTECVSBHHPZ-UHFFFAOYSA-N
rxn:5:178122:225451:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1COC1CCCCO1,LYHAFTZVLJTLQK-UHFFFAOYSA-N
rxn:5:178122:225451:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1COC1CCCCO1,DOSXBKRZXZVQEL-UHFFFAOYSA-N
rxn:5:178122:225982:226140,COc1ccc(C(C)(C)C)cc1-c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1COC1CCCCO1,CBXJZSUTRLZNIZ-UHFFFAOYSA-N
rxn:5:178122:226464:225514,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,NTDMNOZOJXBJAX-UHFFFAOYSA-N
rxn:5:178122:226968:222995,CC1(C)Cc2ccc(-c3ccc(COC4CCCCO4)c(-c4cccc(N5CCCC(O)C5)c4)c3)cc2O1,GGRLMSBNFVSISL-UHFFFAOYSA-N
rxn:5:178122:226971:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1COC1CCCCO1,PJNOSKXOKDEBLA-UHFFFAOYSA-N
rxn:5:178122:227587:225932,COc1cc(-c2ccc(COC3CCCCO3)c(-c3ccc(N(C)C)c(C(F)(F)F)c3)c2)cc(F)c1OC,WVSIJXGZHDREGM-UHFFFAOYSA-N
rxn:5:178224:225394:226946,CN1CCc2cc(-c3cc(OCC4CCCCC4)cc(-c4cc(C5CCC5)cc(C5CC5)c4)c3)ccc2C1,KPEIBSCLWXGHKT-UHFFFAOYSA-N
rxn:5:178224:225394:226971,c1cc2c(cc1-c1cc(OCC3CCCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c1)CCCOC2,ZVGPSUFQPFEOHH-UHFFFAOYSA-N
rxn:5:178225:226608:223010,CC(C)Oc1c(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3(O)CCOCC3)cc2)ccc(F)c1F,FQFYDXTUPZIIPV-UHFFFAOYSA-N
rxn:5:178226:226900:226901,FS(F)(F)(F)(F)c1ccc(-c2c(OCC3CCCCC3)cccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,QNIQUOIZNIKLFK-UHFFFAOYSA-N
rxn:5:178314:227131:223061,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCOC3)c2)ccc1-c1cc(C2CCNCC2)ncc1F,RUTFXZPKBSUUCF-UHFFFAOYSA-N
rxn:5:178368:226188:226610,CCc1cc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)cc(C(F)(F)F)c1,AVCNLXKDFYYHHU-UHFFFAOYSA-N
rxn:5:178368:226188:226761,CSc1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)cc3C)cc2C)c(C(F)(F)F)c1,OKSMVJFCBFXCBI-UHFFFAOYSA-N
rxn:5:178368:226334:226188,Cc1cc(C(=O)N(C)C)cc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c(C)c3)cc2C)c1,HOYZHRPLBBIWIR-UHFFFAOYSA-N
rxn:5:178368:226761:226188,CSc1ccc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c(C)c3)cc2C)c(C(F)(F)F)c1,KFMAOPJRCPSTPK-UHFFFAOYSA-N
rxn:5:178467:226772:226980,CCOC(=O)C1=Cc2cc(-c3cccc4c3C(=O)CCC4)cc(-c3c(F)cc(C(=O)OC)cc3F)c2OC1,IWGANPXTHXPTRO-UHFFFAOYSA-N
rxn:5:180020:225822:226900,O=C1CCCC1Oc1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1cccc(C(F)(F)F)c1C1CC1,YDGVGWQYYMYSMR-UHFFFAOYSA-N
rxn:5:180022:226037:225445,COc1c(C(F)(F)F)ccc(-c2ccc(-c3ccccc3OC3CCCCC3)c(OC)c2C2OCCO2)c1F,VKXMIIJYQVXWEV-UHFFFAOYSA-N
rxn:5:180022:226187:225617,COc1c(-c2ccc(OC3CCCCO3)cc2)ccc(-c2cccc(C3CCOCC3)c2)c1C1OCCO1,PWEYSSIHHHOPEA-UHFFFAOYSA-N
rxn:5:180202:225631:226349,CN1CCN(c2ccc(-c3ccc(OC4CCOCC4)c(-c4cc(F)cc(OC(C)(C)C)c4)c3)cc2)CC1,ZOVJWQYHBQLTRW-UHFFFAOYSA-N
rxn:5:180297:225449:226731,COc1cc(-c2cccc(OC3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccccc1S(=O)(=O)N(C)C,GLWACOHXGRMDBE-UHFFFAOYSA-N
rxn:5:180297:225588:226856,COc1cnc(C(F)(F)F)cc1-c1cc(C2(C)OCCO2)c(-c2ccccc2CN2CCSCC2)cc1OC,HUFKCJVXVSAOLD-UHFFFAOYSA-N
rxn:5:180297:225625:225671,COc1cc(-c2cc(OC3CCCC3)ccc2F)c(C2(C)OCCO2)cc1-c1cc(C2CCCCC2)ncc1F,LXUUXNHSZOVZRY-UHFFFAOYSA-N
rxn:5:180506:225589:228327,COc1cc(-c2c(-c3ccc(CN4CCSCC4)cc3)cc(C(C)(C)C)cc2C2OCCO2)cnc1OC,HONCUEYYVVWIHR-UHFFFAOYSA-N
rxn:5:180662:223389:225794,COC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC1,CZLBIRUIDNYEER-UHFFFAOYSA-N
rxn:5:180662:226752:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cccc(C(F)(F)F)c3OC)c2OC1,BSLDAEYPMMWHAK-UHFFFAOYSA-N
rxn:5:182947:225832:226427,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cc(N4CCC(C)CC4)cs3)c1)OCCC2=O,UGEKVVBUPKSBOY-UHFFFAOYSA-N
rxn:5:182952:223054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c2c1OCCC2=O,OMVMSXKRYOSKBM-UHFFFAOYSA-N
rxn:5:182953:225832:226835,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cc(C(F)(F)F)nn2C(C)C)ccc2c1OCCC2=O,QASBSONEQWXQFS-UHFFFAOYSA-N
rxn:5:183066:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2c(C)nn(C3CCCCO3)c2C)ccc2c1CCCC2=O,ZPRHGYUOKDGAIM-UHFFFAOYSA-N
rxn:5:188374:226029:225832,CCOc1c(F)c(F)c(-c2cnc(-c3c(C)nn(C4CCCCO4)c3C)cc2CC(=O)OC)c(F)c1F,ANTBZTXFFKNPGE-UHFFFAOYSA-N
rxn:5:189207:225584:226469,CN1C(=O)COc2ccc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3C(=O)ON3C(=O)CCC3=O)cc21,ITBZUJMJQAMEDX-UHFFFAOYSA-N
rxn:5:189207:225871:227824,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(C2CCC2)cc1,NSPOVEXIBCRDSG-UHFFFAOYSA-N
rxn:5:189207:225871:228473,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cc([N+](=O)[O-])ccc1F,WRVYKTWDBVPFHI-UHFFFAOYSA-N
rxn:5:189207:225871:228628,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cc(C2CCC2)cs1,QGTXAXUGZMNICF-UHFFFAOYSA-N
rxn:5:189207:225879:228872,COC(=O)c1sccc1-c1ccc(-c2ccc(N3CCOCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,RFFHUYKHEQQFBQ-UHFFFAOYSA-N
rxn:5:189207:225985:225616,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1ccccc1C(=O)N1CCCC1,BFJKXKKXGPPRIY-UHFFFAOYSA-N
rxn:5:189207:226064:228345,COC(=O)c1sc(C)cc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,STWVZEDUAJAVMZ-UHFFFAOYSA-N
rxn:5:189207:226966:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1C(=O)ON1C(=O)CCC1=O,YAAGPJQOXLSQEH-UHFFFAOYSA-N
rxn:5:189207:227082:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCCC2)ccc1-c1ccccc1N1CCOCC1,RFICPAYDVPHWMS-UHFFFAOYSA-N
rxn:5:189207:227103:228460,COc1ncnc(OC)c1-c1ccc(-c2sccc2C2CCCCC2)cc1C(=O)ON1C(=O)CCC1=O,STHZVQCBMAIPPC-UHFFFAOYSA-N
rxn:5:189207:227452:228002,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3OCCO3)c2)ccc1-c1sccc1C1CCCC1,PXVZYYOLNRLJFB-UHFFFAOYSA-N
rxn:5:189207:227507:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C=C[N+](=O)[O-])c2)ccc1-c1ccccc1N1CCOCC1,DPXXRRBQEAONML-UHFFFAOYSA-N
rxn:5:189207:227680:227120,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1ccc(C2CCC2)cc1F,IJEJSESXOPPBQV-UHFFFAOYSA-N
rxn:5:189207:227680:228502,Cn1cc(C(F)(F)F)c(-c2ccc(-c3cccc4c3OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)n1,IOLNWIABWICMJH-UHFFFAOYSA-N
rxn:5:189207:227863:226763,COC(=O)c1c(F)cc(-c2ccc(-c3ccc4c(c3)CCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc1F,OTQFIDGNQKEZTK-UHFFFAOYSA-N
rxn:5:189207:228703:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cnn(C3CCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,XRXTWVWTPPPWKR-UHFFFAOYSA-N
rxn:5:189208:225616:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,FVACMUFNCSVZSN-UHFFFAOYSA-N
rxn:5:189208:225616:227501,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccc(C=C[N+](=O)[O-])cc1,METYKLODDRBZDW-UHFFFAOYSA-N
rxn:5:189208:225683:229091,CC(=O)c1occc1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1C(=O)ON1C(=O)CCC1=O,IIDOFNDHCKCZLR-UHFFFAOYSA-N
rxn:5:189208:225871:223422,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(/C=N/O)cc1,QZFYRZPMQYRAKP-MUFRIFMGSA-N
rxn:5:189208:225871:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(C2OCCO2)cc1,LZCUCVSWQHDHIZ-UHFFFAOYSA-N
rxn:5:189208:225871:227808,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc2c(c1)CCCC2,ZRMVODKHDAZEJC-UHFFFAOYSA-N
rxn:5:189208:225871:228077,O=C1OCc2ccc(-c3cc(-c4cccc(N5C(=O)C=CC5=O)c4)ccc3C(=O)ON3C(=O)CCC3=O)cc21,SXXGZFBFLILGMQ-UHFFFAOYSA-N
rxn:5:189208:225926:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1cccc(C2CCOCC2)c1,MSRDXESJRMGUOS-UHFFFAOYSA-N
rxn:5:189208:225943:227207,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)cc1-c1cccc2c1OCCC2=O,QWJHHOKJRUMSKF-UHFFFAOYSA-N
rxn:5:189208:225943:228893,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)cc1-c1cccc([N+](=O)[O-])c1,CIIXESRXJIJXGO-UHFFFAOYSA-N
rxn:5:189208:226186:225985,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)cc1-c1cccc(N2CCCS2(=O)=O)c1,XXIHVVKRNAQEQQ-UHFFFAOYSA-N
rxn:5:189208:226333:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1-c1ccccc1C1CCOCC1,IMXBZJAFEHMPEZ-UHFFFAOYSA-N
rxn:5:189208:226411:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1cccc(C(=O)N2CCCC2)c1,KKHJLGWGKQICFJ-UHFFFAOYSA-N
rxn:5:189208:226415:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccccc2N2CCOCC2)ccc1C(=O)ON1C(=O)CCC1=O,RGGOMKBDHPYJBK-UHFFFAOYSA-N
rxn:5:189208:226980:227207,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)cc1-c1cccc2c1OCCC2=O,ADAIMPBALFWXEX-UHFFFAOYSA-N
rxn:5:189208:227203:227588,COc1cc(F)cc(OC)c1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1C(=O)ON1C(=O)CCC1=O,SSDRAYUNRHALHC-UHFFFAOYSA-N
rxn:5:189208:227205:226769,COC(=O)c1cc(F)c(F)c(-c2cc(-c3cccc4c3OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c1,BUCKYGNJAWQFBP-UHFFFAOYSA-N
rxn:5:189208:227205:227529,COC(=O)c1ccc(-c2cc(-c3cccc4c3OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c1,NUWNFPZRRMYGCZ-UHFFFAOYSA-N
rxn:5:189208:227680:226452,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1ccc(C2OCCCO2)cc1,WOJHHFBMUVAHCY-UHFFFAOYSA-N
rxn:5:189208:227863:226826,Cc1cc(-c2cc(-c3ccc4c(c3)CCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c(C(F)(F)F)c1,PQPBWTKPPFIEPO-UHFFFAOYSA-N
rxn:5:189208:228174:225873,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4CCOCC4=O)c3)c2)cc1,ZLHUDYDKSZSLCX-UHFFFAOYSA-N
rxn:5:189208:228502:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2nn(C)cc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,GILXQVASZYNBRQ-UHFFFAOYSA-N
rxn:5:189208:228502:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2nn(C)cc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,SSHFQGUWBRDNTG-UHFFFAOYSA-N
rxn:5:189209:225583:227095,O=C1CC(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccc(C(=O)N5CCCC5)c4)c3)cc2)C1,CIRLQHUABYSHMK-UHFFFAOYSA-N
rxn:5:189209:226142:228077,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(OC3CCCC3)c2)cc(-c2ccc3c(c2)C(=O)OC3)c1,PCBRSPMTCMEOII-UHFFFAOYSA-N
rxn:5:189209:226452:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)cc(-c2cccc(N3CCOCC3=O)c2)c1,UGRNWAQRBAGSMC-UHFFFAOYSA-N
rxn:5:189209:226452:228869,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4OCCCO4)cc3)c2)cs1,IVRHJDVRPRCDER-UHFFFAOYSA-N
rxn:5:189209:228531:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2cccc3c2CCO3)c1,VLHUKLRIJXUKOC-UHFFFAOYSA-N
rxn:5:189210:223269:227679,CC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OC(F)(F)O4)c2C(=O)ON2C(=O)CCC2=O)cc1F,PKWGJHFRKZNMJK-UHFFFAOYSA-N
rxn:5:189210:223389:227800,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2cc(F)nc(C(F)(F)F)c2)c1C(=O)ON1C(=O)CCC1=O,HSADMSYYOCAPNX-UHFFFAOYSA-N
rxn:5:189210:225832:229232,CCc1ncsc1-c1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(=O)ON1C(=O)CCC1=O,ZRIMZCLGSPOZBX-UHFFFAOYSA-N
rxn:5:189210:226164:228866,COCc1noc(C)c1-c1cccc(-c2ccc(N3CCCCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,DOWCOQZPNNOXHA-UHFFFAOYSA-N
rxn:5:189210:226176:227501,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C=C[N+](=O)[O-])cc2)cccc1-c1ccncc1C1CCCCC1,WHTHYGHYCZFCCM-UHFFFAOYSA-N
rxn:5:189210:226185:228343,COC(=O)c1sc(-c2cccc(-c3ccc(C4CCOCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1C,GMNPCPZNVGXNGK-UHFFFAOYSA-N
rxn:5:189210:226333:226411,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(N3CCOCC3)cc2)cccc1-c1cccc(C(=O)N2CCC2)c1,NGBNAAKAGXACOA-UHFFFAOYSA-N
rxn:5:189210:226413:226413,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCOCC3)c2)cccc1-c1cccc(N2CCOCC2)c1,ZXLWNVOBXNSVFC-UHFFFAOYSA-N
rxn:5:189210:226413:227918,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(SC3CC3)cc2)cccc1-c1cccc(N2CCOCC2)c1,WFVPACWOUQYXDX-UHFFFAOYSA-N
rxn:5:189210:226415:227506,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(/C=C/[N+](=O)[O-])c2)cccc1-c1ccccc1N1CCOCC1,QAQGRIMAHDNNQI-BUHFOSPRSA-N
rxn:5:189210:227452:227452,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C3OCCO3)c2)cccc1-c1cccc(C2OCCO2)c1,GQTSHJGXFLHUFS-UHFFFAOYSA-N
rxn:5:189211:225450:228601,CC(=O)c1ccccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C(=O)C2CCCC2)cc1,JGGHNCZGVGJSPR-UHFFFAOYSA-N
rxn:5:189211:226084:228079,O=C1CCCCc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cccc4c3COC4=O)cc21,KTKXUESTHOMJFN-UHFFFAOYSA-N
rxn:5:189211:226150:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(SC3CCCC3)c2)c1-c1cccc(N2CCOCC2=O)c1,DKYZIGXWNHVXQS-UHFFFAOYSA-N
rxn:5:189211:227085:227501,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCCC3)nc2)c1-c1ccc(C=C[N+](=O)[O-])cc1,ZAJXUKXGXIUZBL-UHFFFAOYSA-N
rxn:5:189211:227501:227680,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1cccc2c1OC(F)(F)O2,KQTAJMJNAXULED-UHFFFAOYSA-N
rxn:5:189211:227610:227505,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccn(C3CCCCO3)n2)c1-c1ccc(/C=C/[N+](=O)[O-])cc1,FQNTYUBULRNHFX-DTQAZKPQSA-N
rxn:5:189211:227875:227103,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2CCCO3)c1-c1sccc1C1CCCCC1,SRVQTLDUYMOONS-UHFFFAOYSA-N
rxn:5:189211:227992:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3COC3)cc2)c1-c1ccc(N2CCOCC2)cc1,SZKXACZVMKPRPW-UHFFFAOYSA-N
rxn:5:189211:229089:225499,CC(=O)c1sccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(C2CCCCC2)cc1F,YIKVWHUAIFVZLL-UHFFFAOYSA-N
rxn:5:189212:225583:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2cccc(C(=O)N3CCCC3)c2)c1,NIJNSAAJDAGNJJ-UHFFFAOYSA-N
rxn:5:189212:225633:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCCCCC2)nc1,DPUKEPKGIBYWNQ-UHFFFAOYSA-N
rxn:5:189212:225871:226155,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc(C2CC2)c1,PBRMDBFSYWKZDP-UHFFFAOYSA-N
rxn:5:189212:225871:228016,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C3CCCC3)cs2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,CWRYRIOEBXWNQY-UHFFFAOYSA-N
rxn:5:189212:225873:228895,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(-c2cccc(N3CCOCC3=O)c2)c1,TYQRDXIFVBLKAB-UHFFFAOYSA-N
rxn:5:189212:225873:229011,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CC3)s2)c(-c2cccc(N3CCOCC3=O)c2)c1,ZEDXVRHQWTYIHT-UHFFFAOYSA-N
rxn:5:189212:226187:228078,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)COC3=O)c(-c2cccc(C3CCOCC3)c2)c1,SUDQOADCCANHGQ-UHFFFAOYSA-N
rxn:5:189212:226452:228343,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3OCCCO3)cc2)cc1C,GJVNHGBFMYSVCD-UHFFFAOYSA-N
rxn:5:189212:226739:228078,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)COC3=O)cc1[N+](=O)[O-],SLUGCKGFKNJNIC-UHFFFAOYSA-N
rxn:5:189212:227197:226966,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc4c(c3)C(=O)CCC4)cc2C1=O,KQOPCWOOUAQKOC-UHFFFAOYSA-N
rxn:5:189212:227404:227183,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(N4CCCCC4)cs3)ccc2C1=O,LCOOZHVUSPMEQP-UHFFFAOYSA-N
rxn:5:189212:227679:227342,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OC(F)(F)O3)cc1C,VTMDCFRHDFZUCS-UHFFFAOYSA-N
rxn:5:189212:227739:223389,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2c(C)n[nH]c2C(F)(F)F)cnc1C(F)(F)F,OXCCJXUOGVQOLV-UHFFFAOYSA-N
rxn:5:189212:228174:225871,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1,JZKPBNCKGALXRG-UHFFFAOYSA-N
rxn:5:189212:228317:226185,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCOCC3)cc2)cn1,VENOMDCQKANSNE-UHFFFAOYSA-N
rxn:5:189212:228343:226187,COC(=O)c1sc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCOCC3)c2)cc1C,HDZYCJOANMSBPF-UHFFFAOYSA-N
rxn:5:189212:228467:227446,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3OCCO3)cc2)c(F)s1,ZRYRWXXKFWPAKX-UHFFFAOYSA-N
rxn:5:189212:228601:225499,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C2CCCCC2)cc1F,JILJZWPBCAANHU-UHFFFAOYSA-N
rxn:5:189212:228704:226837,CCn1nc(C)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2c(C)nn(CC(F)(F)F)c2C)c1C,HNWDNOJPHLZZNZ-UHFFFAOYSA-N
rxn:5:189212:228894:222982,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CN3CC[C@@H](O)C3)cc2)c(-c2ccccc2[N+](=O)[O-])c1,VTXJZSGURZAQOT-OAQYLSRUSA-N
rxn:5:189666:228100:226837,CCCn1nc(C)c(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2c(C)nn(CC(F)(F)F)c2C)c1C,ZHPKUTHWYGTTPO-FVLOIXKZSA-N
rxn:5:189675:226836:228195,Cc1nn(C(C)(C)C)cc1-c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c(/C=N/S(=O)C(C)(C)C)c1,XTFITQLMADKGMM-VVEOGCPPSA-N
rxn:5:189676:226837:228100,CCCn1nc(C)c(-c2ccc(CC(=O)N3CCCC3)cc2-c2c(C)nn(CC(F)(F)F)c2C)c1C,OGRJKCYXFXYDGZ-UHFFFAOYSA-N
rxn:5:189718:227803:226750,COc1ccc(C(F)(F)F)cc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccnn1S(=O)(=O)N(C)C,XSMIBYIIDQBHBS-UHFFFAOYSA-N
rxn:5:189829:225810:225799,COc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3cncc(OC4CCOCC4)c3)c2OC)c(C2OCCO2)c1,WWBBIGWPAIRTNR-UHFFFAOYSA-N
rxn:5:189908:226835:227610,CC(C)n1nc(C(F)(F)F)cc1-c1cnc(-c2ccn(C3CCCCO3)n2)c(OCC2CCCCC2)c1,MIVYKBUFYNIETP-UHFFFAOYSA-N
rxn:5:190001:226901:226901,O=C(Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CCCCC1,YLLYZUWLEDDHGQ-UHFFFAOYSA-N
rxn:5:190001:227068:226901,CC(C)Cc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1,JWJUOWBXHHTQQF-UHFFFAOYSA-N
rxn:5:190001:228496:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cnn(CC(F)(F)F)c1,SEXZMMWCWAIFLD-UHFFFAOYSA-N
rxn:5:190127:226452:228363,COC1CCN(C(=O)c2cc(-c3ccc(C4OCCCO4)cc3)ccc2-c2cnc(N(C)C)cc2F)CC1,OEYGBGREWWVBKB-UHFFFAOYSA-N
rxn:5:190127:226852:226449,COc1ncc(-c2ccc(-c3ccccc3C3(C)OCCO3)c(C(=O)N3CCC(OC)CC3)c2)cc1C(F)(F)F,NAQQNNYBEPATAC-UHFFFAOYSA-N
rxn:5:190127:227684:225849,COC1CCN(C(=O)c2cc(-c3cnn(CC4OCCO4)c3)ccc2-c2cnc(N3CCCCC3)cc2F)CC1,RZWZDBOKCAVLJW-UHFFFAOYSA-N
rxn:5:190127:227951:226750,COc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc([N+](C)(C)C)cc2)cc1C(=O)N1CCC(OC)CC1,GJPXZNDFMZETBF-UHFFFAOYSA-N
rxn:5:190128:223064:228319,COc1nccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(C3CCNCC3)nc2F)c1OC,QWXIIKZZNGKRNS-UHFFFAOYSA-N
rxn:5:190128:225677:227569,COc1ccc(F)c(OC)c1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(C2CCCCC2)nc1F,YPFSFFUTZYCOJZ-UHFFFAOYSA-N
rxn:5:190131:228202:226324,COc1c(-c2ccc(F)c(N(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1cccnc1OC1CCCC1,VRIKZIJYSMCOIZ-UHFFFAOYSA-N
rxn:5:190132:225587:228269,COc1cc(-c2cc(-c3cccc(CN4CCOCC4)c3)ccc2C(=O)N2CCC(OC)CC2)c(F)cc1C,XQDFSKOCSREDDN-UHFFFAOYSA-N
rxn:5:190177:226046:226901,O=C1CC(Sc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1,NGSKOFRECJFNCV-UHFFFAOYSA-N
rxn:5:190194:222957:228419,COC1CCN(Cc2cccc(-c3cc(C)cc(C4CCCNC4)c3)c2-c2cc(F)c(SC)cc2F)CC1,XQUURVMTVDXBQD-UHFFFAOYSA-N
rxn:5:190194:225592:226324,COC1CCN(Cc2cccc(-c3cc(F)ccc3CN3CCCC3)c2-c2cccnc2OC2CCCC2)CC1,GFYXQPJTJYKHPX-UHFFFAOYSA-N
rxn:5:190194:227655:227119,COC1CCN(Cc2cccc(-c3cc(F)c(F)c(N(C)C)c3)c2-c2cc(C3CCCCC3)cs2)CC1,LYHWGHJDUMXQQC-UHFFFAOYSA-N
rxn:5:190194:227669:222988,COc1c(F)c(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C)nc(C3CCNCC3)c2)c1F,XLTNMQGBCNZOPK-UHFFFAOYSA-N
rxn:5:190194:228393:225834,COc1c(F)cc(F)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1cc(N2CCCCC2)ncc1F,VFAIGOPQBVCCNN-UHFFFAOYSA-N
rxn:5:190196:226026:227611,CN(Cc1ccc(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)cc1-c1ccnn1C1CCCCO1)C1CCOCC1,QWRHQHITKHOLOL-UHFFFAOYSA-N
rxn:5:190197:225637:227574,COc1c(F)ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccccc3N3CCN(C)CC3)c2)c1OC,RJQBQHFQPRPWRJ-UHFFFAOYSA-N
rxn:5:190231:225611:226449,COc1cc(N2CCCC2)ccc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2ccccc2C2(C)OCCO2)c1OC,LRHORKQVUZWMAS-UHFFFAOYSA-N
rxn:5:190231:226027:225600,COc1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1OC1CCCCC1,KYARNPVPQNFYCP-UHFFFAOYSA-N
rxn:5:190231:227803:227704,COc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2ccnn2S(=O)(=O)N(C)C)c1OC,YJLYNUIGMVOYEF-UHFFFAOYSA-N
rxn:5:190265:226900:223344,CC1CCCN(C(=O)Cc2ccc(-c3cccc4c3CC(=O)N4)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,HGJHBMFDBBCYOL-UHFFFAOYSA-N
rxn:5:190265:228563:226900,CC(C)Cc1csc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1,KQQDIRBPRJXJIV-UHFFFAOYSA-N
rxn:5:190308:225449:227935,CCc1cc(-c2ccc(-c3cccc(OC4CCCCC4)c3)cc2CCN2CCCC(C)C2)ccc1OC,PZTDYJVRVTWXLW-UHFFFAOYSA-N
rxn:5:190308:225802:228363,CC1CCCN(CCc2cc(-c3ccc(OC4CCCC4)nc3F)ccc2-c2cnc(N(C)C)cc2F)C1,SONBWQIJGZKZGX-UHFFFAOYSA-N
rxn:5:190336:226710:222985,COc1c(-c2ccc(C3CCCNC3)nc2C)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)c([Si](C)(C)C)c1F,FCQYTJNNUVZKDQ-UHFFFAOYSA-N
rxn:5:190353:226900:225939,CC(C)c1cc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2CCC(c3ccccc3)C2)cnc1C(F)(F)F,AVXXUHZGEKDBDG-UHFFFAOYSA-N
rxn:5:190353:226900:226031,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(C(F)(F)F)cc1C(F)F)N1CCC(c2ccccc2)C1,GZGNVFWQAAVFFY-UHFFFAOYSA-N
rxn:5:190484:226900:228531,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1)N1CCC(c2ccccc2-c2cccc3c2CCO3)S(=O)(=O)CC1,VKVLEUFSYTYGQW-UHFFFAOYSA-N
rxn:5:190833:229048:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn3c2CCC3)c2c1CN(C(=O)OC(C)(C)C)C2=O,XDPAQKOKNLVGOL-UHFFFAOYSA-N
rxn:5:190833:229049:226900,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc(-c3cnc4n3CCC4)c2C1=O,SMNGMTFYWZAXJM-UHFFFAOYSA-N
rxn:5:190859:226686:223389,Cc1cnn(C2CCCCO2)c1-c1ccc2c(c1-c1c(C)n[nH]c1C(F)(F)F)CCN2C(=O)OC(C)(C)C,VXZIHKZMBQXWBC-UHFFFAOYSA-N
rxn:5:190859:228760:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cnc(C(C)(C)C)o2)ccc2c1CCN2C(=O)OC(C)(C)C,WWPXBVCLRGJJFO-UHFFFAOYSA-N
rxn:5:190998:226769:227203,COC(=O)c1cc(F)c(F)c(-c2ccc3c(c2)CN(c2ccc(-c4ccc5c(c4)OCCCO5)cc2C(=O)OC)C(=O)CO3)c1,CGSYQZCYQMVMFV-UHFFFAOYSA-N
rxn:5:191026:226911:226188,CCc1cc(C)cc(CC)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,LUDSBGHXUWJGIT-UHFFFAOYSA-N
rxn:5:191026:227076:226188,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,UOEGTXXKBWNKMQ-UHFFFAOYSA-N
rxn:5:193051:225926:225926,O=C1CCCN1Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,UQLBWMAAJLKDMG-UHFFFAOYSA-N
rxn:5:193051:226901:225986,O=C1CCCN1Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccccc1N1CCCS1(=O)=O,OYQXKNANMQZNDC-UHFFFAOYSA-N
rxn:5:193054:226900:225818,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1C1CC1)N1CCCC1,DGBRHNLYRKJTBM-UHFFFAOYSA-N
rxn:5:193225:225810:226959,COc1ccc(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)c(C(=O)N3CCOCC3)c2)c(C2OCCO2)c1,GUPIPTWGYNRRDG-UHFFFAOYSA-N
rxn:5:193225:227506:225986,O=C(c1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)ccc1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,NLPWHMBLLQWZBD-ACCUITESSA-N
rxn:5:193229:227044:225871,O=C(c1ccc(-c2cccc(C(=O)N3CCOCC3)c2-c2cccc(N3C(=O)C=CC3=O)c2)cc1)C1CC1,JDAKYEACXBTTAX-UHFFFAOYSA-N
rxn:5:193334:225394:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,DXGKMWDHAUXSCA-UHFFFAOYSA-N
rxn:5:193336:225928:223062,Cc1ccc(-c2cccc(CN3CCOCC3)c2-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N(C)C,XLFHUZBMEWXNJT-UHFFFAOYSA-N
rxn:5:193382:225809:227951,C[N+](C)(C)c1ccc(-c2cc(-c3cc(F)ccc3OC3CCOC3)ccc2S(=O)(=O)N2CCOCC2)cc1,OIWAFWHTRRUMQN-UHFFFAOYSA-N
rxn:5:193460:226411:227804,O=C(c1cccc(-c2ccc(N3CCOCC3)cc2)c1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-])N1CCCCC1,SQJVEFTYPDQNSY-UHFFFAOYSA-N
rxn:5:193460:226901:227103,O=C(c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1sccc1C1CCCCC1)N1CCCCC1,FENUJUFUXHAMBY-UHFFFAOYSA-N
rxn:5:193463:223186:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1CN1CCC(=O)CC1,OIQVBXADONGREI-UHFFFAOYSA-N
rxn:5:193465:225498:227590,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(CC(F)(F)F)cc2)c1-c1cc(C2CCCCC2)ccc1F,RYBOQDXPFPRVFB-NRFANRHFSA-N
rxn:5:193465:225616:226779,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)C(F)(F)F)cc2)c1-c1ccccc1C(=O)N1CCCC1,FVLPICKHQHVOMF-FQEVSTJZSA-N
rxn:5:193465:225815:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccc(C2CC2)cc1C(F)(F)F,BCWDMSDTOSVCDK-FQEVSTJZSA-N
rxn:5:193465:225986:227722,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(SC(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O,FNNUSHHTZQYCIF-IBGZPJMESA-N
rxn:5:193467:225986:226861,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)(F)F)c(F)c2)ccc1-c1ccccc1N1CCCS1(=O)=O,UKOWLLAKXGVGFT-SFHVURJKSA-N
rxn:5:193467:225986:227680,C[C@H]1CCCN1C(=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1ccccc1N1CCCS1(=O)=O,KGYFGIJBOCQYQZ-SFHVURJKSA-N
rxn:5:193467:226150:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cccc(SC2CCCC2)c1,TXFXWWOWIVILPX-FQEVSTJZSA-N
rxn:5:193467:226742:225583,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1ccc(C#N)cc1C(F)(F)F,GHAKVWIJPCGNLT-FQEVSTJZSA-N
rxn:5:193467:226900:226189,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CCCC3)c(F)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,UPGPMHWRBHMNLZ-IBGZPJMESA-N
rxn:5:193467:226980:225871,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cccc2c1C(=O)CCC2,CDCQBHLVLVHWHW-FQEVSTJZSA-N
rxn:5:193467:227758:225616,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1cc(F)ccc1C(F)(F)F,OBGVMLVWDPDHRX-IBGZPJMESA-N
rxn:5:193468:225407:226901,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCCCC3)cc2)cccc1-c1cccc(S(F)(F)(F)(F)F)c1,PCSNFYNOYBENRH-QFIPXVFZSA-N
rxn:5:193468:225470:226901,CC1CCN(c2ccc(-c3cccc(-c4cccc(S(F)(F)(F)(F)F)c4)c3C(=O)N3CCC[C@@H]3C)cc2)CC1,ZRRJEEZHNYJEBA-QFIPXVFZSA-N
rxn:5:193468:225816:227506,C[C@H]1CCCN1C(=O)c1c(-c2cccc(/C=C/[N+](=O)[O-])c2)cccc1-c1cc(C2CC2)ccc1C(F)(F)F,QZXSJGLFWNWNKD-IDCODDLRSA-N
rxn:5:193468:226332:225871,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccccc1C(=O)N1CCC1,BFDHFNCUKDQKQS-NRFANRHFSA-N
rxn:5:193469:225450:227801,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)cc1-c1c(C(F)(F)F)ccnc1F,SJRSSBCJIZWHRO-GOSISDBHSA-N
rxn:5:193469:225584:227665,Cc1cc(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C(=O)N2CCC[C@H]2C)ccc1C(F)(F)F,XUCPBXVHJJXCON-OAQYLSRUSA-N
rxn:5:193469:225584:227804,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],ZMUZLAXWKZXDDJ-QGZVFWFLSA-N
rxn:5:193506:223186:228678,CC(C)Cn1nccc1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,JCGDPFXONBYUQF-UHFFFAOYSA-N
rxn:5:193506:225987:229091,CC(=O)c1occc1-c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,QDUPZAUHGGUCDC-UHFFFAOYSA-N
rxn:5:193506:226686:228199,Cc1cnn(C2CCCCO2)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cn(C3CCC3)nc2C)c1,IUWKDZKXKBHXQO-UHFFFAOYSA-N
rxn:5:193506:226899:227197,CN1Cc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3S(=O)(=O)N3CCC(=O)CC3)cc2C1=O,XVOWYBDZTDFXHK-UHFFFAOYSA-N
rxn:5:193506:227095:228501,Cn1ncc(-c2cc(-c3ccc(C4CC(=O)C4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,ZSWCYWUNFNQQSC-UHFFFAOYSA-N
rxn:5:193506:227505:226899,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,DSKLYGUDYUNMLV-NTEUORMPSA-N
rxn:5:193506:227611:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccnn2C2CCCCO2)ccc1S(=O)(=O)N1CCC(=O)CC1,WWHZLSCWRMRWSX-UHFFFAOYSA-N
rxn:5:193506:228417:226900,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(C(F)F)c3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,NFVMMKTXVDTESA-UHFFFAOYSA-N
rxn:5:193506:228496:228501,Cn1ncc(-c2cc(-c3cnn(CC(F)(F)F)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,ZXJIKFVGKSDJHN-UHFFFAOYSA-N
rxn:5:193506:228603:225926,CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)c1,GQUVEGPIQDQATM-UHFFFAOYSA-N
rxn:5:193506:228975:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2cnn(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,ZKLRNDBVCXYKFY-UHFFFAOYSA-N
rxn:5:193652:222404:227804,O=C1NC(=O)C(c2ccc(-c3ccc(C4=NC(=Cc5ccc(-c6cc([N+](=O)[O-])sc6[N+](=O)[O-])cc5)C(=O)O4)cc3)cc2)N1,KSIOBCPLXKVDHW-UHFFFAOYSA-N
rxn:5:193681:225499:227298,CN(C)Cc1ccc(F)cc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1OC1CCN(C)CC1,VWGHLHOKPAFIKS-UHFFFAOYSA-N
rxn:5:193681:225810:228193,COc1ccc(-c2ccc(-c3cnn(C4CCCC4)c3)c(OC3CCN(C)CC3)c2)c(C2OCCO2)c1,RXYZIKLZJYRENC-UHFFFAOYSA-N
rxn:5:193681:225832:225810,COc1ccc(-c2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc2OC2CCN(C)CC2)c(C2OCCO2)c1,AHSCHZYNMVYAAG-UHFFFAOYSA-N
rxn:5:193711:225469:226900,CC1CCCN(c2ccc(-c3ccc(N4C(=O)C(=Cc5ccccc5-c5ccc(S(F)(F)(F)(F)F)cc5)SC4=S)cc3)cc2)C1,MONIDXNPROXLSD-UHFFFAOYSA-N
rxn:5:193752:223344:225819,CC1CCCN(C(=O)c2ccc(-c3cccc4c3CC(=O)N4)c(-c3cc(C(F)(F)F)ccc3C3CC3)c2)C1,IGFSSJPKIFYDJU-UHFFFAOYSA-N
rxn:5:193752:226901:226919,CC1CCCN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc(C4CCCC4)c3)c2)C1,GGCPXCLNOTWOIX-UHFFFAOYSA-N
rxn:5:193752:227748:226901,CC1CCCN(C(=O)c2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,KFWSSRZQGFBBRV-UHFFFAOYSA-N
rxn:5:193755:226046:227872,CC1CCCN(C(=O)c2cccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)c2-c2ccc3c(c2)CCC3=O)C1,JBQKLNHWJSRTLI-UHFFFAOYSA-N
rxn:5:193756:223389:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1C(=O)N1CCCCC1C,AZGDSVCPRBNSOG-UHFFFAOYSA-N
rxn:5:193809:226464:225514,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,ORIJIQKGHLLKHI-UHFFFAOYSA-N
rxn:5:193869:226847:228653,CSc1ncc(C(F)(F)F)cc1-c1cc(C)c(-c2cnn3c2CCCC3)cc1S(=O)(=O)N1CCCCC1,XIIDYJGLGANFFG-UHFFFAOYSA-N
rxn:5:193869:227562:223056,COc1ccc(F)c(-c2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1OC,WHRPNIRSERZKFW-UHFFFAOYSA-N
rxn:5:193869:228653:226901,Cc1cc(-c2cnn3c2CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(F)(F)(F)(F)F)c1,WAAPJXFFPJTSHN-UHFFFAOYSA-N
rxn:5:193870:227665:225784,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccc(C(F)(F)F)c(C)c1,UYABRPNYPROYCS-UHFFFAOYSA-N
rxn:5:193870:229083:226652,Cc1cc(-c2cc(-c3cnc(C(C)C)o3)c(C)cc2S(=O)(=O)N2CCCCC2)n(C2CCCCO2)n1,MLNBTQQFKDGXOI-UHFFFAOYSA-N
rxn:5:193871:228156:225810,COc1ccc(OC)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(OC)cc2C2OCCO2)c1,HZSHXINQASGZJG-UHFFFAOYSA-N
rxn:5:193912:226901:227451,O=C1CS(=O)C(c2ccc(-c3ccc(C4CC4(F)F)cc3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,QSUBZYSPTCGUTR-UHFFFAOYSA-N
rxn:5:193967:222982:228397,COc1cc(-c2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)ccc2CN2CCC3(CC2)OCCO3)cc(F)c1F,RJDKOJXHKDFRGP-HHHXNRCGSA-N
rxn:5:193967:223012:222991,COC(=O)c1cc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(-c4ccc(N5CCCC(O)C5)cc4)c3)ccc2[nH]1,BPBKACUXHVQNPX-UHFFFAOYSA-N
rxn:5:193967:223307:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccc3c(c2)CCNC3)ccc1CN1CCC2(CC1)OCCO2,FVFKHOLFJHDDFS-UHFFFAOYSA-N
rxn:5:193967:226141:228866,COCc1noc(C)c1-c1cc(-c2ccccc2OC2CCCC2)ccc1CN1CCC2(CC1)OCCO2,VRJXOSVJHFJEKK-UHFFFAOYSA-N
rxn:5:193967:226464:226907,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCC43CC3)c1)OCCO2,QDDDFZJZCFQCLM-UHFFFAOYSA-N
rxn:5:193967:228503:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,HMQHKXQZLMCIRD-UHFFFAOYSA-N
rxn:5:193968:223306:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccc3c(c2)CNCC3)cc1CN1CCC2(CC1)OCCO2,YQYRBNGBWOHEGV-UHFFFAOYSA-N
rxn:5:193968:223306:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)CNCC3)cc1CN1CCC2(CC1)OCCO2,CVTXDHATYNNUEK-UHFFFAOYSA-N
rxn:5:193968:223307:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2ccc3c(c2)CCNC3)cc1CN1CCC2(CC1)OCCO2,DFFRAXWJCOMFLI-UHFFFAOYSA-N
rxn:5:193968:223389:228319,COc1nccc(-c2ccc(-c3c(C)n[nH]c3C(F)(F)F)cc2CN2CCC3(CC2)OCCO3)c1OC,VBUFQHDWHFMNOO-UHFFFAOYSA-N
rxn:5:193968:225874:228557,COCc1cccc(-c2ccc(-c3ccc(F)c(N4CCOCC4)c3)cc2CN2CCC3(CC2)OCCO3)c1,PKVUPRFKNSFCMS-UHFFFAOYSA-N
rxn:5:193968:226145:227575,COc1ccc(OC)c(-c2ccc(-c3ccc(OC4CCCC4)cc3)cc2CN2CCC3(CC2)OCCO3)c1F,BOMVGKKKYPEEIF-UHFFFAOYSA-N
rxn:5:193968:226883:227975,C[Si](C)(C)c1cccc(-c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)cc2CN2CCC3(CC2)OCCO3)c1,NMONEUXPGMINHZ-UHFFFAOYSA-N
rxn:5:193968:227808:225611,COc1cc(N2CCCC2)ccc1-c1ccc(-c2ccc3c(c2)CCCC3)cc1CN1CCC2(CC1)OCCO2,ZHHFBMKHGPOIJJ-UHFFFAOYSA-N
rxn:5:193968:227868:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccc3c(c2)OCCC3)cc1CN1CCC2(CC1)OCCO2,GXJDDFWDHJVPAR-UHFFFAOYSA-N
rxn:5:193968:227868:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc3c(c2)OCCC3)cc1CN1CCC2(CC1)OCCO2,TYUJMOXTQFHBTP-UHFFFAOYSA-N
rxn:5:193968:227868:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2ccc3c(c2)OCCC3)cc1CN1CCC2(CC1)OCCO2,RSCZCSBSJLIJGH-UHFFFAOYSA-N
rxn:5:193968:228503:225611,COc1cc(N2CCCC2)ccc1-c1ccc(-c2ccc3c(c2)CCC3)cc1CN1CCC2(CC1)OCCO2,YJCKRTBAIVZHAT-UHFFFAOYSA-N
rxn:5:193968:228503:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,YLMDAIBCNFPGIS-UHFFFAOYSA-N
rxn:5:193968:228977:225611,COc1cc(N2CCCC2)ccc1-c1ccc(-c2ccc3c(c2)CC3)cc1CN1CCC2(CC1)OCCO2,GQABILONXRZPIH-UHFFFAOYSA-N
rxn:5:193968:229048:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cnn3c2CCC3)cc1CN1CCC2(CC1)OCCO2,BJVPBFMQVLPPNS-UHFFFAOYSA-N
rxn:5:193972:225832:229308,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(C)nn(C4CCCCO4)c3C)cc2C)on1,QFFZQFNBLRRDSV-UHFFFAOYSA-N
rxn:5:193972:226836:229048,Cc1cc(-c2cn(C(C)C)nc2C(F)(F)F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCC2,MKUNWTDWVUEZBV-UHFFFAOYSA-N
rxn:5:193972:227203:222418,Cc1cc(-c2ccc3c(c2)OCCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(S(N)(=O)=O)cc1,LSLRNSAMNZBOCK-UHFFFAOYSA-N
rxn:5:194522:226144:226836,CC(C)CN1CCc2c1ccc(-c1ccc(C#C[Si](C)(C)C)cc1)c2-c1cn(C(C)C)nc1C(F)(F)F,SWBYHKSVCMLPJQ-UHFFFAOYSA-N
rxn:5:194561:226900:228375,N#Cc1ccc(F)c(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)c1F,AKIJGSZSJALCMP-UHFFFAOYSA-N
rxn:5:194561:227817:226901,CC(C)Cc1ccccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(C(=O)N2C3CCC2COC3)c1,JAFGVOJYJYETID-UHFFFAOYSA-N
rxn:5:194575:226900:225472,CC1CCCCN1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)C3)c1,JSRDCBINTSVSTL-UHFFFAOYSA-N
rxn:5:194733:223271:228417,CC(=O)Nc1cc(-c2ccc(-c3ccc(F)c(C(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,IKGOVLVBDCEXBT-UHFFFAOYSA-N
rxn:5:194733:223388:223388,O=C(c1cc(-c2ccc(S(=O)(=O)O)cc2)ccc1-c1ccc(S(=O)(=O)O)cc1)N1C2CCC1CC(=C1CC1)C2,BFNDYSQOOWBORT-UHFFFAOYSA-N
rxn:5:194733:226900:226901,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,AOXWCFFDLFINQB-UHFFFAOYSA-N
rxn:5:194733:226964:226900,O=C(c1cc(-c2ccc3cc(F)ccc3c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,BTFDUVOJPAXPGM-UHFFFAOYSA-N
rxn:5:194733:227659:227895,Cc1c(-c2ccc(-c3ccc(C=CC#N)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cccc1C(F)(F)F,KGVMGSNOELTAHW-UHFFFAOYSA-N
rxn:5:194733:227673:228529,CC(F)(F)c1cccc(-c2ccc(-c3ccc4c(c3)CCO4)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1F,GAVZPQFHOSEINW-UHFFFAOYSA-N
rxn:5:194733:227680:229042,Cc1cccc(-c2ccc(-c3cccc4c3OC(F)(F)O4)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,HFOZLMYGEDBVHF-UHFFFAOYSA-N
rxn:5:194733:228613:226900,CCc1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,OJICGPRLEOALMM-UHFFFAOYSA-N
rxn:5:194733:228992:227672,Cc1cccc(-c2ccc(-c3cccc(C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1C(F)(F)F,WYOIEKWORXYFMC-UHFFFAOYSA-N
rxn:5:194792:228790:226901,O=C1C2C(c3ccc(-c4cccc(C(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,XXJGWQNPEMKONP-UHFFFAOYSA-N
rxn:5:196188:225832:223062,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1C1=NOCC1,DPBKGLLKAWNCIY-UHFFFAOYSA-N
rxn:5:196198:227804:225616,O=C(c1ccccc1-c1cc(N2C(=O)C=CC2=O)ccc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-])N1CCCC1,PCMDILAXSYXTNA-UHFFFAOYSA-N
rxn:5:196408:223134:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cnccc2C2CCCNC2)c1,ZBLUCFCCPAKKBG-UHFFFAOYSA-N
rxn:5:196408:223136:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccncc2C2CCCNC2)c1,KWQIDRVACXFFHE-UHFFFAOYSA-N
rxn:5:196408:223137:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cncc(C3CCCNC3)c2)c1,FJIYQLHPPQOSPQ-UHFFFAOYSA-N
rxn:5:196408:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(C3CCNCC3)c2)c1,LNSDQFDJLKSEIL-UHFFFAOYSA-N
rxn:5:196408:223140:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccnc(C3CCCNC3)c2)c1,BFZZPRLMHUDUOJ-UHFFFAOYSA-N
rxn:5:196408:223141:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cncc(C3CCNCC3)c2)c1,BDYYSPZQIFAMTD-UHFFFAOYSA-N
rxn:5:196408:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCNC3)nc2)c1,LYZGFLGLXIEOGB-UHFFFAOYSA-N
rxn:5:196533:225873:226319,O=C(c1ccc(C2CC(=O)N(c3ccc(-c4cccc(N5CCOCC5=O)c4)cc3)C2=O)cc1)N1CCC1,SKYSICZJNYPXIH-UHFFFAOYSA-N
rxn:5:196533:225926:225985,O=C1CC(c2cccc(N3CCCS3(=O)=O)c2)C(=O)N1c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1,MUKKZXZQQQZLPA-UHFFFAOYSA-N
rxn:5:196618:226900:223054,CC(c1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2N2CCCC2=O)s1)N1CCC(O)C1,NISAHYLCNREFHT-UHFFFAOYSA-N
rxn:5:196792:225616:225871,O=C(c1ccccc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1N1CCOCC1=O)N1CCCC1,PVQWYEOOIZXSPF-UHFFFAOYSA-N
rxn:5:196969:222998:223064,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,LXYCXZQIUTXPAY-UHFFFAOYSA-N
rxn:5:196969:223000:223064,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCCNC1,DIICMHHXXLKLAN-UHFFFAOYSA-N
rxn:5:196969:223004:223064,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCNCC1,XVXYTGFJPRXKLW-UHFFFAOYSA-N
rxn:5:196969:223007:223064,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,VCNPVYOYNDALAV-UHFFFAOYSA-N
rxn:5:196969:223007:225833,Fc1cc(-c2cnc(C3CCCCC3)cc2-c2ccnc(N3CCCCC3)c2F)cc(C2CCNCC2)c1,UAROKXISCNMOSA-UHFFFAOYSA-N
rxn:5:196969:223064:222998,Fc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,NGJIJKCLTDMHEH-UHFFFAOYSA-N
rxn:5:196969:223064:223004,Fc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCNCC1,MZENQMGWXOWPSR-UHFFFAOYSA-N
rxn:5:196969:223064:223006,Fc1ccc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,SIBHCEDGIZKOAG-UHFFFAOYSA-N
rxn:5:196969:223064:223007,Fc1cc(-c2cc(C3CCCCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,WDCPHUFACKTARS-UHFFFAOYSA-N
rxn:5:196970:223000:223064,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCCNC1,AYZALSZZPOBIPB-UHFFFAOYSA-N
rxn:5:196970:223004:223064,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCNCC1,IKHBYDUVZFKALF-UHFFFAOYSA-N
rxn:5:196970:223006:223064,Fc1ccc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,RDGJKZVKJRKPCV-UHFFFAOYSA-N
rxn:5:196970:223006:225833,Fc1ccc(-c2c(C3CCCCC3)ccnc2-c2ccnc(N3CCCCC3)c2F)cc1C1CCNCC1,RWKOLTCTYWQGJV-UHFFFAOYSA-N
rxn:5:196970:223007:223064,Fc1cc(-c2c(C3CCCCC3)ccnc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,URNLLQFOZLMZDC-UHFFFAOYSA-N
rxn:5:196970:223064:222998,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCCNC2)c1,KDYPHVKFJRHSQK-UHFFFAOYSA-N
rxn:5:196970:223064:223000,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCCNC1,IUTAKBUWIPOKGB-UHFFFAOYSA-N
rxn:5:196970:223064:223004,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)ccc1C1CCNCC1,GGNDPINGWJQTOQ-UHFFFAOYSA-N
rxn:5:196970:223064:223006,Fc1ccc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,ZNIRYBUPRQXIER-UHFFFAOYSA-N
rxn:5:196970:223064:223007,Fc1cc(-c2nccc(C3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,YYUXVACBQFVIJM-UHFFFAOYSA-N
rxn:5:196971:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)c(C2CCCCC2)cn1,MIURNUGDBBZTGO-UHFFFAOYSA-N
rxn:5:196971:223064:225833,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)c(C2CCCCC2)cn1,XWWPZQYKSSZUFX-UHFFFAOYSA-N
rxn:5:197169:226837:226835,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)cc2c1OCC(C#N)=C2,AJRPEMDOUYIRFR-UHFFFAOYSA-N
rxn:5:197526:226035:226466,COc1ccc(C(F)(F)F)c(F)c1-c1ccc2c(c1-c1ccc3c(c1)OCC(=O)N3C)C(=O)CN2C(C)=O,FJTUDEAGFWYIPP-UHFFFAOYSA-N
rxn:5:197876:223082:226762,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,GXYJVSZLIRXIAT-UHFFFAOYSA-N
rxn:5:197876:223082:228781,CNS(=O)(=O)c1c(C)cc(-c2cc3c(cc2-c2ccc(C(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,RASZIAYWACPKCC-UHFFFAOYSA-N
rxn:5:197876:225832:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1c(C)nn(C3CCCCO3)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,RWURWGAZWNGSRD-UHFFFAOYSA-N
rxn:5:197876:226188:228206,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(F)cc(N(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CTFVJBHYLHZKTQ-UHFFFAOYSA-N
rxn:5:197876:226188:228263,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C(C)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ALDTYYFXBPUNFD-UHFFFAOYSA-N
rxn:5:197876:226188:228341,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(OC(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,NMANJJXFDMBAGO-UHFFFAOYSA-N
rxn:5:197876:226188:228392,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,NIQYHHDFRLUXNR-UHFFFAOYSA-N
rxn:5:197876:226188:228417,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(F)c(C(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZJHHHSJMSAMNLR-UHFFFAOYSA-N
rxn:5:197876:226610:225886,CCc1cc(-c2cc3c(cc2-c2ccc4c(ccn4S(C)(=O)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,WWIQFQSDXVRXFU-UHFFFAOYSA-N
rxn:5:197876:226709:226144,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(C#C[Si](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YPCPUAUGFWESMT-UHFFFAOYSA-N
rxn:5:197876:226709:227892,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(CN(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,AUXQCSKPLGRZNC-UHFFFAOYSA-N
rxn:5:197876:226709:227975,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc([Si](C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ADQXWPYZCZHTMW-UHFFFAOYSA-N
rxn:5:197876:226709:228206,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cc(F)cc(N(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,QXBIKWHDJBTCLC-UHFFFAOYSA-N
rxn:5:197876:226762:226917,CSc1cc(-c2cc3c(cc2-c2cc(C)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,HNRGHPLETFYYMV-UHFFFAOYSA-N
rxn:5:197876:226762:227710,CSc1cc(-c2cc3c(cc2-c2ccc(OS(C)(=O)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RYYRYSDGPVTVQP-UHFFFAOYSA-N
rxn:5:197876:226762:227951,CSc1cc(-c2cc3c(cc2-c2ccc([N+](C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DSYFDNDTLUCZKA-UHFFFAOYSA-N
rxn:5:197876:226917:227670,Cc1cc(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,RHGMKNCXDZSTTO-UHFFFAOYSA-N
rxn:5:197876:227076:226188,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VBQWKOJSTBDBES-UHFFFAOYSA-N
rxn:5:197876:227076:227560,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(OC)c(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AATHIMUAPIETAB-UHFFFAOYSA-N
rxn:5:197876:227519:226762,COC(=O)c1cc(C)c(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,CURXKOYEWZKVLT-UHFFFAOYSA-N
rxn:5:197876:227547:227052,Cc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1OC(F)F,RQDDLVSRGVMSQK-UHFFFAOYSA-N
rxn:5:197876:227559:227052,Cc1ccc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1OC(F)F,WUHDYRWOZGKVPG-UHFFFAOYSA-N
rxn:5:197876:227589:227052,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DEOICIMFALTWSG-UHFFFAOYSA-N
rxn:5:197876:227706:227670,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RNYIUAOMQOVXFF-UHFFFAOYSA-N
rxn:5:197876:227706:227715,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(F)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HDZWLNYWYIGDHL-UHFFFAOYSA-N
rxn:5:197876:227713:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,PDFYPZPSKMUFPU-UHFFFAOYSA-N
rxn:5:197876:227713:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,IVSDANWQFKUPMP-UHFFFAOYSA-N
rxn:5:197876:227713:226911,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UJKKIJUPTVBEOJ-UHFFFAOYSA-N
rxn:5:197876:227713:227304,Cc1cc(OC(C)C)ncc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,MACNZRSDMICNJN-UHFFFAOYSA-N
rxn:5:197876:227717:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(F)cc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WMORIRAUEIYMEJ-UHFFFAOYSA-N
rxn:5:197876:227717:226917,Cc1cc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,KCIKLPWZBUIMGT-UHFFFAOYSA-N
rxn:5:197876:227718:226917,Cc1cc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,HWCRYKZFQAUMIZ-UHFFFAOYSA-N
rxn:5:197876:227766:228720,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1c(C)cnn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,VNNNOBPESQBXMU-UHFFFAOYSA-N
rxn:5:197876:227935:226762,CCc1cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1OC,XPRREQJKPWDJDZ-UHFFFAOYSA-N
rxn:5:197876:227943:226188,Cc1ccc(N(C)C)c(-c2cc3c(cc2-c2cc(C)c([Si](C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JBWVIDYOSWUFGP-UHFFFAOYSA-N
rxn:5:197876:228198:226837,Cc1nc(C(C)C)ncc1-c1cc2c(cc1-c1c(C)nn(CC(F)(F)F)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,GYEZLQWQVYYRCX-UHFFFAOYSA-N
rxn:5:197876:228361:226143,Cc1cc(-c2cc3c(cc2-c2cc(N(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1OC(C)C,CQFRXVKKRAIOQT-UHFFFAOYSA-N
rxn:5:197876:228415:226143,Cc1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1OC(C)C,REHHFPICIVEDEG-UHFFFAOYSA-N
rxn:5:197876:228437:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VGFWRXLOCDWPCF-UHFFFAOYSA-N
rxn:5:197876:228502:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1nn(C)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,HMFXFWBSGBWTOC-UHFFFAOYSA-N
rxn:5:197876:228721:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1ccnn1C(C)(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,OUTLRJRIIKKELB-UHFFFAOYSA-N
rxn:5:197876:228827:226835,Cc1cc(F)c(F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,DOYGZGSJWKXBQJ-UHFFFAOYSA-N
rxn:5:198559:225832:225934,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C(c1cnc(C(F)(F)F)c(C3CC3)c1)=NS2(=O)=O,DQFAQZXVTCEWRL-UHFFFAOYSA-N
rxn:5:227767:189673:227766,CCn1cc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3cc(C(F)(F)F)nn3CC)c2)c(C(F)(F)F)n1,YMUNDVRKMGHVAW-PNQUVVCRSA-N
rxn:4:173508:223522,COc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1OCCOC1CCCCO1,CCQKHPNTXPSDAQ-UHFFFAOYSA-N
rxn:4:173572:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cc(COC(C)(C)C)cc(COC(C)(C)C)c1,UCZIUQQZNKVHOY-UHFFFAOYSA-N
rxn:4:173641:222741,Cc1oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,MOYVZCYTIGLBLP-UHFFFAOYSA-N
rxn:4:174002:222546,CCCOc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc(F)c1C(=O)OC,SQRJEAFCUUYVIY-UHFFFAOYSA-N
rxn:4:174002:223842,CCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc(F)c1C(=O)OC,TZLOWODABIYYBT-UHFFFAOYSA-N
rxn:4:174010:222636,COC(=O)C(=O)c1cc(OC)c(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC,JBDMZUVPXFKHDC-CQSZACIVSA-N
rxn:4:174050:223712,CCOC(=O)CC(=O)c1ccc(C)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,WUHGJVLHGPKJJL-UHFFFAOYSA-N
rxn:4:174149:223885,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,FWZTVEHBDRSEOC-UHFFFAOYSA-N
rxn:4:174306:224397,CCOC(=O)CC1CC(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)C1,BEPMVABIHKQFSR-UHFFFAOYSA-N
rxn:4:174447:222542,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c(-c2ccc(F)cc2F)cc1OC(C)C,JTIBFUPFNYHUAV-UHFFFAOYSA-N
rxn:4:174521:224022,CC(C)(C)OC(=O)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)c1,KAADJGWOBYUULV-UHFFFAOYSA-N
rxn:4:174663:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc3ccccc32)cc1,QDZJNMUWOPBXKB-VRPYPVNXSA-N
rxn:4:174663:225774,CC(C)OC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,IDASUFZVQQEFSL-XHCDPWOSSA-N
rxn:4:174663:225793,COc1cccc(-n2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cn2)c1,WUABRPPCPFFNNU-OTLVMJKUSA-N
rxn:4:174663:227183,CN1Cc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccc2C1=O,UCGMONGCIZBSMS-AMNGXLNPSA-N
rxn:4:174663:227330,COC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C)c1,DLXDNIIMXNQDJL-AMNGXLNPSA-N
rxn:4:174663:227930,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(OC3CC3)c2)cc1,BMIZZHJPWODUTC-LUTSASADSA-N
rxn:4:174925:223945,CCOC(=O)c1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc(C(F)(F)F)c1,JFDYNOXAKVEPPB-UHFFFAOYSA-N
rxn:4:175505:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1COC1CCC1,GGWYVBAMJNNTTO-UHFFFAOYSA-N
rxn:4:175939:224061,CCCC1CCC(c2ccc(-c3ccc(COC4CCCCO4)cc3OC)c(F)c2)CC1,OGKFSVANJPZGOV-UHFFFAOYSA-N
rxn:4:176105:222857,COc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2C(F)(F)F)cc(C2CCNCC2)c1,BYPACPRFBVRMPS-UHFFFAOYSA-N
rxn:4:176119:223649,CC(C)(C)OC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(-c2ccc(Cl)cc2F)c1,LUGQUYXSOHFJMG-UHFFFAOYSA-N
rxn:4:176158:223812,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)CC1,HZZBVKOVGZYVPL-ALOJWSFFSA-N
rxn:4:176158:224285,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)CC1,YJKMGVWMIIATHW-YHBQERECSA-N
rxn:4:176215:223809,COCCOC1CCCOc2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)ccc21,IYIJVHTYIPJXSB-UHFFFAOYSA-N
rxn:4:176215:224153,COCCOC1CCCOc2cc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)ccc21,AJCMSQQDSCBUKI-UHFFFAOYSA-N
rxn:4:176731:223562,COC(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1C(F)(F)F,CHBFECHVUMLTKL-UHFFFAOYSA-N
rxn:4:176930:223602,CCOc1cc(C(F)(F)F)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c1F,TVKWVSKCPQAVRI-UHFFFAOYSA-N
rxn:4:177274:223579,CC(C)OCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1Cl,HVPJYROZNIERMC-UHFFFAOYSA-N
rxn:4:177478:223699,O=C(CC1OCCO1)c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,QIIRJGPGOLQHHU-UHFFFAOYSA-N
rxn:4:178184:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cc(OC(C)C)c(F)c(C2OCCO2)c1,XJZYWPREIUKXNM-UHFFFAOYSA-N
rxn:4:178428:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1,JIJOLQFQKGRWKA-UHFFFAOYSA-N
rxn:4:178596:223504,CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cc4)coc3c12,FXGYHPNZFFMXID-UHFFFAOYSA-N
rxn:4:179212:223525,CCC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KLOLAGZIDZLVPD-UHFFFAOYSA-N
rxn:4:179746:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2COC2)c(C(F)(F)F)c1,IIMCVGWXWXQECW-UHFFFAOYSA-N
rxn:4:179812:223598,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c(C)c1C,DGJAUSOFESJCMQ-UHFFFAOYSA-N
rxn:4:179834:223526,CC(=O)[C@H]1C[C@@H]1c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,MHOZSRDOPOLMFC-DNQXCXABSA-N
rxn:4:180396:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C4CCOC4)ccc3C3CC3)c2)CC1,XOALLFIRSWGVDN-UHFFFAOYSA-N
rxn:4:180508:224375,CC1(C)CC(=O)C(Sc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2)C(=O)C1,VLGCLWXGXWUXGA-UHFFFAOYSA-N
rxn:4:180516:224285,COc1ccc(C2OCC(C)(C)CO2)cc1-c1ccc(OCCN2CCOCC2)cc1F,RXCZMHQICVPGMB-UHFFFAOYSA-N
rxn:4:181834:223815,O=C1CC(=O)CC(c2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)o2)C1,LGEIUQXJXJWDDT-UHFFFAOYSA-N
rxn:4:182268:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(S(C)(=O)=O)c(F)c4ccccc34)cc2)CC1,FBTDZLYNAQFYIN-UHFFFAOYSA-N
rxn:4:182354:222589,COc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)c2c1OC1(CCCC1)C2,ZUOKMROIQPBPBT-UHFFFAOYSA-N
rxn:4:182354:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)c2c1OC1(CCCC1)C2,DQAVXDPFUKYETE-UHFFFAOYSA-N
rxn:4:182396:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1,PKTCHEXYYCBJPD-UHFFFAOYSA-N
rxn:4:183271:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,AQESGDQVIPBMNZ-UHFFFAOYSA-N
rxn:4:183273:225715,COCCOCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1F,NQHQPMFNMYDUPV-UHFFFAOYSA-N
rxn:4:183273:228872,COC(=O)c1sccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NKKJLAHXJKOUMB-UHFFFAOYSA-N
rxn:4:183273:228913,COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1F,VHVYFUHVSPDORS-UHFFFAOYSA-N
rxn:4:183379:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(c5c3OC(C)(C)C=C5)OC(C)(C)OC4=O)cc2)CC1,NQBWXNVVYUPHHW-MXVIHJGJSA-N
rxn:4:183541:223491,CCOC(=O)Cc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc(C#N)c1C(F)(F)F,GSRCYUZBDPQYPW-UHFFFAOYSA-N
rxn:4:183624:222589,CCN(CC)C(=O)COc1ccc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)cc1F,WRSBHTRGPJSEJS-UHFFFAOYSA-N
rxn:4:183804:225876,FC(F)(F)Oc1ccc(OCCN2CCCCC2)c(-c2cc(Cl)ccc2N2CCOCC2)c1,GHTOSSIBXZZWEN-UHFFFAOYSA-N
rxn:4:183808:225896,COCCOc1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c(F)cc1F,BNCHGXNYAGULEH-UHFFFAOYSA-N
rxn:4:183863:222513,COC(=O)CN1CCCC(COc2ccc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)cc2)C1,BJLTXAXYRFBNHF-UHFFFAOYSA-N
rxn:4:183865:224766,COC(=O)CN1CCCC(COc2ccccc2-c2cc(N3CCCC3)cc(C(F)(F)F)c2)C1,CMZVQAVMYFGYGS-UHFFFAOYSA-N
rxn:4:183865:225519,CCOC(=O)CCc1ccc(-c2ccccc2OCC2CCCN(CC(=O)OC)C2)cc1,VHPSIVBWSHXSNF-UHFFFAOYSA-N
rxn:4:183870:223790,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)C1,YXFIYPJLRQPDQC-UHFFFAOYSA-N
rxn:4:183870:223938,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc2)C1,GDPSZFMRODEALT-UHFFFAOYSA-N
rxn:4:183872:222776,COCCOc1cc(-c2ccc(CN3CCC(O)CC3)cc2F)ccc1C(=O)N1CCCCC1,MJUQWWMNTDBBDB-UHFFFAOYSA-N
rxn:4:183877:223520,CC(c1ccc(-c2c(Cl)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,APNCLNLBIYRJOB-UHFFFAOYSA-N
rxn:4:183881:224272,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)c(F)c2)C1,ITYGUJKOPSBQBQ-UHFFFAOYSA-N
rxn:4:183882:223790,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)C1,KOSCLRFCYBBRTG-UHFFFAOYSA-N
rxn:4:183882:226502,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccn(C(=O)OC(C)(C)C)c3)c2)C1,IVZKSBRBUIZQAW-UHFFFAOYSA-N
rxn:4:183890:224076,CC(C)(C)OC(=O)N1CC(COc2c(F)cc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2F)C1,XRZGHGAARWEDRL-UHFFFAOYSA-N
rxn:4:183943:228211,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3cc(N4CCCC4)cs3)cc2)C1,ILZNXAGUWQSXCE-UHFFFAOYSA-N
rxn:4:183944:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2[N+](=O)[O-])CC1,USPHWNJUSLYOLV-UHFFFAOYSA-N
rxn:4:183959:223576,Cc1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,YYBVQRITTAQNBI-UHFFFAOYSA-N
rxn:4:183968:223683,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)C1,ZXLUQNBPAMHIEZ-UHFFFAOYSA-N
rxn:4:184013:222504,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccc(F)c(C(=O)NCc4ccc(F)cc4)c3)cc2)CC1,YVTCWWPGHJQZNE-UHFFFAOYSA-N
rxn:4:184013:224278,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cc2)CC1,CDWUXZGLXZSPBX-UHFFFAOYSA-N
rxn:4:184014:226021,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(Cl)ccc3OCC(F)(F)F)c2)CC1,QAOQLNCADRKPHY-UHFFFAOYSA-N
rxn:4:184024:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,FBLBRXTWZYYOAB-UHFFFAOYSA-N
rxn:4:184026:223932,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccc2Cl)C1,SWNCCGSKFPPGKL-UHFFFAOYSA-N
rxn:4:184028:222628,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2F)CC1,KOGHPYNDJFYRFF-UHFFFAOYSA-N
rxn:4:184028:226179,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cncc(C4CCCCC4)c3)cc2F)CC1,SMAKULDXXHGMST-UHFFFAOYSA-N
rxn:4:184029:223784,CCN1CCN(CCOc2ccc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3F)cc2F)CC1,QKLJAMIANNZYGH-UHFFFAOYSA-N
rxn:4:184029:224878,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccccc3COC3CCCCC3)c2F)CC1,NGWQREHSDQFBBM-UHFFFAOYSA-N
rxn:4:184055:226715,COc1cc(-c2cnn(C(=O)OC(C)(C)C)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,YSVOVPKMAYXOEE-UHFFFAOYSA-N
rxn:4:184245:226896,COCn1cc(-c2ccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3CCCOC(C)C)cc2)c(C(F)(F)F)n1,PIJYIHNFJXCXBU-UHFFFAOYSA-N
rxn:4:184628:223992,CCOC(=O)Cc1cc(C)cc(C#N)c1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,MAJJUGFRDXLEEC-UHFFFAOYSA-N
rxn:4:184793:223500,COc1ccc(COc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C#N)cc1,XJOGJAFXPAHEPE-UHFFFAOYSA-N
rxn:4:184865:222702,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,PRZUJRCJKTXSAE-UHFFFAOYSA-N
rxn:4:184885:225926,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)o1)N(CC(F)(F)F)C1CCOCC1,JWFAIEQNZXHITR-UHFFFAOYSA-N
rxn:4:184967:225929,Cc1cc(-c2cccc(CN3CCOCC3)c2OCC(F)(F)F)ccc1S(=O)(=O)N(C)C,UCQSUVHETPHMBP-UHFFFAOYSA-N
rxn:4:185111:225826,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cncc(N3CCN(C)CC3)c2)CC1,LPTGTDAMSZNQCJ-UHFFFAOYSA-N
rxn:4:185130:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,FITIXZBWGHEDPK-UHFFFAOYSA-N
rxn:4:185139:224286,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCN4CCOCC4)c(Cl)c3)c2)CC1,VLDAAAUBHXFUGZ-UHFFFAOYSA-N
rxn:4:185139:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(CCN2CCC(C(=O)OC)CC2)ccc1F,LTEWOCMTELCUST-UHFFFAOYSA-N
rxn:4:185145:223058,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)C1,AZCVIXFPZJPKCT-UHFFFAOYSA-N
rxn:4:185145:223498,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)C1,BBIRCSDCVKQRMY-UHFFFAOYSA-N
rxn:4:185165:226661,CN1CCN(c2csc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,BIDCJRSDSKQIDZ-UHFFFAOYSA-N
rxn:4:185198:223973,COC(=O)c1cc(-c2ccc(N3CCCC(C)C3)cc2C(F)(F)F)ccc1CN1CCC(OC)CC1,GLYCWHVJYNIZRO-UHFFFAOYSA-N
rxn:4:185198:225088,COC(=O)c1cc(-c2ccc(OCCN(C)C)c(OC)c2)ccc1CN1CCC(OC)CC1,VKDMBDKFMNAKAB-UHFFFAOYSA-N
rxn:4:185202:223886,COc1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)ccc1C1CN(C(=O)OC(C)(C)C)C1,YWKBGPBXWLPVKS-UHFFFAOYSA-N
rxn:4:185203:224271,COc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)c(C2CN(C(=O)OC(C)(C)C)C2)c1,QUWUQNNHXCDYGW-UHFFFAOYSA-N
rxn:4:185203:226716,COc1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,KBCNFOVBGDTBIY-UHFFFAOYSA-N
rxn:4:185205:222426,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1,GCJQHCJQBBNGIF-UHFFFAOYSA-N
rxn:4:185246:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(CC4C(=O)CCN4C(=O)OC(C)(C)C)c3)cn2)CC1,GWTLFERHYXHDNM-UHFFFAOYSA-N
rxn:4:185249:225585,COc1cc(-c2ccccc2CN2CCOCC2)cc(OC)c1CN1CCCCC1C(F)(F)F,YTXBOHBUMVHALA-UHFFFAOYSA-N
rxn:4:185267:223508,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c2)CC1,NXQIZPQRWBXNGN-UHFFFAOYSA-N
rxn:4:185269:223058,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)(C(F)(F)F)C1,WUGICLGTYWLXOS-UHFFFAOYSA-N
rxn:4:185269:223696,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)(C(F)(F)F)C1,ONAJCLUHFUKWNT-UHFFFAOYSA-N
rxn:4:185269:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1,RFTYBZISRKTOKT-UHFFFAOYSA-N
rxn:4:185271:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,GNZKOYLTNNMCIF-UHFFFAOYSA-N
rxn:4:185307:223124,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(C(=O)NC(C)C)c1,MKNCUUAHYGNEKW-UHFFFAOYSA-N
rxn:4:185309:223652,COc1ccc(Cl)c2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,QCYPOBCLKIOYEX-UHFFFAOYSA-N
rxn:4:185309:225232,CC1CCN(c2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,PGBFPVAGZFYKBB-UHFFFAOYSA-N
rxn:4:185309:225472,CC1CCCCN1c1cccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LCQOQJAEFSOCSU-UHFFFAOYSA-N
rxn:4:185309:226541,COC(=O)c1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,ILYUIFVLCYQBOK-UHFFFAOYSA-N
rxn:4:185314:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(OC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,FKISUHOEZRGCCQ-UHFFFAOYSA-N
rxn:4:185323:225909,CCOc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(C(F)(F)F)c1,ZKVWBGAATYREFM-UHFFFAOYSA-N
rxn:4:185324:225877,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc(Cl)cc3N3CCOCC3)c2)CC1,CDTHVVNJDUEZEO-UHFFFAOYSA-N
rxn:4:185325:227244,CCOc1ccc(-c2cccc(OC(C)C)c2CN2CCCC(C(F)(F)F)C2)cc1OC,JINRHOUIYSJVSG-UHFFFAOYSA-N
rxn:4:185352:223652,COc1ccc(Cl)c2cc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c12,MZCBNYWEFOHCKA-UHFFFAOYSA-N
rxn:4:185352:223773,COc1cccc2cc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c12,JRVLFLNJGRNJKU-UHFFFAOYSA-N
rxn:4:185354:222998,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc(F)cc(C3CCCNC3)c2)CC1,ZZFWNXSJGRFZOL-UHFFFAOYSA-N
rxn:4:185354:224160,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,OLLHYXLGPRTNKK-UHFFFAOYSA-N
rxn:4:185354:226714,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccnn2C(=O)OC(C)(C)C)CC1,FPGVVXQWWJTDGY-UHFFFAOYSA-N
rxn:4:185377:223931,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2)CC1,YIRVUFJEMMMORF-UHFFFAOYSA-N
rxn:4:185379:224213,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3cc(F)ccc3OCc3cccc(F)c3)c2)CC1,XFXXLPQLTCCTBU-UHFFFAOYSA-N
rxn:4:185381:225877,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(Cl)cc3N3CCOCC3)cc(C(F)(F)F)c2)C1,AFTLYDDDZBUIKN-UHFFFAOYSA-N
rxn:4:185386:223652,COc1ccc(Cl)c2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)n(C(=O)OC(C)(C)C)c12,ODORNWWKMWSLKV-UHFFFAOYSA-N
rxn:4:185405:225947,CN1CCN(c2ncc(-c3cc(C4CC4)ccc3C3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1,WKQYGKDANRSYDR-UHFFFAOYSA-N
rxn:4:185407:223597,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,XJJUMLIAXDBMOW-UHFFFAOYSA-N
rxn:4:185407:227530,COC(=O)c1ccc(F)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c1,QSXSSLPIHYADMX-UHFFFAOYSA-N
rxn:4:185408:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,XLJZNHLUIIDLQM-UHFFFAOYSA-N
rxn:4:185409:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)C2)c1,LLZMMGPKJZFGSJ-UHFFFAOYSA-N
rxn:4:185420:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C3CC3)cc2C2CN(C(=O)OC(C)(C)C)CCO2)CC1,KNWGELAUSGYLEM-UHFFFAOYSA-N
rxn:4:185423:223581,COC(=O)c1cccc2cc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)n(C(=O)OC(C)(C)C)c12,KUQOMZHWPURTQU-UHFFFAOYSA-N
rxn:4:185438:225657,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)ccc1N1CCOCC1,HIJPYJFOIXBRGW-UHFFFAOYSA-N
rxn:4:185442:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,VVBVGLMXWJWLPB-UHFFFAOYSA-N
rxn:4:185448:224664,CN1CCN(Cc2cc(F)cc(-c3cc(C4CCOCC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,GDOTXUZPOCLDFR-UHFFFAOYSA-N
rxn:4:185483:223901,CC1CCN(CCOc2ccc(-c3ccc(F)c(OCCCN4C(=O)c5ccccc5C4=O)c3)cc2Cl)CC1,ZBGBOIXFJLPSNF-UHFFFAOYSA-N
rxn:4:185535:226571,COC(=O)[C@@H]1Cc2ccc(-c3cnn(CC4CCOCC4)c3)cc2CN1C(=O)OC(C)(C)C,XRZWWIFEUDWQRM-QFIPXVFZSA-N
rxn:4:185975:223696,COC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],PPLJXRPMJZXPAL-UHFFFAOYSA-N
rxn:4:186533:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2Cl)CC1,PBKHILITWMKHSK-UHFFFAOYSA-N
rxn:4:186990:224008,O=C(CS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1)N1CCOCC1,IXVGZQJGIRJOED-UHFFFAOYSA-N
rxn:4:187011:224766,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3cc(N4CCCC4)cc(C(F)(F)F)c3)cc2F)C1=O,LBHZPIOFUOFUAE-NRFANRHFSA-N
rxn:4:187203:223818,CC(C)(C)OC(=O)N1CC(c2ccc(Cl)cc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)C1,NIUITFOAAAERNK-UHFFFAOYSA-N
rxn:4:187222:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(F)cc2C2CN(C(=O)OC(C)(C)C)C2)CC1,ZWRMEIYLJCRTMD-UHFFFAOYSA-N
rxn:4:187222:223652,COc1ccc(Cl)c2cc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)n(C(=O)OC(C)(C)C)c12,VWZWCCRBYFNDBE-UHFFFAOYSA-N
rxn:4:187284:223522,COCC1CCN(Cc2cccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)CC1,GRKIVVMMRNSHTE-UHFFFAOYSA-N
rxn:4:187365:224733,CCOc1cc(OC2CCN(C)CC2)ccc1-c1ccc(OC(F)F)c(OC2CCC2)c1,XHABFAZJEBFKSC-UHFFFAOYSA-N
rxn:4:187377:224817,CC1CCN(C(=O)CS(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)CC1,CPSSDJSXPLCVCS-UHFFFAOYSA-N
rxn:4:187413:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)c1,TYPYCVHRXXXTET-UHFFFAOYSA-N
rxn:4:187413:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,RGSDDZZRLNPIPN-UHFFFAOYSA-N
rxn:4:187418:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)C2)c1,YZJGAUFHWSZZRR-UHFFFAOYSA-N
rxn:4:187421:223533,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,IKRGRHGNGSONTH-UHFFFAOYSA-N
rxn:4:187421:224971,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(CN2CCN(C)CC2)cc1,AALKYRRSEPSXFI-UHFFFAOYSA-N
rxn:4:187438:223480,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,ISRGRIWEHOLMKM-UHFFFAOYSA-N
rxn:4:187439:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)co3)cc12,HPPNAWKKBJPQFZ-UHFFFAOYSA-N
rxn:4:187441:222998,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(F)cc(C4CCCNC4)c3)o2)C1,QNHMIFQNQNXDNX-UHFFFAOYSA-N
rxn:4:187461:223536,COc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,NQVFDCIJRBDKGR-UHFFFAOYSA-N
rxn:4:187484:225738,CCCCOc1cc(F)c(-c2ccc(OCC)c(S(=O)(=O)N3CCCCC3C)c2)cc1F,QNOCTZZWTRDQDV-UHFFFAOYSA-N
rxn:4:187488:224819,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,MVBMFZLNDDTYFS-UHFFFAOYSA-N
rxn:4:187488:225296,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,RMSPVCOYWAOMSP-UHFFFAOYSA-N
rxn:4:187492:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,DMBWGEFTGPAONR-UHFFFAOYSA-N
rxn:4:187492:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)C1,ZWOHPZQDAWMQHR-UHFFFAOYSA-N
rxn:4:187494:225218,CC1CCCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)cc2Cl)C1,FWJCHLXTUCPSKV-UHFFFAOYSA-N
rxn:4:187500:222465,COc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc(OC)c1C(=O)N1CCCCC1C,VSFIZHVCKFOOTQ-UHFFFAOYSA-N
rxn:4:187558:223521,CC(c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,XNALHUNCZBNKGK-UHFFFAOYSA-N
rxn:4:187578:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C)c2)c(C(F)(F)F)c1,IEZJZHFYEJCBOH-UHFFFAOYSA-N
rxn:4:187579:223502,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,XJEBFHWCIJKWDB-UHFFFAOYSA-N
rxn:4:187580:223660,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)o1,QSSCAIVNQCSMIV-UHFFFAOYSA-N
rxn:4:187582:223520,CC(c1ccc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,LSLXCTPVKNBKKW-UHFFFAOYSA-N
rxn:4:187582:223532,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,BNUHLMAMEKNTRC-UHFFFAOYSA-N
rxn:4:187590:225433,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(CSC4CCCC4)cc3)c(F)c2)C1,PFOGYHMDIHYHQG-UHFFFAOYSA-N
rxn:4:187592:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c(F)cn2)CC1,UVGKAEKNZMOGQG-UHFFFAOYSA-N
rxn:4:187592:224073,CC[Si](CC)(CC)c1cc2cccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c2s1,USFUCRISWOCQMN-UHFFFAOYSA-N
rxn:4:187592:225943,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccc(C(=O)N4CCOCC4)s3)c2)CC1,VVDQYGPBIKSYFT-UHFFFAOYSA-N
rxn:4:187592:226511,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cc(Cl)cnc3OCC3CC3)c2)CC1,IYARRSKHXVAQIC-UHFFFAOYSA-N
rxn:4:187593:224157,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2F)C1,ANLXLERIZOGVHP-UHFFFAOYSA-N
rxn:4:187594:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,CSEIVMNKOGFYSZ-UHFFFAOYSA-N
rxn:4:187595:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,BISIHBKOBYZSMD-UHFFFAOYSA-N
rxn:4:187596:223507,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,VWPYAGNRTVKBMK-UHFFFAOYSA-N
rxn:4:187622:224246,CC1CCN(Cc2ccc(OC(C)C)c(-c3ccc(C(=O)N4CCC(C)CC4)c(F)c3)c2)CC1,VFJRQBGZCOSDMT-UHFFFAOYSA-N
rxn:4:187639:222613,CCCNS(=O)(=O)c1ccc(-c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C2C=CS(=O)(=O)C2)c(C(F)(F)F)c1,XCTTTWIQQSJAOM-UHFFFAOYSA-N
rxn:4:187668:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2C)cc1,ZYPAOVWFVXMODE-UHFFFAOYSA-N
rxn:4:187672:224971,CN1CCN(Cc2ccc(-c3cc(CN4CCCC(C(F)(F)F)C4)cc(C(C)(C)C)c3)cc2)CC1,YQGJJTUIACRQHB-UHFFFAOYSA-N
rxn:4:187673:223506,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,CIRYKGCJENPSEE-UHFFFAOYSA-N
rxn:4:187754:223810,CCOC(=O)C(=O)c1cn(C)c2ccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cc12,ZGOFKZNMVCBZEE-UHFFFAOYSA-N
rxn:4:187779:222389,COCCCN1CCOc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc21,FTYZKXWSAZGTBX-UHFFFAOYSA-N
rxn:4:187779:223814,COCCCN1CCOc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc21,PAJPWIGJENVXLO-UHFFFAOYSA-N
rxn:4:187822:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)cnc1Cl,QSQVYPIPHXWMFY-UHFFFAOYSA-N
rxn:4:187944:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2C1,NTJNLVZAJNPBSB-UHFFFAOYSA-N
rxn:4:187995:223581,CCc1cc(-c2cc3cccc(C(=O)OC)c3n2C(=O)OC(C)(C)C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,CYTVODAKXBWHLH-UHFFFAOYSA-N
rxn:4:188741:223696,CC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1[N+](=O)[O-],IANQLVUVWGAYGN-UHFFFAOYSA-N
rxn:4:188900:223845,CCS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1,NZHCXGRMLBEMRG-UHFFFAOYSA-N
rxn:4:188927:223696,CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,KODHBHGATWDBFU-UHFFFAOYSA-N
rxn:4:189765:223595,CN(C(=O)c1c(F)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1F)c1ccccc1F,UVZTZNKMPQVGNC-UHFFFAOYSA-N
rxn:4:189916:223695,O=C(C(=O)N1CCCCC1)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,MEUQYMAIOTUWNJ-UHFFFAOYSA-N
rxn:4:189926:222389,O=S(=O)(Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N1CCOCC1,YZCZAPPGBHZSLR-UHFFFAOYSA-N
rxn:4:189926:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1,MMPGFGYWMOFPHR-UHFFFAOYSA-N
rxn:4:190010:224397,C#CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)CC1,KBLPXCAMQYZUNH-UHFFFAOYSA-N
rxn:4:190016:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,NVPGGFQXDKMHFU-UHFFFAOYSA-N
rxn:4:190166:222719,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCCCC1,WOJZIAHCQBTITE-UHFFFAOYSA-N
rxn:4:190166:222851,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc(C2CCNCC2)n1,ONHCNRQBYQDOKW-UHFFFAOYSA-N
rxn:4:190183:223841,COc1c(CN2CCCCC2)cccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,ARRHECSSVKGSIY-UHFFFAOYSA-N
rxn:4:190249:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cccc(C=C4SC(=S)N(c5cccc(C(F)(F)F)c5)C4=O)c3)cc12,CJFDPSYNCBPNGQ-UHFFFAOYSA-N
rxn:4:190315:224089,CC1CCN(CCOc2ccc(-c3cc(CCN4CCC(C)CC4)ccc3F)cc2)CC1,MAADNWLPHCKUAO-UHFFFAOYSA-N
rxn:4:190364:224247,COc1ccc(CN2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,BORJQIASYIOJJV-UHFFFAOYSA-N
rxn:4:190365:222628,COC1CCN(Cc2ccc(C)cc2-c2cc(C3CCC3)nc(C3CCCNC3)c2)CC1,RQRBQDJVQOJLFY-UHFFFAOYSA-N
rxn:4:190365:224009,COc1ccc(-c2cc(C)ccc2CN2CCC(OC)CC2)cc1S(=O)(=O)N1CCOCC1,GYNXMAFQUOMSPW-UHFFFAOYSA-N
rxn:4:190381:224991,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)C1,HFJAQQABXQNBKU-UHFFFAOYSA-N
rxn:4:190465:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)N2CCSC(c3ccccc3)CC2)cc1,RKUVAAQKQSTSEG-UHFFFAOYSA-N
rxn:4:190496:224187,CC1CCN(Cc2cc(-c3ccc(OCCN4CCCCC4)cc3F)cc(C(C)(C)C)c2)CC1,RJKNKULXBSCIEP-UHFFFAOYSA-N
rxn:4:190827:224160,CC(C)(C)OC(=O)N1Cc2c(cccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1=O,HOXVKCXRRQBERM-UHFFFAOYSA-N
rxn:4:190848:224395,C[Si](C)(C)OC1(C#N)CCc2cc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc21,LWMVNROQXDKSLB-UHFFFAOYSA-N
rxn:4:190926:222769,CC(C)(C)OC(=O)N1CCC(=O)c2ccc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)cc21,ZWQGYRAPOJLEQE-UHFFFAOYSA-N
rxn:4:190926:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)cc1Cl,RAABGVKVUFPGAA-UHFFFAOYSA-N
rxn:4:190952:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc2C1,KVIZYJVZTBAWBM-UHFFFAOYSA-N
rxn:4:191042:223084,CC(C)(C)OC(=O)N1CC2(Cc3ccc(-c4cnc(N5CCC(O)CC5)nc4)cc3C2=O)C1,AZMZCIWPEQVFEL-UHFFFAOYSA-N
rxn:4:191043:227656,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cc(N5CCOCC5)cs4)ccc3C2=O)CC1,OJEFXFJQHKIAPE-RUCARUNLSA-N
rxn:4:191103:223136,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccncc4C4CCCNC4)cc32)CC1,IGSCZHVMXRQAND-UHFFFAOYSA-N
rxn:4:191115:224280,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc1O2,QJMXJVOJSMNWCW-UHFFFAOYSA-N
rxn:4:191115:228010,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cc(Cl)ccc3C3CC3)ccc1O2,JMXKIVVEMXSYEE-UHFFFAOYSA-N
rxn:4:191117:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc4c3C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc2)CC1,JMVSLRGAICHUKI-UHFFFAOYSA-N
rxn:4:191119:227100,Cc1cc(C2CC2)cc(F)c1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,SWMUZDLYFDYNJK-UHFFFAOYSA-N
rxn:4:191120:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)cnc1Cl,SZXJBOZDMOQXPB-UHFFFAOYSA-N
rxn:4:191123:225227,CC1CCN(c2ncc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,ISRZEWBUEXGWEF-UHFFFAOYSA-N
rxn:4:191123:225437,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cccc(CN5CCCCC5)c4)c32)CC1,CZPWIASQZVDSTC-UHFFFAOYSA-N
rxn:4:191123:225438,CC(c1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCCC1,ZQXZRWPOURNGOZ-UHFFFAOYSA-N
rxn:4:191125:223933,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)ccc32)CC1,LKPBPVBETOEWDI-UHFFFAOYSA-N
rxn:4:191129:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)ccc2F)CC1,STEUNXZYWUGFNX-UHFFFAOYSA-N
rxn:4:193247:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(N4CCCC4)c3C(F)(F)F)c2)CC1,LPEWUYBBYBZOQI-UHFFFAOYSA-N
rxn:4:193352:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cccc(CN4C(=O)CCCC4=O)c3)cc2)CC1,WCXGQADAXJVQGS-UHFFFAOYSA-N
rxn:4:193497:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)c1,HPNGLTRPSVOGQW-HZCBDIJESA-N
rxn:4:193499:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCC(=O)CC2)c1,PLHFMNDGIJYOOE-UHFFFAOYSA-N
rxn:4:193603:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c(F)c1)N1CCCCC1,SRJVNMWZQCNOFZ-UHFFFAOYSA-N
rxn:4:193603:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1F,ONHYUVJZSSLIND-UHFFFAOYSA-N
rxn:4:193632:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1,YOSZEGNQVCHTQY-UHFFFAOYSA-N
rxn:4:193660:222524,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cnc1OC1CCCCC1,QUUWGMVYTCHODR-UHFFFAOYSA-N
rxn:4:193664:223498,Cc1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c(CN2CCOCC2)c1,QSGASIKNOJFLPL-UHFFFAOYSA-N
rxn:4:193687:224320,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,GFISAOIQANQKJA-UHFFFAOYSA-N
rxn:4:193738:223847,CCCCCC1CCC(c2ccc(-c3cccc([C@H](C)N4CCC(=O)CC4)c3)cc2)CC1,FUIKJJXLTMNVGD-KAVZGVEFSA-N
rxn:4:193745:223993,Cc1cc(-c2cc(C3CC3)ccc2N2CCOCC2)ccc1S(=O)(=O)N1CCN(C)CC1,CCEYBFOSKRFSEJ-UHFFFAOYSA-N
rxn:4:193827:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,FMTUXRSGXHUHNH-UHFFFAOYSA-N
rxn:4:193828:222631,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(C2CCNCC2)n1,GUNKPMGPJGCBGB-UHFFFAOYSA-N
rxn:4:193881:224249,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C(=O)N3CCCC(C)C3)ccc2F)CC1,GBLWPASEVULXNM-UHFFFAOYSA-N
rxn:4:193957:224323,Cc1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,FOLLOCOTXJHIBO-UHFFFAOYSA-N
rxn:4:193961:223748,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,CBMNAXQYGYXKHN-UHFFFAOYSA-N
rxn:4:193973:222950,CONS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1OC,CTECCTHLLJKPFX-UHFFFAOYSA-N
rxn:4:193974:224015,Cc1cc(F)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)N1CCOCC1,BJCLRPOLICXUGR-UHFFFAOYSA-N
rxn:4:194730:222684,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc32)CC1,XKJLNCNSRNNYMK-UHFFFAOYSA-N
rxn:4:194731:222684,COC1CCN(C2CCc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cc32)CC1,PILOHVJPHTXDNE-UHFFFAOYSA-N
rxn:4:194853:224502,CN1CCCCC1COc1cccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)c1,PKLDGLSENBCNRX-UHFFFAOYSA-N
rxn:4:194853:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)c(F)c1,HTUJWIPOEWLOEZ-UHFFFAOYSA-N
rxn:4:196528:223608,O=C1CCC(=O)N1c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1,YJWMJZDMHMBDQC-UHFFFAOYSA-N
rxn:4:196852:223590,Cc1nc(C2CCCO2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,BWLXCMMYBLCUET-UHFFFAOYSA-N
rxn:4:196873:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCOCC2)cc1Cl,SNTSRJLSASZZNL-UHFFFAOYSA-N
rxn:4:199557:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(C#N)c(OC2CN(C(=O)OC(C)(C)C)C2)c1,BRGMITSHEPLMCG-UHFFFAOYSA-N
rxn:4:199570:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(OC[C@H]4CCN4C(=O)OC(C)(C)C)c3)cc2F)CC1,FIAQDUMTVPLLLU-JOCHJYFZSA-N
rxn:4:199570:225799,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cncc(OC3CCOCC3)c2)c1,WRLKKRSIOXBJKM-LJQANCHMSA-N
rxn:4:199649:226222,CCCCCOc1ccc(-c2cnc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cn1,KPGMAXRZKPOSDY-UHFFFAOYSA-N
rxn:4:199650:222790,Cc1cc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,IKWRPIWPXPWHIR-UHFFFAOYSA-N
rxn:4:199650:224158,Cc1cc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,IJRNOOFZVXFSSZ-UHFFFAOYSA-N
rxn:4:199652:225909,CCOc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])c(C(F)(F)F)c1,FBAFFDRPNPMKOG-UHFFFAOYSA-N
rxn:4:199693:224213,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2cc(F)ccc2OCc2cccc(F)c2)CC1,MXCXMILLRRUGHW-UHFFFAOYSA-N
rxn:4:199693:224268,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)CC1,BXGBFNHHURXICG-UHFFFAOYSA-N
rxn:4:199707:223106,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cnc(N4CCC(O)C4)nc3Cl)n2)C1,BNTUDRUTOBGZSZ-UHFFFAOYSA-N
rxn:4:199709:225741,CCCCOc1c(F)cc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,DLRFRJDGWJGCJM-UHFFFAOYSA-N
rxn:4:199711:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,GLZOVKDYYSEPND-UHFFFAOYSA-N
rxn:4:199713:223242,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccnc(C2CCNC2)c1,OGEWILFJZFUCGQ-UHFFFAOYSA-N
rxn:4:199714:223525,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,RGFLXIYKMUOWGU-UHFFFAOYSA-N
rxn:4:199714:223531,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,NPWIMDKVTRVJAY-UHFFFAOYSA-N
rxn:4:199714:225472,CC1CCCCN1c1cccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,WNTMETJFILXYSQ-UHFFFAOYSA-N
rxn:4:199716:223761,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,WJTWLBLKVUUOCJ-UHFFFAOYSA-N
rxn:4:199716:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cccnc1OCC1CCN(C(=O)OC(C)(C)C)CC1,GDFTYQRBQVQWPD-UHFFFAOYSA-N
rxn:4:199719:226502,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2ccn(C(=O)OC(C)(C)C)c2)CC1,IIRSXYMUZXQRDQ-UHFFFAOYSA-N
rxn:4:199726:224102,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cccc(C(=O)OCc4ccccc4)c3)cc(C#N)c2F)CC1,JLSBJFRTSUSVCI-UHFFFAOYSA-N
rxn:4:199741:223521,CC(c1cccc(-c2cccc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ZSYHEMNTRKKMFP-UHFFFAOYSA-N
rxn:4:199743:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,XKCSHJAFQPBBFO-UHFFFAOYSA-N
rxn:4:199743:224062,Cc1ccc(C)c(COc2cccc(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ITTVPEZJABTWOU-UHFFFAOYSA-N
rxn:4:199757:225947,CN1CCN(c2ncc(-c3ccc(CN(C)C(=O)OC(C)(C)C)c(N4CCCC4)c3)cn2)CC1,YWHJYXRVBNWONZ-UHFFFAOYSA-N
rxn:4:199760:223520,CC(c1ccc(-c2ccccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,GYJPZMOMCGYBEE-UHFFFAOYSA-N
rxn:4:199763:223933,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)CC1,SKTIWDUVMKYRPU-UHFFFAOYSA-N
rxn:4:199763:224269,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c2)CC1,PCNMDHZHHPNTSD-UHFFFAOYSA-N
rxn:4:199764:223534,COC(=O)c1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PRWQYJFNNBJXLR-UHFFFAOYSA-N
rxn:4:199764:225876,COC(=O)c1cc(-c2cc(Cl)ccc2N2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XVCROVZCQGGFCR-UHFFFAOYSA-N
rxn:4:199766:226021,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2cc(Cl)ccc2OCC(F)(F)F)CC1,JYHXAJIKQZATKX-UHFFFAOYSA-N
rxn:4:199769:227062,CCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(OC)cc2Cl)c(C)c1C,AUKANHFYQOFJJQ-UHFFFAOYSA-N
rxn:4:199776:228077,COc1ccc(-c2ccc3c(c2)C(=O)OC3)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,RWGZERZQEGVREP-UHFFFAOYSA-N
rxn:4:199778:228214,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cnc(C4CC4)cc3F)cc(C(F)(F)F)c2)CC1,NTRNFOZPQGATIG-UHFFFAOYSA-N
rxn:4:199787:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc([N+](=O)[O-])c(C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1,PWSSEPRKXUALTL-UHFFFAOYSA-N
rxn:4:199790:223821,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc2c1ccn2S(=O)(=O)c1ccccc1,ALAPBACLXGOPTN-UHFFFAOYSA-N
rxn:4:199790:228763,CCc1c(F)cncc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,ZRVLACPMEXWOKC-UHFFFAOYSA-N
rxn:4:199791:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BIJGLAQIRGGNCL-UHFFFAOYSA-N
rxn:4:199791:223560,COC(=O)c1cc(-c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)nc2ccccc12,PAJUGXZUFXHNGU-UHFFFAOYSA-N
rxn:4:199810:222809,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,DWKCGCQBYVWTLG-UHFFFAOYSA-N
rxn:4:199812:227100,Cc1cc(C2CC2)cc(F)c1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1,CALNRROKWZZAMD-UHFFFAOYSA-N
rxn:4:199813:224280,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,SOANMQMKGBDSAA-UHFFFAOYSA-N
rxn:4:199830:224714,CCCCOc1ccc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1C(F)(F)F,CAJMLBCEWLJPID-UHFFFAOYSA-N
rxn:4:199839:222540,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,WAKHWSDYSDITLD-HSZRJFAPSA-N
rxn:4:199839:228090,CCOCc1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2OC)c1,OPVBBYOMELGCKM-GOSISDBHSA-N
rxn:4:199840:224273,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc2)C1,QDTNKFKOAGLAEJ-UHFFFAOYSA-N
rxn:4:199842:225138,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccn(-c2ccnc(C3CC3)c2)n1,FFOYLTIQMHTTSX-UHFFFAOYSA-N
rxn:4:199860:223158,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(C(=O)NCC)c(F)c1,WIKUFCBAWCTHQI-UHFFFAOYSA-N
rxn:4:199860:223992,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,BSJMYCCXJGZMMW-UHFFFAOYSA-N
rxn:4:199863:223261,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(Cl)c(C(=O)NC)c1,PYCXFVHUSUDXOR-UHFFFAOYSA-N
rxn:4:200131:223531,COC(=O)Cc1cc(C#N)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1[N+](=O)[O-],LRCYVMGNWIMCJT-UHFFFAOYSA-N
rxn:4:200357:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCOC(C)C1,WZAUHEOUWPEJPX-UHFFFAOYSA-N
rxn:4:200366:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3C#N)cc2)CC1,QTBDAUQLCOBBFE-UHFFFAOYSA-N
rxn:4:200366:224720,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c(C#N)c2)C1,CYXXFQGNNSWLQX-UHFFFAOYSA-N
rxn:4:200368:226715,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)c(-c3cnn(C(=O)OC(C)(C)C)c3)c2)C1,RASXHMQQQUBYIN-UHFFFAOYSA-N
rxn:4:200371:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc2C1,KTUUJQVVIHORBN-UHFFFAOYSA-N
rxn:4:200427:225348,COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3C(=O)OC)cc2)CC1,ILEVLKLKRLOPIX-UHFFFAOYSA-N
rxn:4:200467:223832,CCN1CCN(CCOc2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)cc2F)CC1,ZAAGCHNICCGMFZ-UHFFFAOYSA-N
rxn:4:200467:225008,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(OC)CC4)cc3)cc2F)CC1,QRWWFARQJYXUQD-UHFFFAOYSA-N
rxn:4:200473:224162,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)C1,UMPUDKVANDLGQL-HXUWFJFHSA-N
rxn:4:200477:223651,COc1ncc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)cc1C1CN(C(=O)OC(C)(C)C)C1,FAMHWQRMXCIICI-UHFFFAOYSA-N
rxn:4:200477:224271,COc1ncc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,IZQYEEGCPRWZML-UHFFFAOYSA-N
rxn:4:200479:223525,COCCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,KSYJJPLMNDRJQJ-UHFFFAOYSA-N
rxn:4:200515:224761,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,YLGCBQXECAQDOJ-UHFFFAOYSA-N
rxn:4:200515:224819,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,YUCYJEHGVFUTRH-UHFFFAOYSA-N
rxn:4:200534:224820,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N(C(=O)N1CCCCC1)c1ccccc1,AARUHCNCVIPDKR-UHFFFAOYSA-N
rxn:4:200541:223842,COc1ccc(C(=O)N2CCC(Oc3ncccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)C2)cc1F,DNLRNFYBPREULZ-UHFFFAOYSA-N
rxn:4:200557:223064,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3F)cc2)CC1,ANDCIJYDGODFJE-UHFFFAOYSA-N
rxn:4:200559:223506,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)co2)CC1,SFFCIKCMLWOVRM-UHFFFAOYSA-N
rxn:4:200560:223937,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,YGHKDCPDRNRNIK-UHFFFAOYSA-N
rxn:4:200560:226839,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cc(C(F)(F)F)ncc2C#N)CC1,VXUUXKQMWLVIBT-UHFFFAOYSA-N
rxn:4:200567:222575,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4Cl)cc3)c(C)c2)CC1,JFYCNOVEOYEVDQ-UHFFFAOYSA-N
rxn:4:200595:224280,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)nc2)CC1,DYMNHUVVGSZSKK-UHFFFAOYSA-N
rxn:4:200596:223683,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)n2)CC1,KAHXVLQTXRTSPS-UHFFFAOYSA-N
rxn:4:200596:224161,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)n2)CC1,BXMQOFRWPSPEJX-UHFFFAOYSA-N
rxn:4:200600:222475,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(F)c(C(=O)NCc2ccc(C)cc2)c1,YHIBQWPAGONVSB-UHFFFAOYSA-N
rxn:4:200600:225178,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(CN2CCOCC2)cc1F,HBMDXRRKJVVCAA-UHFFFAOYSA-N
rxn:4:200600:226120,CCCOc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2OCCC)c(C)c1,YEGISVABRJDFMZ-UHFFFAOYSA-N
rxn:4:200604:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cncc(O[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,HMFUMQDDECBYSH-XMMPIXPASA-N
rxn:4:200605:223505,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WUJUFNIAZMVEEU-UHFFFAOYSA-N
rxn:4:200605:223525,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QVSGMUWDXRIZNU-UHFFFAOYSA-N
rxn:4:200605:225829,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(C)CC2)nc1,XHLWYDDMGGCLIZ-UHFFFAOYSA-N
rxn:4:200610:225899,Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n(C(=O)OC(C)(C)C)n1,AUBNAKMNCVCKPE-UHFFFAOYSA-N
rxn:4:200643:223058,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cc(F)nc(C4CCCNC4)c3)nc2)CC1,UHELTMATHSCGCH-UHFFFAOYSA-N
rxn:4:200643:224372,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)nc2)CC1,REVZEPUCZWONML-UHFFFAOYSA-N
rxn:4:200649:226545,CCCOc1c(Cl)ccc(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1F,MMIIGWUBSYLCPB-UHFFFAOYSA-N
rxn:4:200651:224272,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cc2)CC1,KVPRGGYNMXKZIJ-UHFFFAOYSA-N
rxn:4:200652:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,RGAWMSSIFJKXJE-UHFFFAOYSA-N
rxn:4:200652:223886,CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,LLWPHLHTFHAIQD-UHFFFAOYSA-N
rxn:4:200671:224767,O=C(CCc1ccccc1-c1cccc(C(=O)N2CCOCC2)c1F)N1CCC(N2C(=O)COC2=O)CC1,UWKYOTMKZMBIRG-UHFFFAOYSA-N
rxn:4:200671:228488,O=C(CCc1ccccc1-c1ccc(F)cc1[N+](=O)[O-])N1CCC(N2C(=O)COC2=O)CC1,NIPFNGANZZAOEV-UHFFFAOYSA-N
rxn:4:200698:224319,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)ccc1CN1CCN(C(C)C)CC1,AJFYHMKMYQTFFF-UHFFFAOYSA-N
rxn:4:200702:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,KCAISRLAKKWCAC-UHFFFAOYSA-N
rxn:4:200702:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,DFSDKDAAISFKQG-UHFFFAOYSA-N
rxn:4:200705:224274,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)c2Cl)CC1,CMBMVTYDEQQJIF-UHFFFAOYSA-N
rxn:4:200707:227503,CC(C)Oc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(F)cn1,KSIWRDASSCLRCE-UHFFFAOYSA-N
rxn:4:200708:225437,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(CN4CCCCC4)c3)c(F)c2)CC1,IKWOGCWNGDXYFG-UHFFFAOYSA-N
rxn:4:200709:223885,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2F)CC1,PKRGNEGORGEFTH-UHFFFAOYSA-N
rxn:4:200720:223658,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2)CC1,ZPTREZLETPEGHI-UHFFFAOYSA-N
rxn:4:200730:226538,CCOC(=O)c1cc(Cl)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)(F)F,MYELBOMRORJUIJ-UHFFFAOYSA-N
rxn:4:200734:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F,IIEUHQIODSHDHP-UHFFFAOYSA-N
rxn:4:200760:224158,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,PECDANHQEQSNFP-UHFFFAOYSA-N
rxn:4:200776:223695,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)CC2)cc1,LUKIMFNKNIZNGV-UHFFFAOYSA-N
rxn:4:200776:225977,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(Cl)cnc3N3CCOCC3)CC2)cc1,DBUNDEQVTLTOJY-UHFFFAOYSA-N
rxn:4:200781:225294,CCN1CCN(c2ncc(-c3cc(C)ccc3C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LJPMBZTYKAFHFP-UHFFFAOYSA-N
rxn:4:200783:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(C(F)(F)F)c1,SWZDJPDEWSKMTE-UHFFFAOYSA-N
rxn:4:200799:224622,O=C(CCc1ccccc1-c1ccn(C(=O)OCc2ccccc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,SZPJKPFTMVNVIX-UHFFFAOYSA-N
rxn:4:200799:227686,COc1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1[N+](=O)[O-],PFYZVUDUAURJPZ-UHFFFAOYSA-N
rxn:4:200803:224397,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,IWZLUTYUXWUSBO-UHFFFAOYSA-N
rxn:4:200813:225896,COCCOc1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)cc1F,PKVGIBPDBCTQNS-UHFFFAOYSA-N
rxn:4:200817:223507,CC(c1ccccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1,RYWVKLBRHIBQIT-UHFFFAOYSA-N
rxn:4:200818:223498,C[C@H]1CN(Cc2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,LAEYDYGCCZMLTA-DEOSSOPVSA-N
rxn:4:200822:226438,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCC4)cc3F)c2)CC1,KFGDMFBPQXAGMZ-UHFFFAOYSA-N
rxn:4:200823:227694,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(Cl)n1,QLHVEBYGOKNSHZ-UHFFFAOYSA-N
rxn:4:200825:223240,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCNC2)nc1,RZLBDFBIZZAYAZ-UHFFFAOYSA-N
rxn:4:200825:228763,CCc1c(F)cncc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,WYZUJXUVUZJPDM-UHFFFAOYSA-N
rxn:4:200826:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,QTYRRJDNWOWTDH-UHFFFAOYSA-N
rxn:4:200828:222566,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cccc(C(=O)NCc3ccccc3F)c2)c(F)cc1F,TUFDZOPUTUXFIH-UHFFFAOYSA-N
rxn:4:200839:224081,COc1c(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,IOSOJWXIAVRUSX-UHFFFAOYSA-N
rxn:4:200845:222929,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc(C3CC3)c2)CC1,VQCJOMHQDPMLOA-UHFFFAOYSA-N
rxn:4:200857:225876,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cc(Cl)ccc1N1CCOCC1,CMNGYIILTRWCCG-HXUWFJFHSA-N
rxn:4:200871:225995,Cc1cc(-c2cc(C#N)ccc2OC(F)(F)F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,APCMAYCIMHKOSC-UHFFFAOYSA-N
rxn:4:200882:223492,Cc1cc(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LBHFHVHZEBDVLX-UHFFFAOYSA-N
rxn:4:200883:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccccc3CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)CC1,SBZNKORTBPVBMY-UHFFFAOYSA-N
rxn:4:200890:225165,CCOc1ccc(-c2ccc(N3CCOCC3)c(OC)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,UUVOISCFNQCJJQ-UHFFFAOYSA-N
rxn:4:200891:223508,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2C)CC1,YPUSXCCEFJMHRN-UHFFFAOYSA-N
rxn:4:200895:227910,CCC(C)c1ccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)cn1,DFIVHVNZXARDFC-UHFFFAOYSA-N
rxn:4:200897:226446,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(C2CCOC2)nc1C,UNLCRYUAZKMRDH-UHFFFAOYSA-N
rxn:4:201034:225368,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)ccc21)c1ccccc1,KTTHEUPVVWGBHC-UHFFFAOYSA-N
rxn:4:201089:223490,Cc1ccc(-c2ccc3sc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HVAGZQQGHSJBAD-UHFFFAOYSA-N
rxn:4:201134:228218,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)ncc3F)c3ccccc23)CC1,AWIBTGSFLZTSDU-UHFFFAOYSA-N
rxn:4:201271:223598,COCc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnn1CCF,VZIYCZHBXQMIDQ-UHFFFAOYSA-N
rxn:4:201305:223539,COC(=O)CCn1ncc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C,DTGACBRQFZDXGB-UHFFFAOYSA-N
rxn:4:201622:224817,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1,QQVXGGFHCUAFQD-UHFFFAOYSA-N
rxn:4:201644:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)on3)cn2)CC1,LCMPCFNAVIUSQH-UHFFFAOYSA-N
rxn:4:201646:224391,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)nn1CC1CCOCC1,DLLFFKKTBAMEBE-UHFFFAOYSA-N
rxn:4:201765:226273,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1,GIMAVXJPIWSJHO-UHFFFAOYSA-N
rxn:4:201773:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)n3)cc2C1,LWWAVKNHWJRDBX-UHFFFAOYSA-N
rxn:4:201774:224397,CC(C)(C)OC(=O)N1CCC[C@H]1c1csc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)n1,NYALCWTUFHCFQB-FQEVSTJZSA-N
rxn:4:201775:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3nc(C4CCN(C(=O)OC(C)(C)C)C4)cs3)cc12,IYBQTPUWTVIURC-UHFFFAOYSA-N
rxn:4:201824:224720,CCn1nc(C)c(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)c1COC1CCCCO1,YYONTXDPSZZRAN-UHFFFAOYSA-N
rxn:4:201826:224291,CN1CCN(CCOc2ccccc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,MXFVWKCXJANEKC-UHFFFAOYSA-N
rxn:4:201857:225583,O=C(Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1)N1CC(N2C(=O)CCC2=O)C1,XMYXBBWLGMRMKG-UHFFFAOYSA-N
rxn:4:201924:225829,CC1CCN(c2ncc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,BRDOYBRKUCVFHL-UHFFFAOYSA-N
rxn:4:201927:223520,CC(c1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,OMNYTVUDBKNFFP-UHFFFAOYSA-N
rxn:4:201927:225227,CC1CCN(c2ncc(-c3csc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2Cl)CC1,FYWPGHZPWRJDNG-UHFFFAOYSA-N
rxn:4:201928:222812,CC(C)(C)OC(=O)Nc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)n2)cnc1Cl,XDYXRKKOMFKDOC-UHFFFAOYSA-N
rxn:4:201932:222613,CCCNS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)c1,IZMRGRHLDCUNRI-UHFFFAOYSA-N
rxn:4:201945:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)cc21,UKHPQTBGDIMLTG-RUZDIDTESA-N
rxn:4:201953:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)ccc1CN1CCN(C)CC1,JRYIHNWQKVSCLH-UHFFFAOYSA-N
rxn:4:201962:223058,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,QQQITNUMIBJRLJ-UHFFFAOYSA-N
rxn:4:201989:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,PZCCLBYWXNBXEV-YOCNBXQISA-N
rxn:4:202001:223975,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)c1,GMMJSUSXHWIFFN-UHFFFAOYSA-N
rxn:4:202010:223480,Cc1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NCBBPJGGEVQKPI-UHFFFAOYSA-N
rxn:4:202010:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cncc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,GBYWILJBRJTRMG-UHFFFAOYSA-N
rxn:4:202022:225829,CC1CCN(c2ncc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cn2)CC1,FFYYSZWOXRZXIA-UHFFFAOYSA-N
rxn:4:202065:224171,COc1cc(-c2ccc(OCCCN3CCCC3)c(F)c2)cc(OC)c1CN1CCN(C)CC1,GIKFAFINQMUJEY-UHFFFAOYSA-N
rxn:4:202065:224665,COc1cc(-c2ccc(F)cc2CN2CCN(C)CC2)cc(OC)c1CN1CCN(C)CC1,YVVXQCDFCQYMRS-UHFFFAOYSA-N
rxn:4:202073:224158,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)C(=O)C1,NRBWVEDCSFUVHD-UHFFFAOYSA-N
rxn:4:202073:225876,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)ccc2N2CCOCC2)C(=O)C1,IEWDBJVBJSZZOD-UHFFFAOYSA-N
rxn:4:202088:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)ccn2)CC1,NPDUXKFZJJPYQK-UHFFFAOYSA-N
rxn:4:202095:225758,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccncc1C(=O)OC(C)(C)C,RRONXKXQFWDXMQ-UHFFFAOYSA-N
rxn:4:202101:222812,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cs1,FOXIMWLMOOJCEJ-UHFFFAOYSA-N
rxn:4:202101:223594,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cs1,SHUMMGIXOBXLSQ-UHFFFAOYSA-N
rxn:4:202101:224269,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cs1,VTHXDPUNKZJIET-UHFFFAOYSA-N
rxn:4:202101:226736,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(C(F)(F)F)cc2C#N)cs1,QJLNFGVMVAXSFH-UHFFFAOYSA-N
rxn:4:202106:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cn2)CC1,AVHDEFFORIBELZ-UHFFFAOYSA-N
rxn:4:202107:224160,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)ccn2)C1,CYKZYFDDFIRWNR-UHFFFAOYSA-N
rxn:4:202116:223492,Cc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BGTPAYVJGZCNMH-UHFFFAOYSA-N
rxn:4:202116:225829,CC1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,RKSJFZMMIWHOPS-UHFFFAOYSA-N
rxn:4:202126:223818,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1c(F)cc(F)c2c1ccn2C(=O)OC(C)(C)C,SSOYRFCZDTYLKW-UHFFFAOYSA-N
rxn:4:202127:223668,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)CC1,WDABHWRQNPSIBU-UHFFFAOYSA-N
rxn:4:202133:224160,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,WPHYKYQQZWMXHK-UHFFFAOYSA-N
rxn:4:202139:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(CN2CCC(N(C)C)CC2)cc1C(F)(F)F,GMSQZPOCLVGKBF-UHFFFAOYSA-N
rxn:4:202139:225763,COC(=O)c1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C(F)(F)F)c(C)cc1OC,AJSVRFWFNQQRSP-UHFFFAOYSA-N
rxn:4:202161:223997,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,VITWTEBDJBXTLT-UHFFFAOYSA-N
rxn:4:202161:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,NAUCKDNHKGDXQY-YOCNBXQISA-N
rxn:4:202161:224249,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C(=O)N2CCCC(C)C2)ccc1F,QYJIHOXDYKFFNN-UHFFFAOYSA-N
rxn:4:202161:224572,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(N2CCCC(C)C2)cc1C#N,OEOYNVSTVNRJSW-UHFFFAOYSA-N
rxn:4:202161:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(CN2CCC(N(C)C)CC2)cc1OC,NLTZEUWPUBBJII-UHFFFAOYSA-N
rxn:4:202161:224845,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1,XSQPVEPGNPTWPW-UHFFFAOYSA-N
rxn:4:202161:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(CN2CCC(N(C)C)CC2)cc1OC,UQPHVUFVVVCIKY-UHFFFAOYSA-N
rxn:4:202168:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCC5)C4)cc3)cc2)CC1,XWWACIIVBNGDJI-MONLTZSXSA-N
rxn:4:202175:222996,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1)N1CCOCC1,QSAXBHCZDYYZCO-UHFFFAOYSA-N
rxn:4:202193:225448,Cc1ccc(OC2CCCC2)c(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3N(C)C)cc2)c1,MYTIXVRMRYWSSZ-CLJLJLNGSA-N
rxn:4:202209:222465,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NESSDUROHBWZHS-UHFFFAOYSA-N
rxn:4:202209:223695,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AYDMVGKDFQWIIR-UHFFFAOYSA-N
rxn:4:202222:223928,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,XABISVZQJIPELB-UHFFFAOYSA-N
rxn:4:202233:224720,CC1CCCN(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c(C(=O)OC(C)(C)C)n2)C1,YRBGDIAMLVZEPQ-UHFFFAOYSA-N
rxn:4:202234:223503,Cc1c(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,YUYTYTNSBCMBKV-UHFFFAOYSA-N
rxn:4:202234:225227,Cc1c(-c2cnc(N3CCC(C)CC3)c(Cl)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,NBPTVUBERPNUHU-UHFFFAOYSA-N
rxn:4:202236:223528,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GLQHPPJFSPJNRW-UHFFFAOYSA-N
rxn:4:202236:224280,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,BOOQGCXTYJGSPM-UHFFFAOYSA-N
rxn:4:202236:226096,CC(C)CCOc1cccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,UGJOUZACTBEPBL-UHFFFAOYSA-N
rxn:4:202285:224590,COC1CCN(Cc2ccc(-c3ccc(CN4CCC(C)CC4)cc3F)cc2N2CCCC2)CC1,PZNUTZCKTPDGJA-UHFFFAOYSA-N
rxn:4:202294:224597,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CC2)cc(N2CCOCC2)c1,WJXQCYVPAUBCTQ-UHFFFAOYSA-N
rxn:4:202294:224753,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,AJAOIBRTVBIFQH-UHFFFAOYSA-N
rxn:4:202301:223994,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)CC2)c1,VZERDUGHTLBEDM-UHFFFAOYSA-N
rxn:4:202306:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,NWFNIXJTLNTSDG-UHFFFAOYSA-N
rxn:4:202306:224497,CCN1CCN(Cc2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,OKQHXKMSQUSVFZ-UHFFFAOYSA-N
rxn:4:202309:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN(C)C2CCOCC2)c(N2CCOCC2)c1,KDCSISRPFPKWSE-UHFFFAOYSA-N
rxn:4:202320:223203,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(C4(O)CCC4)c3)c2)CC1,USTSBNJEHUHHBY-UHFFFAOYSA-N
rxn:4:202320:223879,CCCc1ccc(-c2ccc(-c3cc(F)cc(N4CCN(O[Si](C)(C)C(C)(C)C)CC4)c3)c(F)c2F)cc1,ALIARQGIFHLHSB-UHFFFAOYSA-N
rxn:4:202320:226910,CCC(C)(C)c1ccc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,UMXPRPNGYRRLJS-UHFFFAOYSA-N
rxn:4:202320:226911,CCc1cc(C)cc(CC)c1-c1cc(F)cc(N2CCN(O[Si](C)(C)C(C)(C)C)CC2)c1,QFARUGMONJVONX-UHFFFAOYSA-N
rxn:4:202320:226917,Cc1cc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,TYJPYCFFVIJYQQ-UHFFFAOYSA-N
rxn:4:202320:226926,Cc1cc(C(C)(C)C)ccc1-c1cc(F)cc(N2CCN(O[Si](C)(C)C(C)(C)C)CC2)c1,IMUVXOAWVXANEB-UHFFFAOYSA-N
rxn:4:202327:227041,CCOc1cc(C)c(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)cc1C,BUCVYOSUEBJFPH-UHFFFAOYSA-N
rxn:4:202331:223999,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,MYWOQMFBAWFQAK-UHFFFAOYSA-N
rxn:4:202461:224318,CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)c(C(F)(F)F)nn4C(=O)OC(C)(C)C)cc2F)CC1,AQMYVZDYJMCKHP-UHFFFAOYSA-N
rxn:4:202518:223095,CC(=O)Nc1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1[N+](=O)[O-],RQVZBBFQWRIGGZ-KRWDZBQOSA-N
rxn:4:202600:228077,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc3c(c2)C(=O)OC3)c1,RLKUFXJWVZMTJE-UHFFFAOYSA-N
rxn:4:202697:223589,COc1ccc(N2C(=NC(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cc3)SC3CS(=O)(=O)CC32)cc1,OMXVBESLFUTZEV-UHFFFAOYSA-N
rxn:4:202726:222567,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(C(=O)NCc5ccccc5Cl)cc4)ccc32)CC1,JZEIMQINBHOWCJ-UHFFFAOYSA-N
rxn:4:203072:223608,CCOC(=O)c1nc(C)ncc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,VURSUGAGDBEAEB-UHFFFAOYSA-N
rxn:4:203145:223539,CCOC(=O)c1c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn(C)c1C,ZWUNBTUHIMLIBE-UHFFFAOYSA-N
rxn:4:203545:225867,O=C(c1ccc(-c2cnc(Cl)c(N3CCCCC3)c2)o1)N1CC(N2C(=O)CSC2=O)C1,HFELCMOJNIQQCQ-UHFFFAOYSA-N
rxn:4:203684:223970,COc1c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cncc1S(=O)(=O)N1CCOCC1,AYKHGLVQJLLFNF-UHFFFAOYSA-N
rxn:4:203709:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5C(=O)COC5=O)C4)o3)cc2F)CC1,YABMKOOJXSDTRL-UHFFFAOYSA-N
rxn:4:203739:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(N3CCN(CC(F)(F)F)CC3)cc2)c1,WRNPUYDOARWERD-AFARHQOCSA-N
rxn:4:203821:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(F)cc1CC(=O)N1CCN(C)CC1,LECXORZCISRRIO-UHFFFAOYSA-N
rxn:4:203825:224819,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1,LJNCDVJYDYPSJP-UHFFFAOYSA-N
rxn:4:203833:226187,O=C(c1ccc(-c2cccc(C3CCOCC3)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,QHAIYGCPBZHXPY-UHFFFAOYSA-N
rxn:4:203897:224760,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1,ITFRVDBYSUKIFZ-UHFFFAOYSA-N
rxn:4:203914:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc(C2CCCNC2)n1,PYUGYTUSAZJZAC-UHFFFAOYSA-N
rxn:4:203915:228340,COc1nc(C2CC2)sc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)C1,WPIYIHNZSHNZBS-UHFFFAOYSA-N
rxn:4:203919:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)cc2)CC1,KONVIEKPIOTPRH-YOCNBXQISA-N
rxn:4:203926:224193,CCN1CCN(Cc2cc(-c3cc(OC)cc(N4CCN(CC)CC4)c3)ccc2F)CC1,JFEUEMSSBKVVSU-UHFFFAOYSA-N
rxn:4:203928:224656,COc1ccc(-c2cccc(CN3CCN(C4CC4)CC3)c2Cl)c(F)c1OC1CCCC1,ZTDGWYWUYWRNBZ-UHFFFAOYSA-N
rxn:4:203977:225570,COC(=O)c1ccc(C2CC2)c(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,LQBIJJBBGIXTNF-UHFFFAOYSA-N
rxn:4:203985:227001,O=C(c1ccccc1-c1cccc(SCC2CC2)c1)N1CCC(N2C(=O)COC2=O)CC1,PGPIUUFSHBVBIJ-UHFFFAOYSA-N
rxn:4:204025:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(CN3CCN(C)CC3)c(S(C)(=O)=O)c2)CC1,GJGAEBXRVBWPCK-UHFFFAOYSA-N
rxn:4:204037:225190,COc1cc(N2CCOCC2)ccc1-c1cc(N2CCC(N(C)C)CC2)ccc1C(F)(F)F,CAHXOKKPLJGHCT-UHFFFAOYSA-N
rxn:4:204037:225346,COc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccc2C(F)(F)F)cc1S(=O)(=O)N(C)C,RUEADKOPVPCASH-UHFFFAOYSA-N
rxn:4:204070:223996,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(N2CCN(C)CC2)cc1C(F)(F)F,PYUMJYJJLUASNG-UHFFFAOYSA-N
rxn:4:204077:225715,COCCOCc1cc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)ccc1F,LNGOXXFJISOGBO-UHFFFAOYSA-N
rxn:4:204082:223221,CC(=O)NCc1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,CQHSWBCJGSUYTN-UHFFFAOYSA-N
rxn:4:204082:225525,CCOC(=O)CCc1ccccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,QTWVJUYAGVGGMU-UHFFFAOYSA-N
rxn:4:204082:227348,COc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c(C)c1OC,IBTAGRNYEWVYMG-UHFFFAOYSA-N
rxn:4:204082:227920,CCC(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1,MYOVTLCCNXPWIL-UHFFFAOYSA-N
rxn:4:204082:228871,COC(=O)c1ccsc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,SDHNBYOUMAKEKN-UHFFFAOYSA-N
rxn:4:204101:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2)CC1,HXAMFBSBHVYYQO-UHFFFAOYSA-N
rxn:4:204102:225976,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2C)CC1,XRBFYLFDVNNKIT-UHFFFAOYSA-N
rxn:4:204109:225926,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)CC1,IRBQNTPUHPYBNR-UHFFFAOYSA-N
rxn:4:204109:226302,CCOC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c(C)c1,GSOXPZKKFZWAKB-UHFFFAOYSA-N
rxn:4:204109:226444,Cc1nc(C2CCCO2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,QRMJHFAYCMLQFD-UHFFFAOYSA-N
rxn:4:204109:226649,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccnc2N2CCOCC2)CC1,ZIKJNAYXVINBQD-UHFFFAOYSA-N
rxn:4:204109:227360,CCC(=O)c1ccc(Cl)c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,YDVZLGSLKQSJRV-UHFFFAOYSA-N
rxn:4:204134:228465,COC(=O)c1sc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1Cl,ZBRLAZPXBWLKEQ-UHFFFAOYSA-N
rxn:4:204142:224949,COc1ccc(-c2ccc(CN3CCOC(C)C3)c(N3CCOCC3)c2)cc1CN1CCCC1,FCHXEBSNWGVEFP-UHFFFAOYSA-N
rxn:4:204167:223748,CC1CCCN(Cc2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2N2CCOCC2)C1,WZMNWOAKEJVLKG-UHFFFAOYSA-N
rxn:4:204168:225926,CC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2N2CCOCC2)CC1,BSAYHQVFRIJIJV-UHFFFAOYSA-N
rxn:4:204179:223994,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)cc3C)CC2)cc1C,MWTJIQVZVHKJOW-UHFFFAOYSA-N
rxn:4:204183:223001,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(C4CCCNC4)ccc3F)CC2)c(C)c1,SNNMKDHRXRRBEU-UHFFFAOYSA-N
rxn:4:204352:223539,CCOC(=O)c1nn2c(c1-c1ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)OCCC2,FFFIRBAWCUIXEH-UHFFFAOYSA-N
rxn:4:204355:223491,CCOC(=O)c1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)n2c1COCC2,WNUUTGLARPPXOI-UHFFFAOYSA-N
rxn:4:204355:224010,CCOC(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)n2c1COCC2,QGWRAFFTLSFNTO-UHFFFAOYSA-N
rxn:4:204471:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(Cl)cc4c3cnn4C(=O)OC(C)(C)C)cc12,BUJPWPIKLYWFIS-UHFFFAOYSA-N
rxn:4:204471:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(Cl)cc4c3cnn4C(=O)OC(C)(C)C)c2F)C1,LBOGFUXYZJRBOH-UHFFFAOYSA-N
rxn:4:204491:224015,Cc1cc(F)c(-c2c(C(=O)OC(C)(C)C)nc3n2CCC3)cc1S(=O)(=O)N1CCOCC1,GOGBRPFPHIVDCT-UHFFFAOYSA-N
rxn:4:204556:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCO2,HUXZNCIWXBGLOI-UHFFFAOYSA-N
rxn:4:204556:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,YMVHPXVDWJCYSG-UHFFFAOYSA-N
rxn:4:204556:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)C1,XBBWOUUBPCKLPE-UHFFFAOYSA-N
rxn:4:204606:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,QKVUDMYTNOQXIU-UHFFFAOYSA-N
rxn:4:204680:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2,XPRCKKFLMSUDFG-UHFFFAOYSA-N
rxn:4:204695:228484,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2ccc([N+](=O)[O-])c(F)c2)c1,HHPCAKRRCNOLJS-UHFFFAOYSA-N
rxn:4:204764:222420,NS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,FBULNNUKXPTRDQ-UHFFFAOYSA-N
rxn:4:204768:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)cc12,OXDCDHKCKMGUGT-UHFFFAOYSA-N
rxn:4:204780:223667,O=S(=O)(c1ccc(-c2ccc(OC(F)(F)F)cc2OCc2ccccc2)cc1)N1CC(N2CC3CCCC3C2)C1,TUDYZNUEQZILKE-UHFFFAOYSA-N
rxn:4:204872:224356,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cc6sc(Cl)cc6n5C(=O)OC(C)(C)C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,GSWGZFCQEYQGBQ-UHFFFAOYSA-N
rxn:4:205186:223606,COc1ncnc(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,IKAYECYCXXEWSL-UHFFFAOYSA-N
rxn:4:205824:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)cc2C1,CTJPPQNTWNHAMK-UHFFFAOYSA-N
rxn:4:206208:223985,COc1ccc(-c2cnn(C3CCCC3)c2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1,AAYNFTGNEJMDTJ-UHFFFAOYSA-N
rxn:4:206412:222389,N#Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1N1CCOCC1,GPALBJYXXOIZFV-UHFFFAOYSA-N
rxn:4:206518:223493,Cc1cccc(C(=O)c2c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cnn2C)c1,SHZQPVXSBQQSIB-UHFFFAOYSA-N
rxn:4:206524:222465,O=S(=O)(c1cncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1)N1CCOCC1,WDONKMSZUJCNCR-UHFFFAOYSA-N
rxn:4:206897:223844,CC(C)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cn1C1CCCOC1,HPYZAHZGJHTPIL-UHFFFAOYSA-N
rxn:4:206991:223932,CN(C)C=C1C(=O)N(c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2)CS1(=O)=O,AKEVAKCVHLOHFR-UHFFFAOYSA-N
rxn:4:207054:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C)c(F)c(CN4CCN(C)CC4)c3)c(F)c2)CC1,ZMMKNDFACWZYHY-HZCBDIJESA-N
rxn:4:207067:223993,Cc1cc(-c2nc(C3CCOCC3)cc(C(C)(C)C)n2)ccc1S(=O)(=O)N1CCN(C)CC1,GRLPXKBEJYYILV-UHFFFAOYSA-N
rxn:4:207085:225188,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cl)c(CN2CCOCC2)c1,JJAJZUHWHZURDG-UHFFFAOYSA-N
rxn:4:207086:224406,Cc1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,UJEQNANOUCVTLO-UHFFFAOYSA-N
rxn:4:207760:226549,CCOc1c(Cl)cc(-c2ccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(F)c2)cc1OC,KFEJRPXIRUOMGZ-UHFFFAOYSA-N
rxn:4:207843:222584,CCN1CCN(C2CCCc3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc32)CC1,BFQHMQQKJRXEGI-UHFFFAOYSA-N
rxn:4:207854:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,SBIRYJMBYLGDKP-UHFFFAOYSA-N
rxn:4:209522:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CC(=O)CCO4)nn3)cn2)CC1,SNJKAHAHEIYLBF-UHFFFAOYSA-N
rxn:4:209813:223823,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCCCC1=O,QIMAPDXIQFSXGL-UHFFFAOYSA-N
rxn:4:211024:223499,Cc1nn(C2CCCCO2)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc12,XQNPBYKBFJWQSH-UHFFFAOYSA-N
rxn:4:211068:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCC1=C(C#N)S2(=O)=O,SZLXIHBGARMJDL-UHFFFAOYSA-N
rxn:4:211100:226229,COCCCOc1cccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)c1,CAEGVHMEOCKSBS-UHFFFAOYSA-N
rxn:4:212482:223574,CN1C(=O)COc2c1cnc1cc(F)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,NXGSZLVSIUNTMA-UHFFFAOYSA-N
rxn:4:212508:224155,CN1CCN(c2cc(-c3nc(C#N)cn3COCC[Si](C)(C)C)cc(C3CC3)c2)CC1,UFTOSFPMUHWZAX-UHFFFAOYSA-N
rxn:4:212571:223635,Cn1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,OVEGBAUQHZGUBH-UHFFFAOYSA-N
rxn:4:212593:223941,CN(C(=O)c1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)nc1)C1CN(C(=O)OC(C)(C)C)C1,HMHBEEGAJNNJKE-UHFFFAOYSA-N
rxn:4:212605:224081,Cn1cc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,MOQRSVDPARGNMV-UHFFFAOYSA-N
rxn:4:212619:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc(OCC4CCCN(C(=O)OC(C)(C)C)C4)nc3)c(F)cn2)CC1,UXANLXVEZWTFNM-UHFFFAOYSA-N
rxn:4:212652:223498,COC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,GLVPVAWEFOOAAE-UHFFFAOYSA-N
rxn:4:212652:225233,COC(=O)c1cc(-c2cnc(Cl)c(N3CCCC(C)C3)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JKIBKGUBEZNDCW-UHFFFAOYSA-N
rxn:4:212653:227751,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(F)(F)F)c(Cl)c2)n1,MMYLEWUCPFRKFR-UHFFFAOYSA-N
rxn:4:212691:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,NQDYNRJIWBEHPT-UHFFFAOYSA-N
rxn:4:212693:223668,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)c1,UTFFPQPXPMZWDB-UHFFFAOYSA-N
rxn:4:212696:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)CC1,STBMTVSEPSWJSD-UHFFFAOYSA-N
rxn:4:212704:223904,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)n1,QZGBJDKXKQCNNR-UHFFFAOYSA-N
rxn:4:212722:223480,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)C(=O)N2CCN(C)CC2)cc1,MRULAWAFSUFXAE-UHFFFAOYSA-N
rxn:4:212737:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,DGSQWLZVHSVMOU-UHFFFAOYSA-N
rxn:4:212743:228427,COc1ccc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c(F)c1Cl,SEKXBQUUSIJFIK-UHFFFAOYSA-N
rxn:4:212747:222809,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)cc1N1CCOCC1,PTDRCJKKHFYBGR-UHFFFAOYSA-N
rxn:4:212747:224974,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1N1CCOCC1,LBEJMDSBRGOTFI-UHFFFAOYSA-N
rxn:4:212829:222426,CN(C(=O)c1cc2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,ZGNFYQWVUNYLFA-UHFFFAOYSA-N
rxn:4:212829:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1,WQXOMSJFAIQKJK-UHFFFAOYSA-N
rxn:4:212829:227300,CN(C(=O)c1cc2cc(-c3cncc(OC4CCC4)c3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,LZQHORXLNKQKRD-UHFFFAOYSA-N
rxn:4:212939:223880,Cc1ccc2c(c1)cc(-c1cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc1)n2C(=O)OC(C)(C)C,JMPPYOJQMBTRBX-UHFFFAOYSA-N
rxn:4:212944:222426,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,KMALLPCDZHZONI-UHFFFAOYSA-N
rxn:4:212944:227282,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C#N)cnc2C(C)C)CC1,HHSIEHBMEIJQPN-UHFFFAOYSA-N
rxn:4:212944:227666,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(C(C)=O)c(F)c2F)CC1,NKECIRXDGOBTFP-UHFFFAOYSA-N
rxn:4:212970:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OC2CN(C(=O)OC(C)(C)C)C2)nc1C,YCOFPKCWKHFNGH-UHFFFAOYSA-N
rxn:4:212970:225531,CCN(CC)Cc1cc(F)ccc1-c1cnc(OC2CN(C(=O)OC(C)(C)C)C2)nc1C,HOKKPRSEXBIWBO-UHFFFAOYSA-N
rxn:4:213031:224884,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cccc(CN4CCC(C)CC4)c3)cn2)C1,NNTPCTQBWLCBMB-UHFFFAOYSA-N
rxn:4:213041:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,GTTMIYRQPLPWEA-UHFFFAOYSA-N
rxn:4:213043:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1,HHDPUGHJJMQOBA-UHFFFAOYSA-N
rxn:4:213046:222947,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCCC(O)C2)nc1Cl,WWCXVDMCHHAXKL-UHFFFAOYSA-N
rxn:4:213046:223506,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,IRHUAQRWHUUIQE-UHFFFAOYSA-N
rxn:4:213046:223592,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,MREAEFRXPYOFIO-UHFFFAOYSA-N
rxn:4:213046:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(Cl)c1,RQEHBJLJGPJTDM-UHFFFAOYSA-N
rxn:4:213048:223998,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cn3)C2)cc1C,QXPSTMPTCHWNJE-UHFFFAOYSA-N
rxn:4:213070:224276,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,IWGQXJWUTMCKRY-UHFFFAOYSA-N
rxn:4:213073:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccnn1CC1CCN(C(=O)OC(C)(C)C)CC1,OABMNQYNEXEDGM-UHFFFAOYSA-N
rxn:4:213078:228473,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc([N+](=O)[O-])ccc3F)c2C(F)F)CC1,QOFKOMJEFYMUKO-UHFFFAOYSA-N
rxn:4:213079:225227,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2Cl)CC1,DVJZRGKYNOEWDP-UHFFFAOYSA-N
rxn:4:213079:226982,CCCCOc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1,OYNHTNAPPLHGNZ-UHFFFAOYSA-N
rxn:4:213088:224380,Cc1nccn1-c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)cc1C(F)(F)F,BLKUTJRGALIKIV-UHFFFAOYSA-N
rxn:4:213092:222892,COc1cc(N2CCNCC2)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N,ZJUSDPVTVFWAEA-UHFFFAOYSA-N
rxn:4:213109:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5)CC4)nc3)cc2C1,UMKMGNHBOHQYTD-UHFFFAOYSA-N
rxn:4:213126:226716,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)nc2)CC1,IYAMXAUIQQOPDQ-UHFFFAOYSA-N
rxn:4:213129:228210,COc1nc(-c2ccc(N3CCCC3)s2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,AFCKVDWVOUJFEE-UHFFFAOYSA-N
rxn:4:213130:224371,COC(=O)C1CCN(c2ncc(-c3cncc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,UZIIACJRSZXFBE-UHFFFAOYSA-N
rxn:4:213138:225758,CC(C)(C)OC(=O)c1cnccc1-c1cnc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,VKINOIBXDMKSSO-UHFFFAOYSA-N
rxn:4:213138:226590,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OC4CCOC4)nc3)cnc2F)CC1,FOXVUWZWITYKAZ-UHFFFAOYSA-N
rxn:4:213139:228123,CCOc1cncc(C)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,CDMZULCNVGHUFQ-UHFFFAOYSA-N
rxn:4:213141:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])c1,NOPZZZQVAVPMKA-UHFFFAOYSA-N
rxn:4:213147:222623,CCC(C)c1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCNCC2)n1,CAEUBSCUYAVOKI-UHFFFAOYSA-N
rxn:4:213161:223671,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1,MWBQCWUSISICSL-UHFFFAOYSA-N
rxn:4:213192:228340,COc1nc(C2CC2)sc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCN(C(C)=O)CC2)n1,XECWAWRCSCCRGD-UHFFFAOYSA-N
rxn:4:213217:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnc(N2CCN(CC)CC2)c(C(=O)OC(C)(C)C)c1,GWIGTKIPVMIMOJ-UHFFFAOYSA-N
rxn:4:213220:227592,COc1cc(F)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)c1OC,LZHAUJZALANBOX-UHFFFAOYSA-N
rxn:4:213226:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cc2[N+](=O)[O-])CC1,TYYWCFUDNJQHLX-MHZLTWQESA-N
rxn:4:213257:223106,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cnc(N2CCC(O)C2)nc1Cl,WUTGNDCRDQPDLR-UHFFFAOYSA-N
rxn:4:213282:223847,CCCCCC1CCC(c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)cc2)CC1,ADAZAUCFXUFBLK-UHFFFAOYSA-N
rxn:4:213354:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)c2)C1,VIRGGIWVPCXKOL-UHFFFAOYSA-N
rxn:4:213354:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c(C(F)(F)F)c1,OQDBENLKYSJRRZ-UHFFFAOYSA-N
rxn:4:213428:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)CC1,NSNABMVYKMZZTP-XIFFEERXSA-N
rxn:4:213458:226835,COc1ccc(-c2cc(C(F)(F)F)nn2C(C)C)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,VNKOGASOLJCYCW-JCYYIGJDSA-N
rxn:4:213474:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)c(C(F)(F)F)c1,PIHBDBIEIJMLLP-YTTGMZPUSA-N
rxn:4:213476:228263,CC(F)(F)c1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1,YWUVNKMQNRAJDI-PUWKHJQCSA-N
rxn:4:213642:223530,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)nn1,CAXAPRUWFAUFNP-UHFFFAOYSA-N
rxn:4:213657:225899,Cc1cc(-c2cnn([C@H]3CON(C(=O)OC(C)(C)C)C3)c2)n(C(=O)OC(C)(C)C)n1,BCAKTMJGQRAWIW-OAHLLOKOSA-N
rxn:4:213713:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH]1,RBVNKDULRNNMFQ-NRFANRHFSA-N
rxn:4:213716:225297,CC(C)OC(=O)N1CCC(n2cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)CC1,DPSMOUZRDKXXPD-UHFFFAOYSA-N
rxn:4:213758:225368,CS(=O)(=O)N1CCCCC1CCc1cnc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cn1,ZBEFEQQJPHKLBE-UHFFFAOYSA-N
rxn:4:213766:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)ccc2F)CC1,ATWAZPZBEJZMQW-UHFFFAOYSA-N
rxn:4:213766:224268,CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)co2)CC1,FNPXDZLRWIAXGL-UHFFFAOYSA-N
rxn:4:213766:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2coc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1,CGWLRQZLDFCAES-UHFFFAOYSA-N
rxn:4:213767:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1,RQNVZAJPYKWMCC-UHFFFAOYSA-N
rxn:4:213767:225181,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(CN4CCOCC4)c3F)o2)CC1,PKAMZDJIMTYZDB-UHFFFAOYSA-N
rxn:4:213793:223595,Cc1c(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,BYOTWYQDKBNKEC-UHFFFAOYSA-N
rxn:4:213805:224371,COC(=O)C1CCN(c2ncc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cn2)CC1,GBSUOXVWGDBOFN-UHFFFAOYSA-N
rxn:4:213833:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,LXSCKAVFTXXVBR-UHFFFAOYSA-N
rxn:4:213834:225828,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cnc(N4CCCCCC4)nc3)cn2)C1,GAEOXBSYQHLAIU-UHFFFAOYSA-N
rxn:4:213838:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1c[nH]nc1C1CCN(C(=O)OC(C)(C)C)CC1,OFAYFXJTGMDFQK-UHFFFAOYSA-N
rxn:4:213839:223529,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,MIVAJAQUIAPYAJ-UHFFFAOYSA-N
rxn:4:213839:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3nccn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,WCJPTHCGYNPKKC-UHFFFAOYSA-N
rxn:4:213839:223652,COc1ccc(Cl)c2cc(-c3nccn3C3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,DJOYJTSEEXDJNV-UHFFFAOYSA-N
rxn:4:213874:223937,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)ccn2)CC1,OERBQGIECQSMFZ-UHFFFAOYSA-N
rxn:4:213879:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,YPKJRQNDEGKAOW-UHFFFAOYSA-N
rxn:4:213879:226715,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cnn(C(=O)OC(C)(C)C)c2)CC1,GPAHXZIMXZSJTA-UHFFFAOYSA-N
rxn:4:213882:225312,CN1CCCN(c2ncc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)cn2)CC1,YZQJISZKQYXINF-UHFFFAOYSA-N
rxn:4:213885:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)s2)CC1,KCCVBSAEKBJFES-UHFFFAOYSA-N
rxn:4:213888:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,QLZZOBJFFGKCQM-UHFFFAOYSA-N
rxn:4:213889:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)ccc2Cl)CC1,IMJUHQXRIPIIEM-UHFFFAOYSA-N
rxn:4:213889:224971,CN1CCN(Cc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)cc2)CC1,YEFZZNZRZSEXSO-UHFFFAOYSA-N
rxn:4:213889:226652,Cc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n(C2CCCCO2)n1,HSKOKDOIQDWRMM-UHFFFAOYSA-N
rxn:4:213890:226652,Cc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ncn2)n(C2CCCCO2)n1,OIFZPWINKJUHJV-UHFFFAOYSA-N
rxn:4:213892:223637,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,SCTGITAEEYGOMQ-UHFFFAOYSA-N
rxn:4:213894:223670,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,ASMWJKRUEDAVJY-UHFFFAOYSA-N
rxn:4:213894:224272,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cn2)CC1,MMFDUZRAPWSOGL-UHFFFAOYSA-N
rxn:4:213895:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(C4CCCCN4C(=O)OC(C)(C)C)nc3)cc12,SZQLVHOGXGUHRY-UHFFFAOYSA-N
rxn:4:213895:223652,COc1ccc(Cl)c2cc(-c3cnc(C4CCCCN4C(=O)OC(C)(C)C)nc3)n(C(=O)OC(C)(C)C)c12,AWUOWDVKFJPYLA-UHFFFAOYSA-N
rxn:4:213897:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,XPGBBLYOMGZVCF-UHFFFAOYSA-N
rxn:4:213900:222729,CCCc1cc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc(C2CCCNC2)n1,QDQOZCJDRHUVDO-UHFFFAOYSA-N
rxn:4:213900:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1,YGZGIYWTKZTDEN-UHFFFAOYSA-N
rxn:4:213905:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)cc2)CC1,PVOIPBBEWZCWFD-UHFFFAOYSA-N
rxn:4:213941:223683,Cc1c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,NUWLMBBDELSXJQ-UHFFFAOYSA-N
rxn:4:213942:225294,CCN1CCN(c2ncc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cn2)CC1,WOVHKCYJFISFHI-UHFFFAOYSA-N
rxn:4:213945:226421,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccc(Cl)cc2N2CCCC2)c1,FDIKQXMVONVROL-UHFFFAOYSA-N
rxn:4:213950:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(OC2CCN(S(=O)(=O)C3CCCCC3)C2)nc1,XSCFMLPNSJUGJQ-UHFFFAOYSA-N
rxn:4:213974:223638,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n2)CC1,NVHSAARPHOSPKT-UHFFFAOYSA-N
rxn:4:213975:223595,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)nc2)CC1,GYKXSZHLOJRKGC-UHFFFAOYSA-N
rxn:4:213975:224653,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)nc2)CC1,YKXRSOKATYSVOU-UHFFFAOYSA-N
rxn:4:213979:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)c1,OMGJQIDGPMKMRY-UHFFFAOYSA-N
rxn:4:213979:225451,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(SC3CCCCC3)cc2)nn1,VHXYCYIYFGULPS-UHFFFAOYSA-N
rxn:4:213981:223646,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)n1,VXZPCSKAVSRUKK-UHFFFAOYSA-N
rxn:4:213990:223227,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(C)NC2CC2)s1,LEMUWUOONSMNKT-UHFFFAOYSA-N
rxn:4:213996:223671,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,OPVPFSRDRSLIMP-UHFFFAOYSA-N
rxn:4:213999:223022,COCCNC(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,OROOEBKAEWNKPE-UHFFFAOYSA-N
rxn:4:214009:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC)c(C=Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)cc2C)CC1,VMGDHTGRZSHQTQ-UHFFFAOYSA-N
rxn:4:214033:223095,CC(=O)Nc1cccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1[N+](=O)[O-],KIDHLCXHZSSARO-FGZHOGPDSA-N
rxn:4:214042:226333,O=C(c1cccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c1)N1CCC1,DMNWPFXYFCZFNM-UHFFFAOYSA-N
rxn:4:214047:226511,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cc(Cl)cnc1OCC1CC1,VNJRFRBXFBZXGI-UHFFFAOYSA-N
rxn:4:214048:222729,CCCc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)cc(C2CCCNC2)n1,DGJCARIXTRNGQH-UHFFFAOYSA-N
rxn:4:214048:223650,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,VLXKEKWMZWXMSP-UHFFFAOYSA-N
rxn:4:214065:223542,Cc1nn(C(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,KSWFHNDCWKESDU-UHFFFAOYSA-N
rxn:4:214065:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1,HNMDPMHZLPSIKX-UHFFFAOYSA-N
rxn:4:214105:223696,CCCCn1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c2cc([N+](=O)[O-])ccc21,LKLLMNHVBDMPFW-UHFFFAOYSA-N
rxn:4:214122:223696,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cnn2c1C(C)C,KJKBZIDJTDHAGW-UHFFFAOYSA-N
rxn:4:214147:223107,COc1ncc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1NS(C)(=O)=O,QUFFOSYWFJLUBY-UHFFFAOYSA-N
rxn:4:214180:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)c2)CC1,OLHQEHVOCLPHRX-UHFFFAOYSA-N
rxn:4:214180:224081,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccccc4CCO[Si](C)(C)C(C)(C)C)cn3n2)C1,OJQULFLXQFUJQP-UHFFFAOYSA-N
rxn:4:214180:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)cnc1Cl,CQINJCYQOZQGEG-UHFFFAOYSA-N
rxn:4:214185:227799,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C(F)(F)F)c(F)c3)c2C1,KRKJQQHZNYMYBO-UHFFFAOYSA-N
rxn:4:214231:223106,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCC(O)C5)nc4Cl)cccc3n2)C1,GGHUXONJELPIFE-UHFFFAOYSA-N
rxn:4:214275:223536,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,XUISWGBSKDLUSQ-UHFFFAOYSA-N
rxn:4:214276:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc4[nH]c(C5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)c2)CC1,QJMXPFRPDOWWAA-UHFFFAOYSA-N
rxn:4:214276:224720,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)cnc3[nH]2)CC1,HUWNQQJYHDCFAG-UHFFFAOYSA-N
rxn:4:214276:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1C,OQUSDXKVILOVAR-UHFFFAOYSA-N
rxn:4:214304:227348,COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(C)c1OC,KYLHYPMJYTVJHA-UHFFFAOYSA-N
rxn:4:214304:228868,COC(=O)c1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)s1,CWBSDPYFOBYJMH-UHFFFAOYSA-N
rxn:4:214304:228897,COc1ncc(F)cc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,GBPRMLIHNVPTBJ-UHFFFAOYSA-N
rxn:4:214320:223818,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)cc32)CC1,XKZNJIYXXPKDOO-UHFFFAOYSA-N
rxn:4:214321:226655,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4cc(Cl)cnc4N4CCCC4)ccc32)CC1,NGNGJYAIFSNPTR-UHFFFAOYSA-N
rxn:4:214328:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2)CC1,RIFYWSXFMAIRHW-UHFFFAOYSA-N
rxn:4:214328:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2)C1,FDOJMDMTUJGJSS-UHFFFAOYSA-N
rxn:4:214672:224746,COC1CCN(C(=O)c2c(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cnn2C)CC1,GJFWEDYEGUDPAX-UHFFFAOYSA-N
rxn:4:214710:223505,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,IBKXSJINHJUONZ-UHFFFAOYSA-N
rxn:4:214866:222537,O=C(C1CCCN(c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cn2)C1)N1CCOCC1,BHCPIFAXFQHEDG-UHFFFAOYSA-N
rxn:4:214889:225717,COCCOCc1ccc(F)cc1-c1ccc(CN2CCN(C)CC2)c(N2CCCC2)c1,YJEDRNKGLOYNIX-UHFFFAOYSA-N
rxn:4:214891:224977,N#Cc1cc(-c2cccc(-c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)c2)ccc1N1CCCCC1,JDDDURFKWDDIDW-UHFFFAOYSA-N
rxn:4:215019:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccnc4cnn(C(=O)OC(C)(C)C)c34)c2)CC1,TZXNLXPUWAYCHL-UHFFFAOYSA-N
rxn:4:215027:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cc12,OQTPZAUJYAEFLP-UHFFFAOYSA-N
rxn:4:215027:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cc21,UFVVFWCGVNQBAD-UHFFFAOYSA-N
rxn:4:215056:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(CSC2=NN3CCCC(=O)N=C3S2)cc1,CBNHCZGOZDIXIA-UHFFFAOYSA-N
rxn:4:215063:225361,CC(C)(C)OC(=O)N1CCn2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)nc2C1,JQMHXMVWPBESBG-UHFFFAOYSA-N
rxn:4:215096:222813,CC1c2cnc(-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)n2CCN1C(=O)OC(C)(C)C,OZJBKRPDIYFQIX-UHFFFAOYSA-N
rxn:4:215099:224690,C[C@@H]1Cn2ncc(-c3ccc(CN4CCC(=O)CC4)cc3F)c2CN1C(=O)OC(C)(C)C,BKICHGRYVWXKRL-MRXNPFEDSA-N
rxn:4:215100:222948,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)n2CC1,IZLGAOWGQMKIKY-UHFFFAOYSA-N
rxn:4:215101:225047,Cc1cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cnc1N1CCC(C)CC1,BHFPSEXTSMRYHJ-UHFFFAOYSA-N
rxn:4:215103:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cn2c(n1)CN(C(=O)OC(C)(C)C)CCC2,BNWHVBCTGSDGKA-UHFFFAOYSA-N
rxn:4:215143:223997,Cc1cc(-c2ccccc2S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc(C)c1S(=O)(=O)N1CCOCC1,MLUBUERITPSVNC-UHFFFAOYSA-N
rxn:4:215146:225227,CC1CCN(c2ncc(-c3cc(-n4nc(C(F)(F)F)c5c4CC(C)(C)CC5=O)ccc3C#N)cc2Cl)CC1,RCYTZDIIZYTKAH-UHFFFAOYSA-N
rxn:4:215197:224818,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1)N1CCSCC1,VKUCZADRKZYCRL-UHFFFAOYSA-N
rxn:4:215214:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,QJUNZAKIHWFINM-UHFFFAOYSA-N
rxn:4:215608:223482,CCn1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C(C)C,OSXLFZAVKWFGPA-UHFFFAOYSA-N
rxn:4:215725:223659,COc1nc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1C1CCCCO1,COHIHURIWCWZPY-UHFFFAOYSA-N
rxn:4:215785:223671,COc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nnn1C1CCCCC1,OOPDYXNIQXAUNQ-UHFFFAOYSA-N
rxn:4:215897:222702,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cc(C2CCCNC2)ccc1C(F)(F)F,HJTXOKWNXODQNG-UHFFFAOYSA-N
rxn:4:215897:223844,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,UYYPXUJQZVHZPH-UHFFFAOYSA-N
rxn:4:215900:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1,KYELHXDFXOMGQX-UHFFFAOYSA-N
rxn:4:215900:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2)C1,IWMSYVPOXOWSOX-UHFFFAOYSA-N
rxn:4:215912:223696,CS(=O)(=O)N1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2Cl)CC1,PUZFFCIFDOCMEG-UHFFFAOYSA-N
rxn:4:215981:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1nc(N2CCCCC2)cc(C(C)(C)C)n1,LFRIUEHLZLZQLQ-UHFFFAOYSA-N
rxn:4:215986:224376,CC1CCN(c2cc(C(C)(C)C)nc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)CC1,VIXPGUYSRSQHSH-UHFFFAOYSA-N
rxn:4:215986:224817,CC1CCN(c2cc(C(C)(C)C)nc(-c3ccccc3S(=O)(=O)N3CCOCC3)n2)CC1,WRGIZKCBPSZRCT-UHFFFAOYSA-N
rxn:4:216089:223659,COC(=O)C1CCn2c(nnc2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,FGFPWQVSCZCKDZ-UHFFFAOYSA-N
rxn:4:216162:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(C(C)(C)C)nn4c(Cl)cc(C(F)(F)F)nc34)c(F)cc2C)CC1,GKZDPUFYDWDVCL-UHFFFAOYSA-N
rxn:4:216162:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3c(C(C)(C)C)nn4c(Cl)cc(C(F)(F)F)nc34)cc2)CC1,IKAMLSZGULTUEG-UHFFFAOYSA-N
rxn:4:216252:224690,CC(=O)N1CCc2c(c(-c3ccc(CN4CCC(=O)CC4)cc3F)nn2C2CCOCC2)C1,QGGFOVSSJXCNQI-UHFFFAOYSA-N
rxn:4:216252:225619,CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3OC3CCCC3)nn2C2CCOCC2)C1,JSFHNLYJPAWBFX-UHFFFAOYSA-N
rxn:4:216252:226716,CC(=O)N1CCc2c(c(-c3ccn(C(=O)OC(C)(C)C)n3)nn2C2CCOCC2)C1,PEUHYHWYDMYYFZ-UHFFFAOYSA-N
rxn:4:217087:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(Cl)nc2N2CCOCC2)CC1,GNUJTSZYJSTHLY-UHFFFAOYSA-N
rxn:4:217181:223506,Cc1cc(N2CCCCC2)nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,KGPCJFYIQPKRIZ-UHFFFAOYSA-N
rxn:4:217894:223843,CCN(CC)S(=O)(=O)c1ccc(-c2c(C)nn3c(C(F)(F)F)c4c(nc23)CCC4)c(C(F)(F)F)c1,HXSJUTHUFIUHHM-UHFFFAOYSA-N
rxn:4:218652:226241,COC(=O)CCc1cccc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,GJYAZHCISQGUTC-UHFFFAOYSA-N
rxn:4:218655:223593,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,VMXLIXRGQCJNNN-UHFFFAOYSA-N
rxn:4:218684:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)c(C)c1,VJTBXZGFNZVOMZ-UHFFFAOYSA-N
rxn:4:218695:223697,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)c3C)CC2)cc1,WPZQEDNJKYTHPX-UHFFFAOYSA-N
rxn:4:218699:226096,CC(C)CCOc1cccc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)c1,SKUUTAODLVPLPJ-UHFFFAOYSA-N
rxn:4:218706:227051,CCC(=O)c1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)c(C)c1,PSUNJGWCEUFRDK-UHFFFAOYSA-N
rxn:4:218711:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc([N+](=O)[O-])ccc3N3CCC(N4CCN(C(=O)OC(C)(C)C)CC4)CC3)c2)CC1,LYNFJCUJIFNGRW-UHFFFAOYSA-N
rxn:4:218750:223635,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)no2)c1=O,LKRRRDMRNQWBQR-UHFFFAOYSA-N
rxn:4:218755:224371,COC(=O)C1CCN(c2ncc(-c3cc4c(s3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n4CC#N)cn2)CC1,SQBGGHYTIVSRMF-UHFFFAOYSA-N
rxn:4:218772:229185,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(F)nc(F)c4)ccc32)CC1)N1CCOCC1,AWXDPUIOXZLWIS-UHFFFAOYSA-N
rxn:4:218778:222791,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cc(Cl)cc32)cc(C)c1F,XYFGBHVKBJPNJE-UHFFFAOYSA-N
rxn:4:218778:223499,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc(Cl)cc32)cc(C)c1F,DTMHAIOBSXELHU-UHFFFAOYSA-N
rxn:4:218778:223790,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc(Cl)cc32)cc(C)c1F,VLKWCDTYPSRYMF-UHFFFAOYSA-N
rxn:4:218945:224106,COc1ccccc1COc1cccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)c1,VNKIIVPFPBAWGL-UHFFFAOYSA-N
rxn:4:218948:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,KSECKYHUIPYMSK-UHFFFAOYSA-N
rxn:4:218948:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,CXDQRKFZCBSFSL-UHFFFAOYSA-N
rxn:4:218964:224754,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccccc4S(=O)(=O)N4CCCCC4)cn3)C2)CC1,ODDYHBKXISERMA-UHFFFAOYSA-N
rxn:4:218974:222629,Cc1cc(OCC2CCN(c3ncc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cc3C#N)CC2)ccn1,MBYACIRNPRMBAZ-UHFFFAOYSA-N
rxn:4:218992:226333,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(C(=O)N5CCC5)c4)cn3)C2)CC1,UTPMZHDIPLWEEF-UHFFFAOYSA-N
rxn:4:219012:226511,CN(c1ncc(-c2cc(Cl)cnc2OCC2CC2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,VGAFMLWRSYSZPC-UHFFFAOYSA-N
rxn:4:219012:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,NHPWZCKBVYLLMC-UHFFFAOYSA-N
rxn:4:219027:228117,CC(C)Oc1cncc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c1,OMEZVLLROGCSGA-UHFFFAOYSA-N
rxn:4:219033:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,IYXYYLZSSZJNBO-UHFFFAOYSA-N
rxn:4:219046:228683,CCCc1ncc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cn1,RJYHMHYRIREGTG-UHFFFAOYSA-N
rxn:4:219046:228717,Cc1nn(C2CC2)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,PYVCPGPYLJIAMS-UHFFFAOYSA-N
rxn:4:219047:223651,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,NXRWFMLCADYEGA-UHFFFAOYSA-N
rxn:4:219161:228200,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3ccnn3C3CCCC3)cnn12,CKMBJBIQAYCBHD-UHFFFAOYSA-N
rxn:4:219334:224278,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)s2)CC1,KWUQRPRJFCSBIE-UHFFFAOYSA-N
rxn:4:219370:223696,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)n2)C1,ZMYMLHNWAYUZGF-UHFFFAOYSA-N
rxn:4:219370:224276,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)n2)C1,OLVIGWOBIONJQG-UHFFFAOYSA-N
rxn:4:219370:225684,Cc1nc(C2CCOCC2)ccc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,DJBFOWZEUWBZLZ-UHFFFAOYSA-N
rxn:4:219371:225191,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cnc(OC3CCCCC3)cc2F)CC1,GDIDCGYUCVJQMR-UHFFFAOYSA-N
rxn:4:219372:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nn[nH]c1C1CCN(C(=O)OC(C)(C)C)CC1,PLDWEUQVFIHKSR-UHFFFAOYSA-N
rxn:4:219372:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1nn[nH]c1C1CCN(C(=O)OC(C)(C)C)CC1,BXHXMAWXJJBBSQ-UHFFFAOYSA-N
rxn:4:219374:225092,CCCCOc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc(Cl)c1OC,ZCAHIYFHPHUVSE-UHFFFAOYSA-N
rxn:4:219381:226835,CSc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,RNXFLPZEULCMIQ-UHFFFAOYSA-N
rxn:4:219453:223847,CCCCCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,YWYVVAOZMQAKAJ-UHFFFAOYSA-N
rxn:4:219453:225880,CC(C)N1CCC(N2CC(Cn3cc(-c4cc(C5CCOCC5)ncc4F)cn3)C2)C1=O,STLWJOWVTWCTCY-UHFFFAOYSA-N
rxn:4:219453:226658,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(N5CCCC5)nc4F)cn3)C2)C1=O,XXSQRNMTRDRVJE-UHFFFAOYSA-N
rxn:4:219455:225952,Cc1nc(N2CCOCC2)ncc1-c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,KYWJDXJJZIWBKO-UHFFFAOYSA-N
rxn:4:219456:227119,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cc(C3CCCCC3)cs2)n1,JUTLTFPMRPKSOL-UHFFFAOYSA-N
rxn:4:219457:223170,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cnc(C3CCCNC3)nc2)nn1,XTDBINGADKKGAI-UHFFFAOYSA-N
rxn:4:219498:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3OC)c2)cc1,JFAKIKLKOWPCRD-UHFFFAOYSA-N
rxn:4:219498:223036,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(NC(=O)C(C)(C)C)nc1,AVJSENAMJLRQQQ-UHFFFAOYSA-N
rxn:4:219531:226835,CSc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,JUMNBTDNMYKKHU-UHFFFAOYSA-N
rxn:4:219533:223654,CSc1ncc(-c2cc3cccnc3n2S(=O)(=O)c2ccc(C)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,NKGRMGDISHZGOF-UHFFFAOYSA-N
rxn:4:219533:228653,CSc1ncc(-c2cnn3c2CCCC3)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,CLFOTCSCIHQCCW-UHFFFAOYSA-N
rxn:4:219539:223531,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,BVIOLNDKEFPPDX-UHFFFAOYSA-N
rxn:4:219543:224396,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)n1,IOMLVJKUZKPAJY-UHFFFAOYSA-N
rxn:4:219565:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCN(c3nc(C)cc(C)c3C#N)CC2)cc1,KXRJBOQWQMIVIP-UHFFFAOYSA-N
rxn:4:219590:224397,CC=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)n2CC(C)=O)n(C)c1=O,JRBDGIIKCHOPNB-UHFFFAOYSA-N
rxn:4:219653:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,URGBQKRGLGUVQM-UHFFFAOYSA-N
rxn:4:219687:223505,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc32)CC1,PATQRDGDUXAGOZ-UHFFFAOYSA-N
rxn:4:219688:223581,COC(=O)c1cccc2cc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)CC5)nn4c3)n(C(=O)OC(C)(C)C)c12,OFPOTFWEVGEWIA-UHFFFAOYSA-N
rxn:4:219688:225947,CN1CCN(c2ncc(-c3ccc4nc(C5CCN(C(=O)OC(C)(C)C)CC5)nn4c3)cn2)CC1,GDSAUUIZWALKIP-UHFFFAOYSA-N
rxn:4:219689:222886,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(N5CCNCC5)cc4C#N)n3c2)CC1,YWJPCWNLGOQJTB-UHFFFAOYSA-N
rxn:4:219704:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1,REUOQCAVSBLDDM-UHFFFAOYSA-N
rxn:4:219704:223775,COc1ccc2c(c1)c(-c1ccc3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3c1)cn2C(=O)OC(C)(C)C,KGUCVNAZEXSYGZ-UHFFFAOYSA-N
rxn:4:219706:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)s2)CC1,KWVCBGCHLKMXOE-UHFFFAOYSA-N
rxn:4:219710:223588,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)c(C)c4)C3C2=O)c1,HFDCGXZPHDNDDT-UHFFFAOYSA-N
rxn:4:219717:224752,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C)cc4)CC3C2)n1,KQAZVCXDSRQDNR-UHFFFAOYSA-N
rxn:4:219762:226000,CC(=O)Oc1ccc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)cc1[N+](=O)[O-],SECLRYSDXTZQAK-UHFFFAOYSA-N
rxn:4:219878:225089,CCCCCOc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1F,LJKGUARLJCZHPG-UHFFFAOYSA-N
rxn:4:219904:224018,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cn2)CC1,WWXFJVGTHBJKNY-UHFFFAOYSA-N
rxn:4:219950:224754,CSc1ncc(-c2ccccc2S(=O)(=O)N2CCCCC2)c(N2CCN(C3CCC3)CC2)n1,BRARSHRSEOXVMB-UHFFFAOYSA-N
rxn:4:220039:224378,CC(C)(C)OC(=O)N1CCc2nnc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)n2C1,XXHPZIIDUUDHQM-UHFFFAOYSA-N
rxn:4:220040:222776,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(CN4CCC(O)CC4)cc3F)nc2C1,ZZLCUUZRCIEROQ-UHFFFAOYSA-N
rxn:4:220040:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1,VNODTPUICYMAML-UHFFFAOYSA-N
rxn:4:220069:225990,CCCCn1nc(C(F)(F)F)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,RUYLXPGBVKAFIP-UHFFFAOYSA-N
rxn:4:220154:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,CNISUFDQCPLPCM-UHFFFAOYSA-N
rxn:4:220161:223935,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cc6cccc(F)c6n5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)c1,QJHVTUYXYGVMJZ-UHFFFAOYSA-N
rxn:4:220164:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)cc1,PEXYZUWJLBDMHZ-UHFFFAOYSA-N
rxn:4:220422:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2)CC1,YGGQNRLEXNTVFD-UHFFFAOYSA-N
rxn:4:220428:223699,Cc1ccnc(N2CCN(c3cccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)c3)CC2)n1,JLISAPAHLBIQGW-UHFFFAOYSA-N
rxn:4:220461:223696,CC(C)C(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)nc2C1,VUTUUAWAISBLPW-UHFFFAOYSA-N
rxn:4:220464:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1nc2n(n1)CCN(C(=O)C1CCC1)C2,CMBPQEWUNWQIPH-UHFFFAOYSA-N
rxn:4:220537:222465,c1cc2nc(N3CCN(C4CCC4)CC3)ncc2cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,DDPNSANLUNJNPU-UHFFFAOYSA-N
rxn:4:220856:223482,O=S(=O)(c1cc(-c2cc(C(F)(F)F)c3nnnn3c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,DQOJRMCWHXCMRD-UHFFFAOYSA-N
rxn:4:220880:223660,Cn1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c2c(Cl)nc(C(F)(F)F)nc21,KVXQZUAAGJPJDU-UHFFFAOYSA-N
rxn:4:221112:222628,CCOc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,AUHNZBQGDQQZQG-UHFFFAOYSA-N
rxn:4:221112:222956,CCOc1ccc(-c2ccc(C)cc2C2CCCNC2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,UMQIOQMJTRROLZ-UHFFFAOYSA-N
rxn:4:221115:226792,CCOc1ccc(-c2cnc(N3CCOCC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,JULCXORIWBHUKN-UHFFFAOYSA-N
rxn:4:221177:223492,Cc1cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SEOVQNUMBVHZJU-UHFFFAOYSA-N
rxn:4:221177:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)cc2)CC1,XGPORYCVCZQTPU-UHFFFAOYSA-N
rxn:4:221186:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cc2)CC1,JFBHSSVMMZWPLJ-DUYHBEBVSA-N
rxn:4:221189:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)C4)nc3)cc2Cl)CC1,AFTMYZGEAKHZEF-UHFFFAOYSA-N
rxn:4:221191:224727,COC(=O)c1cc(-c2cnc(OCC3CCCN(c4cc(C)nc(C5CC5)n4)C3)nc2)cc(OC(C)(C)C)n1,VWQPIIBDTIPZOP-UHFFFAOYSA-N
rxn:4:221198:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cc2C1,XKBJFURUUVFASY-UHFFFAOYSA-N
rxn:4:221204:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)CC1,OUHSZKCDMNDMKD-UHFFFAOYSA-N
rxn:4:221205:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,RYHMZWNMQWAWTA-UHFFFAOYSA-N
rxn:4:221205:224009,COc1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,JOCGHNDFJHJQLV-UHFFFAOYSA-N
rxn:4:221208:222723,Cc1cc(N2CCN(CCc3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,NYRWJMAKWBZCKU-UHFFFAOYSA-N
rxn:4:221350:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC(c5nc(-c6ncccn6)no5)C4)cc3)c(F)c2)CC1,YIASSDWVENDLFS-UHFFFAOYSA-N
rxn:4:221351:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c(F)c2)CC1,KFPYJYQCQQKKOM-UHFFFAOYSA-N
rxn:4:221371:223999,COc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)CC2)n1,JZPZSAIPMYAWHK-UHFFFAOYSA-N
rxn:4:221394:222722,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)CC1,IKOSCHPXOOAPMY-UHFFFAOYSA-N
rxn:4:221412:224486,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cccc(C(=O)N(C(C)C)C(C)C)c4)cn3)CC2)n1,MPUGMRMCHIIZHX-UHFFFAOYSA-N
rxn:4:221425:225825,CN1CCN(c2ccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)cn2)CC1,RJLGSHWAMKHKBC-UHFFFAOYSA-N
rxn:4:221428:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,PKVZCXAYPNWJAB-UHFFFAOYSA-N
rxn:4:221442:223064,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(C4CCNCC4)nc3F)CC2)n1,XLELPGCJIPHRMD-UHFFFAOYSA-N
rxn:4:221442:224396,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)CC2)n1,KOXLWPALCHQXFS-UHFFFAOYSA-N
rxn:4:221447:225946,CC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,ZBQJDIVZLQFADH-UHFFFAOYSA-N
rxn:4:221642:228100,CCCn1nc(C)c(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)c1C,ARILFQQCQRENBP-UHFFFAOYSA-N
rxn:4:221642:228310,CCCc1nc(Cl)ncc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,NCAXSJGPWBLLBS-UHFFFAOYSA-N
rxn:4:221723:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cnc(N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)nc1,YMXMDCKZOFDRKP-UHFFFAOYSA-N
rxn:4:221723:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)ccc21,NOXHFZOTPTYDKT-UHFFFAOYSA-N
rxn:4:221888:223598,CN1CCN(c2nc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)nn2C)CC1,AVGFPBSBBGQPAT-UHFFFAOYSA-N
rxn:4:221919:222621,CCOc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,JVYBTGAIKMIRBX-UHFFFAOYSA-N
rxn:4:221961:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)cc2)CC1,KLYBTKHUJCLFIE-MCZWQBSQSA-N
rxn:4:221972:225294,CCN1CCN(c2ncc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)cn2)CC1,OIOTXJKGXIRPJU-UHFFFAOYSA-N
rxn:4:221978:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)cc2[N+](=O)[O-])CC1,RELLGSKNFAQRQQ-UHFFFAOYSA-N
rxn:4:221985:222517,Cn1cc(-c2nc3cnc(-c4ccc(F)c(C(=O)Nc5ccc(F)c(Cl)c5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,YJKISWLRXJVFMD-JOCHJYFZSA-N
rxn:4:222031:222717,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)c(S(=O)(=O)NC(C)(C)C)cc1F,PIXKLUZLQOKWLY-UHFFFAOYSA-N
rxn:4:222053:225901,CCc1cc(N2CCN(c3ncc(-c4cn(C(=O)OC(C)(C)C)nc4C)cn3)CC2)nc(C(C)(C)C)n1,LBXAWVDFVOOELR-UHFFFAOYSA-N
rxn:4:222124:222769,O=C(NC1CCCC1)c1ccc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)cc1F,VQVAHANUKQSZFJ-UHFFFAOYSA-N
rxn:4:222153:224319,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)CC2)n1,VRRFHGBRWSWBHZ-UHFFFAOYSA-N
rxn:4:222155:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,TYISOOPRYNMVJX-UHFFFAOYSA-N
rxn:4:222168:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)ccc21,ZGFIYKOMDBWNLG-UHFFFAOYSA-N
rxn:4:222168:224714,CCCCOc1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1C(F)(F)F,CNQGBCUCYAQCON-UHFFFAOYSA-N
rxn:4:222170:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc(C)c5F)CC4)nc3)cc2)CC1,YLNYYBUFLHXFJB-UHFFFAOYSA-N
rxn:4:222170:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnc(N2CCN(c3nc(C(C)(C)C)nc(C)c3F)CC2)nc1,YBZSXDYKJULRKK-UHFFFAOYSA-N
rxn:4:222337:224391,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cn3)CC2)n1,XLKICRFFQPNVLZ-UHFFFAOYSA-N
rxn:4:222389:215969,Clc1cnc(N2CCN(C3CCC3)CC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,RYITXKSDJJQJOH-UHFFFAOYSA-N
rxn:4:222393:185337,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccccc2S(=O)(=O)N2CCCC2CS(=O)(=O)c2ccccc2)c1,ORRMGAVHNCFANX-PECFQXNXSA-N
rxn:4:222722:198013,CC(=O)C1=C2CCCN2c2cc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)ccc2S1(=O)=O,WIASZZCPORXNJZ-UHFFFAOYSA-N
rxn:4:222732:189212,O=C(NC1CCCCC1)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2Cl)cc1,RRQCGMWWJCTQOV-UHFFFAOYSA-N
rxn:4:222741:185511,COC(=O)c1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,MQCOGOJDNLOEPV-UHFFFAOYSA-N
rxn:5:176860:226464:225832,COC(=O)c1c(-c2c(OC)ccc3c2OCCO3)ccc(OC)c1-c1c(C)nn(C2CCCCO2)c1C,KUWOKTFGJUDSLZ-UHFFFAOYSA-N
rxn:5:176872:225514:226029,CCOc1c(F)c(F)c(-c2cc(C(=O)OC)cc(OC)c2-c2cccc3c2OCC2(CC2)CO3)c(F)c1F,JHMQQDRZERIGRB-UHFFFAOYSA-N
rxn:5:177850:223007:223064,CCOc1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)nc1F,GHXPDHGJFJNMAD-UHFFFAOYSA-N
rxn:5:177851:223202:225456,CCOc1c(-c2ccc(C3CCN(C)CC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2(O)CCC2)cc1,LGDDPLISYQBGFO-UHFFFAOYSA-N
rxn:5:177851:226212:225617,CCOc1c(-c2ccc(OC3CCCCO3)cc2)cc(C2OCCO2)cc1-c1ccc2c(c1)CCC2=NOC,OFLQGCHFPKRYNT-UHFFFAOYSA-N
rxn:5:177851:227091:222983,CCOc1c(-c2cccc(CN3CCC(O)C3)c2)cc(C2OCCO2)cc1-c1cncc(C2CCCC2)c1,OTNKGEGUGZSOCH-UHFFFAOYSA-N
rxn:5:177891:226900:227528,COC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc1F,RQMJYNKMUAZZLN-UHFFFAOYSA-N
rxn:5:177891:226901:228408,COc1cc(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1F,OYTIUZGTSZENGB-UHFFFAOYSA-N
rxn:5:177891:227092:223389,Cc1nc(C2CCC2)ccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1c(C)n[nH]c1C(F)(F)F,UQPOQECYHOXOFI-UHFFFAOYSA-N
rxn:5:177891:227662:226901,Cc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c(C(F)(F)F)c1,XILYDBPSFHRNEY-UHFFFAOYSA-N
rxn:5:177891:227746:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(C(F)(F)F)c1F,ABMAYXOYOYBIGU-UHFFFAOYSA-N
rxn:5:178117:226464:225394,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCOCC3)c1)OCCO2,SADFMKYNVALNKM-UHFFFAOYSA-N
rxn:5:178119:225936:227052,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1-c1ccc(SC(C)(C)C)cc1,LQSMSVHWSWFAFB-UHFFFAOYSA-N
rxn:5:178119:225937:227045,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(F)(F)F)ncc2C(C)C)c1-c1cccc(SC(C)(C)C)c1,HQNDSPCUNJEOFV-UHFFFAOYSA-N
rxn:5:178119:226031:227045,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2C(F)F)c1-c1cccc(SC(C)(C)C)c1,ZAESKRSYLKQXCH-UHFFFAOYSA-N
rxn:5:178119:226031:227052,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2C(F)F)c1-c1ccc(SC(C)(C)C)cc1,VHUTYGQXSSBZKP-UHFFFAOYSA-N
rxn:5:178119:226032:227052,COc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc(SC(C)(C)C)cc2)c(F)c(C(F)(F)F)c1,AQUXXKNLSDUEPZ-UHFFFAOYSA-N
rxn:5:178119:226036:227052,COc1c(F)cc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccc(SC(C)(C)C)cc1,ZCZHQBVXKSZTEL-UHFFFAOYSA-N
rxn:5:178119:226610:226188,CCc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2cc(C)c([Si](C)(C)C)cc2C)cc(C(F)(F)F)c1,VQGBRORHOTUMMI-UHFFFAOYSA-N
rxn:5:178119:226610:226761,CCc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C)c2-c2ccc(SC)cc2C(F)(F)F)cc(C(F)(F)F)c1,VDUDILYHMUHVAX-UHFFFAOYSA-N
rxn:5:178119:226611:226144,CCc1ccc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1ccc(C#C[Si](C)(C)C)cc1,JMRONAWCMVVYPE-UHFFFAOYSA-N
rxn:5:178119:226611:226188,CCc1ccc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)(C)C)cc(C)c1-c1cc(C)c([Si](C)(C)C)cc1C,LEPZSALKYMFSCX-UHFFFAOYSA-N
rxn:5:178120:225394:226464,COc1ccc2c(c1-c1c(OCC3CCOCC3)cccc1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,FPESDKQPPGFNTK-UHFFFAOYSA-N
rxn:5:178121:225394:226464,COc1ccc2c(c1-c1cccc(OCC3CCOCC3)c1-c1cc(C3CCC3)cc(C3CC3)c1)OCCO2,MBKGVRMBXKRZOU-UHFFFAOYSA-N
rxn:5:178121:225621:226026,Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(S(=O)(=O)N(C)C)c(F)c2)ccc1OC1CCOC1,XQKVXZAUTBRMSX-UHFFFAOYSA-N
rxn:5:178121:225794:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(OCC2CCOCC2)c1-c1cnc(OC2CCCCC2)nc1,FDNNWQYSQIPKIO-UHFFFAOYSA-N
rxn:5:178122:225394:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,QUVAELZJRSEUJN-UHFFFAOYSA-N
rxn:5:178122:225394:227055,COc1ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)cc1C1CC1,XLQSGPDGCYGFQX-UHFFFAOYSA-N
rxn:5:178122:227349:225462,COc1cc(C)cc(-c2ccc(COC3CCCCO3)c(-c3cccc(N4CCC(C)CC4)c3)c2)c1OC,UMQGSQSYANJMTM-UHFFFAOYSA-N
rxn:5:178225:225394:226946,CN1CCc2cc(-c3c(OCC4CCCCC4)cccc3-c3cc(C4CCC4)cc(C4CC4)c3)ccc2C1,WGUDUZKFFVXVFY-UHFFFAOYSA-N
rxn:5:178226:225394:226946,CN1CCc2cc(-c3cccc(OCC4CCCCC4)c3-c3cc(C4CCC4)cc(C4CC4)c3)ccc2C1,OSEBZRKLTVBNIH-UHFFFAOYSA-N
rxn:5:178313:226061:226058,CC(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2c(C(C)C)cccc2C(C)C)cc(C2CC2)c1,OTHMPWDWGFQSBT-UHFFFAOYSA-N
rxn:5:178314:226582:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1O[Si](C)(C)C(C)(C)C,ZDSGOXICWBKQDP-UHFFFAOYSA-N
rxn:5:178314:226582:226151,Cc1cc(OC(C)C)c(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2O[Si](C)(C)C(C)(C)C)cc1C,GONIBUAWDCNGSF-UHFFFAOYSA-N
rxn:5:178314:226582:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1O[Si](C)(C)C(C)(C)C,YITMCNBTSKCOML-UHFFFAOYSA-N
rxn:5:178315:226058:226061,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3c(C(C)C)cccc3C(C)C)c2)cc(C2CC2)c1,LJAMPWTYKZISGU-UHFFFAOYSA-N
rxn:5:178368:225394:227071,COCc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C5CCC5)cc(C5CC5)c4)cc3C)cc2C)c(C)c1,REMBLFDMOMVNCG-UHFFFAOYSA-N
rxn:5:178368:225395:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cc(C2CC2)cc(C(C)(C)C)c1,MMOBDMLICSXPJW-UHFFFAOYSA-N
rxn:5:178368:225821:227052,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(SC(C)(C)C)cc3)c(C)c2)c(C)cc1-c1ccc(C2CC2)c(C(F)(F)F)c1,JPULKSHZCDFACA-UHFFFAOYSA-N
rxn:5:178368:225821:227071,COCc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CC5)c(C(F)(F)F)c4)cc3C)cc2C)c(C)c1,MCZJXRFDQRDZIK-UHFFFAOYSA-N
rxn:5:178368:225822:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cccc(C(F)(F)F)c1C1CC1,SKYNRJLZSZWWEG-UHFFFAOYSA-N
rxn:5:178368:225824:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cc(C2CC2)cc(C(F)(F)F)c1,JYLDTELGYTUPOD-UHFFFAOYSA-N
rxn:5:178368:225824:227052,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(SC(C)(C)C)cc3)c(C)c2)c(C)cc1-c1cc(C2CC2)cc(C(F)(F)F)c1,LRQMQGYABYYSRO-UHFFFAOYSA-N
rxn:5:178368:225824:227071,COCc1cc(C)c(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C5CC5)cc(C(F)(F)F)c4)cc3C)cc2C)c(C)c1,NTUQNJJXDVTAMV-UHFFFAOYSA-N
rxn:5:178368:225927:227052,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(SC(C)(C)C)cc3)c(C)c2)c(C)cc1-c1cc(C(F)(F)F)ccc1N(C)C,RICBJSWLMALYPU-UHFFFAOYSA-N
rxn:5:178368:226061:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cc(C(C)C)cc(C2CC2)c1,XBPPNMGNEDCLTG-UHFFFAOYSA-N
rxn:5:178368:226064:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccc(C2CCCCC2)cc1,XAEQGJNKDVVEQB-UHFFFAOYSA-N
rxn:5:178368:226449:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1ccccc1C1(C)OCCO1,JAKUAGJDHNXBKH-UHFFFAOYSA-N
rxn:5:178368:226450:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cccc(C2(C)OCCO2)c1,ZOAPJEUEAVKYSF-UHFFFAOYSA-N
rxn:5:178368:226579:226188,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c(C)c2)c(C)cc1-c1cc(F)cc(C(=O)N(C)C)c1,RHGGMHPHDUDFGB-UHFFFAOYSA-N
rxn:5:178568:226464:225498,COc1ccc2c(c1-c1cc(Cc3ccc(C4CC4)cc3)c(-c3cc(C4CCCCC4)ccc3F)c3c1CCO3)OCCO2,MNJITTWHOGGLIG-UHFFFAOYSA-N
rxn:5:178568:226464:225499,COc1ccc2c(c1-c1cc(Cc3ccc(C4CC4)cc3)c(-c3ccc(C4CCCCC4)cc3F)c3c1CCO3)OCCO2,UCHZBSMMBGETKG-UHFFFAOYSA-N
rxn:5:178568:226464:225625,COc1ccc2c(c1-c1cc(Cc3ccc(C4CC4)cc3)c(-c3cc(OC4CCCC4)ccc3F)c3c1CCO3)OCCO2,UOBQSFYJEVMREL-UHFFFAOYSA-N
rxn:5:180021:225833:223142,COc1c(-c2ccc(C3CCCNC3)nc2)cc(C2OCCO2)cc1-c1ccnc(N2CCCCC2)c1F,MBYKPKAUNWTHME-UHFFFAOYSA-N
rxn:5:180022:223056:226172,COc1c(-c2cc(N3CCCC3)ccc2C)ccc(-c2ccc(N3CCC(O)CC3)nc2)c1C1OCCO1,GLWDKBUFUIZVTD-UHFFFAOYSA-N
rxn:5:180022:223146:222990,COc1c(-c2ccc(N3CCC(O)CC3)cc2)ccc(-c2cccc(C3CNCCO3)c2)c1C1OCCO1,LQTOOERSDOJVON-UHFFFAOYSA-N
rxn:5:180022:225470:222995,COc1c(-c2cccc(N3CCCC(O)C3)c2)ccc(-c2ccc(N3CCC(C)CC3)cc2)c1C1OCCO1,QFZVNEPIJUQDGE-UHFFFAOYSA-N
rxn:5:180022:225874:222991,COc1c(-c2ccc(N3CCCC(O)C3)cc2)ccc(-c2ccc(F)c(N3CCOCC3)c2)c1C1OCCO1,VGFFOCIPBNSRAH-UHFFFAOYSA-N
rxn:5:180297:225868:223002,COc1cc(-c2ccc(N3CCOCC3)c(F)c2)c(C2(C)OCCO2)cc1-c1ccc(C2CCNCC2)cc1F,BXTFGAYGEAWWKZ-UHFFFAOYSA-N
rxn:5:180297:226145:226734,COc1cc(-c2ccc(OC3CCCC3)cc2)c(C2(C)OCCO2)cc1-c1cccc(S(=O)(=O)N(C)C)c1,ARJHGFRKGZJOLD-UHFFFAOYSA-N
rxn:5:180297:227491:225930,COc1cc(-c2cnc(OC3CCC3)nc2)c(C2(C)OCCO2)cc1-c1cc(C)ccc1S(=O)(=O)N(C)C,VOLPPUCBHVDALD-UHFFFAOYSA-N
rxn:5:180297:227545:225671,CCOc1ccc(F)c(-c2cc(OC)c(-c3cc(C4CCCCC4)ncc3F)cc2C2(C)OCCO2)c1F,UNXNIOUHJQCJPZ-UHFFFAOYSA-N
rxn:5:180297:227715:225879,COc1cc(-c2cc(F)cc(OC(F)F)c2)c(C2(C)OCCO2)cc1-c1ccc(N2CCOCC2)cc1F,RXKOVMXZFVXXDH-UHFFFAOYSA-N
rxn:5:180506:228335:225632,COc1ccnc(OC)c1-c1cc(C(C)(C)C)cc(C2OCCO2)c1-c1cccc(N2CCN(C)CC2)c1,NCRAFKPJBXYFCY-UHFFFAOYSA-N
rxn:5:182839:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1-c1c(C)nn(C3CCCCO3)c1C)CCC2=O,AAUACPZXMBZDIR-UHFFFAOYSA-N
rxn:5:188446:226185:225926,COC(=O)c1cc(-c2ccc(C3CCOCC3)cc2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c([N+](=O)[O-])c1,YCVZIUOCOOCQTB-UHFFFAOYSA-N
rxn:5:188632:225832:226652,COC(=O)c1nc(OC)c(-c2c(C)nn(C3CCCCO3)c2C)cc1-c1cc(C)nn1C1CCCCO1,VMONAIKRLPEKOZ-UHFFFAOYSA-N
rxn:5:188633:227767:225832,CCn1cc(-c2cnc(OC)c(-c3c(C)nn(C4CCCCO4)c3C)c2C(=O)OC)c(C(F)(F)F)n1,MTIKXOGOVLXZHS-UHFFFAOYSA-N
rxn:5:189000:226059:225937,CC(C)Oc1cc(-c2ccc(C(C)C)cc2C(C)C)c(-c2cc(C(F)(F)F)ncc2C(C)C)cc1[N+](=O)[O-],BWFLTJMUMXGTBK-UHFFFAOYSA-N
rxn:5:189207:225407:228602,CC(=O)c1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,KNKSPPNQYDWETJ-UHFFFAOYSA-N
rxn:5:189207:225514:228407,COc1ccc(F)c(F)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C(=O)ON1C(=O)CCC1=O,NQCYZDQHUSVKHT-UHFFFAOYSA-N
rxn:5:189207:225584:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ARHHSSJNMNIQJJ-UHFFFAOYSA-N
rxn:5:189207:225871:228530,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc2c(c1)OCC2,MVLKAJAFMUBHER-UHFFFAOYSA-N
rxn:5:189207:225987:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccc(C2CCOCC2)c1,CIVKLNIVXPCOFN-UHFFFAOYSA-N
rxn:5:189207:226182:228866,COCc1noc(C)c1-c1ccc(-c2cccnc2C2CCCCC2)cc1C(=O)ON1C(=O)CCC1=O,KOLGABMPNKQBSU-UHFFFAOYSA-N
rxn:5:189207:226415:226084,O=C1CCCCc2ccc(-c3ccc(-c4ccccc4N4CCOCC4)cc3C(=O)ON3C(=O)CCC3=O)cc21,VVXHZVBZQNYAQW-UHFFFAOYSA-N
rxn:5:189207:226452:228343,COC(=O)c1sc(-c2ccc(-c3ccc(C4OCCCO4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1C,WFFJSWOLARBGDN-UHFFFAOYSA-N
rxn:5:189207:226464:228406,COc1ccc(F)c(-c2ccc(-c3c(OC)ccc4c3OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,HTXRFQBVUXRXOI-UHFFFAOYSA-N
rxn:5:189207:227095:226966,O=C1CC(c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)CCC5)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)C1,KCHYKUBVJPGMAL-UHFFFAOYSA-N
rxn:5:189207:227386:227523,COC(=O)c1cnc(C)cc1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,XZLKLCFTZNDABE-UHFFFAOYSA-N
rxn:5:189207:228066:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2ccc3c(c2)OCCO3)cc1C(=O)ON1C(=O)CCC1=O,KMVRYZPOCIIDHQ-UHFFFAOYSA-N
rxn:5:189207:228601:225871,CC(=O)c1ccccc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(C(=O)ON2C(=O)CCC2=O)c1,VTOJBFRMNHMOKG-UHFFFAOYSA-N
rxn:5:189207:228872:227103,COC(=O)c1sccc1-c1ccc(-c2sccc2C2CCCCC2)c(C(=O)ON2C(=O)CCC2=O)c1,WZSXPTQNOHDTKE-UHFFFAOYSA-N
rxn:5:189207:228895:225583,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1-c1cccc(C(=O)N2CCCC2)c1,SONXCWAWJHRGOU-UHFFFAOYSA-N
rxn:5:189208:225407:228871,COC(=O)c1ccsc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,RCTWWYOVJUDVHI-UHFFFAOYSA-N
rxn:5:189208:225583:229089,CC(=O)c1sccc1-c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,ZKEMAGINKRGHQH-UHFFFAOYSA-N
rxn:5:189208:225832:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C(=O)ON1C(=O)CCC1=O,HGNPCXSQHDBLBO-UHFFFAOYSA-N
rxn:5:189208:226084:228151,COC(=O)c1cccc(-c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2C(=O)ON2C(=O)CCC2=O)c1,UJBMNEBMTFEQCD-UHFFFAOYSA-N
rxn:5:189208:226186:228151,COC(=O)c1cccc(-c2cc(-c3ccccc3C3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)c1,WODHNLFJDBOJBA-UHFFFAOYSA-N
rxn:5:189208:226319:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)cc1-c1cccc2c1COC2=O,WGRACNAWGVKPRK-UHFFFAOYSA-N
rxn:5:189208:226413:228150,COC(=O)c1ccc(-c2cc(-c3cccc(N4CCOCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,FJLLQXVIPXWQDS-UHFFFAOYSA-N
rxn:5:189208:226686:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)cnn2C2CCCCO2)ccc1C(=O)ON1C(=O)CCC1=O,CHUCIYSOQLYJJT-UHFFFAOYSA-N
rxn:5:189208:228079:225451,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1ccc(SC2CCCCC2)cc1,OPUDWGGFBUDPIF-UHFFFAOYSA-N
rxn:5:189208:228079:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1ccc(C2CCOCC2)s1,IZIAYQKWZCWAKZ-UHFFFAOYSA-N
rxn:5:189208:228343:227125,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCOC3)c2)cc1C,PJSWFZGTLNYZOY-UHFFFAOYSA-N
rxn:5:189208:228870:225873,COC(=O)c1csc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4CCOCC4=O)c3)c2)c1,COBOWWHBEHCBBF-UHFFFAOYSA-N
rxn:5:189208:228894:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1-c1ccccc1C(=O)N1CCCC1,PVBGJTXBMZSHGZ-UHFFFAOYSA-N
rxn:5:189209:223425:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2ccccc2C=NO)c1,LNWNTWKILOTVIS-UHFFFAOYSA-N
rxn:5:189209:225620:228601,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(OC3CCOCC3)cc2)c1,ZVURDPUKTSITPX-UHFFFAOYSA-N
rxn:5:189209:226411:227528,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCOCC4)cc3)c2)cc1F,OSTLBSJDNTZCJP-UHFFFAOYSA-N
rxn:5:189210:225616:226319,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C(=O)N3CCC3)cc2)cccc1-c1ccccc1C(=O)N1CCCC1,GEAMOJMFDFLYNN-UHFFFAOYSA-N
rxn:5:189210:226413:228869,COC(=O)c1cc(-c2cccc(-c3cccc(N4CCOCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cs1,DZJGNXRLUCWHNX-UHFFFAOYSA-N
rxn:5:189210:226980:227680,O=C1CCCc2cccc(-c3cccc(-c4cccc5c4OC(F)(F)O5)c3C(=O)ON3C(=O)CCC3=O)c21,CEHJHOPLWBSWBN-UHFFFAOYSA-N
rxn:5:189210:228002:227507,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C=C[N+](=O)[O-])c2)cccc1-c1sccc1C1CCCC1,WWSDDJIPSIPYMM-UHFFFAOYSA-N
rxn:5:189210:228066:226758,COc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)c2C(=O)ON2C(=O)CCC2=O)cc1C(F)(F)F,BBGUIBJKJCKVIL-UHFFFAOYSA-N
rxn:5:189210:228079:226900,O=C1OCc2c1cccc2-c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1C(=O)ON1C(=O)CCC1=O,RVVXGKHZUKETIV-UHFFFAOYSA-N
rxn:5:189210:228149:226645,COC(=O)c1ccccc1-c1cccc(-c2ccnc(N3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,ZCQLSQPOUXQTHS-UHFFFAOYSA-N
rxn:5:189210:228416:226686,COc1cc(F)cc(F)c1-c1cccc(-c2c(C)cnn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,SFOMXKBOCKMKHF-UHFFFAOYSA-N
rxn:5:189211:223357:226415,CC(=O)Nc1ccccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccccc1N1CCOCC1,JFKQMFPSBXQDSJ-UHFFFAOYSA-N
rxn:5:189211:223439:226901,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1-c1cccc(S(F)(F)(F)(F)F)c1,ZIUSZRVJUIWLKL-UHFFFAOYSA-N
rxn:5:189211:225871:228174,CC(=O)Oc1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1,AAAXULOQDYUXOV-UHFFFAOYSA-N
rxn:5:189211:226899:223346,O=C1NCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21,MGADMEUXJIXDNL-UHFFFAOYSA-N
rxn:5:189211:227095:227501,O=C1CC(c2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3ccc(C=C[N+](=O)[O-])cc3)cc2)C1,PPPUIQKUAOGPFG-UHFFFAOYSA-N
rxn:5:189211:227203:226764,COC(=O)c1c(F)ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCCO3)c1F,XVCDSIXPYWDKTJ-UHFFFAOYSA-N
rxn:5:189211:227680:227203,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2OC(F)(F)O3)c1-c1ccc2c(c1)OCCCO2,SZSPASIRLWCETD-UHFFFAOYSA-N
rxn:5:189211:227863:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)CCCO3)c1-c1cccc(N2C(=O)C=CC2=O)c1,RRXFOVJBWSNMGF-UHFFFAOYSA-N
rxn:5:189211:227875:226737,N#Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2CCCO3)ccc1C(F)(F)F,LYYTVSQKWHRUFU-UHFFFAOYSA-N
rxn:5:189211:228150:226187,COC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccc(C3CCOCC3)c2)cc1,WNFPBDUMCZHSQH-UHFFFAOYSA-N
rxn:5:189211:228479:226332,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1-c1ccccc1C(=O)N1CCC1,YHGGZQRPTUVCMN-UHFFFAOYSA-N
rxn:5:189212:225583:229013,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CC2)c(-c2cccc(C(=O)N3CCCC3)c2)c1,VPHYVGIYWYPYKH-UHFFFAOYSA-N
rxn:5:189212:225584:228174,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C(=O)N3CCCC3)cc2)cc1,IOPZBLJTHZUTDO-UHFFFAOYSA-N
rxn:5:189212:225873:226064,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2cccc(N3CCOCC3=O)c2)c1,FDDUBWBEQYYJHQ-UHFFFAOYSA-N
rxn:5:189212:225943:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc(C(=O)N3CCOCC3)s2)c1,ZBWNKRBTSRELEO-UHFFFAOYSA-N
rxn:5:189212:226159:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc(N3CCCCC3)c2)c1,HHZUIRIVIPAEPN-UHFFFAOYSA-N
rxn:5:189212:226319:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2ccc(C(=O)N3CCC3)cc2)c1,LBAOCQQCUKSXGP-UHFFFAOYSA-N
rxn:5:189212:226332:227197,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccccc3C(=O)N3CCC3)cc2C1=O,DPOFSGODYIWVGO-UHFFFAOYSA-N
rxn:5:189212:226332:227824,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCC3)cc2)c(-c2ccccc2C(=O)N2CCC2)c1,HDWCZTHBXNKMJV-UHFFFAOYSA-N
rxn:5:189212:226415:227506,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(-c2ccccc2N2CCOCC2)c1,UTIBHLVZXSNUIM-OUKQBFOZSA-N
rxn:5:189212:226415:228339,COC(=O)c1cnccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccccc1N1CCOCC1,UKSFPDABAYMWJX-UHFFFAOYSA-N
rxn:5:189212:226469:228247,CC(=O)c1ccc(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)N(C)C(=O)CO3)c1,VXVLGJCFDPAUED-UHFFFAOYSA-N
rxn:5:189212:226881:228079,COc1c(F)c(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2COC3=O)c(F)c1F,MRBSALLDYDTBDR-UHFFFAOYSA-N
rxn:5:189212:226980:225620,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OC3CCOCC3)cc2)c(-c2cccc3c2C(=O)CCC3)c1,PLKLRNLIULLVTJ-UHFFFAOYSA-N
rxn:5:189212:228077:226782,COC(=O)c1cc(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)OC3)cc1F,PORPAUVPSVZNTJ-UHFFFAOYSA-N
rxn:5:189212:228211:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cc(N3CCCC3)cs2)c1,YOBRNPJOTFZBQP-UHFFFAOYSA-N
rxn:5:189212:228241:226464,COc1ccc2c(c1-c1ccc(C(=O)ON3C(=O)CCC3=O)cc1-c1ccc(F)c(C(C)=O)c1)OCCO2,YWVGNYSYGTVADE-UHFFFAOYSA-N
rxn:5:189212:228623:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)c(-c2sccc2C2CCC2)c1,AUUTXJYTYYBVKR-UHFFFAOYSA-N
rxn:5:189212:228870:226415,COC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2N2CCOCC2)c1,XMIZBDZHDVHXTN-UHFFFAOYSA-N
rxn:5:189212:228872:226187,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cccc(C2CCOCC2)c1,VBWIZZJIWLYFFI-UHFFFAOYSA-N
rxn:5:189323:223001:223135,CC(C)(C)OC(=O)c1cc(-c2cccnc2C2CCCNC2)ncc1-c1cc(C2CCCNC2)ccc1F,ZKZWOSGSKYPCDD-UHFFFAOYSA-N
rxn:5:189540:226212:225394,CON=C1CCc2cc(-c3ccc(-c4cc(C5CCC5)cc(C5CC5)c4)c(CN4CC(OC)C4)c3)ccc21,CTWCGQOQNMBDJA-UHFFFAOYSA-N
rxn:5:189662:227766:227390,CCn1nc(C(F)(F)F)cc1-c1cnc(-c2ccnn2C2CCCCC2)c(OCC2CCOCC2)c1,FSVDHIVXYDWWEZ-UHFFFAOYSA-N
rxn:5:189676:227766:226839,CCn1nc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCCC2)ccc1-c1cc(C(F)(F)F)ncc1C#N,XBGZIASUOPMJPZ-UHFFFAOYSA-N
rxn:5:189827:226837:228720,Cc1cnn(C(C)C)c1-c1ccc(CC(=O)N2CCOCC2)cc1-c1c(C)nn(CC(F)(F)F)c1C,CIYKLVGMGWSGIH-UHFFFAOYSA-N
rxn:5:189908:226778:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2cc(OC)c(OC)c(F)c2F)cc1OCC1CCCCC1,KHESNBZYFQKNGK-UHFFFAOYSA-N
rxn:5:189952:228454:226836,COc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cn(C(C)C)nc3C(F)(F)F)c2OC)c(OC)nn1,ADODWOOXOBDESN-UHFFFAOYSA-N
rxn:5:190127:225394:228155,COc1ccc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2C(=O)N2CCC(OC)CC2)cc1OC,CBYRHYMFWHFZOP-UHFFFAOYSA-N
rxn:5:190128:225515:228142,CCCc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc3c2OCC(C)(C)CO3)cc(F)n1,RQHMJAIMFZQYNK-UHFFFAOYSA-N
rxn:5:190128:227361:222990,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(N3CCC(O)CC3)cc2)c(OC)cc1C,ZCZNFDIXJKIHCZ-UHFFFAOYSA-N
rxn:5:190128:228186:226652,COc1c(SC)cccc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1cc(C)nn1C1CCCCO1,XHOZFMCEDYNVJC-UHFFFAOYSA-N
rxn:5:190177:226901:227656,O=C1CC(Sc2ccc(-c3cc(N4CCOCC4)cs3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,UQOSYNVYPBWIHJ-UHFFFAOYSA-N
rxn:5:190194:226152:226907,COc1cc(C2CC2)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc3c2CCC32CC2)c1C,FPDWAFQCOIHDEY-UHFFFAOYSA-N
rxn:5:190194:226191:227705,COc1cc(C(F)F)ncc1-c1c(CN2CCC(OC)CC2)cccc1-c1cc(C2CCCC2)ccc1F,CMVNRMAMRKSHMD-UHFFFAOYSA-N
rxn:5:190194:226464:226067,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc(C3=CCCCC3)cc1)OCCO2,QDMMAZHUQJLXBS-UHFFFAOYSA-N
rxn:5:190194:226599:223008,CCOc1c(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCNCC3)ccc2F)c(C)c1F,AJRONWKEGSYJLD-UHFFFAOYSA-N
rxn:5:190194:228179:225597,COCc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(OC3CCCCC3)nc2)c1,TWSYNLLCNSUTIX-UHFFFAOYSA-N
rxn:5:190196:226464:227203,COc1ccc2c(c1-c1ccc(CN(C)C3CCOCC3)c(-c3ccc4c(c3)OCCCO4)c1)OCCO2,UIAGCHHXNOMAMD-UHFFFAOYSA-N
rxn:5:190196:227561:225618,COc1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cccc(OC4CCCCO4)c3)c2)cc1OC,NOSSJLDMQHDLRB-UHFFFAOYSA-N
rxn:5:190197:223010:228399,COc1c(F)cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)cc1F,GCDAUUNFYPGJPT-UHFFFAOYSA-N
rxn:5:190197:227364:225448,COc1ccc(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2CN(C)C2CCOCC2)c(OC)c1C,QMHMFGLTKJUEGF-UHFFFAOYSA-N
rxn:5:190199:225438:227574,COc1c(F)ccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)c(CN(C)C3CCOCC3)c2)c1OC,PFDNIRHYFMYQNZ-UHFFFAOYSA-N
rxn:5:190264:223251:227745,CC1CCN(C(=O)Cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(-c3ccc4c(c3)OCC(=O)N4)c2)CC1,BQOOUFCXXNUFQO-UHFFFAOYSA-N
rxn:5:190265:223251:227745,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(-c3ccc4c(c3)OCC(=O)N4)c2)C1,LRGVWGSLNAZHMU-UHFFFAOYSA-N
rxn:5:190265:226901:228341,CC1CCCN(C(=O)Cc2ccc(-c3ccc(OC(F)F)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,APQJZTQLYZMXTQ-UHFFFAOYSA-N
rxn:5:190308:226900:227552,CC1CCCN(CCc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2ccccc2CC(F)(F)F)C1,DELXTJXGNIJVHI-UHFFFAOYSA-N
rxn:5:190484:227748:228292,O=C(c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2ccnc3c2OCCO3)S(=O)(=O)CC1,WKJNEKVSTATXRW-UHFFFAOYSA-N
rxn:5:190797:226188:225814,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c2ccn(C(=O)OC(C)(C)C)c2c1,QKJPLWBVWDWYKE-UHFFFAOYSA-N
rxn:5:191026:227813:226188,CCc1cccc(CC)c1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c1)C=C(C(=O)OC)S2(=O)=O,SLCWVHLGDWDGAC-UHFFFAOYSA-N
rxn:5:191026:227917:226188,CCc1ccc(OC)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,VMPSWEIAGYAOHX-UHFFFAOYSA-N
rxn:5:191026:227932:226188,COCc1ccc(C)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,JRNZLTMFPLEZTH-UHFFFAOYSA-N
rxn:5:191026:227932:226927,COCc1ccc(C)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)c(C)c(C)c(C)c4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,PBWXAYOFANNLGU-UHFFFAOYSA-N
rxn:5:191026:228606:226188,CCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,XPZKZKZAZLUMDH-UHFFFAOYSA-N
rxn:5:191026:228925:226188,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C)c([Si](C)(C)C)cc3C)c2)c2cc(-c3cc(SC)cnc3F)ccc2S1(=O)=O,CQMIDSRJYBVVIU-UHFFFAOYSA-N
rxn:5:191945:226686:225832,CC(=O)c1cc(-c2c(C)cnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1[N+](=O)[O-],YLUCJXAFPQEYMX-UHFFFAOYSA-N
rxn:5:192572:225871:225871,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1)N1CCC1,JUDJCKHFIYUTIT-UHFFFAOYSA-N
rxn:5:193052:225871:227804,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-])N1CCCC1,ASYURNQWEFKSQY-UHFFFAOYSA-N
rxn:5:193382:226915:225986,O=S1(=O)CCCN1c1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,ARSZDGHAHZHLAD-UHFFFAOYSA-N
rxn:5:193382:227575:223142,COc1ccc(OC)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCNC4)nc3)c2)c1F,HYYPCBMIYJURRW-UHFFFAOYSA-N
rxn:5:193382:227824:225985,O=S1(=O)CCCN1c1cccc(-c2cc(-c3ccc(C4CCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,YGDWEKKZNIPZQZ-UHFFFAOYSA-N
rxn:5:193463:227119:226901,O=C1CCN(Cc2ccc(-c3cc(C4CCCCC4)cs3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,ILWCGPUWLDABJD-UHFFFAOYSA-N
rxn:5:193465:226131:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccccc1CN1CCCC1,FGNGLEOUGAWALC-NRFANRHFSA-N
rxn:5:193465:227552:225453,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(SC3CCCCC3)c2)c1-c1ccccc1CC(F)(F)F,JBSQVGFYNRBTII-QFIPXVFZSA-N
rxn:5:193465:227756:222990,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCC(O)CC3)cc2)c1-c1c(F)cccc1C(F)(F)F,DCFFARMKSUARRP-IBGZPJMESA-N
rxn:5:193466:222991:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(N2CCCC(O)C2)cc1,QRYBIYWYNZVBJU-VGOKPJQXSA-N
rxn:5:193466:226028:226969,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCCC3=O)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,WAQCHVOYAWEXCP-QGZVFWFLSA-N
rxn:5:193467:226038:227207,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cccc3c2OCCC3=O)cc1C(=O)N1CCC[C@@H]1C,KWXWMRRWGITHRG-INIZCTEOSA-N
rxn:5:193467:226041:226980,C[C@H]1CCCN1C(=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,QCUAZVFTJXFXEB-KRWDZBQOSA-N
rxn:5:193467:226054:223216,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1-c1cnc(C(F)(F)C(F)(F)F)nc1,AXMKEVMHYRHIBM-HNNXBMFYSA-N
rxn:5:193467:226084:226774,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1ccc2c(c1)C(=O)CCCC2,ROAPVCKMXZRAMY-IBGZPJMESA-N
rxn:5:193467:226862:225986,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1cccc(OC(F)(F)F)c1F,NLUYWYOXXPPZBH-SFHVURJKSA-N
rxn:5:193467:226966:225871,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc2c(c1)C(=O)CCC2,AWLFOOBSSVTIEP-FQEVSTJZSA-N
rxn:5:193467:227206:226049,Cc1c(-c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2C(=O)N2CCC[C@@H]2C)ccc2c1COC2=O,WLUIQWONYGIJOF-AWEZNQCLSA-N
rxn:5:193467:227750:225584,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1cccc(F)c1C(F)(F)F,WZMVLTKBEYWBHO-IBGZPJMESA-N
rxn:5:193468:226332:226901,C[C@H]1CCCN1C(=O)c1c(-c2cccc(S(F)(F)(F)(F)F)c2)cccc1-c1ccccc1C(=O)N1CCC1,JUOWVBMGKISHSX-IBGZPJMESA-N
rxn:5:193469:222991:227552,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1-c1ccccc1CC(F)(F)F,LXLXJTPPVIQIOE-OSMGYRLQSA-N
rxn:5:193469:226084:226882,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1-c1ccc(C(F)(F)F)c(F)c1F,PWULNJLXEMLRKM-QGZVFWFLSA-N
rxn:5:193469:226319:226738,CC(=O)c1ccc(-c2cc(-c3ccc(C(=O)N4CCC4)cc3)ccc2C(=O)N2CCC[C@H]2C)c([N+](=O)[O-])c1,MDLVTHSPZRBAHQ-LJQANCHMSA-N
rxn:5:193506:223422:226652,Cc1cc(-c2cc(-c3ccc(/C=N/O)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)n(C2CCCCO2)n1,HLGMTFOOCWXJMZ-MTDXEUNCSA-N
rxn:5:193506:225623:229091,CC(=O)c1occc1-c1cc(-c2cccc(OC3CCOCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,RHOXTYXEUGOHKT-UHFFFAOYSA-N
rxn:5:193506:225832:223452,Cc1n[nH]c(C)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1S(=O)(=O)N1CCC(=O)CC1,KZASUESEPXUQPO-UHFFFAOYSA-N
rxn:5:193506:226900:223144,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2ccc(N3CCC(O)C3)cc2)CC1,OZTXJFQFCSVGCY-UHFFFAOYSA-N
rxn:5:193506:226901:228631,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2ccsc2C2CCC2)CC1,IVUGAEBAGRXLSG-UHFFFAOYSA-N
rxn:5:193506:228064:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnc3c(c2)C(=O)CC3)ccc1S(=O)(=O)N1CCC(=O)CC1,OGJYBYNJJSSDMI-UHFFFAOYSA-N
rxn:5:193506:229061:226571,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(CC4CCOCC4)c3)c2)cn1,POXXNBGTWWXJOY-UHFFFAOYSA-N
rxn:5:193506:229083:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C(C)C)o2)ccc1S(=O)(=O)N1CCC(=O)CC1,ZXQHLRLULFAQPK-UHFFFAOYSA-N
rxn:5:193537:225632:226464,COc1ccc2c(c1-c1cccc(CN3CCCCC3)c1-c1cccc(N3CCN(C)CC3)c1)OCCO2,ILCKTFZUCHCCHD-UHFFFAOYSA-N
rxn:5:193540:225394:226464,COc1ccc2c(c1-c1cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc1CN1CCCCC1)OCCO2,LTBOBNXTWREKLS-UHFFFAOYSA-N
rxn:5:193681:227364:225799,COc1ccc(-c2ccc(-c3cncc(OC4CCOCC4)c3)c(OC3CCN(C)CC3)c2)c(OC)c1C,FPRHVXBWUZZBJB-UHFFFAOYSA-N
rxn:5:193807:225462:226901,CC1CCN(Cc2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2cccc(N3CCC(C)CC3)c2)CC1,LVDUJVRSAQPVHG-UHFFFAOYSA-N
rxn:5:193808:226464:226060,COc1ccc2c(c1-c1ccc(-c3cc(C4CC4)cc(C4CC4)c3)c(CN3CCC(C)CC3)c1)OCCO2,MJOKMBPFVLHCHS-UHFFFAOYSA-N
rxn:5:193869:226343:227364,COc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(OC4CCOC4)cc3)cc2C)c(OC)c1C,AGHHRHKKDCCCTO-UHFFFAOYSA-N
rxn:5:193870:225784:227675,COc1cc(-c2cc(-c3ccc(CN4CCOCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c(F)c(F)c1C,GPFDVBMONUNGKM-UHFFFAOYSA-N
rxn:5:193870:228882:226837,COc1ncc(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)c(S(=O)(=O)N3CCCCC3)cc2C)c(C)n1,RIYJNPCRARQIID-UHFFFAOYSA-N
rxn:5:193967:223010:227361,COc1cc(-c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2CN2CCC3(CC2)OCCO3)c(OC)cc1C,MOOIYIDLZCNZGL-UHFFFAOYSA-N
rxn:5:193967:227655:226212,CON=C1CCc2cc(-c3cc(-c4cc(F)c(F)c(N(C)C)c4)ccc3CN3CCC4(CC3)OCCO4)ccc21,MSNHTSPBASPFAY-UHFFFAOYSA-N
rxn:5:193967:228454:228499,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C(F)(F)F)nn3C)c2)c(OC)nn1,PNPARGSRBWZLCZ-UHFFFAOYSA-N
rxn:5:193968:227376:227669,COc1c(F)c(C)cc(-c2ccc(-c3cncc(N4CCCC4)c3)cc2CN2CCC3(CC2)OCCO3)c1F,ZQIFKVBQVGUQIX-UHFFFAOYSA-N
rxn:5:193968:227387:227350,COc1cc(C)cc(OC)c1-c1ccc(-c2ccnc(N3CCCC3)c2)cc1CN1CCC2(CC1)OCCO2,XRNKQBJRAIBGDL-UHFFFAOYSA-N
rxn:5:193968:227807:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FMPDICYGPQHUSL-UHFFFAOYSA-N
rxn:5:193968:227808:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,MMSSZJUAUSXVRD-UHFFFAOYSA-N
rxn:5:193972:227203:222420,Cc1cc(-c2ccc3c(c2)OCCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,GUPSISKIUFLZAA-UHFFFAOYSA-N
rxn:5:194414:223001:226464,COc1ccc2c(c1-c1c(-c3cc(C4CCCNC4)ccc3F)ccc3c1CCN3CC1CC1)OCCO2,RMNSRWHZUNQANU-UHFFFAOYSA-N
rxn:5:194414:223002:226464,COc1ccc2c(c1-c1c(-c3ccc(C4CCNCC4)cc3F)ccc3c1CCN3CC1CC1)OCCO2,UXWDSUPQSSOARM-UHFFFAOYSA-N
rxn:5:194414:223004:226464,COc1ccc2c(c1-c1c(-c3ccc(C4CCNCC4)c(F)c3)ccc3c1CCN3CC1CC1)OCCO2,NOMUJVNVHKTFGL-UHFFFAOYSA-N
rxn:5:194561:226900:227758,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(F)ccc1C(F)(F)F)N1C2CCC1COC2,BOAZPRUCNJVLQB-UHFFFAOYSA-N
rxn:5:196198:225871:226332,O=C(c1ccccc1-c1cc(N2C(=O)C=CC2=O)ccc1-c1cccc(N2C(=O)C=CC2=O)c1)N1CCC1,JPCPKKFQJIQTFO-UHFFFAOYSA-N
rxn:5:196408:223062:225833,Fc1cc(C2CCNCC2)ncc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C1=NOCCO1,PZTASZCFDJXDNW-UHFFFAOYSA-N
rxn:5:196408:223063:223061,Fc1cc(-c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2C2=NOCCO2)cc(C2CCNCC2)n1,LDOLPEPHDGWFNJ-UHFFFAOYSA-N
rxn:5:196408:223063:223064,Fc1cc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C2=NOCCO2)cc(C2CCNCC2)n1,OOYIGHQMDUOLSC-UHFFFAOYSA-N
rxn:5:196408:223064:223062,Fc1cc(C2CCNCC2)ncc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2F)c1,HJTUQGNRDMDSRJ-UHFFFAOYSA-N
rxn:5:196408:223064:225976,Fc1nc(C2CCNCC2)ccc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1C1=NOCCO1,LVBVMOJDCITPPN-UHFFFAOYSA-N
rxn:5:196408:225834:223064,Fc1cnc(N2CCCCC2)cc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1C1=NOCCO1,OQHDKTMLOBCUCX-UHFFFAOYSA-N
rxn:5:196408:225987:225926,O=S1(=O)CCCN1c1ccc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2C2=NOCCO2)cc1,KGEJXBASPCJSER-UHFFFAOYSA-N
rxn:5:196533:225943:225871,O=C(c1ccc(-c2ccc(N3C(=O)CC(c4cccc(N5C(=O)C=CC5=O)c4)C3=O)cc2)s1)N1CCOCC1,VZIIQCUCJMZACE-UHFFFAOYSA-N
rxn:5:196620:226686:225794,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(OC3CCCCC3)nc2)ccc1N1CCCC1=O,JVJZZKRVVNCITN-UHFFFAOYSA-N
rxn:5:196918:222993:226901,O=C1CCCCN1c1cccc(-c2cccc(N3CCCCC3O)c2)c1-c1cccc(S(F)(F)(F)(F)F)c1,SFJUJJVYXCMAPD-UHFFFAOYSA-N
rxn:5:196918:227613:226835,CC(C)n1nc(C(F)(F)F)cc1-c1c(-c2cnn(C3CCOCC3)c2)cccc1N1CCCCC1=O,AFJMSTWGYRUTGA-UHFFFAOYSA-N
rxn:5:196919:226590:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(OC3CCOC3)nc2)ccc1C1=NC(C)(C)CO1,KCNFFBHIGPWDPY-UHFFFAOYSA-N
rxn:5:197876:226610:226762,CCc1cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,KNYAZELEVXKQSK-UHFFFAOYSA-N
rxn:5:197876:226610:227052,CCc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,XLAZZZDNGJEISN-UHFFFAOYSA-N
rxn:5:197876:226610:228003,CCc1cc(-c2cc3c(cc2-c2c(C)cc(SC)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VJCMQOZOGHJBRH-UHFFFAOYSA-N
rxn:5:197876:226611:227052,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,VOHXUIAZJDKFNN-UHFFFAOYSA-N
rxn:5:197876:226709:226148,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc(C#C[Si](C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,LQOZDQUZFQYYPM-UHFFFAOYSA-N
rxn:5:197876:226709:227018,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,DVUSCJYMFJMZPD-UHFFFAOYSA-N
rxn:5:197876:226709:227299,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cc(F)cc(CN(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,IDRROGZZTLWXTI-UHFFFAOYSA-N
rxn:5:197876:226709:227893,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc(CN(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,URRAZXVDMOZTIU-UHFFFAOYSA-N
rxn:5:197876:226709:228253,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc(P(C)(C)=O)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,HARQPJDBOKLOSM-UHFFFAOYSA-N
rxn:5:197876:226710:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(F)c([Si](C)(C)C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZHAJPRCKLRAGTG-UHFFFAOYSA-N
rxn:5:197876:226710:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GZJHXFBMBOWJLY-UHFFFAOYSA-N
rxn:5:197876:226710:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CQQMRWHSLAAXCY-UHFFFAOYSA-N
rxn:5:197876:226736:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,STUZSIUQHQFIMZ-UHFFFAOYSA-N
rxn:5:197876:226736:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DNXZXZWRYWUNIA-UHFFFAOYSA-N
rxn:5:197876:226767:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JQWSDWGZOZWXEF-UHFFFAOYSA-N
rxn:5:197876:226767:227052,COc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VMIJBEKCJMTJKS-UHFFFAOYSA-N
rxn:5:197876:226826:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,RIVUQPHXLVIBJJ-UHFFFAOYSA-N
rxn:5:197876:226826:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,MMWZEKFGKPGCRY-UHFFFAOYSA-N
rxn:5:197876:226839:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XCKZIASKWKRSFS-UHFFFAOYSA-N
rxn:5:197876:226847:227951,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc([N+](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,LEBHSUVQFMMSCG-UHFFFAOYSA-N
rxn:5:197876:226886:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2S1(=O)=O,VWCOQWZLWHPMPX-UHFFFAOYSA-N
rxn:5:197876:226910:226761,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,BLQSJZBZDBMZPZ-UHFFFAOYSA-N
rxn:5:197876:228445:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2c(F)cccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,DDZOOVBOAAPYDL-UHFFFAOYSA-N
rxn:5:197876:228445:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1c(F)cccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,CLCQVXRPFGCSJV-UHFFFAOYSA-N
rxn:5:197876:228445:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1c(F)cccc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NBPXFLPVRYBBPL-UHFFFAOYSA-N
rxn:5:199278:226837:226836,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3cn(C(C)C)nc3C(F)(F)F)c1)N(C)C(=O)CC2,ZBUSYEZOMKQKEY-UHFFFAOYSA-N
rxn:4:173305:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(OCC(=O)OC)c(C(=O)OC)c2)c1,BXIGUVACIDDIBQ-UHFFFAOYSA-N
rxn:4:173423:224190,COc1ccc(-c2ccc(OCC(F)(F)F)c(OCC(C)C)c2)cc1O[Si](C)(C)C(C)(C)C,WRYMFIHQZLAMPP-UHFFFAOYSA-N
rxn:4:173423:224198,CCN1CCN(Cc2ccc(-c3ccc(OCC(F)(F)F)c(OCC(C)C)c3)c(F)c2)CC1,GORRUERSPOCWDW-UHFFFAOYSA-N
rxn:4:173508:225000,COc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1OCCOC1CCCCO1,OCKDONGNSXDDAM-UHFFFAOYSA-N
rxn:4:173572:223897,Cc1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1OCCCN1CCOCC1,IFNUVUHDANVXLE-UHFFFAOYSA-N
rxn:4:173902:223696,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1OC(C)=O,LVRMJBXNFVWQJA-UHFFFAOYSA-N
rxn:4:173965:223712,CCC(Oc1ccccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1)C(=O)OC,FWVAQJWOBPYVDO-UHFFFAOYSA-N
rxn:4:174047:223712,CCOC(=O)CC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1C,KLSLEZYBSSGHRU-UHFFFAOYSA-N
rxn:4:174367:223835,COC(=O)c1ccccc1CS(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1,VPUHBDVHCZGLAM-UHFFFAOYSA-N
rxn:4:174663:223705,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1,ULSAHOSEXXFZNX-YMLAFDSMSA-N
rxn:4:174663:224447,Cc1ccc(COc2cccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c2)cc1,IBGULFBGJKEHAU-AYLPYWAGSA-N
rxn:4:174663:225074,COc1cccc2c(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c(C(C)C)nn12,MAMXDDRVGWABRR-AZVBUMJCSA-N
rxn:4:174663:226646,Cc1nnc(-c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2)o1,LEHDEPXZYIJILQ-AMNGXLNPSA-N
rxn:4:174663:227171,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(Cl)c3ccccc23)cc1,JQQFTWFEXHDPES-FQEXLZSCSA-N
rxn:4:174663:227220,CCOCSc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,SWHFKNWBIZKBRW-LUTSASADSA-N
rxn:4:174663:227551,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1Cl,ANKYVQCYSMUXPV-YWDCHRJXSA-N
rxn:4:174663:228064,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc3c(c2)C(=O)CC3)cc1,UOXFJHWNJUZGFR-YWDCHRJXSA-N
rxn:4:174663:228365,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(C3CC3)nc2Cl)cc1,YHNLFQZFJMEWEB-SSFXTOADSA-N
rxn:4:174663:229063,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccncc2C#N)cc1,SLXDFGKWOSNRHH-PDMYYMTQSA-N
rxn:4:174699:223606,COC(=O)COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1F,GTSJEBFHQWGVNZ-UHFFFAOYSA-N
rxn:4:174790:223648,CCOC(=O)C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,NUSVPOFLWIOIGZ-UHFFFAOYSA-N
rxn:4:175320:223697,CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1,RRXKHNJGMPSPKV-RTWAWAEBSA-N
rxn:4:175898:224502,CN1CCCCC1COc1cccc(-c2ccc(OCC3CCOCC3)cc2C(F)F)c1,IKUNTEOWCJJBDI-UHFFFAOYSA-N
rxn:4:175931:222537,Cc1cc(OCCC2OCCO2)cc(C)c1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,UZKWMAOYWJSJRM-UHFFFAOYSA-N
rxn:4:176103:224009,COc1ccc(-c2cccc(S(=O)(=O)CCC3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1,JPUCZEDSLSCAKY-UHFFFAOYSA-N
rxn:4:176119:223928,CC(C)(C)OC(=O)c1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(-c2ccc(Cl)cc2F)c1,SNWJEOQRUIAMFI-UHFFFAOYSA-N
rxn:4:176127:223888,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,CDJHQHBENXIBGP-UHFFFAOYSA-N
rxn:4:176157:222699,Cc1ccc(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)c1,HEWZLRACFZGFJX-UHFFFAOYSA-N
rxn:4:176215:223813,COCCOC1CCCOc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc21,OADZWTMBOMCPBY-UHFFFAOYSA-N
rxn:4:176215:223926,COCCOC1CCCOc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)ccc21,WVULHEXNUGFWJC-UHFFFAOYSA-N
rxn:4:176418:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)cc2)C1,OFCYKRUFVQEFOY-UHFFFAOYSA-N
rxn:4:176929:223785,CCN1CCN(CCOc2ccc(-c3c(F)c(F)cc(C(=O)OC)c3OC)cc2Cl)CC1,ATYZPSCBTFYHGE-UHFFFAOYSA-N
rxn:4:178136:222426,CCc1ccc(C(=O)c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2)cc1,HRJSUOVEWFIYOB-UHFFFAOYSA-N
rxn:4:178326:224375,COC(=O)c1ccc(C2CCCCC2)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c1,MGZRFPQGTVHKQZ-UHFFFAOYSA-N
rxn:4:178384:226988,COCCCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,HKVYEBNYQAEMPQ-UHFFFAOYSA-N
rxn:4:178384:227386,c1nn(C2CCCCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZZOZDYHTJGSZNT-UHFFFAOYSA-N
rxn:4:179653:225202,FC(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc(C2CCC2)c1,SJBQCSMTRHKXED-UHFFFAOYSA-N
rxn:4:180487:222588,OC1CCN(CCOc2ccc(-c3ccc(C4CC4)cc3C3CCOCC3)cc2F)CC1,JWSHRCZQUZFHQY-UHFFFAOYSA-N
rxn:4:180765:223638,COc1ccc2c(c1)OC(=Cc1ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc1)C2=O,BBTUYWOPCOJHMN-UHFFFAOYSA-N
rxn:4:182376:225711,COC(COc1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)cc1)OC,VPQAIDSILDZMGR-LBNMFOMMSA-N
rxn:4:182376:225731,CCOC(=O)c1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(OC)c1,CDDMAWAKXMNOEM-GPNSRJIGSA-N
rxn:4:182376:225911,COC(=O)c1cc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(Cl)cc1OC,QSUKDDYHNRLTEU-CMLLYXFLSA-N
rxn:4:182416:228490,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(S(=O)(=O)F)c2)cc1,VIXIUDNIPQECOX-UHFFFAOYSA-N
rxn:4:183234:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)C3(CCOC3)CC4=O)cc21,OIEWZNAESUIXCM-UHFFFAOYSA-N
rxn:4:183271:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,RTZFVMGWHFNCJZ-UHFFFAOYSA-N
rxn:4:183271:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,KMLQREWOGTVIQQ-UHFFFAOYSA-N
rxn:4:183272:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,RDPPEFYEVMBXTK-UHFFFAOYSA-N
rxn:4:183272:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,YTPODXYEZQJLTD-UHFFFAOYSA-N
rxn:4:183272:224929,COc1cc2ccccc2c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,TYGIYXZXLCEPOE-UHFFFAOYSA-N
rxn:4:183272:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,QWILDHNRXPUCCK-UHFFFAOYSA-N
rxn:4:183272:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,KKKQXDLILOBMDX-UHFFFAOYSA-N
rxn:4:183272:227056,COc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GWEUOMVIXBTYIA-UHFFFAOYSA-N
rxn:4:183272:227058,COc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OHFJSJYCNCGFFD-UHFFFAOYSA-N
rxn:4:183272:227072,COc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,VGMXEUZCEXRLJX-UHFFFAOYSA-N
rxn:4:183273:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FCXNTOYYKGBVQP-UHFFFAOYSA-N
rxn:4:183273:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KJODAJUNXYCAIN-UHFFFAOYSA-N
rxn:4:183273:224929,COc1cc2ccccc2c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AHAXLSAKLBQLQZ-UHFFFAOYSA-N
rxn:4:183273:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FRRWCJMZKGOHKU-UHFFFAOYSA-N
rxn:4:183273:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,USEQPSRDRXAIKH-UHFFFAOYSA-N
rxn:4:183273:227056,COc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FGOMVXUBTKVTIH-UHFFFAOYSA-N
rxn:4:183273:227058,COc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,PHJWBJNCDXHFBY-UHFFFAOYSA-N
rxn:4:183273:227072,COc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FCSLWHUEKAXPEH-UHFFFAOYSA-N
rxn:4:183273:229286,Cn1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,SBRXGHKDKKVSJB-UHFFFAOYSA-N
rxn:4:183274:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,GFDZWARCAXVQJQ-UHFFFAOYSA-N
rxn:4:183274:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,KAZJEHPUBYBWHB-UHFFFAOYSA-N
rxn:4:183274:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ZYNNICTXTBXJOY-UHFFFAOYSA-N
rxn:4:183274:224929,COc1cc2ccccc2c(OC)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FCSUMZNGNYNSLW-UHFFFAOYSA-N
rxn:4:183274:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,MTWFNNKGAJNLQF-UHFFFAOYSA-N
rxn:4:183274:227038,COc1ccc(C(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,DADXSRLERIHXJU-UHFFFAOYSA-N
rxn:4:183274:227056,COc1cccc(C2CC2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,RRVVQUNNNVFPIP-UHFFFAOYSA-N
rxn:4:183274:227058,COc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,AIJZHILRJLWAOP-UHFFFAOYSA-N
rxn:4:183274:227072,COc1cc(C2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,HXIDKKZGBJGLCF-UHFFFAOYSA-N
rxn:4:183481:223696,CCOC(=O)C(=O)Cc1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cccc1[N+](=O)[O-],BMCLWAKTBZEFFF-UHFFFAOYSA-N
rxn:4:183490:223591,CCOC(=O)Cc1c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc(C#N)cc1C(F)F,DVNGSLYFNUJHNI-UHFFFAOYSA-N
rxn:4:183556:222538,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,FENSCSKQMISYEY-UHFFFAOYSA-N
rxn:4:183624:223845,CCN(CC)C(=O)COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1F,NNWWHAQNQDYWNF-UHFFFAOYSA-N
rxn:4:183808:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,YKDSCOMKNFSDKC-UHFFFAOYSA-N
rxn:4:183808:224927,COC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c2ccccc12,VXIJMAVUVLOMBI-UHFFFAOYSA-N
rxn:4:183860:225733,CCCCOc1cc(-c2ccccc2OCC2CCN(CC(=O)OC)CC2)c(F)cc1F,GFXBUSYDSXGSHT-UHFFFAOYSA-N
rxn:4:183872:225309,COCCOc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)ccc1C(=O)N1CCCCC1,WCRIHCUDSATHBQ-UHFFFAOYSA-N
rxn:4:183876:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cc(Cl)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,GSWKXVSHCFTAOC-UHFFFAOYSA-N
rxn:4:183878:222395,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cccc(C(=O)NC4CCC(O)CC4)c3)c2)C1,PPOZCCNUQXCSHA-UHFFFAOYSA-N
rxn:4:183882:222982,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2)C1,NCGDRRQVISTASM-OAQYLSRUSA-N
rxn:4:183882:226716,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccn(C(=O)OC(C)(C)C)n3)c2)C1,WLYZSLBLTNMQBB-UHFFFAOYSA-N
rxn:4:183892:225309,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)c1,NTCBCKIVYVERJS-UHFFFAOYSA-N
rxn:4:183964:223952,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c1,PPZITPDFABKWBH-UHFFFAOYSA-N
rxn:4:184015:223894,CN1CCN(CCCOc2cccc(-c3cccc(COC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,XVKWKORFFYKNRC-UHFFFAOYSA-N
rxn:4:184016:222699,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)CC1,JTEJZNUJRSNWHN-UHFFFAOYSA-N
rxn:4:184018:223592,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,JTXKQHWZTYMQDB-UHFFFAOYSA-N
rxn:4:184022:223777,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1,OJIMYHVOOPDWPK-UHFFFAOYSA-N
rxn:4:184023:223937,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,MEHGLTLZNSVUJT-UHFFFAOYSA-N
rxn:4:184023:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,GHXCJDMQAOIMDN-UHFFFAOYSA-N
rxn:4:184024:224720,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,ASKCCXIVZBBAME-UHFFFAOYSA-N
rxn:4:184026:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,BGQUIBKCFDQATA-UHFFFAOYSA-N
rxn:4:184056:226661,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(N2CCN(C)CC2)cs1,KHFRBBOORRMJPD-UHFFFAOYSA-N
rxn:4:184329:223606,CCOC(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cn1,KRLIAKVTEGMBDG-UHFFFAOYSA-N
rxn:4:184344:223835,COCCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(F)cc1[N+](=O)[O-],ARLPPRSSAFTPRR-UHFFFAOYSA-N
rxn:4:184777:223498,COC(=O)c1nc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OCc1ccccc1,XMWLAPJNYADTRO-UHFFFAOYSA-N
rxn:4:184848:225875,CCOc1cc(-c2ccc(N3CCOCC3)cc2Cl)ccc1C(=O)ON1C(=O)CCC1=O,AAHXIUUVVACZMP-UHFFFAOYSA-N
rxn:4:184899:222389,CCN(Cc1cc(OC)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1)C1CC1,MTQPPUZFNUZTIR-UHFFFAOYSA-N
rxn:4:184906:223901,CC1CCN(CCOc2ccc(-c3cccc(F)c3OCCCN3CCCC3)cc2Cl)CC1,OOYZZGNLMKVMID-UHFFFAOYSA-N
rxn:4:185017:222719,COc1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c(CN(C)CC2CCC2)c1,FKUZCPGQWGYOHX-UHFFFAOYSA-N
rxn:4:185022:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccc(F)c1OCCCN1CCCCC1,WWGVWOAAMYWPKI-UHFFFAOYSA-N
rxn:4:185025:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,KBZFYJKNQQSGPJ-UHFFFAOYSA-N
rxn:4:185027:223818,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)C1,YTFURPYTUPCKTF-UHFFFAOYSA-N
rxn:4:185027:223941,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c2)C1,MTMHGPSISWXIJX-UHFFFAOYSA-N
rxn:4:185027:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,HZCARMBHUMCTQW-UHFFFAOYSA-N
rxn:4:185045:224371,COC(=O)C1CCN(c2ncc(-c3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3Cl)cn2)CC1,OPBQGNYIIFTBNA-UHFFFAOYSA-N
rxn:4:185093:222645,CC1CN(CCCOc2ccccc2-c2cccc(OCCN3CCC(O)CC3)c2)CCO1,KQNKYVRQZHUOKO-UHFFFAOYSA-N
rxn:4:185097:225581,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(CN3CCOCC3)cc2)CC1,NUMPPUSANMLTGH-UHFFFAOYSA-N
rxn:4:185111:226087,CCCCCOc1ccc(-c2cc(F)ccc2CC(=O)N2CCC(C(=O)OC)CC2)cc1,XGRHPFINUPLRLP-UHFFFAOYSA-N
rxn:4:185124:223646,CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,YHUJMQXGXPQDTL-UHFFFAOYSA-N
rxn:4:185130:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,LZKSLJVERPDOEQ-UHFFFAOYSA-N
rxn:4:185130:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,TVJSFOYLHJUTNC-UHFFFAOYSA-N
rxn:4:185138:222684,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ccc2F)CC1,QVSDJMABTYHZCT-UHFFFAOYSA-N
rxn:4:185138:224590,COC(=O)C1CCN(CCc2cc(-c3ccc(CN4CCC(C)CC4)cc3F)ccc2F)CC1,ZVBIMTIFSOPZDR-UHFFFAOYSA-N
rxn:4:185139:222864,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCNC(C)C)c(F)c3)c2)CC1,UATIKJVUPDRTNA-UHFFFAOYSA-N
rxn:4:185164:226235,CCCCOc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)c(C)n1,IBJFOZWMXJVZKY-UHFFFAOYSA-N
rxn:4:185167:224754,O=C(c1ccccc1)N(Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)o1)C1CCS(=O)(=O)C1,WVMSLBNAXHMYJK-UHFFFAOYSA-N
rxn:4:185182:224065,COc1ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c(CN(C)CC2CCCC2)c1,ILUUDFRQNQHMDY-UHFFFAOYSA-N
rxn:4:185192:224633,COc1ccc(CN2CCOCC2)cc1-c1cccc(F)c1OCCCN1CCCC(C)C1,ABNXRIPBDADGRG-UHFFFAOYSA-N
rxn:4:185197:223527,Cc1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OC1CN(C(=O)OC(C)(C)C)C1,FJWDZEQHCLXLRH-UHFFFAOYSA-N
rxn:4:185203:222426,COc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(C2CN(C(=O)OC(C)(C)C)C2)c1,IDMXUDGCZXXGQK-UHFFFAOYSA-N
rxn:4:185208:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)ccn2)CC1,MZEQTWJVIIFPMQ-UHFFFAOYSA-N
rxn:4:185226:222855,COc1cc(-c2cc(OC)c(C(=O)N3CCCCC3C(F)(F)F)c(OC)c2)cc(C2CCCNC2)c1,PORPNLMSMLUGFZ-UHFFFAOYSA-N
rxn:4:185249:225515,COc1cc(-c2cccc3c2OCC(C)(C)CO3)cc(OC)c1CN1CCCCC1C(F)(F)F,DFBRNOOCMXFPTG-UHFFFAOYSA-N
rxn:4:185263:224665,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1ccc(F)cc1CN1CCN(C)CC1,AWXPIJRMZVQJAC-UHFFFAOYSA-N
rxn:4:185269:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1,AFQBXOOKXHWEBE-UHFFFAOYSA-N
rxn:4:185309:224280,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,DXLGRBGWEKWWDJ-UHFFFAOYSA-N
rxn:4:185309:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,VLHRQYIOERZOMX-UHFFFAOYSA-N
rxn:4:185313:223521,CC(c1cccc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,QGQFQLNKNZXGQO-UHFFFAOYSA-N
rxn:4:185314:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(OC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,NBRHETXGVRHDFQ-UHFFFAOYSA-N
rxn:4:185318:224653,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)cc(C3CC3)c2)C1,NDMSZQWFZIDSIS-UHFFFAOYSA-N
rxn:4:185322:223264,CNC(=O)c1cc(-c2ccc(Cl)c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,WAQBSOZZZPOTCF-UHFFFAOYSA-N
rxn:4:185323:223189,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2F)CC1,OONDNUCQUXCFAZ-UHFFFAOYSA-N
rxn:4:185324:222948,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)CC1,VFDMBFIMSHVLPM-UHFFFAOYSA-N
rxn:4:185352:225294,CCN1CCN(c2ncc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,MTIJXLGVXNPLMM-UHFFFAOYSA-N
rxn:4:185354:223937,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,VYQIYEADYWTREY-UHFFFAOYSA-N
rxn:4:185378:223940,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)c2)CC1,HHXNOHJTSOGSNI-UHFFFAOYSA-N
rxn:4:185383:225531,CCN(CC)Cc1cc(F)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,RHWXYCUSKKAKIM-UHFFFAOYSA-N
rxn:4:185383:228214,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(C4CC4)cc3F)cc(C(F)(F)F)c2)CC1,NELDSSVEFGAFPE-UHFFFAOYSA-N
rxn:4:185386:224076,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)C1,JZFBQLIZWQXNFN-UHFFFAOYSA-N
rxn:4:185388:223492,Cc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LSABPXORBAODDR-UHFFFAOYSA-N
rxn:4:185401:222537,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,WOQPPRSKUKZZGZ-UHFFFAOYSA-N
rxn:4:185405:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)CC1,GXINSIVIUPEYAY-UHFFFAOYSA-N
rxn:4:185407:226488,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCCF)c(F)c1,YLFGEBZCAZBMKG-UHFFFAOYSA-N
rxn:4:185407:226760,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)cc(F)c1F,MYYRHFGXXUOQBK-UHFFFAOYSA-N
rxn:4:185408:226115,CC(C)CC(=O)c1cccc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,DFIBJQSNZLORTG-UHFFFAOYSA-N
rxn:4:185409:227549,COC(=O)c1cc(Cl)ccc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)C2)c1,XTLNYJNPXAWQBZ-UHFFFAOYSA-N
rxn:4:185411:223748,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2C2CC2)C1,FIWLEIOOKLAXLG-UHFFFAOYSA-N
rxn:4:185413:225798,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(OC2CCOCC2)nc1,UYETYDWWHWCKBS-UHFFFAOYSA-N
rxn:4:185421:227269,CCOc1cccc(OC)c1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1C1CC1,PKGMGIOESITPKT-UHFFFAOYSA-N
rxn:4:185430:223591,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc(C(F)(F)F)c1,KXLRKUSBRDJWGI-UHFFFAOYSA-N
rxn:4:185438:223921,CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(Cl)c1)c1ccccc1,OBNJEEVMHADQPA-UHFFFAOYSA-N
rxn:4:185438:227438,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCOC4)c3)cc2)CC1,FHKMOMLLJKVFGQ-UHFFFAOYSA-N
rxn:4:185439:223577,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CC2)c1,GGVUDFZCIUYNSJ-UHFFFAOYSA-N
rxn:4:185439:224157,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc(C2CC2)c1,HPDXRNVLWLCDGR-UHFFFAOYSA-N
rxn:4:185442:224269,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)cc(C2COC2)c1,LVUAEXGYBXYSPJ-UHFFFAOYSA-N
rxn:4:185446:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CC1,NJVVCNSSELYVEV-CCZUJOCFSA-N
rxn:4:185446:226587,CC(c1ccc(-c2cnc(OC3CCC3)cc2F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KOUQVTIATQIJJO-UHFFFAOYSA-N
rxn:4:185483:223951,CN1CCN(CCOc2ccc(-c3ccc(F)c(OCCCN4C(=O)c5ccccc5C4=O)c3)cc2F)CC1,UCKAAQJGTMZUMZ-UHFFFAOYSA-N
rxn:4:185545:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c2)CC1,FVWIHIMMKFQQAC-UHFFFAOYSA-N
rxn:4:185687:223696,CCOC(=O)c1sc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)nc1C(F)(F)F,LGSCPUKIQXKJRH-UHFFFAOYSA-N
rxn:4:186031:223533,COC(=O)Cc1nc(C(F)(F)F)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,FXXCDXRPETZYRU-UHFFFAOYSA-N
rxn:4:186068:223606,CCOC(=O)/C=N/c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,STPKHCQCICPIKU-PCLIKHOPSA-N
rxn:4:186338:223696,CCOC(=O)C1(c2cncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c2)CC1,UPWQOWITMLHMDF-UHFFFAOYSA-N
rxn:4:186698:223493,COC(=O)C1CN(Cc2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc2)C1,KUUOQQVDETXXLH-UHFFFAOYSA-N
rxn:4:186874:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCCN2CCOCC2)cc1F,JBQHCYBNBQOHQA-UHFFFAOYSA-N
rxn:4:186922:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(OC(F)(F)F)c1,YRAVHFXGDNUHOF-UHFFFAOYSA-N
rxn:4:186922:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(OC(F)(F)F)c3)cc2)CC1,GBMAWUOKNGJYEV-UHFFFAOYSA-N
rxn:4:186990:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)c1,UFEJLNPQXPIMBM-UHFFFAOYSA-N
rxn:4:186990:224819,O=C(CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1,YFQBEXXCEPEKMU-UHFFFAOYSA-N
rxn:4:187011:225004,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(CN4CCC(=O)CC4)cc3)cc2F)C1=O,WCFYSOYOHHXIJD-QHCPKHFHSA-N
rxn:4:187081:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])cc(F)c3OCC3CCCCC3)cc2)CC1,ZYVIMFGXBXFPEF-UHFFFAOYSA-N
rxn:4:187127:222735,O=C(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)c1,XEUXYECVTIYJMX-UHFFFAOYSA-N
rxn:4:187142:227279,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cc(C3CC3)nn2C(C)C)SC1=S,YXJJYYXRRGTADO-UHFFFAOYSA-N
rxn:4:187183:224290,COC(=O)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,RXTXDIINPUCJKC-UHFFFAOYSA-N
rxn:4:187189:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,VSBRSZBZAMDQPG-UHFFFAOYSA-N
rxn:4:187190:223480,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KVHQORKIGNIGSV-UHFFFAOYSA-N
rxn:4:187206:223578,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c(Cl)c2)C1,BHVIJVLUIKBDJP-UHFFFAOYSA-N
rxn:4:187220:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,YJYUGWVVSJLSLF-UHFFFAOYSA-N
rxn:4:187222:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,DDKRVQQLZDVXFB-UHFFFAOYSA-N
rxn:4:187305:223787,COC1CCN(CCc2ccc(F)c(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)CC1,YWJYWOIZSLYPOK-UHFFFAOYSA-N
rxn:4:187327:226652,Cc1cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)n(C2CCCCO2)n1,MLWNTSZXPAUXDB-FIWHBWSRSA-N
rxn:4:187365:223847,CCCCCC1CCC(c2ccc(-c3ccc(OC4CCN(C)CC4)cc3OCC)cc2)CC1,GCKKAWKREZBYAC-UHFFFAOYSA-N
rxn:4:187384:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)c2)CC1,GLLXQRRQFNGLJX-UHFFFAOYSA-N
rxn:4:187421:223480,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GLXOLLPTSJMXGE-UHFFFAOYSA-N
rxn:4:187438:223889,Cc1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,PTVFSYINYKEYFS-UHFFFAOYSA-N
rxn:4:187445:223933,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2F)C1,WZFXMKDJNKVXJI-UHFFFAOYSA-N
rxn:4:187483:224155,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)c(OC)c1,FUHVXNFXQBFNNS-UHFFFAOYSA-N
rxn:4:187484:223785,CCOc1ccc(-c2ccc(OCCN3CCN(CC)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1C,LRXUESFYCZFQKN-UHFFFAOYSA-N
rxn:4:187492:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c(F)cn2)CC1,UTHLNRUXTBSNAK-UHFFFAOYSA-N
rxn:4:187492:223588,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,WURPBHMQAYKQEC-UHFFFAOYSA-N
rxn:4:187492:224160,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)C1,MHFHBFMYIYJVQQ-UHFFFAOYSA-N
rxn:4:187493:224268,CC(C)(C)OC(=O)N1CCOC(c2ccccc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)C1,RNGWTCPTDQPQCV-UHFFFAOYSA-N
rxn:4:187494:223975,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc2)C1,PAELBWQHJLDMRO-UHFFFAOYSA-N
rxn:4:187499:222522,COc1ccc(-c2cc(OC)c(C(=O)N3CCCC(C)C3)c(OC)c2)cc1S(=O)(=O)N1CCC(O)CC1,LUXNHYLUCXKQTN-UHFFFAOYSA-N
rxn:4:187573:224269,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c2)CC1,INBPXWIKPGUAKQ-UHFFFAOYSA-N
rxn:4:187581:224162,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)co1,HHDJNVOPIJCOON-UHFFFAOYSA-N
rxn:4:187583:223602,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)ccc2Cl)CC1,ZXJIUCBPPORSDW-UHFFFAOYSA-N
rxn:4:187584:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,FFENYTPMXZIANK-UHFFFAOYSA-N
rxn:4:187586:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cc(C(F)(F)F)c2)CC1,ZJWZUVCIMBXHBC-UHFFFAOYSA-N
rxn:4:187587:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc21,MVYYDHRJZQOMFD-UHFFFAOYSA-N
rxn:4:187587:226115,CC(C)CC(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,SZRHNKBOIRJQLX-UHFFFAOYSA-N
rxn:4:187592:223951,CN1CCN(CCOc2ccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2F)CC1,KALAKYZUMGKSFP-UHFFFAOYSA-N
rxn:4:187593:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,KABNBVBVXBJTST-UHFFFAOYSA-N
rxn:4:187593:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)c2)CC1,SQLLYCHSSJAREM-UHFFFAOYSA-N
rxn:4:187625:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cccc(OC(C)C)c1CN1CCC(C)CC1,VRTNMDPIPSBRIR-UHFFFAOYSA-N
rxn:4:187631:223592,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc2)CC1,TXVAWPFCYYEONU-UHFFFAOYSA-N
rxn:4:187639:223589,Cc1ccc(N(C(=O)c2ccccc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)C2C=CS(=O)(=O)C2)cc1C,XHGOHTWEZKEOON-UHFFFAOYSA-N
rxn:4:187639:225294,CCN1CCN(c2ncc(-c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C3C=CS(=O)(=O)C3)cn2)CC1,ZUFIMHWMDDCKFT-UHFFFAOYSA-N
rxn:4:187659:223637,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,XJWILUOZLDWDHC-UHFFFAOYSA-N
rxn:4:187659:223776,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2)CC1,JEAVCKCRZWRYCL-UHFFFAOYSA-N
rxn:4:187673:222799,Cc1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1S(=O)(=O)NC(C)(C)C,ZWDSFGOVBNRKNS-UHFFFAOYSA-N
rxn:4:187673:226275,Cc1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cnc1OCC(C)C,CSYAQDLDKMVOMB-UHFFFAOYSA-N
rxn:4:187779:223811,COCCCN1CCOc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc21,ZOQZYTINSXGWBH-UHFFFAOYSA-N
rxn:4:187779:223812,COCCCN1CCOc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc21,FVPWOIXJLFPIMN-UHFFFAOYSA-N
rxn:4:187779:223813,COCCCN1CCOc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc21,OBTLYPGPSCDPKT-UHFFFAOYSA-N
rxn:4:187779:223815,COCCCN1CCOc2ccc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc21,XHEABGGSJBNDIY-UHFFFAOYSA-N
rxn:4:187779:223926,COCCCN1CCOc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc21,MSSKWHGVUVFJMX-UHFFFAOYSA-N
rxn:4:187916:224619,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(OCCN2CCCC2)c(F)c1,MGZJDYKRSYTELA-UHFFFAOYSA-N
rxn:4:187944:224802,COC(OC)c1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(C(F)(F)F)c1,QPKGDULHDOBOSU-UHFFFAOYSA-N
rxn:4:187944:225514,c1cc2c(c(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)c1)OCC1(CC1)CO2,HIBYKMLUHBCIFV-UHFFFAOYSA-N
rxn:4:187944:226225,COCCOCc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,LBJZSVKOGRYYTK-UHFFFAOYSA-N
rxn:4:187944:226230,COCCOCc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1,KRDVFBYPLJFTDZ-UHFFFAOYSA-N
rxn:4:187944:226464,COc1ccc2c(c1-c1ccc3c(c1)OCCCC3OCCN1CCOCC1)OCCO2,RTZPMOBIFXKRIA-UHFFFAOYSA-N
rxn:4:187946:225264,COC(=O)c1ccc(-c2c(OC)ccc3c2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1C(=O)OC,CPCLRPCYVXOZTA-OAHLLOKOSA-N
rxn:4:187982:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4cc(C(=O)Oc5ccc6ccccc6c5)c5ccccc5n4)cc3)cc2)CC1,DUXPSGTVGVWESJ-UHFFFAOYSA-N
rxn:4:187995:223106,CCc1cc(-c2cnc(N3CCC(O)C3)nc2Cl)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,IHHQZRNONZBBAJ-UHFFFAOYSA-N
rxn:4:188605:223638,CCOc1c(F)ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1[N+](=O)[O-],AUDALSURFXUABH-UHFFFAOYSA-N
rxn:4:188922:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1S(N)(=O)=O,VYWZLHYUBUBPFD-UHFFFAOYSA-N
rxn:4:188932:222538,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1,DDJPUSJPQHZBLQ-UHFFFAOYSA-N
rxn:4:188932:224009,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1,JJNMRIDYCXLPDA-UHFFFAOYSA-N
rxn:4:189167:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,RRZQOWSFFUPWNO-UHFFFAOYSA-N
rxn:4:189600:223815,Cc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1C(=O)ON1C(=O)CCC1=O,DFDRAOYUQHYHDA-UHFFFAOYSA-N
rxn:4:189866:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,CFHFHVTUGXEGFB-UHFFFAOYSA-N
rxn:4:189922:222702,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,SJKNIIPAAKDKBT-UHFFFAOYSA-N
rxn:4:189922:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCOCC4)ncc3C(=O)OC)cc2)CC1,BUTITXFHVHAWDE-UHFFFAOYSA-N
rxn:4:190016:224009,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1,SZZQNFDAIGPJEJ-UHFFFAOYSA-N
rxn:4:190108:224397,CC1CN(C(=O)Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)CCO1,SYRYBEQZEHIUIK-UHFFFAOYSA-N
rxn:4:190140:224169,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1cccc(OCCCN2CCOCC2)c1,ONDOTUZMXLMFSZ-UHFFFAOYSA-N
rxn:4:190166:225876,O=S(=O)(c1ccc(-c2cc(Cl)ccc2N2CCOCC2)c(C(F)(F)F)c1)N1CCCCC1,CHCMKLJNSOTHGR-UHFFFAOYSA-N
rxn:4:190217:223682,CCC(=O)C1CCCN(c2ccccc2-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)C1=O,RQXSIDIHZRAHLG-UHFFFAOYSA-N
rxn:4:190224:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(CN4CCOCC4)c(S(C)(=O)=O)c3)c2)CC1,VKJRXFQSSNXXEL-UHFFFAOYSA-N
rxn:4:190328:224817,Cc1cc(S(=O)(=O)N(C)C2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCOCC1,KKQUCKSEQBWEAO-UHFFFAOYSA-N
rxn:4:190365:224285,COC1CCN(Cc2ccc(C)cc2-c2ccc(OCCN3CCOCC3)cc2F)CC1,KHGWZQAEBNBCNE-UHFFFAOYSA-N
rxn:4:190378:224247,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,ONEXBQTYFUEBHY-UHFFFAOYSA-N
rxn:4:190379:224246,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,YZNCBQQNNVAKEK-UHFFFAOYSA-N
rxn:4:190427:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(C4CCN(C(=O)C5CCC5)CC4)cc3)cc2)CC1,ZHWFNFIKDJUBAS-UHFFFAOYSA-N
rxn:4:190428:225190,COc1cc(N2CCOCC2)ccc1-c1cc(CN2CCC(F)(F)C2)cc(C(C)(C)C)c1,JTXCJPYUEAXQMD-UHFFFAOYSA-N
rxn:4:190473:225809,Cc1cc(-c2cc(F)ccc2OC2CCOC2)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,MXEMXIAOTBDJEW-UHFFFAOYSA-N
rxn:4:190477:224633,COc1ccc(-c2cc(CN3CCOCC3)ccc2OC)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,KCMKUYUUMFRRTL-UHFFFAOYSA-N
rxn:4:190558:223504,CCOC(=O)n1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c2ccccc21,YJFZDUMOQUGHCK-UHFFFAOYSA-N
rxn:4:190773:223811,COCCN1CCc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)ccc2C1,GWYDINPERPVBMY-UHFFFAOYSA-N
rxn:4:190773:223813,COCCN1CCc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc2C1,WPVIWSLKSHIAKG-UHFFFAOYSA-N
rxn:4:190823:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cc2F)CC1,TUPPAPVVPCFOMH-UHFFFAOYSA-N
rxn:4:190827:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)C4=O)c2C1,WJDUZLXRFGWZLE-UHFFFAOYSA-N
rxn:4:190931:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)c(Cl)c1,ISCMTJDBZLOERA-UHFFFAOYSA-N
rxn:4:191010:223867,COc1ccccc1CN1Cc2cc(-c3cccc(OCCCN4CCC(C)CC4)c3)ccc2OCC1=O,BGGXSNWMEKQBIG-UHFFFAOYSA-N
rxn:4:191103:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,GDCLCBFAQOGAOE-UHFFFAOYSA-N
rxn:4:191103:223992,Cc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,PJDULGBXARNQAI-UHFFFAOYSA-N
rxn:4:191104:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CO3)n2C(=O)OC(C)(C)C,WMDGGDJRYTWIPQ-UHFFFAOYSA-N
rxn:4:191104:226485,COCCOc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)ccc1Cl,GSPXXIDVYXIBRN-UHFFFAOYSA-N
rxn:4:191119:226655,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc(Cl)cnc3N3CCCC3)cc1C2=O,CRUZARDIKJIMDI-UHFFFAOYSA-N
rxn:4:191120:227991,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3ccc(Cl)cc3C3CC3)cc1C2=O,GOIRVOUAGMVBNS-UHFFFAOYSA-N
rxn:4:191123:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,WUSRJNVDSAMIKA-UHFFFAOYSA-N
rxn:4:191123:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,KXALFOYABDURDP-UHFFFAOYSA-N
rxn:4:191123:225899,Cc1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)n(C(=O)OC(C)(C)C)n1,PWRJSIYNFMUOFN-UHFFFAOYSA-N
rxn:4:191124:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,BKBBKJABWYBVCJ-UHFFFAOYSA-N
rxn:4:191125:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,USKAYLVINBPROA-UHFFFAOYSA-N
rxn:4:191125:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KYYUNNBYEQHCKU-UHFFFAOYSA-N
rxn:4:191125:224280,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)ccc32)CC1,XFHJYJINVHGVNO-UHFFFAOYSA-N
rxn:4:191129:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CCC1(CCN(C(=O)OC(C)(C)C)CC1)O2,XYBYSLAIORXZJW-UHFFFAOYSA-N
rxn:4:191234:223539,COC(=O)c1nc(Cl)sc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,XXXJTAVMOTZVTN-UHFFFAOYSA-N
rxn:4:191461:223539,COC(=O)c1oc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C,XVAPNJNDIAWHPU-UHFFFAOYSA-N
rxn:4:192335:223602,CN(C)C(=O)c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1Cl,LUHUTSZVUYFCHE-UHFFFAOYSA-N
rxn:4:192385:223536,CN(C)C(=O)c1c(F)cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,SHIVMAPYVCIPCB-UHFFFAOYSA-N
rxn:4:193013:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(SC4CCOCC4)nc3)c(Cl)c2)CC1,ZZXJSVRZFMMKDN-UHFFFAOYSA-N
rxn:4:193186:223696,O=S1(=O)CCCN1Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,MXNDUQKCDHYYFL-UHFFFAOYSA-N
rxn:4:193202:223696,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)o1)N1CCCOCC1,MMRSBRBKWPJTME-UHFFFAOYSA-N
rxn:4:193344:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(F)cc3CN3CCOCC3)cc2)CC1,FYTPJAMBPYLFMF-UHFFFAOYSA-N
rxn:4:193499:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCC(=O)CC2)c1,VAVNAKAIEIFTFU-UHFFFAOYSA-N
rxn:4:193554:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(CN4CCOC45COC5)cc3)c2)CC1,RWJBTBPEDDVMDG-UHFFFAOYSA-N
rxn:4:193562:223810,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,RDARPDHJOACSBM-UHFFFAOYSA-N
rxn:4:193613:223591,Cc1cc(F)c(C(=O)N2CCOCC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OKOZXJQPDUZBIL-UHFFFAOYSA-N
rxn:4:193623:223753,Cc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(F)cc2F)cc1OCCCN1CCN(C)CC1,GLAGPWHPRIZKBC-UHFFFAOYSA-N
rxn:4:193687:223748,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,PUJWQOMAVRGGRL-UHFFFAOYSA-N
rxn:4:193754:223786,CC1CCN(C(=O)c2cccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2Cl)CC1,IQTLEETXXRXBNU-UHFFFAOYSA-N
rxn:4:193935:225326,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)c([N+](=O)[O-])c1,PGIVBAFMBUSSHC-UHFFFAOYSA-N
rxn:4:193961:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2C)c1,ZZGITMYSTWBTJP-UHFFFAOYSA-N
rxn:4:193963:223897,Cc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1OCCCN1CCOCC1,CYUXYRMCYYHDFY-UHFFFAOYSA-N
rxn:4:193965:224018,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc(S(=O)(=O)N2CCCC(C)C2)c1,NBKOGBUUPNLOJA-UHFFFAOYSA-N
rxn:4:193969:224634,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1CN1CCOCC1,KLJDLOONYQXLQL-UHFFFAOYSA-N
rxn:4:193972:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCCC1,VWMNGZKCKIANIT-UHFFFAOYSA-N
rxn:4:193974:222465,O=S(=O)(c1cccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OCCO2,ZOTYVIQWYZPMPB-UHFFFAOYSA-N
rxn:4:193997:222522,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCCC(C)C3)cc2C)cc1S(=O)(=O)N1CCC(O)CC1,OXQBYHUHFSMDHD-UHFFFAOYSA-N
rxn:4:193997:223841,Cc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,KNEKGMZWOBYPPU-UHFFFAOYSA-N
rxn:4:193999:224398,Cc1cc(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)c(S(=O)(=O)N2CCC(C)CC2)cc1C,NNVYTLYUFTVMFD-UHFFFAOYSA-N
rxn:4:194709:224756,O=C(c1ccc(F)cc1-c1ccc2c(c1)N(CC1CCCCC1)C(=O)CO2)N1CCOCC1,OOGZUBXOPWWHFU-UHFFFAOYSA-N
rxn:4:194712:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)CC1,VDGPPSICTPVWMU-UHFFFAOYSA-N
rxn:4:194712:223578,FC(F)(F)C1CCCN(C2CCc3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc32)C1,CFOZFMZJZHXIIF-UHFFFAOYSA-N
rxn:4:194730:223753,COC1CCN(C2CCc3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc32)CC1,VMMPCJCOQBCYGT-UHFFFAOYSA-N
rxn:4:194730:223867,COC1CCN(C2CCc3cc(-c4cccc(OCCCN5CCC(C)CC5)c4)ccc32)CC1,VMGYDEFKRGDJQQ-UHFFFAOYSA-N
rxn:4:194821:223638,CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1,VYANWTRZJDFLHC-UHFFFAOYSA-N
rxn:4:196496:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(C3CCCS3)ccn2)CC1,JXKQNBXVMGXGHE-UHFFFAOYSA-N
rxn:4:196633:223669,Cc1cc(N2C(=O)CSC2=S)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,HJELWGNCNYWOMT-UHFFFAOYSA-N
rxn:4:196933:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(F)cc(N4CCC(=O)CC4)c3)cc2)C1,ATROSZWQFYXOHD-UHFFFAOYSA-N
rxn:4:196998:223696,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1N1CCOCC1=O,YTFLGMDWWDKTCO-UHFFFAOYSA-N
rxn:4:197945:222589,OC1CCN(CCOc2ccc(-c3cccc4c3CCCC4N3CCCC3)cc2Cl)CC1,CBHYNIQXZDPKCV-UHFFFAOYSA-N
rxn:4:197958:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc4c3CCCC4N3CCOCC3)cc21,HSCMPGDLPMDSAT-UHFFFAOYSA-N
rxn:4:197991:224193,CCN1CCN(Cc2cc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)ccc2F)CC1,ZYRRNJNNCSFLFK-UHFFFAOYSA-N
rxn:4:197991:224195,CCN1CCN(Cc2cc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)ccc2Cl)CC1,WNEBQTFQINJJNC-UHFFFAOYSA-N
rxn:4:198013:225285,CC(=O)C1=C2CCCN2c2cc(-c3cnc(CC(C)C)c(C(F)(F)F)c3)ccc2S1(=O)=O,XCSQBCUOZJFLGW-UHFFFAOYSA-N
rxn:4:198014:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)c1,ZRPFSJSGTONTHA-RFBMOHSSSA-N
rxn:4:198014:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)c1,GFVFVXWZMDTIIJ-UHFFFAOYSA-N
rxn:4:199570:222799,Cc1cc(-c2cncc(OC[C@H]3CCN3C(=O)OC(C)(C)C)c2)ccc1S(=O)(=O)NC(C)(C)C,KEEDREMIHRGRBN-HXUWFJFHSA-N
rxn:4:199622:224191,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3OC)cc2)CC1,GGUGZGGJDXCMLQ-UHFFFAOYSA-N
rxn:4:199652:224604,Cc1nc2cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])c(F)cc2n1C(C)(C)C,VYMCTJBGABQLCT-UHFFFAOYSA-N
rxn:4:199685:223001,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCNC4)ccc3F)C2)cc1,AMQHVOXBSKWIBU-UHFFFAOYSA-N
rxn:4:199692:223649,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C#N)CC1,XSBLOFBONUCYON-UHFFFAOYSA-N
rxn:4:199693:223507,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1,STLSOTUZZBQVGH-UHFFFAOYSA-N
rxn:4:199707:227573,CCOc1cc(-c2cccc(SCC3CCCN(C(=O)OC(C)(C)C)C3)n2)cc(F)c1F,PTMPNVVGAFVXAQ-UHFFFAOYSA-N
rxn:4:199709:223533,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n2)CC1,OKEOLMVPIXZKJA-UHFFFAOYSA-N
rxn:4:199709:223928,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n2)CC1,RKLVNGMKPNVFOR-UHFFFAOYSA-N
rxn:4:199713:225975,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccnc(N2CCOCC2)c1Cl,PLOBKSYMPLMQMK-UHFFFAOYSA-N
rxn:4:199713:227413,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cnc(C2CCC2)cc1F,KJFGIURFWCRKEX-UHFFFAOYSA-N
rxn:4:199714:226765,COC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(F)c1F,DAAMXHMAVPDKJP-UHFFFAOYSA-N
rxn:4:199716:223889,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)CC1,BZYOZEFRSIGVIJ-UHFFFAOYSA-N
rxn:4:199716:225992,CC(C)Cn1cc(-c2cccnc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,PMRQPHMMSDQKQH-UHFFFAOYSA-N
rxn:4:199743:223104,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(NC(=O)C(F)(F)F)cc2)CC1,KKUCJHPCTDOSCD-UHFFFAOYSA-N
rxn:4:199743:223592,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,VMDAJNLMUCNHOP-UHFFFAOYSA-N
rxn:4:199763:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(CCN4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cn2)CC1,WOWQFVRFQNTJLP-UHFFFAOYSA-N
rxn:4:199764:223671,COC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,BZVSPKNJVZOQEM-UHFFFAOYSA-N
rxn:4:199766:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cn1,DSQMODPGUUPPCO-UHFFFAOYSA-N
rxn:4:199769:223505,COc1cc(Cl)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JKBGMBRBMWXDAK-UHFFFAOYSA-N
rxn:4:199770:228837,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C)c(Cl)c1F,COACWPZIPXKKDJ-UHFFFAOYSA-N
rxn:4:199784:223506,COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,DVHQDVFXKHYQQT-UHFFFAOYSA-N
rxn:4:199784:223579,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ZCSQEFUOVHFIDN-UHFFFAOYSA-N
rxn:4:199789:224327,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)CC2)ccn1,JBCCCPLAIUBFKO-UHFFFAOYSA-N
rxn:4:199790:224368,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,BGIDCFIIHYGWAP-UHFFFAOYSA-N
rxn:4:199809:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GQHAHMSCDLQLMI-UHFFFAOYSA-N
rxn:4:199811:225286,CC1CN(C(=O)Cc2cc(F)ccc2-c2cc(F)ncc2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,ZQNHLTAHLXPDJL-UHFFFAOYSA-N
rxn:4:199813:223595,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,LUWYASPEDACIIC-UHFFFAOYSA-N
rxn:4:199837:225223,COc1cccc(CN2CCN(Cc3ccc(OC)c(-c4cnc(N5CCC(C)CC5)cc4F)c3)CC2)c1,SNBWTZMNWYFNMB-UHFFFAOYSA-N
rxn:4:199839:223536,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HMGMJSWLURHSLN-OAQYLSRUSA-N
rxn:4:199839:228469,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc([N+](=O)[O-])cnc1C,OECLFMXTDJPFQR-OAHLLOKOSA-N
rxn:4:199840:223652,COc1ccc(Cl)c2cc(-c3ccc(C4CCCN4C(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)n(C(=O)OC(C)(C)C)c12,LSIBRRKNBPOTGN-UHFFFAOYSA-N
rxn:4:199842:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3C)c2)CC1,BAJAUBJGSBOLFR-UHFFFAOYSA-N
rxn:4:199863:222701,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,IHPAOAJGWCVMOJ-UHFFFAOYSA-N
rxn:4:199863:226643,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(N2CCOCC2)nc1,YAZRBSPLWQCENB-UHFFFAOYSA-N
rxn:4:199869:225879,CCCOc1ccc(-c2ccc(N3CCOCC3)cc2F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,REOOBYDDJLGXJA-UHFFFAOYSA-N
rxn:4:199870:223696,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,UGXXMQKJUDKGJC-UHFFFAOYSA-N
rxn:4:199870:224161,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,XZPQWBUSBBSHGF-UHFFFAOYSA-N
rxn:4:199870:226177,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccnc(C2CCCCC2)c1,SMEHZRHJKARNGB-UHFFFAOYSA-N
rxn:4:199883:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)C2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,ZMBGWMIIUVHODR-UHFFFAOYSA-N
rxn:4:199883:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c(Cl)c1,ZABFBYMEPNGPAR-UHFFFAOYSA-N
rxn:4:199883:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)cn2)CC1,CUZCXVWLAXKDIV-UHFFFAOYSA-N
rxn:4:199883:225233,CC1CCCN(c2cc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)cnc2Cl)C1,GXCYCPLQBQDVJE-UHFFFAOYSA-N
rxn:4:199916:224155,COc1cc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc2c1cnn2COCC[Si](C)(C)C,FFYVDHIIGDCFFZ-UHFFFAOYSA-N
rxn:4:200008:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)cc2)CC1,YLSFYHZPBDEWLZ-UHFFFAOYSA-N
rxn:4:200026:228314,CCOc1ncc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)cc1Cl,OSCYDNIGDFHUIU-UHFFFAOYSA-N
rxn:4:200366:224270,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c(C#N)c2)C1,LIKYOBGRTMDISN-UHFFFAOYSA-N
rxn:4:200366:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C#N)cnc1Cl,DOLYQBKTVDHUDD-UHFFFAOYSA-N
rxn:4:200369:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C#N)ccc3C3CN(C(=O)OC(C)(C)C)C3)cnc2C1,IGNDWCJJWSGHIV-UHFFFAOYSA-N
rxn:4:200369:224278,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)cc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)C1,DLXQMUWADLCTQT-UHFFFAOYSA-N
rxn:4:200371:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,QIMCPNPSZWZLDW-UHFFFAOYSA-N
rxn:4:200384:223658,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12)N1CC(N2C(=O)COC2=O)C1,XAAIXZRGKNIORG-UHFFFAOYSA-N
rxn:4:200384:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1CCC(=O)N1CC(N2C(=O)COC2=O)C1,ZUGRNYCMCMIRJP-UHFFFAOYSA-N
rxn:4:200384:225583,O=C(CCc1ccccc1-c1cccc(C(=O)N2CCCC2)c1)N1CC(N2C(=O)COC2=O)C1,FSAOBRVJFQOTIR-UHFFFAOYSA-N
rxn:4:200470:222589,CC1CCCCN1CCOc1ccc([N+](=O)[O-])cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,RPAMYXLWMKEVLM-UHFFFAOYSA-N
rxn:4:200470:225728,CCCCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2C)c(F)c1F,FPYIJZNIVLBRLU-UHFFFAOYSA-N
rxn:4:200470:225896,COCCOc1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2C)c(F)cc1F,IRAXPJJYIYDWMK-UHFFFAOYSA-N
rxn:4:200473:225869,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc(N4CCOCC4)c(Cl)c3)n2)C1,KPVFTYQMRBGRSN-GOSISDBHSA-N
rxn:4:200475:223835,COCCN1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2)CC1,OAMKEQQRQOEEAV-UHFFFAOYSA-N
rxn:4:200477:223885,COc1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1C1CN(C(=O)OC(C)(C)C)C1,HOSHAHNOOXORGN-UHFFFAOYSA-N
rxn:4:200541:223845,COc1ccc(C(=O)N2CCC(Oc3ncccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)C2)cc1F,WPIAXHGQLURCLY-UHFFFAOYSA-N
rxn:4:200559:223581,COC(=O)c1cccc2cc(-c3coc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,YHHQEIRNJSMZSA-UHFFFAOYSA-N
rxn:4:200562:222888,CCN1CCN(Cc2cc(C(=O)OC)ccc2-c2ccc(CN3CCNCC3)c(Cl)c2)CC1,WOKCPOFJZIJCHE-UHFFFAOYSA-N
rxn:4:200575:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)cc1,RXKJHODMEJWROM-UHFFFAOYSA-N
rxn:4:200603:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cncc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,IIIKOVSOZBIBBX-UHFFFAOYSA-N
rxn:4:200604:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cncc(O[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)cc1,RXDILPXUDXONFJ-GDLZYMKVSA-N
rxn:4:200604:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)C1,XWBKSLXZLFAGAM-JOCHJYFZSA-N
rxn:4:200649:223480,Cc1cc(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HGYJPUNYIQTCDX-UHFFFAOYSA-N
rxn:4:200652:226718,COc1nc(OC)c(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1SC,GSGUEPVSBLWRQL-UHFFFAOYSA-N
rxn:4:200654:227338,CC(C)Oc1ccc(F)c(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,PBGNNSWPPPJIIP-UHFFFAOYSA-N
rxn:4:200655:223491,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2C#N)CC1,OVOALSJROBSMOK-UHFFFAOYSA-N
rxn:4:200655:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,LJPFCXINSWSVTG-UHFFFAOYSA-N
rxn:4:200657:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C#N)c2)CC1,UFXTZSNFUDBTRZ-UHFFFAOYSA-N
rxn:4:200657:225829,CC1CCN(c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C#N)cn2)CC1,BMUZXOORLKVVMK-UHFFFAOYSA-N
rxn:4:200662:228174,CC(=O)Oc1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,GBKCDJHTVNBYJT-UHFFFAOYSA-N
rxn:4:200671:226853,COc1ccc(Cl)c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1[N+](=O)[O-],CDICDGYXWCLZCX-UHFFFAOYSA-N
rxn:4:200700:226089,CCN(CC)Cc1ccccc1-c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ABBOIHODLQNMQG-UHFFFAOYSA-N
rxn:4:200702:222720,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(N4CCNCC4)cc3C(F)(F)F)c2)CC1,CECXSXQKFYUQLT-UHFFFAOYSA-N
rxn:4:200706:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,OGYULXNSULPTAZ-UHFFFAOYSA-N
rxn:4:200708:223591,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c(F)c2)CC1,DZTKPXRUGUOKMN-UHFFFAOYSA-N
rxn:4:200708:223790,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c(F)c2)CC1,FCLWOZMYEXDWQP-UHFFFAOYSA-N
rxn:4:200708:223818,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c(F)c2)CC1,WWTMFSLWKKMNEW-UHFFFAOYSA-N
rxn:4:200708:224076,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c(F)c2)CC1,SHRRPEGTIXXDHS-UHFFFAOYSA-N
rxn:4:200709:226577,CN(C)C(=O)c1cc(Cl)cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,SPRCYHVRSCUQRT-UHFFFAOYSA-N
rxn:4:200711:225218,CC1CCCN(c2ncc(-c3cccc(F)c3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)C1,JXZLYXOLBPNAFG-UHFFFAOYSA-N
rxn:4:200713:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1F,AHGQHCPBRWNKMO-UHFFFAOYSA-N
rxn:4:200713:225450,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)C4CCCC4)cc3)c2F)CC1,NHIWMNDPUYQLJK-UHFFFAOYSA-N
rxn:4:200721:224372,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)c2)CC1,MYPAWVNLGJEURM-UHFFFAOYSA-N
rxn:4:200727:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,YBVFSVWACJCUJZ-UHFFFAOYSA-N
rxn:4:200727:224162,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2F)CC1,RENPESYMAMSICX-UHFFFAOYSA-N
rxn:4:200730:228214,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(C4CC4)cc3F)c2C(F)(F)F)CC1,HLAKQURAYYRKCR-UHFFFAOYSA-N
rxn:4:200734:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1S(=O)(=O)N1CCN(C)CC1,GSZXVTXQARGFLW-UHFFFAOYSA-N
rxn:4:200740:227385,Cc1nc(C(C)(C)C)ncc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F,OVXBJQKMEKNOQE-UHFFFAOYSA-N
rxn:4:200760:223928,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,WXONWNSKWVKXEK-UHFFFAOYSA-N
rxn:4:200763:224270,COc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc1C1CCN(C(=O)OC(C)(C)C)CC1,DCMHQYKGESBSCH-UHFFFAOYSA-N
rxn:4:200791:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1F,RIBLHZDEXNZCRV-KRWDZBQOSA-N
rxn:4:200797:223810,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,XRIKGGBMQXNYQI-UHFFFAOYSA-N
rxn:4:200813:223521,CC(c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HAZNOWUDOHCRHH-UHFFFAOYSA-N
rxn:4:200817:223929,CC(c1ccccc1-c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2)N1CCN(C(=O)OC(C)(C)C)CC1,NIAOUFSLNHYOAW-UHFFFAOYSA-N
rxn:4:200823:223500,Cc1cc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NDVIQPBWHDAIIR-UHFFFAOYSA-N
rxn:4:200824:223904,Cc1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LDGGKWJEEMAJKG-UHFFFAOYSA-N
rxn:4:200824:223935,Cc1ccc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QOXPEQVLJLFRGU-UHFFFAOYSA-N
rxn:4:200828:225281,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c(F)cc1F,YJDMGMNPVAFOOV-UHFFFAOYSA-N
rxn:4:200832:224316,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,YLKSPIFFROKUSK-UHFFFAOYSA-N
rxn:4:200832:224319,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,MNHAHILZQOZYGK-UHFFFAOYSA-N
rxn:4:200839:226164,COc1c(-c2ccc(N3CCCCC3)cc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,ZUCZWYXSPQJVEW-UHFFFAOYSA-N
rxn:4:200845:224986,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCCCC4)cc3C#N)cc(C3CC3)c2)CC1,WDKCRKJLLANIPJ-UHFFFAOYSA-N
rxn:4:200857:223938,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C,LBTIRDVIUXTFBG-HXUWFJFHSA-N
rxn:4:200866:223501,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,XIJGLSAABSFKRO-UHFFFAOYSA-N
rxn:4:200866:228218,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cc(C3CC3)ncc2F)c1,QXMBTAHFIHIECI-UHFFFAOYSA-N
rxn:4:200871:223592,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HNLLAZWBVJFTHD-UHFFFAOYSA-N
rxn:4:200882:228928,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cccnc3C(F)F)c1)C2,VVOJJFKTUPVSBS-UHFFFAOYSA-N
rxn:4:200891:225640,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(N4CCCCC4C)c3)cc2C)CC1,FBVJXAPKUFTEEL-UHFFFAOYSA-N
rxn:4:200892:222721,CCOc1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,OTHOMAHQYYLOTG-UHFFFAOYSA-N
rxn:4:200897:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(OC)c(S(=O)(=O)N4CCN(c5ccc(C)c(C)c5)CC4)cc3OC)c2)CC1,BZLDICBAUDXLGP-UHFFFAOYSA-N
rxn:4:201030:225873,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4cccc(N5CCOCC5=O)c4)ccc3oc2=O)CC1,QWWCSJYZYASUGK-UHFFFAOYSA-N
rxn:4:201109:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)N(CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)CO2,OMGXRQFAPPBLKX-UHFFFAOYSA-N
rxn:4:201144:223526,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc32)CC1,ZWVYDCFZYBFCEB-UHFFFAOYSA-N
rxn:4:201150:223530,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3C2)CC1,FAISUBFNGRWWOK-UHFFFAOYSA-N
rxn:4:201171:223956,O=C(N1CCN=C1SCc1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)cc1)C12CC3CC(CC(C3)C1)C2,TWEHLENDXYRWOZ-UHFFFAOYSA-N
rxn:4:201234:223606,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)[nH]c1C(F)(F)F,GRPWAKCOEYFWEN-UHFFFAOYSA-N
rxn:4:201296:223812,COC(=O)c1nc(OC)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],ITMLCHXHHLOQFY-UHFFFAOYSA-N
rxn:4:201576:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=N)(=O)CC(=O)N2CCC2)c1,GYHUENPHCIDIPR-UHFFFAOYSA-N
rxn:4:201577:224022,CC(=O)N1CCN=C1SCc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,KPWHDSJBKFTDLB-UHFFFAOYSA-N
rxn:4:201622:224830,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1,SKWOAZLMCQSPTB-UHFFFAOYSA-N
rxn:4:201646:224762,COC(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)nn1CC1CCOCC1,OHTSSFZDSIOKED-UHFFFAOYSA-N
rxn:4:201794:224280,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1,SDUNTCIUJGUGRE-UHFFFAOYSA-N
rxn:4:201798:225368,Cc1cc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)ccc1N1CCCC(C(=O)CC#N)C1=O,ZLBMSSBQHBAJMG-UHFFFAOYSA-N
rxn:4:201826:223786,CN1CCN(CCCOc2ccc(-c3ccccc3OCCN3CCN(C)CC3)cc2Cl)CC1,RBSSNNLXIBXIKO-UHFFFAOYSA-N
rxn:4:201908:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CC(CN5C(=O)CCC5=O)C4)cc3)c2)CC1,KFKZFTHIVJZEEM-UHFFFAOYSA-N
rxn:4:201923:225634,Cc1cc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)cnc1N1CCCCC1,QEEHHQOAJOMLNN-UHFFFAOYSA-N
rxn:4:201927:223578,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cs2)CC1,WGSMUNLBJAYSHR-UHFFFAOYSA-N
rxn:4:201927:225561,CC(C)(C)OC(=O)c1ccccc1-c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,SLGGHTJOIMHLNL-UHFFFAOYSA-N
rxn:4:201932:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,JMQPDUYASSOAOK-UHFFFAOYSA-N
rxn:4:201933:225195,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(F)c(OC4CCCCO4)c3)nc2)C1,QEJQTDUEEOBRFZ-UHFFFAOYSA-N
rxn:4:201937:223970,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,LSHZGRWGKLDSKA-UHFFFAOYSA-N
rxn:4:201946:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)nc2)c1,PHVOPZQESXFFTM-UHFFFAOYSA-N
rxn:4:201958:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1F,VRBLBMYEBXJVKT-UHFFFAOYSA-N
rxn:4:201989:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,JWZDJDIBGPWJNE-DUYHBEBVSA-N
rxn:4:201996:223521,CC(c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,OIWICAPCDXULKA-UHFFFAOYSA-N
rxn:4:201996:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)CC1,CFEHLXZNFYCFPP-UHFFFAOYSA-N
rxn:4:201996:224279,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)C1,LBHDENFCJNDHIM-UHFFFAOYSA-N
rxn:4:202001:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cn2)C1,JQTYDQZCIFQVIL-UHFFFAOYSA-N
rxn:4:202002:223892,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)ccc2OC)CC1,CWFCIYSJIHOFES-UHFFFAOYSA-N
rxn:4:202011:222944,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cn2)C1,ZKBVLOCPLQQEJD-UHFFFAOYSA-N
rxn:4:202011:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2Cl)CC1,WHAMRLZUBYQBJM-UHFFFAOYSA-N
rxn:4:202011:225233,CC1CCCN(c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cnc2Cl)C1,DYHUZRYCAXSVPE-UHFFFAOYSA-N
rxn:4:202011:225338,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(F)c(COCC(F)(F)F)c3)cn2)C1,LWVZKWUKDFRIRW-UHFFFAOYSA-N
rxn:4:202011:226714,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cn2)C1,AQRKTNWYPPTNIB-UHFFFAOYSA-N
rxn:4:202015:222623,CCC(C)c1cc(-c2cnc(N3CCOCC3)c(C(=O)OC(C)(C)C)c2)cc(C2CCNCC2)n1,HEFHAQOZAVYVMV-UHFFFAOYSA-N
rxn:4:202022:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cc2F)CC1,NEUGSWMWYPWIPS-UHFFFAOYSA-N
rxn:4:202068:225183,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1ccc(OC2CCCCC2)nc1F,DIYKVESULTVRME-UHFFFAOYSA-N
rxn:4:202072:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)s2)CC1,MGSFAFZNVHNXIN-UHFFFAOYSA-N
rxn:4:202073:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3=O)c(F)cn2)CC1,BKTOYCASWSKIJP-UHFFFAOYSA-N
rxn:4:202083:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4Cl)CC3)cc2)cc(C2CCNCC2)n1,BVRYCUJHIKKFLX-UHFFFAOYSA-N
rxn:4:202083:224820,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4Cl)CC3)cc2)c1)N1CCOCC1,VWRZANKRASJNQS-UHFFFAOYSA-N
rxn:4:202086:222621,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cc(CC(C)C)nc(C4CCCNC4)c3)C2)ccc1F,GNWBWGIJKXKKFI-UHFFFAOYSA-N
rxn:4:202095:225833,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(N2CCCCC2)c1F,CXNSWQNNJFABSS-UHFFFAOYSA-N
rxn:4:202095:226021,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(Cl)ccc1OCC(F)(F)F,PPCYVPDKAWHCPT-UHFFFAOYSA-N
rxn:4:202107:225899,Cc1cc(-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)n(C(=O)OC(C)(C)C)n1,UWWFYICHLLKWND-UHFFFAOYSA-N
rxn:4:202115:225233,CC1CCCN(c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3)cnc2Cl)C1,AYPJCHQDIVRTQY-UHFFFAOYSA-N
rxn:4:202116:224271,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cn2)C1,NUQGYGCQIHQQJU-UHFFFAOYSA-N
rxn:4:202126:222809,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)ncc1NC(=O)OC(C)(C)C,MBDQMTRVEGTXHC-UHFFFAOYSA-N
rxn:4:202127:223502,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,MBHNLZWWWYUNKS-UHFFFAOYSA-N
rxn:4:202128:223637,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2Cl)CC1,CZEKHUZOENEGDY-UHFFFAOYSA-N
rxn:4:202130:225947,CN1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)cn2)CC1,ADSGJMWCLGIYQZ-UHFFFAOYSA-N
rxn:4:202133:223520,CC(c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RFYSXMMQXJEXGH-UHFFFAOYSA-N
rxn:4:202133:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,DJAHSEUPHLPLBC-UHFFFAOYSA-N
rxn:4:202156:224818,O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,BVAKDWUVOZBKDG-UHFFFAOYSA-N
rxn:4:202161:223561,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)cc1,LETHDNGYUWRBEZ-UHFFFAOYSA-N
rxn:4:202161:223646,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1,FJHZJJVAFOCHLP-UHFFFAOYSA-N
rxn:4:202161:224974,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccccc1CN1CCN(C)CC1,KWLAFGSYKDTSPD-UHFFFAOYSA-N
rxn:4:202164:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(OC)cc3C)c(F)c2)CC1,APKNVRUWAXHYPW-YHBQERECSA-N
rxn:4:202175:223061,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1)N1CCOCC1,ZIGDNBAIFIMQML-UHFFFAOYSA-N
rxn:4:202175:224658,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4C(=O)N4CCOCC4)cc3)cc2)CC1,IJWFULOOXXEDAS-UHFFFAOYSA-N
rxn:4:202209:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2OC)cc(C2CCCNC2)n1,UGRFASYCMUZFNB-UHFFFAOYSA-N
rxn:4:202212:224320,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)C2)cc1C,MBLPMMJRIYEQAG-UHFFFAOYSA-N
rxn:4:202222:223533,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1,CXJAKBROBRHGKG-UHFFFAOYSA-N
rxn:4:202222:223975,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)c1,BZVSVEGVEWSRMI-UHFFFAOYSA-N
rxn:4:202234:222791,Cc1c(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,YAUDZOPPOLKNJZ-UHFFFAOYSA-N
rxn:4:202234:223595,Cc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,YAGYDFMQIWPUAW-UHFFFAOYSA-N
rxn:4:202234:224059,COc1c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc(C(C)(C)C)cc1C(C)(C)C,SKXDWAJDMUIWIY-UHFFFAOYSA-N
rxn:4:202236:223507,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,WJIBMEMOABJHDN-UHFFFAOYSA-N
rxn:4:202247:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)c(F)c3)cc2)CC1,DHQLFPYDQDXRQM-UHFFFAOYSA-N
rxn:4:202295:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)c(OC)c1,JNODIJJEVWGEFU-UHFFFAOYSA-N
rxn:4:202301:223481,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)CC2)c1,HMZSMFNKDOHCNZ-UHFFFAOYSA-N
rxn:4:202306:222541,CCN1CCN(Cc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,SSBMACDXYABGEW-UHFFFAOYSA-N
rxn:4:202306:222888,CCN1CCN(Cc2cc(-c3ccc(CN4CCNCC4)c(Cl)c3)cc(C(C)(C)C)c2)CC1,IDXFWYYDZFGYER-UHFFFAOYSA-N
rxn:4:202306:222889,CCN1CCN(Cc2cc(-c3cc(F)cc(CN4CCNCC4)c3)cc(C(C)(C)C)c2)CC1,GKLCUJOQVPDCSR-UHFFFAOYSA-N
rxn:4:202306:224598,CCN1CCN(Cc2cc(-c3ccc(N4CCC(C)CC4)cc3OC)cc(C(C)(C)C)c2)CC1,COTLADWUINROSZ-UHFFFAOYSA-N
rxn:4:202306:225112,CCOc1cc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)cc(Cl)c1OC(C)C,APLZURNOFDGOOP-UHFFFAOYSA-N
rxn:4:202318:222722,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3)oc2N2CCOCC2)cc1,QODUAWIXHUGWKB-UHFFFAOYSA-N
rxn:4:202331:224818,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,MZTJBRJONHERKY-UHFFFAOYSA-N
rxn:4:202341:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,ORSJEZLCXUXRHM-UHFFFAOYSA-N
rxn:4:202341:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,QMYMUDYIVXRZIK-KWQFAZJVSA-N
rxn:4:202412:224399,CCOC(=O)Cc1nc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)n2c1COCC2,SAIYWIMFEGTPAI-UHFFFAOYSA-N
rxn:4:202564:222802,Cc1ccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)c(S(=O)(=O)NC(C)(C)C)c1,OOUUOEUNYRPLCM-UHFFFAOYSA-N
rxn:4:202564:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C4=O)cc2F)CC1,VEMIEJHWLCOSLX-UHFFFAOYSA-N
rxn:4:202592:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1c(CO[Si](C)(C)C(C)(C)C)nn2c1CCC2,XSZZZWBSDYTANP-UHFFFAOYSA-N
rxn:4:202712:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)c2)CC1,CSAZAPORVDRNKP-MHZLTWQESA-N
rxn:4:202712:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)c2F)C1,FQNKAZYZIIVKBM-QHCPKHFHSA-N
rxn:4:202713:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C3=O)c(F)c1,DTCUNWAOYLWMAL-UHFFFAOYSA-N
rxn:4:202754:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CCCN2C1CCN(C(=O)OC(C)(C)C)CC1,PQRBHLCWGJVENB-UHFFFAOYSA-N
rxn:4:203545:225188,O=C(c1ccc(-c2ccc(Cl)c(CN3CCOCC3)c2)o1)N1CC(N2C(=O)CSC2=O)C1,NBZSIBLEWWODAN-UHFFFAOYSA-N
rxn:4:203709:224394,Cc1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc1S(=O)(=O)N1CCOCC1,FCCCNWYIAVRXNR-UHFFFAOYSA-N
rxn:4:203753:225294,CCN1CCN(c2ncc(-c3ccc(N4CCC(F)(F)CC4)nc3C(=O)OC)cn2)CC1,GTLWDHGDYUQGED-UHFFFAOYSA-N
rxn:4:203833:225833,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)o1)N1CCC(N2C(=O)CSC2=O)CC1,YTYZBYPWNPQKIV-UHFFFAOYSA-N
rxn:4:203904:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(OC)c(F)c(C(=O)N2CCN(C)CC2)c1,DCZAGCCYPUTBOT-UHFFFAOYSA-N
rxn:4:203907:223695,CN1CCN(Cc2cc(C(F)(F)F)ccc2-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,JZSXBPMNSHLPMB-UHFFFAOYSA-N
rxn:4:203920:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OC)cc2)CC1,XLUSPGFISHPUDX-SOAUALDESA-N
rxn:4:203937:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)c(Cl)c1,RUBLZMGCNRGLLC-UHFFFAOYSA-N
rxn:4:203972:224391,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)c(C)c2)CC1,YYGDQVDUYHZNDG-UHFFFAOYSA-N
rxn:4:203977:224754,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCCCC1)N1CCC(N2C(=O)CSC2=O)CC1,RERWIEAODDRVMU-UHFFFAOYSA-N
rxn:4:203985:227233,COc1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1CC#N,QNNZTFATSBUUNJ-UHFFFAOYSA-N
rxn:4:203985:227404,O=C(c1ccccc1-c1cc(N2CCCCC2)cs1)N1CCC(N2C(=O)COC2=O)CC1,OCCMXVJSSPPQKA-UHFFFAOYSA-N
rxn:4:203987:223386,O=C(c1cc(-c2cc(/C=N/O)ccc2Cl)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,JSSFMNWZOFQSAD-OPEKNORGSA-N
rxn:4:203987:225159,O=C(c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1)N1CCOCC1,CCRZXWSBTQKQCS-UHFFFAOYSA-N
rxn:4:203987:226411,O=C(c1cc(-c2ccc(N3CCOCC3)cc2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,JACWSCGRAKHXOZ-UHFFFAOYSA-N
rxn:4:203987:226999,CCCC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1,JLMZEYZLISSPTM-UHFFFAOYSA-N
rxn:4:203987:227044,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1)C1CC1,CITDCKXBJMEUNJ-UHFFFAOYSA-N
rxn:4:203987:228174,CC(=O)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1,LDRGVDWRQXZPQV-UHFFFAOYSA-N
rxn:4:204026:223952,CN1CCN(CCOc2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cc2Cl)CC1,VFXHXHPHDCGTJR-UHFFFAOYSA-N
rxn:4:204026:225188,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(Cl)c(CN3CCOCC3)c2)CC1,SARZOZWZFGPZRP-UHFFFAOYSA-N
rxn:4:204046:223177,CS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,VDFJTJFAIHDAQV-UHFFFAOYSA-N
rxn:4:204046:223347,O=C1NCc2c1cccc2-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1,DWVNEEWMAPCTSI-UHFFFAOYSA-N
rxn:4:204066:223728,CCCCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,NMYXOYOFYJOTBY-UHFFFAOYSA-N
rxn:4:204066:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,RWVRCOTXNCAPNK-YHBQERECSA-N
rxn:4:204066:225336,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(COCC(F)(F)F)cc2F)c1,RCVBXVCCYLRSBQ-UHFFFAOYSA-N
rxn:4:204082:222409,COc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1S(N)(=O)=O,VUUJCOJQAFAVCS-UHFFFAOYSA-N
rxn:4:204082:223077,O=C(c1cccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,NYMDYEDMQYRWNT-UHFFFAOYSA-N
rxn:4:204082:227131,O=C(c1cccc(-c2cccc(C3CCOC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,UKAZCHNMMBTKHH-UHFFFAOYSA-N
rxn:4:204082:228253,CP(C)(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1,GLCQQJOQWDSBGO-UHFFFAOYSA-N
rxn:4:204082:228343,COC(=O)c1sc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1C,BBSIMWUZJFVLKI-UHFFFAOYSA-N
rxn:4:204092:223894,Cc1cc(-c2cccc(OCCCN3CCN(C)CC3)c2)ccc1CN1CCC(N(C)C)CC1,YHYDKCZTXTUVAX-UHFFFAOYSA-N
rxn:4:204099:225715,COCCOCc1cc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)ccc1F,SBGDHZIYZISIQO-UHFFFAOYSA-N
rxn:4:204099:225716,COCCOCc1cc(F)ccc1-c1ccc(CN2CCOCC2)c(N2CCOCC2)c1,YJHBFRDHEGHTJQ-UHFFFAOYSA-N
rxn:4:204099:225717,COCCOCc1ccc(F)cc1-c1ccc(CN2CCOCC2)c(N2CCOCC2)c1,CBHQFOYFKWCPQC-UHFFFAOYSA-N
rxn:4:204102:223835,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2C)CC1,CDVHEOSWYMMYMT-UHFFFAOYSA-N
rxn:4:204109:222795,O=C(Nc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1)N1CCOCC1,LTQROXRRBXSGRH-UHFFFAOYSA-N
rxn:4:204109:222956,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c(C2CCCNC2)c1,ZRXZSSYWVZXYQY-UHFFFAOYSA-N
rxn:4:204109:222960,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(C2CCNCC2)c1,BCSMAFKNHVPSIR-UHFFFAOYSA-N
rxn:4:204109:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)CC1,WTLQABKTETZXSS-UHFFFAOYSA-N
rxn:4:204109:228458,CSc1ncc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c(SC)n1,MQDZHBAPSZAHAJ-UHFFFAOYSA-N
rxn:4:204140:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,WBBQTDHDOCXXJY-UHFFFAOYSA-N
rxn:4:204140:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,WBBQTDHDOCXXJY-FBSWEULCSA-N
rxn:4:204140:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,KKMNJUOACONDLA-DUYHBEBVSA-N
rxn:4:204153:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1C,CHLAWAPKVROKJT-UHFFFAOYSA-N
rxn:4:204157:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(c5c(C)cccc5C)CC4)cc3)c(F)c2)CC1,GKYZSHUEPQXBTR-UHFFFAOYSA-N
rxn:4:204168:222851,CCc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)cc(C2CCNCC2)n1,UHZBOUZMOCBHDI-UHFFFAOYSA-N
rxn:4:204170:225711,COC(COc1ccc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)cc1)OC,YKFCDFURQDMTCK-UHFFFAOYSA-N
rxn:4:204180:225743,COC(=O)Cc1ccc(OC)c(-c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(C)cc2C)c1,TVVFHSLFOUEVRG-UHFFFAOYSA-N
rxn:4:204183:222950,CONS(=O)(=O)c1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)ccc1OC,IQGJKYBQUMZMDJ-UHFFFAOYSA-N
rxn:4:204603:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cncc2c1CCN(C(=O)OC(C)(C)C)C2,OHZJQTFXHHYBIC-UHFFFAOYSA-N
rxn:4:204644:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)CC1,MPJLXZWXBSEWQY-UHFFFAOYSA-N
rxn:4:204682:223520,Cc1cc2c(c(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n1)CN(C(=O)OC(C)(C)C)CC2,MYKHVRLLTRVPMN-UHFFFAOYSA-N
rxn:4:204682:224081,Cc1cc2c(c(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)n1)CN(C(=O)OC(C)(C)C)CC2,OZDPSDAOKJYRPT-UHFFFAOYSA-N
rxn:4:204751:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cccc(N4C(=NC(=O)c5ccccc5)SC5CS(=O)(=O)CC54)c3)ccc21,BBCTZQYFHVWIOV-UHFFFAOYSA-N
rxn:4:204780:223201,O=S(=O)(c1ccc(-c2ccccc2C2CCNC2)cc1)N1CC(N2CC3CCCC3C2)C1,ZEKHTBKJSVHVDH-UHFFFAOYSA-N
rxn:4:204780:225946,CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc(C(F)(F)F)c1,XWSYQLHSCWAKES-UHFFFAOYSA-N
rxn:4:204871:222629,Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(-c5cc(C6CCCNC6)nc(C(C)(C)C)c5)cc4)C3C2=O)cc1,ZUXBTOBCZKHMOS-UHFFFAOYSA-N
rxn:4:204872:223670,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cccnc5N5CCN(C(=O)OC(C)(C)C)CC5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,RFVCZFVEAZDBAB-UHFFFAOYSA-N
rxn:4:205517:223696,CC(C)c1[nH]nc(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,OLFRVYOMPPXLEH-UHFFFAOYSA-N
rxn:4:205824:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc([N+](=O)[O-])ccc2N2C(=O)C=CC2=O)CC1,FQVYDXLSCXMNPU-UHFFFAOYSA-N
rxn:4:206037:223823,COc1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCCO1,MMXIPLQCUWGULD-UHFFFAOYSA-N
rxn:4:206153:223539,CCc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc(C(C)C)n1,ZDVNOQOUGWOLHT-UHFFFAOYSA-N
rxn:4:206440:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2)CC1,XLTNJPDGNMANLQ-UHFFFAOYSA-N
rxn:4:206501:223697,Cc1nc(OC2CCCC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,RXTOTEPCBOVPOK-UHFFFAOYSA-N
rxn:4:206524:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,SAPOMABZZCGDRW-UHFFFAOYSA-N
rxn:4:206524:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,RFTFITDTKNJHIN-UHFFFAOYSA-N
rxn:4:206797:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,RJKDFPQEYHVKQA-UHFFFAOYSA-N
rxn:4:206814:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2C(=O)CC(=O)N(C3CC3)C2=O)cc1,YGRKQDGZDHNAOD-UHFFFAOYSA-N
rxn:4:206941:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(N4N=C(C(C)(C)C)CC4=O)cc3)c2)CC1,NJNTYDSLWBFIFI-UHFFFAOYSA-N
rxn:4:206944:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cn3)c2)CC1,VCVWDNDRKNBPLI-UHFFFAOYSA-N
rxn:4:206957:223481,CC1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2)CC1,IXAMYONJIWLGDK-UHFFFAOYSA-N
rxn:4:206957:223810,Cc1cc(-c2cncc(S(=O)(=O)N3CCC(C)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,CNVDSYBPJRVTMP-UHFFFAOYSA-N
rxn:4:206959:224403,CS(=O)(=O)N1CCN(c2cccc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)c2)CC1,YQMDLUIEYMMQCL-UHFFFAOYSA-N
rxn:4:206960:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)ccc21,KTAYTHQBKKAFKC-UHFFFAOYSA-N
rxn:4:207024:222465,Cc1c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)ccc(C(=O)N2CCN(C)CC2)c1F,JSTXCAAUNDFEML-UHFFFAOYSA-N
rxn:4:207028:223480,Cc1cc(-c2cccc(C3CCCN(C(C)C)C3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UTKPDJVTWLMLLO-UHFFFAOYSA-N
rxn:4:207450:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(=O)n(CC5CC5)cnc4c3)cc(C(F)(F)F)c2)CC1,BFJPGRVWSAIWPP-UHFFFAOYSA-N
rxn:4:207450:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(=O)n(CC3CC3)cnc2c1,BQKRDKHUJKVWCZ-UHFFFAOYSA-N
rxn:4:207843:223786,CCN1CCN(C2CCCc3cc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)ccc32)CC1,ICVXRGIKWXJKMF-UHFFFAOYSA-N
rxn:4:207843:224741,CCN1CCN(C2CCCc3cc(-c4c(OC)cc(C5OCCO5)cc4OC)ccc32)CC1,GBYDOGCUYOUVGG-UHFFFAOYSA-N
rxn:4:207843:225364,CCN1CCN(C2CCCc3cc(-c4cc(S(=O)(=O)N(C)C)c(C)cc4F)ccc32)CC1,VSOVTTJKMSGKKD-UHFFFAOYSA-N
rxn:4:207852:222848,CCc1cc(-c2ccc(N3C(=O)N(c4ccccc4C)C4CS(=O)(=O)CC43)cc2)cc(C2CCCNC2)n1,FYFXFSKHFMMYBY-UHFFFAOYSA-N
rxn:4:207890:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cnn(CC23CC4CC(CC(C4)C2)C3)c1C,PGXVZUREUNEIEP-UHFFFAOYSA-N
rxn:4:207946:226374,COc1cc(-c2cncnc2C2CCCCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,QWQCITMWPJLQCF-UHFFFAOYSA-N
rxn:4:207965:223144,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCC(O)C5)cc4)ccc2OC32CCC(C)CC2)cc1,NPIRVTUWJKVFTL-UHFFFAOYSA-N
rxn:4:207965:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCC(C)CC1)O2,WMWHALRUPFDHQB-UHFFFAOYSA-N
rxn:4:207965:226297,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(COC(C)C)c4)ccc2OC32CCC(C)CC2)cc1,KSLAUIMKFDNPRV-UHFFFAOYSA-N
rxn:4:208330:223539,COc1ccc(-c2c(C(F)(F)F)ncn2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,GAKARRDIQXWQPX-UHFFFAOYSA-N
rxn:4:209494:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2csc(N3CCS(=O)(=O)CC3)n2)CC1,VAOPQPKFVSBWKI-UHFFFAOYSA-N
rxn:4:209716:223506,Cc1nn(C2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QILCALYSLLKCAR-UHFFFAOYSA-N
rxn:4:209812:223608,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cnn1C1CCS(=O)(=O)CC1,ZLAKBWSXXQYVLQ-UHFFFAOYSA-N
rxn:4:209821:223697,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)ccn2)CC1,FZFKBMVBRWHGBS-UHFFFAOYSA-N
rxn:4:209837:223823,CC1CCN(c2cccnc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,QGKYBQJHGFEVLF-UHFFFAOYSA-N
rxn:4:211024:223502,Cc1nn(C2CCCCO2)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc12,YJOHJICAUZHTFR-UHFFFAOYSA-N
rxn:4:211089:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,ZROXRUPZXBRNBJ-UHFFFAOYSA-N
rxn:4:211869:223490,Cc1ccc(-c2cc3n(n2)CCOC3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JZVLCSJHCFJXLD-UHFFFAOYSA-N
rxn:4:212234:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc4c(c3)CN=S4(C)=O)ccc2F)CC1,BAHQFXMKRAERBR-UHFFFAOYSA-N
rxn:4:212234:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(c3)CN=S4(C)=O)cc2)CC1,XAEXWRIQBAUTSC-UHFFFAOYSA-N
rxn:4:212400:223606,CC1(C)Cn2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2CO1,SIESMKSXGJMKGU-UHFFFAOYSA-N
rxn:4:212515:225187,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cc(Cl)ccc1CN1CCOCC1,XELAAARNVDDUCA-UHFFFAOYSA-N
rxn:4:212541:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cncc(OCC2CN(C(=O)OC(C)(C)C)C2)n1,VLNMSIREYBLYGX-UHFFFAOYSA-N
rxn:4:212559:224820,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,XAWKOGWDICLBLP-UHFFFAOYSA-N
rxn:4:212571:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cn(C)nc1OCC1CN(C(=O)OC(C)(C)C)C1,IKKMNZRGSGFKMQ-UHFFFAOYSA-N
rxn:4:212605:222791,Cn1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,CNCVMIXEFAYCBD-UHFFFAOYSA-N
rxn:4:212605:225303,Cn1cc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,FDJGHOPNGKDPGP-UHFFFAOYSA-N
rxn:4:212614:222394,COC(=O)c1cn(Cc2cccc(-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)c2)nc1S(=O)(=O)N1CCCC1,VFDKGLZEOAQXOF-SOAUALDESA-N
rxn:4:212619:226896,COCn1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c(C(F)(F)F)n1,KELDDWHFVNHTBE-UHFFFAOYSA-N
rxn:4:212652:223579,COC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,GBVVLKGOXYFXIZ-UHFFFAOYSA-N
rxn:4:212652:223596,COC(=O)c1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,BZQUDOKATBICSE-UHFFFAOYSA-N
rxn:4:212655:223528,COC(=O)c1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZUUVRTULVLLCJZ-UHFFFAOYSA-N
rxn:4:212675:225561,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],JAKGVNGITYNZPU-UHFFFAOYSA-N
rxn:4:212691:225947,CN1CCN(c2ncc(-c3ccc(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,NRUIBPRMHYZOOG-UHFFFAOYSA-N
rxn:4:212692:223637,CC1CN(C(=O)Cc2cncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)CCN1C(=O)OC(C)(C)C,IZDMQVAUZWDNMI-UHFFFAOYSA-N
rxn:4:212693:222929,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)c1,KFWKMIGZLSNRHK-UHFFFAOYSA-N
rxn:4:212744:228225,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(Cl)cnc3C3CC3)c2)CC1,NFKBVZPNQFFYIJ-UHFFFAOYSA-N
rxn:4:212747:226235,CCCCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)c(C)n1,KQRORFQTAIWZAM-UHFFFAOYSA-N
rxn:4:212750:223883,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1N1CCCCC1,NKNNANFXEVTLMQ-UHFFFAOYSA-N
rxn:4:212770:222395,CCOC(=O)c1nn2c(c1-c1cccc(C(=O)NC3CCC(O)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,ULYXZMNSFSZPSD-UHFFFAOYSA-N
rxn:4:212770:223506,CCOC(=O)c1nn2c(c1-c1cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,YELLECMDBIPMOM-UHFFFAOYSA-N
rxn:4:212770:223683,CCOC(=O)c1nn2c(c1-c1cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc1)CN(C(=O)OC(C)(C)C)CC2,CVNWSDVYMJVTGA-UHFFFAOYSA-N
rxn:4:212770:228063,CCOC(=O)c1nn2c(c1-c1cnc3c(c1)COCC3)CN(C(=O)OC(C)(C)C)CC2,QULRTSKOCGZURN-UHFFFAOYSA-N
rxn:4:212804:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)c2)CC1,JTESLKUXSUBVBL-UHFFFAOYSA-N
rxn:4:212829:223883,CN(C(=O)c1cc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,KIEJMUGMHPJCHE-UHFFFAOYSA-N
rxn:4:212829:225911,COC(=O)c1cc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)c(Cl)cc1OC,MGJXVIRYEKELCM-UHFFFAOYSA-N
rxn:4:212830:223652,COc1ccc(Cl)c2cc(-c3ccc4[nH]c(C(=O)N(C)[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)cc4c3)n(C(=O)OC(C)(C)C)c12,VQQCENXLXXPAHH-JOCHJYFZSA-N
rxn:4:212919:224746,CCOC(=O)c1c(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c(CN2CCCC2)nn1C,KKWLAFVNIKMUEX-UHFFFAOYSA-N
rxn:4:212923:224157,CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cn2)C1,ALXQBDVAQRIGKI-UHFFFAOYSA-N
rxn:4:212939:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cnc(CC2CN(C(=O)OC(C)(C)C)C2)nc1,OUZBDSHWGJZTOW-UHFFFAOYSA-N
rxn:4:212939:223761,CC(C)(C)OC(=O)N1CC(Cc2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cn2)C1,KMNBSBWXSSPTKS-UHFFFAOYSA-N
rxn:4:212963:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(OC2CCN(C(=O)OC(C)(C)C)C2)n1,ZWXMXJNNAGSSNL-UHFFFAOYSA-N
rxn:4:212964:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,CTXSISSAEOJAFB-UHFFFAOYSA-N
rxn:4:212966:223818,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)C1,LWHFMQPRINHQLK-UHFFFAOYSA-N
rxn:4:212966:224356,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1,SZXNZHQKJKNNDY-UHFFFAOYSA-N
rxn:4:213010:225990,CCCCn1nc(C(F)(F)F)cc1-c1cnn(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1,BDYUKQOHNOVPNC-INIZCTEOSA-N
rxn:4:213039:225911,COC(=O)c1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)cc1OC,IRFZFGYNWUSDGL-UHFFFAOYSA-N
rxn:4:213040:222769,Cc1nc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,JBUFKPBANZARMQ-UHFFFAOYSA-N
rxn:4:213040:223492,Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)c(C)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZJUPFZBHNRIQOF-UHFFFAOYSA-N
rxn:4:213040:223660,Cc1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,ULEJFSWMLSJCMD-UHFFFAOYSA-N
rxn:4:213043:223480,Cc1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DNDJFJRSXRTZBS-UHFFFAOYSA-N
rxn:4:213048:222718,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cn3)C2)cc1C,IEYUOZOPPXQJHT-UHFFFAOYSA-N
rxn:4:213078:224290,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)c2C(F)F)CC1,AGXIYAWOIVSLJU-UHFFFAOYSA-N
rxn:4:213078:226655,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(Cl)cnc3N3CCCC3)c2C(F)F)CC1,IOYZUTZQFBQKDY-UHFFFAOYSA-N
rxn:4:213081:225218,CC1CCCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cc2Cl)C1,HVAFQXAPUOMOKS-UHFFFAOYSA-N
rxn:4:213093:224278,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c(C#N)c2)CC1,RMXCHYFLPLHJDA-UHFFFAOYSA-N
rxn:4:213097:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1,APGXGNDHFHEPLJ-UHFFFAOYSA-N
rxn:4:213097:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)CC1,DPJGVPBJFQLZQK-UHFFFAOYSA-N
rxn:4:213127:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,JMOIBUYDAMIESW-UHFFFAOYSA-N
rxn:4:213127:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,RAAMEOVLVVGKNE-UHFFFAOYSA-N
rxn:4:213128:223928,COc1nc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cn1C1CCCN(C(=O)OC(C)(C)C)C1,QGSFPGFOFNXGMJ-UHFFFAOYSA-N
rxn:4:213129:223593,COc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,LQQPTAILEKXRHI-UHFFFAOYSA-N
rxn:4:213129:226371,COc1nc(-c2cnc(N3CCCC3)cc2C)cn1C1CCN(C(=O)OC(C)(C)C)CC1,BNIZLNXSOPSMSK-UHFFFAOYSA-N
rxn:4:213130:223788,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,GOTCFLRTQABZFY-UHFFFAOYSA-N
rxn:4:213133:226722,COC(=O)c1cc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)cnc1OC,NPDJNEGQEWKOKW-UHFFFAOYSA-N
rxn:4:213136:227390,c1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)n(C2CCCCC2)n1,NVXHDGWHSLTNNA-UHFFFAOYSA-N
rxn:4:213147:222466,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,QUXMYXXGFJBPGS-UHFFFAOYSA-N
rxn:4:213147:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,QTBXEHUGDBPIFM-UHFFFAOYSA-N
rxn:4:213150:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,BWZHPESDHPZYRO-UHFFFAOYSA-N
rxn:4:213160:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccccc3OC)CC2)nc1,IFXVLEPTXQGSEI-UHFFFAOYSA-N
rxn:4:213168:223945,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cc3)nn2)CC1,RJKBXZKWGGVOLB-UHFFFAOYSA-N
rxn:4:213191:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,ZFIIZBUIIHGQOO-UHFFFAOYSA-N
rxn:4:213217:223651,CCN1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2C(=O)OC(C)(C)C)CC1,XVJHFHVFMCGXAM-UHFFFAOYSA-N
rxn:4:213220:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c([N+](=O)[O-])c1,JZXYAMJOMHSXQO-UHFFFAOYSA-N
rxn:4:213225:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)c1,IDGBANVYPPUIJC-GEVKEYJPSA-N
rxn:4:213226:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)ccc2Cl)CC1,AUNLKICIQZARES-NDEPHWFRSA-N
rxn:4:213258:228458,CSc1ncc(-c2c(C)nn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2C)c(SC)n1,LLTZZPYAOKLXCY-UHFFFAOYSA-N
rxn:4:213260:225294,CCN1CCN(c2ncc(-c3cnc(OCC4CCCN(CC5CCS(=O)(=O)CC5)C4)nc3)cn2)CC1,AYPLLYXKCSKYFC-UHFFFAOYSA-N
rxn:4:213260:228867,CCc1nc(OC)c(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)s1,SNGIWLJZZYQULB-UHFFFAOYSA-N
rxn:4:213260:229146,COCn1cc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cn1,RESUMAJBLRFPOL-UHFFFAOYSA-N
rxn:4:213271:229091,COc1ccc(-c2ccoc2C(C)=O)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,REVHUOPUYKCAFB-UHFFFAOYSA-N
rxn:4:213289:223578,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cnc(N3CCCCC3)nc2OCc2ccccc2)CC1,UZYZMMNSMUKAGU-UHFFFAOYSA-N
rxn:4:213289:224274,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc3cnccc3n2C(=O)OC(C)(C)C)CC1,RNWWDDYXTYRKNY-UHFFFAOYSA-N
rxn:4:213320:222646,COC(=O)c1nc(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)n2c1CN(C(=O)OC(C)(C)C)CC2,PBBQLNFNGQQVHT-UHFFFAOYSA-N
rxn:4:213428:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)ccc2c1,DZFDTPHQYDOJDN-LJAQVGFWSA-N
rxn:4:213458:226469,COc1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,WNNDCGMXPIFIMU-JJEZKPMQSA-N
rxn:4:213474:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc2[N+](=O)[O-])CC1,HDUHJZHYGLBKBA-DHUJRADRSA-N
rxn:4:213476:227949,Cc1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc(C)c1C#N,LZGLWMIGYPXDHS-LQXOQFPCSA-N
rxn:4:213476:228543,CCCCc1ccsc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,BLYAFMAAQADCEU-MDPJNFPTSA-N
rxn:4:213476:228890,N#Cc1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cnc1F,NYAXIQFNICHNPO-PCXIPRFYSA-N
rxn:4:213481:226587,COC12CC(COC(=O)c3cncc(-c4cnc(OC5CCC5)cc4F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,YFLMCFWPUJOTSZ-UHFFFAOYSA-N
rxn:4:213498:223539,COCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C(=O)OC,OSPRFJWGCVUTCK-UHFFFAOYSA-N
rxn:4:213505:223814,COC(=O)Cn1c(C)nc([N+](=O)[O-])c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,CEWQSBWBVUSQPX-UHFFFAOYSA-N
rxn:4:213628:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccn(C4CN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,HCFQQHCFMYKMPA-UHFFFAOYSA-N
rxn:4:213632:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nccn3C3CN(C(=O)OC(C)(C)C)C3)cc(F)c2F)CC1,DLMFIKVONMQLHP-UHFFFAOYSA-N
rxn:4:213657:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnn([C@H]2CON(C(=O)OC(C)(C)C)C2)c1,VLBSNBQEBIJOJR-QNSVNVJESA-N
rxn:4:213756:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,VHRVZTIGXIAPDG-UHFFFAOYSA-N
rxn:4:213759:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)cn2)cc1C,YOHZIRCWBBHTEO-UHFFFAOYSA-N
rxn:4:213764:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2C1,UTEDYLAHWKVUNV-UHFFFAOYSA-N
rxn:4:213767:225798,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC4CCOCC4)nc3)o2)CC1,ANUWWDMIOJQQTA-UHFFFAOYSA-N
rxn:4:213770:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,SPCQZILBLZXOHB-UHFFFAOYSA-N
rxn:4:213798:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2)CC1,LDJHBQLXKCRLPW-UHFFFAOYSA-N
rxn:4:213799:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)c2F)C1,UBGXNYAIHKBPLJ-UHFFFAOYSA-N
rxn:4:213799:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ncn1,YEEUTOJXSUHDQV-UHFFFAOYSA-N
rxn:4:213800:222799,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ncn2)ccc1S(=O)(=O)NC(C)(C)C,ABQZGRZRBNUREV-UHFFFAOYSA-N
rxn:4:213805:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2F)CC1,LSILPWAENPGCAK-UHFFFAOYSA-N
rxn:4:213834:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)C1,TUVCPULEYGLRAA-UHFFFAOYSA-N
rxn:4:213835:225899,Cc1cc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)n(C(=O)OC(C)(C)C)n1,WVJKYPWWWNUGNS-UHFFFAOYSA-N
rxn:4:213836:223938,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)C1,PWYDENXVGGUTMO-UHFFFAOYSA-N
rxn:4:213837:226652,Cc1cc(-c2ccn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)n(C2CCCCO2)n1,BNKJZPLBRPWOKX-UHFFFAOYSA-N
rxn:4:213860:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(Oc5cnccn5)CC4)cc3)c2)CC1,JLNDATYXERRKFQ-UHFFFAOYSA-N
rxn:4:213868:222466,O=S(=O)(c1cccc(Cl)c1)N1CCCC(Oc2ncc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cn2)C1,AYMCNOAZJQILOT-UHFFFAOYSA-N
rxn:4:213875:223937,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)n2)CC1,YHINSRUOFIKVPA-UHFFFAOYSA-N
rxn:4:213876:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1,GUUFPBJQFIBLIL-UHFFFAOYSA-N
rxn:4:213880:223929,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1,CNIZYVWGUKYPFG-UHFFFAOYSA-N
rxn:4:213880:225312,CN1CCCN(c2ncc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BNQAUSLCZCHVAM-UHFFFAOYSA-N
rxn:4:213884:223697,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)n2)CC1,SWHQYNAZBMUISX-UHFFFAOYSA-N
rxn:4:213892:223931,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,UKSFKKNANZKECK-UHFFFAOYSA-N
rxn:4:213900:225233,CC1CCCN(c2cc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cnc2Cl)C1,VYOMGSKOGJUVRO-UHFFFAOYSA-N
rxn:4:213938:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,BAFZZAHYRDKKFC-UHFFFAOYSA-N
rxn:4:213940:223646,Cn1ncc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1C1CCCN(C(=O)OC(C)(C)C)C1,OPPXUPYULADCAB-UHFFFAOYSA-N
rxn:4:213940:224160,Cn1ncc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1C1CCCN(C(=O)OC(C)(C)C)C1,MXMVKXASEVPUNI-UHFFFAOYSA-N
rxn:4:213941:227657,Cc1c(-c2ccc(N3CCOCC3)s2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,GCCOKCYOWGAMDH-UHFFFAOYSA-N
rxn:4:213942:223573,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,IWDJWQXWFHFNAT-UHFFFAOYSA-N
rxn:4:213944:223534,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)[nH]1,RIZOTWJGUAUFHK-UHFFFAOYSA-N
rxn:4:213945:223588,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,INXNBOGTJBFPQD-UHFFFAOYSA-N
rxn:4:213975:223506,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,ASNOXOABJWZUBK-UHFFFAOYSA-N
rxn:4:213975:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,SUHAQQHDLFBZRR-UHFFFAOYSA-N
rxn:4:213976:223579,CC1CN(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)n2)CCN1C(=O)OC(C)(C)C,YMNUDDXOBNWSNI-UHFFFAOYSA-N
rxn:4:213980:223602,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)n1,NEJNEVTWNCIZGP-UHFFFAOYSA-N
rxn:4:213982:224120,Cc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)ccc1CO[Si](C)(C)C(C)(C)C,VCMMALBZTFFESB-UHFFFAOYSA-N
rxn:4:213988:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)nc3)cc2Cl)CC1,BWYNBXBOHNFEJU-UHFFFAOYSA-N
rxn:4:213990:223885,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,OKRYNHIQYWTILG-UHFFFAOYSA-N
rxn:4:214000:223594,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,WUMPMJMULFRSEO-UHFFFAOYSA-N
rxn:4:214000:223886,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1F,AJVCCPRSLGMODL-UHFFFAOYSA-N
rxn:4:214000:224161,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1F,QEYIQXNFIHDKEC-UHFFFAOYSA-N
rxn:4:214000:227592,COc1cc(F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)c1OC,ZOAYNUYUBHTKON-UHFFFAOYSA-N
rxn:4:214010:224129,Cc1nn(C(=O)c2ccccc2-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(C)c1S(=O)(=O)N1CCOCC1,MDVZEIRNNQFWRE-UHFFFAOYSA-N
rxn:4:214033:226900,CC(C)[C@H]1COC(c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,QRDAOBTZXZNWON-NHCUHLMSSA-N
rxn:4:214037:227656,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cc(N5CCOCC5)cs4)cc3)C2)CC1,UGRKNVVCHGLRTO-UHFFFAOYSA-N
rxn:4:214043:223696,O=S(=O)(c1ccc(-c2ccccc2-c2noc(C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1)N1CCC2(CC1)OCCO2,AOXOAHLNCBERSL-UHFFFAOYSA-N
rxn:4:214047:223527,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,HSXPVYBNTHPZSX-UHFFFAOYSA-N
rxn:4:214048:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1C,DXJSTRCJNICIRS-UHFFFAOYSA-N
rxn:4:214051:227678,CCn1nnc2cc(-c3nc(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c(C(C)C)s3)cnc21,QWTARVJOPHZSHK-UHFFFAOYSA-N
rxn:4:214062:225810,CCN1CCN(Cc2ccc(-c3ccc(OC)cc3C3OCCO3)cc2N2CCOCC2)CC1,XDJZOVGJNSVVLS-UHFFFAOYSA-N
rxn:4:214064:225368,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)cc2N2CCOCC2)CC1,WKTUWIPCTMEHDB-UHFFFAOYSA-N
rxn:4:214065:226771,COC(=O)c1cc(F)c(F)cc1-c1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1,XNHYKLQISDSWAU-UHFFFAOYSA-N
rxn:4:214067:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1,GRVIPKBWKINGCI-UHFFFAOYSA-N
rxn:4:214115:224769,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(N3CCCC3)cc2C(F)(F)F)c2c1N=S=N2,YYGKVBBCDXVIJW-UHFFFAOYSA-N
rxn:4:214135:225195,CCN(CC)S(=O)(=O)c1c(-c2ccc(F)c(OC3CCCCO3)c2)nc2n1CCOC2,ABUHMSJSHFSPKY-UHFFFAOYSA-N
rxn:4:214145:224355,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)c2C1,DTOIWABOCLVJDY-UHFFFAOYSA-N
rxn:4:214146:225952,Cc1nc(N2CCOCC2)ncc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,LTDXBRPLWFKCEB-UHFFFAOYSA-N
rxn:4:214146:227492,COc1ncnc(C2CC2)c1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,SXFZPIRUNVTMLB-UHFFFAOYSA-N
rxn:4:214146:228092,CCN(CC)c1csc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c1,DUBPIIDOPFOMST-UHFFFAOYSA-N
rxn:4:214146:228340,COc1nc(C2CC2)sc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,UPARLODUXOJLIH-UHFFFAOYSA-N
rxn:4:214147:227377,CC(C)(C)OC(=O)N1CCn2c(-c3cncnc3C3CCCC3)nc(C(F)(F)F)c2C1,HQSCGELKPJTKSA-UHFFFAOYSA-N
rxn:4:214180:222395,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)cn3n2)C1,XKLOGLZGJFPXIA-UHFFFAOYSA-N
rxn:4:214180:224120,Cc1cc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)ccc1CO[Si](C)(C)C(C)(C)C,SCRYFWUMSFRDQS-UHFFFAOYSA-N
rxn:4:214185:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1Cl,ASMSDFCWICUVPZ-UHFFFAOYSA-N
rxn:4:214185:226084,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc4c(c3)C(=O)CCCC4)c2C1,XRBVJJGWYYRMQC-UHFFFAOYSA-N
rxn:4:214256:228456,COc1nc(SC)ncc1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,VPIGJYQWDHUGSH-UHFFFAOYSA-N
rxn:4:214276:224268,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cnc3[nH]2)CC1,SMQXMNGLKJRKKV-UHFFFAOYSA-N
rxn:4:214296:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)CC1,FZEYROMOTFEMIS-UHFFFAOYSA-N
rxn:4:214304:229147,COCn1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)n1,ABCNAPPIHSQFKH-UHFFFAOYSA-N
rxn:4:214320:223670,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc32)CC1,UWXMQZHGXSODAQ-UHFFFAOYSA-N
rxn:4:214320:226037,COc1c(C(F)(F)F)ccc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)c1F,YMGKZYBORCLRCM-UHFFFAOYSA-N
rxn:4:214534:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cn(-c4ccc([N+](=O)[O-])cc4)nc3C(F)(F)F)c(F)cn2)CC1,NXQWPMRIDGUIIX-UHFFFAOYSA-N
rxn:4:214632:223531,COC(=O)C1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,KALQKOHEFZNTBT-UHFFFAOYSA-N
rxn:4:214669:224371,COC(=O)C1CCN(c2ncc(-c3cnc(CC4CCN(C(C)=O)CC4)cn3)cn2)CC1,BUXIQQBHCPKFLK-UHFFFAOYSA-N
rxn:4:214703:224820,CN1CCN(Cc2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc([N+](=O)[O-])c2)CC1,XISLCIKAWHMAGC-UHFFFAOYSA-N
rxn:4:214734:225881,O=S(=O)(C1CC1)N1CCN(c2ncc(-c3ccc(C4CCOCC4)nc3F)cc2Cl)CC1,FBGDUACXDCZHLJ-UHFFFAOYSA-N
rxn:4:214866:224820,O=C(C1CCCN(c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)C1)N1CCOCC1,LSZGUSQZFRHDLJ-UHFFFAOYSA-N
rxn:4:214888:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)cc2)CC1,APOKHPSPHFPCGX-UHFFFAOYSA-N
rxn:4:214889:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CN2CCN(C)CC2)c(N2CCCC2)c1,AGYVRQIUNJZZCL-UHFFFAOYSA-N
rxn:4:215021:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cn(C(=O)OC(C)(C)C)c2ncnc(Cl)c12,KAZPCHLVEKNPDM-UHFFFAOYSA-N
rxn:4:215058:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2[N+](=O)[O-])CC1,SDJUEHSVONNYRO-UHFFFAOYSA-N
rxn:4:215062:224665,CN1CCN(Cc2cc(F)ccc2-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3)CC1,BRVKOALIJMTOIX-UHFFFAOYSA-N
rxn:4:215096:225287,CC1c2cnc(-c3cc(Cl)ncc3C(=O)OC(C)(C)C)n2CCN1C(=O)OC(C)(C)C,TZAWZXBVDCFTIQ-UHFFFAOYSA-N
rxn:4:215100:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,SDRRIMSXGVHTST-UHFFFAOYSA-N
rxn:4:215101:223696,CC(C)(C)OC(=O)N1CCc2cnc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)n2CC1,QGCSUWJPDICYOL-UHFFFAOYSA-N
rxn:4:215104:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ncn4c3CCN(C(=O)OC(C)(C)C)CC4)c2)CC1,IQMSSWBRZHLEAB-UHFFFAOYSA-N
rxn:4:215106:224326,Cc1cc(-c2c(C)nn3c2CN(C(=O)OC(C)(C)C)CC3)ccc1S(=O)(=O)N1CCCCC1,UGVICUYCOWCPBG-UHFFFAOYSA-N
rxn:4:215107:225227,CC1CCN(c2ncc(-c3cnn4c3CN(C(=O)OC(C)(C)C)CCC4)cc2Cl)CC1,UDSAEGNQUUMXQW-UHFFFAOYSA-N
rxn:4:215143:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)c2)CC1,AUTJCTBVOYISSV-UHFFFAOYSA-N
rxn:4:215146:223940,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)c3)c2C1,GYMBQNCQCXEHLO-UHFFFAOYSA-N
rxn:4:215146:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cc(-n2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)ccc1C#N,UJQHOUYVFCFJNF-UHFFFAOYSA-N
rxn:4:215201:225232,CC1CCN(c2cc(-c3cnc4n3CCC43CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)CC1,ZRIGUEVZGLQSTD-UHFFFAOYSA-N
rxn:4:215201:225831,Cc1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCOCC1,YUPVYEDLQVGAAW-UHFFFAOYSA-N
rxn:4:215201:227556,COc1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1F,RIZDCLSLWNKVJC-UHFFFAOYSA-N
rxn:4:215214:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,BJFRMIYKPBHAMW-UHFFFAOYSA-N
rxn:4:215303:227258,CCCOc1ccc(-c2ccc3c(c2)C2CC(c4ccc5ccccc5c4)=NN2C2(CCN(CCC)CC2)O3)c(F)c1,RAKXOZPAENFZGN-UHFFFAOYSA-N
rxn:4:215738:223992,Cc1ccc(-c2cc([N+](=O)[O-])cc(N3CCOCC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,ZPCJXJBXDVXHGN-UHFFFAOYSA-N
rxn:4:215929:223888,CSc1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(N2CCCCCC2)n1,MYUCCKYRKWSGBN-UHFFFAOYSA-N
rxn:4:215939:224368,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)CC1,GYYXVPJWIJYLEH-UHFFFAOYSA-N
rxn:4:215974:224396,Cc1cc(-c2ccc(N3CCC(N4CCOCC4)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,LVHJIISWMFMBRG-UHFFFAOYSA-N
rxn:4:215976:224397,CC1CCN(c2cc(C(C)C)nc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)n2)CC1,KCZMACAYBMAZRB-UHFFFAOYSA-N
rxn:4:216184:223493,Cc1ccc(S(=O)(=O)n2nc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c3cccnc32)cc1,FYLKBZMQEQKLOU-UHFFFAOYSA-N
rxn:4:216252:224634,COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1CN1CCOCC1,YQWGQAHDNIPNIZ-UHFFFAOYSA-N
rxn:4:216252:225232,CC(=O)N1CCc2c(c(-c3cnc(Cl)c(N4CCC(C)CC4)c3)nn2C2CCOCC2)C1,MREKJUKKQXFDIC-UHFFFAOYSA-N
rxn:4:216602:223507,Cc1c(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nnn1C1CC1,YFDFYXLCMRGGTD-UHFFFAOYSA-N
rxn:4:217047:223695,CC1=NN(c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C(=O)C1,FSVBHFSZNUGFMY-UHFFFAOYSA-N
rxn:4:217086:223699,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)nc2Cl)c(C(F)(F)F)c1)N1CCOCC1,ISCWSMYSAWNBSL-UHFFFAOYSA-N
rxn:4:217087:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(Cl)nc3N3CCOCC3)cn2)C1,IUOHWCLQBICCKL-UHFFFAOYSA-N
rxn:4:217209:223834,Cc1cc(N2CCCC(C)C2)nc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)n1,FYYALXVOZWJKLB-UHFFFAOYSA-N
rxn:4:217521:223482,CCc1cnc2cnc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn12,HSNDHZMKVFAUEY-UHFFFAOYSA-N
rxn:4:217907:226780,COc1c(F)cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c(OC)c1Cl,RGENHZWNFHAVAA-UHFFFAOYSA-N
rxn:4:217930:223482,Cn1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1Cl,QSSZGXFIOMOONZ-UHFFFAOYSA-N
rxn:4:218456:223493,CC1=NCCn2nc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc21,YZZIJWPDCUZFCO-UHFFFAOYSA-N
rxn:4:218615:225286,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cn1,HQKNEPIMRLVMKB-UHFFFAOYSA-N
rxn:4:218652:223491,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cn1,FGWKVMLBVNRDSN-UHFFFAOYSA-N
rxn:4:218652:223670,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,RWPIICLHUCQRME-UHFFFAOYSA-N
rxn:4:218695:225684,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(C5CCOCC5)nc4C)c3C)CC2)cc1,AFZVRXPEUZVETJ-UHFFFAOYSA-N
rxn:4:218775:229322,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4sccc4Cl)ccc32)CC1)N1CCCCCC1,FJNQYHQWVFASDU-UHFFFAOYSA-N
rxn:4:218815:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cnn(CC2CN(C(=O)CN3C(=O)CCC3=O)C2)c1,AAKWOHXWRINUSS-UHFFFAOYSA-N
rxn:4:218851:223532,CN(c1cnc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CN(C(=O)OC(C)(C)C)C1,BOIWRAGGSAXVPU-UHFFFAOYSA-N
rxn:4:218851:223649,CN(c1cnc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CN(C(=O)OC(C)(C)C)C1,WUISLMIGVLVTAG-UHFFFAOYSA-N
rxn:4:218943:224720,CN(c1cnc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cn1)C1CCN(C(=O)OC(C)(C)C)C1,UJZLUGZDUOUUMS-UHFFFAOYSA-N
rxn:4:218964:228311,CCCc1ncc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c(Cl)n1,HMIRMNPMWJSDTI-UHFFFAOYSA-N
rxn:4:218965:224371,COC(=O)C1CCN(c2ncc(-c3c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cnn3C)cn2)CC1,HTZZQZPEEHWBPX-UHFFFAOYSA-N
rxn:4:218971:225043,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OC5CCCCC5)c(F)c4)cn3)CC2)s1,LTCMDCHDEMNKQD-UHFFFAOYSA-N
rxn:4:219011:223591,CN(c1cnc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,OEKHMGQJUNYGSU-UHFFFAOYSA-N
rxn:4:219029:227573,CCOc1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)cc(F)c1F,ZRGGEJMSMPHRSW-UHFFFAOYSA-N
rxn:4:219033:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)c(C(F)(F)F)c1,YSKRVGIRGMIDHS-UHFFFAOYSA-N
rxn:4:219033:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)c2)CC1,LZSMAIRUHVDSLE-UHFFFAOYSA-N
rxn:4:219033:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,NYCZWUOCCWWDOE-UHFFFAOYSA-N
rxn:4:219033:225320,O=C(Cc1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,CKVOGNPEVOKUFQ-UHFFFAOYSA-N
rxn:4:219047:224760,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,KERSBLMWJQQPFA-UHFFFAOYSA-N
rxn:4:219047:226715,COc1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,FDPGPWZNZMIKOI-UHFFFAOYSA-N
rxn:4:219072:227686,COc1ccc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)cc1[N+](=O)[O-],CUJIXKXMULVGHF-UHFFFAOYSA-N
rxn:4:219076:223941,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc3)n[nH]2)CC1,YHXSAALGEUVYGH-UHFFFAOYSA-N
rxn:4:219207:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)c2)CC1,LNYUAPWKEDHZHB-UHFFFAOYSA-N
rxn:4:219207:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)cc2)CC1,WQOVUGOCLSEPTJ-UHFFFAOYSA-N
rxn:4:219363:223992,Cc1ccc(-c2cnccc2OC2CCN(S(=O)(=O)c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCN(C)CC1,OUTFIEKYTMRASR-UHFFFAOYSA-N
rxn:4:219369:224017,Cn1c(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,LMHPAINIXOBPPL-QGZVFWFLSA-N
rxn:4:219371:226716,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,JSJWMIBJVMAHKS-UHFFFAOYSA-N
rxn:4:219372:223761,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,ZQIVIPQWZABLPE-UHFFFAOYSA-N
rxn:4:219374:225408,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4c5c(c3)CCCN5CCC4)nn2)CC1,DFDVWSMYEBDFTH-UHFFFAOYSA-N
rxn:4:219375:223931,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)nn2)C1,HYZLACWJWSWKNB-UHFFFAOYSA-N
rxn:4:219375:225592,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(F)ccc3CN3CCCC3)nn2)C1,TYFYJYUIHMQUMI-UHFFFAOYSA-N
rxn:4:219389:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccnc5)C4)nc3)c2)CC1,CZGUTUVEFPUSBC-UHFFFAOYSA-N
rxn:4:219402:225947,CN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,LROLIBITQKLDLF-UHFFFAOYSA-N
rxn:4:219403:225222,CC1CCCCN1c1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(F)cn1,HRRXIYVEYUOAEG-UHFFFAOYSA-N
rxn:4:219405:225743,COC(=O)Cc1ccc(OC)c(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,KHYFOBDOZDSXOX-UHFFFAOYSA-N
rxn:4:219410:224817,O=S(=O)(c1ccccc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1)N1CCOCC1,YLIHUJXXKIQFKW-UHFFFAOYSA-N
rxn:4:219410:225827,CN1CCN(c2cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)ccn2)CC1,GZSHDBQZWBYMKC-UHFFFAOYSA-N
rxn:4:219452:224817,Cc1nc(-c2ccccc2S(=O)(=O)N2CCOCC2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,LUHMWDQXLHDJJH-UHFFFAOYSA-N
rxn:4:219453:224397,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cn3)C2)C1=O,BDIHFRSNMGAOGV-UHFFFAOYSA-N
rxn:4:219453:226438,CC(C)N1CCC(N2CC(Cn3cc(-c4cnc(C5CCCC5)cc4F)cn3)C2)C1=O,GYFBRQQCMGNTHX-UHFFFAOYSA-N
rxn:4:219453:226691,CC(C)N1CCC(N2CC(Cn3cc(-c4cnc(Cl)c(N5CCCC5)c4)cn3)C2)C1=O,BIJBXMYNYHYTML-UHFFFAOYSA-N
rxn:4:219454:225975,Cc1c(-c2ccnc(N3CCOCC3)c2Cl)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,BGNICFVADPHIIO-UHFFFAOYSA-N
rxn:4:219454:227684,Cc1c(-c2cnn(CC3OCCO3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,BFOUGPXONRQNGU-UHFFFAOYSA-N
rxn:4:219477:222740,CC(C)c1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc(C2CCCNC2)n1,QXXHYHSZZUFPEW-UHFFFAOYSA-N
rxn:4:219489:226829,Cc1cc(C(F)(F)F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1Cl,PGHZSNFZSPCHPR-UHFFFAOYSA-N
rxn:4:219515:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1nnc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1,WHSPPMQTQOEQCU-UHFFFAOYSA-N
rxn:4:219539:223660,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1,NSZAUXDKTYOBLP-UHFFFAOYSA-N
rxn:4:219551:225633,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(N5CCCCCC5)nc4)cn3)CC2)C1=O,YWHVIIYCXPNCLV-UHFFFAOYSA-N
rxn:4:219551:228677,CC(C)Cn1cc(-c2cnc(OC3CCN(C4CCN(C(C)C)C4=O)CC3)nc2)cn1,HICMEQHAAZGCHL-UHFFFAOYSA-N
rxn:4:219552:228455,COc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c(OC)n1,GVVKHYHYOUTULS-UHFFFAOYSA-N
rxn:4:219560:224761,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cn1C,JDUQFIOONHVQEF-UHFFFAOYSA-N
rxn:4:219653:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2Cl)CC1,IZGMIAIXMRROPW-UHFFFAOYSA-N
rxn:4:219691:224157,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)c3n2)C1,QNCHEOVCCVLGTD-UHFFFAOYSA-N
rxn:4:219691:224971,CN1CCN(Cc2ccc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)cc2)CC1,SQKAIAGKUQAXJA-UHFFFAOYSA-N
rxn:4:219717:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CC(=O)N2CC3CN(c4nccc(C)n4)CC3C2)cc1,RQHZLZLHZNHFSD-UHFFFAOYSA-N
rxn:4:219880:222740,CSc1ncc(-c2cc(C(C)C)nc(C3CCCNC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,STRMFAPYYCIKHX-UHFFFAOYSA-N
rxn:4:219880:223993,CSc1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HBHOOTRWUPOWJP-UHFFFAOYSA-N
rxn:4:219904:223480,Cc1cc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,TYTGDPLXWFRACB-UHFFFAOYSA-N
rxn:4:219959:222996,O=C(C1CN(c2ncc(-c3ccc(F)cc3C3CCCNC3)cn2)CCO1)N1CCOCC1,BRVKIRCERSMLPA-UHFFFAOYSA-N
rxn:4:219988:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)cc2)CC1,AZZDEHARFGLWCH-UHFFFAOYSA-N
rxn:4:220018:223954,COCC(=O)N1CCn2nc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)nc2C1,ZGIZMBUZKIVBQB-UHFFFAOYSA-N
rxn:4:220018:223994,COCC(=O)N1CCn2nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)nc2C1,XNNZFDUXQCAGON-UHFFFAOYSA-N
rxn:4:220034:224411,CC(C)CC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)nc2C1,QTHXERUMEIMMKN-UHFFFAOYSA-N
rxn:4:220041:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)c(F)c2)CC1,PUWAHIOWZNRNPM-UHFFFAOYSA-N
rxn:4:220041:223774,COc1cccc2c1cc(-c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,VKAQAEVGVHXTOK-UHFFFAOYSA-N
rxn:4:220069:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,WWTXCEBJFSBDPN-UHFFFAOYSA-N
rxn:4:220070:225215,CC1CCN(c2nccc(-c3nc4n(n3)CCCN(C(=O)OC(C)(C)C)C4)c2Cl)CC1,HXKCIPHTOHZOIZ-UHFFFAOYSA-N
rxn:4:220393:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCN(C(C)=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,XGEYFMJESKQPBR-UHFFFAOYSA-N
rxn:4:220443:223845,CCC(=O)N1CCn2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)nc2C1,PEABLMREPPZORA-UHFFFAOYSA-N
rxn:4:220461:223534,CC(C)C(=O)N1CCn2nc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)nc2C1,WFYGEXQWGNBZIS-UHFFFAOYSA-N
rxn:4:220816:222389,Cn1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)nc1N1CCCCCC1,RJIFAABCHGBENI-UHFFFAOYSA-N
rxn:4:220944:223671,Cc1cnc2c(n1)c(-c1ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c1)nn2C1CCCCO1,CXEMMMAQRNITRF-UHFFFAOYSA-N
rxn:4:221094:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cc2)C1,VVGJIXWKXJDZBJ-UHFFFAOYSA-N
rxn:4:221114:223696,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,IDTFPUKDDKPPAN-UHFFFAOYSA-N
rxn:4:221115:223829,CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,WIFZQWMWKHFAHM-UHFFFAOYSA-N
rxn:4:221182:226612,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(N5CCCCC5)nc4)cn3)CC2)C1=O,PPGIBNMZSFXHPW-UHFFFAOYSA-N
rxn:4:221182:228200,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccnn4C4CCCC4)cn3)CC2)C1=O,OGNUNFNRBCGPJM-UHFFFAOYSA-N
rxn:4:221186:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc1,PZZKLTJGROBSMH-UHFFFAOYSA-N
rxn:4:221186:223506,CN(CC1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,OHSWPTSPSXRIPB-UHFFFAOYSA-N
rxn:4:221186:225831,Cc1cc(-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)cnc1N1CCOCC1,YRSKLWNZIZVBPN-UHFFFAOYSA-N
rxn:4:221189:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)C4)nc3)cc2)CC1,QGQXDPCDQLVTJL-UHFFFAOYSA-N
rxn:4:221191:224817,Cc1cc(N2CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C2)nc(C2CC2)n1,PCTUUFKMSZSIGO-UHFFFAOYSA-N
rxn:4:221208:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CCN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c2)CC1,BFLVHPMJXYKAJK-UHFFFAOYSA-N
rxn:4:221209:223064,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNCC5)nc4F)cc3)CC2)n1,VVPNHUQTBQYFIU-UHFFFAOYSA-N
rxn:4:221209:224321,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)CC2)n1,MIGGMYZXMKGCLJ-UHFFFAOYSA-N
rxn:4:221351:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)ccc21,AENMEFIEHHEWDL-UHFFFAOYSA-N
rxn:4:221419:222729,CCCc1cc(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc(C2CCCNC2)n1,QKVHIKAHKFMRDA-UHFFFAOYSA-N
rxn:4:221425:222700,FC(F)(F)c1ccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c(C2CCCNC2)c1,FDKOEHIPHVUCMA-UHFFFAOYSA-N
rxn:4:221425:224406,O=S(=O)(c1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)ccc1F)N1CCOCC1,PGDLEWZETSZSQJ-UHFFFAOYSA-N
rxn:4:221447:223062,Cc1cc(N2CCN(Cc3ccc(-c4cnc(C5CCNCC5)cc4F)cc3)CC2)nc(N2CCOCC2)n1,LBGZKMIGEBIJCD-UHFFFAOYSA-N
rxn:4:221447:225127,Cc1cc(N2CCN(Cc3ccc(-c4cc(C)c(F)c(OCC(C)C)c4F)cc3)CC2)nc(N2CCOCC2)n1,NKWWZSYKEFWZHJ-UHFFFAOYSA-N
rxn:4:221625:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc(N4CCC(Cn5cnccc5=O)CC4)nc3)cc2)C1,KSSDLXKDTFKBOK-UHFFFAOYSA-N
rxn:4:221640:222612,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)CC2)n1,UNABQJYSTBKAQZ-UHFFFAOYSA-N
rxn:4:221645:222700,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cn3)CC2)n1,JCDFHOYJWOOHKU-UHFFFAOYSA-N
rxn:4:221723:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)C1,VMSHNCCCWGDODH-UHFFFAOYSA-N
rxn:4:221730:223588,Cc1cc(-c2cnc(N3CCC(Cn4c(C)nc5cc(F)ccc5c4=O)CC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZIRRPOHWAWWIQS-UHFFFAOYSA-N
rxn:4:221731:225312,CN1CCCN(c2ncc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)cn2)CC1,CDSYKLFQZLEQBG-UHFFFAOYSA-N
rxn:4:221978:223520,CC(c1ccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ZACCBOBIBYRGRU-UHFFFAOYSA-N
rxn:4:221978:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)cn2)C1,UCYCIDWNQBJJDO-UHFFFAOYSA-N
rxn:4:222009:223810,Cc1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,SBUUHHLJTUJVSY-UHFFFAOYSA-N
rxn:4:222031:223658,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)CC2)n1,WGJACBRJDQWENI-UHFFFAOYSA-N
rxn:4:222032:223835,Cc1cc(F)c(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZPTJQVFLHSRHHN-UHFFFAOYSA-N
rxn:4:222124:224278,CC(C)(C)OC(=O)n1ccc2cc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)cnc21,NHKKMPVNNPYGMM-UHFFFAOYSA-N
rxn:4:222149:223831,COc1ccc(-c2cnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,YYYBJCKBFNBLQM-UHFFFAOYSA-N
rxn:4:222153:224391,Cc1nc(C(F)F)cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cn3)CC2)n1,ZSBWPEKBOZGQNX-UHFFFAOYSA-N
rxn:4:222155:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cnc2C1,FPZQOEZRPNLHPF-UHFFFAOYSA-N
rxn:4:222165:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(c5ccc(C(C)(C)C)nn5)CC4)nc3)c2)CC1,CUEUJORDEKFXFP-UHFFFAOYSA-N
rxn:4:222168:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,CKZPAUCSFVNQNH-UHFFFAOYSA-N
rxn:4:222393:175691,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1,QTSYULNIWWVLEA-RQNOJGIXSA-N
rxn:4:222981:219375,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccnc(NC4CCCCC4)c3)nn2)C1,SZXAEEVAVJNCNO-UHFFFAOYSA-N
rxn:4:222982:207946,COc1cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,AWWSJUVAXALKAA-QZWVJJBASA-N
rxn:4:223083:214185,Cc1nc(N2CCC(O)C2)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,CCFSMSPTICSVHH-UHFFFAOYSA-N
rxn:4:223540:176461,COC(=O)C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1,QAHAPCBSFLOUKO-UHFFFAOYSA-N
rxn:4:223540:178444,COC(=O)Cc1c(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)oc2cc(C)ccc12,BYMLPNBFPPXJRE-UHFFFAOYSA-N
rxn:4:223540:184690,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1COC(=O)ON1C(=O)CCC1=O,SVYQCQRJLRUIGQ-UHFFFAOYSA-N
rxn:4:223540:189168,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1,OSZLZFBHBOXMPP-UHFFFAOYSA-N
rxn:4:223540:203915,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)C1,XEAIEROXMSHABB-UHFFFAOYSA-N
rxn:4:223541:209238,O=S(=O)(c1cc(F)c(F)cc1-c1nsc(C2CCOCC2)n1)N1CCC2(CC1)OCCO2,NIATXFKBAAJGBC-UHFFFAOYSA-N
rxn:4:223811:176215,COCCOC1CCCOc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,QGRMSGAGNAOMHS-UHFFFAOYSA-N
rxn:5:176860:225600:223008,COC(=O)c1c(-c2cccnc2OC2CCCCC2)ccc(OC)c1-c1cc(C2CCNCC2)ccc1F,UEFGKZNOHJFAKC-UHFFFAOYSA-N
rxn:5:176864:225446:223061,COC(=O)c1cc(-c2cc(C)cc(OC3CCCC3)c2)cc(-c2cc(C3CCNCC3)ncc2F)c1OC,SZOLSLBRPNPVAR-UHFFFAOYSA-N
rxn:5:177850:226033:227767,CCOc1ccc(-c2cc(OC)c(F)c(C(F)(F)F)c2)c(C2OCCO2)c1-c1cn(CC)nc1C(F)(F)F,KGGLNIKCJQTNDJ-UHFFFAOYSA-N
rxn:5:177850:226441:226027,CCOc1ccc(-c2ccc(N3CCCC3)cc2F)c(C2OCCO2)c1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,XLICXFHAMNFSNE-UHFFFAOYSA-N
rxn:5:177851:223010:227354,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccc(F)c(OC(C)C)c1,VMPWIUDGZQYWLU-UHFFFAOYSA-N
rxn:5:177851:227078:225622,CCOc1c(-c2ccccc2OC2CCCCO2)cc(C2OCCO2)cc1-c1cc(OC)ccc1C1CC1,CRJNPDVAPGWUHT-UHFFFAOYSA-N
rxn:5:177891:226900:228276,COc1c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)ccc(F)c1C,MBBSGFAUTBBBGE-UHFFFAOYSA-N
rxn:5:177891:228653:226837,Cc1nn(CC(F)(F)F)c(C)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cnn2c1CCCC2,BYCTUAXHXGVSLI-UHFFFAOYSA-N
rxn:5:178117:222992:227371,COc1c(C)ccc(-c2ccc(-c3ccc(N4CCCCC4O)cc3)cc2OCC2CCOCC2)c1OC,HITYOMFBFSFMCN-UHFFFAOYSA-N
rxn:5:178121:227292:225447,CN(C)Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OC3CCCCC3)cc2)ccc1F,CNCCOCXPSUUDNQ-UHFFFAOYSA-N
rxn:5:178225:225810:223064,COc1ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCNCC3)nc2F)c(C2OCCO2)c1,GZGBFWFULQDOTK-UHFFFAOYSA-N
rxn:5:178295:227680:228077,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2-c2cccc3c2OC(F)(F)O3)CCC(=O)CC1,VLDILPAIVSBPCD-UHFFFAOYSA-N
rxn:5:178295:228077:226686,COC(=O)C1(c2cc(-c3c(C)cnn3C3CCCCO3)ccc2-c2ccc3c(c2)C(=O)OC3)CCC(=O)CC1,TVSCSDCDRZKEGN-UHFFFAOYSA-N
rxn:5:178313:226751:225622,Cc1cc(OC(F)(F)F)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccccc1OC1CCCCO1,DBZVQDPZSNTVTM-UHFFFAOYSA-N
rxn:5:178314:226197:222959,Cc1cc(-c2ccc(-c3ccc(C4CCCOC4)cc3)cc2O[Si](C)(C)C(C)(C)C)ccc1C1CCNCC1,PKRKAEYAJWYSLB-UHFFFAOYSA-N
rxn:5:178467:226765:226980,CCOC(=O)C1=Cc2cc(-c3cccc4c3C(=O)CCC4)cc(-c3ccc(C(=O)OC)c(F)c3F)c2OC1,SOEKMWUWIYBKRX-UHFFFAOYSA-N
rxn:5:178467:226980:226886,CCOC(=O)C1=Cc2cc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc(-c3cccc4c3C(=O)CCC4)c2OC1,QVOBLPCDQYGQDC-UHFFFAOYSA-N
rxn:5:178467:228496:227767,CCOC(=O)C1=Cc2cc(-c3cn(CC)nc3C(F)(F)F)cc(-c3cnn(CC(F)(F)F)c3)c2OC1,MUIPSBCLVSIQPH-UHFFFAOYSA-N
rxn:5:179840:225925:225927,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(O[C@@H]2CCOC2)cc1-c1cc(C(F)(F)F)ccc1N(C)C,FLNHIUOMAXQRMB-OAQYLSRUSA-N
rxn:5:179840:225927:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(O[C@@H]2CCOC2)ccc1-c1cc(C(F)(F)F)ccc1N(C)C,SFYYYVSGINISNQ-LJQANCHMSA-N
rxn:5:179840:226898:225927,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(O[C@@H]2CCOC2)cc1-c1cc(C(F)(F)F)ccc1N(C)C,RIKGSKRQXLNBGS-LJQANCHMSA-N
rxn:5:180021:225593:225445,COc1c(-c2cc(F)cc(CN3CCCC3)c2)cc(C2OCCO2)cc1-c1ccccc1OC1CCCCC1,FMAWWDCVCRIPNL-UHFFFAOYSA-N
rxn:5:180021:225617:225833,COc1c(-c2ccc(OC3CCCCO3)cc2)cc(C2OCCO2)cc1-c1ccnc(N2CCCCC2)c1F,SXNMNZBAKSFAOC-UHFFFAOYSA-N
rxn:5:180021:225834:226658,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C2OCCO2)cc1-c1ccc(N2CCCC2)nc1F,YMBGUMFPOPHTKK-UHFFFAOYSA-N
rxn:5:180022:226185:222984,COc1c(-c2ccc(CN3CCC(O)C3)cc2)ccc(-c2ccc(C3CCOCC3)cc2)c1C1OCCO1,JRMCSIPWZZMFLV-UHFFFAOYSA-N
rxn:5:180297:226752:225657,COc1cc(-c2cccc(C(F)(F)F)c2OC)c(C2(C)OCCO2)cc1-c1ccc(N2CCOCC2)c(C)c1,MTFDKPZOEDNZKM-UHFFFAOYSA-N
rxn:5:180506:223202:225452,CC(C)(C)c1cc(-c2ccc(C3(O)CCC3)cc2)c(-c2ccc(OC3C=CCCC3)cc2)c(C2OCCO2)c1,TYNWVTNHIBQWAQ-UHFFFAOYSA-N
rxn:5:180506:228170:222995,CCOc1ccc(F)cc1-c1cc(C(C)(C)C)cc(C2OCCO2)c1-c1cccc(N2CCCC(O)C2)c1,LNJURBYCOOJBAW-UHFFFAOYSA-N
rxn:5:180602:225927:226572,COC(=O)C1Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3cc(C(F)(F)F)ccc3N(C)C)c2O1,IHVYSMRIGFSEET-UHFFFAOYSA-N
rxn:5:180662:226084:226652,COC(=O)C1=Cc2cc(-c3cc(C)nn3C3CCCCO3)cc(-c3ccc4c(c3)C(=O)CCCC4)c2OC1,VMLUIDDEAGTQHN-UHFFFAOYSA-N
rxn:5:182949:225832:226835,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1-c1cc(C(F)(F)F)nn1C(C)C)OCCC2=O,PSZDKZVNWMIDGA-UHFFFAOYSA-N
rxn:5:182953:225832:226654,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2csc(N3CCC(C)CC3)n2)ccc2c1OCCC2=O,VTEAXYNWAMTKQK-UHFFFAOYSA-N
rxn:5:188375:226686:225832,COC(=O)Cc1nc(-c2c(C)nn(C3CCCCO3)c2C)ccc1-c1c(C)cnn1C1CCCCO1,VZNLXXGVGIYTHI-UHFFFAOYSA-N
rxn:5:188446:226899:226040,COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1,NDCPERNUVQFFEG-UHFFFAOYSA-N
rxn:5:188458:226652:226686,COC(=O)c1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(C)nn2C2CCCCO2)cc1[N+](=O)[O-],UGFRYUKQZBXKFY-UHFFFAOYSA-N
rxn:5:188460:227766:226837,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])cc1C(=O)OC,ATVFOSAPLHADET-UHFFFAOYSA-N
rxn:5:188462:226049:226469,COC(=O)c1cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c(-c2ccc3c(c2)N(C)C(=O)CO3)cc1[N+](=O)[O-],SAGHQRHWGLODGS-UHFFFAOYSA-N
rxn:5:188596:226046:226837,CCOc1c(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc(-c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-],YNVTUWJVTNCNOI-UHFFFAOYSA-N
rxn:5:188632:226029:225978,CCOc1c(F)c(F)c(-c2cc(-c3ccc(N4CCOCC4)nc3F)c(C(=O)OC)nc2OC)c(F)c1F,WOXPHIWJZKFHAL-UHFFFAOYSA-N
rxn:5:189000:225939:226836,CC(C)Oc1cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1[N+](=O)[O-],VAVIRRJXDYGNQH-UHFFFAOYSA-N
rxn:5:189000:226054:226895,CC(C)Oc1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c(-c2cc(F)c(C(F)(F)F)cc2F)cc1[N+](=O)[O-],JPXJXDQCSIGWCA-UHFFFAOYSA-N
rxn:5:189207:225584:229088,CC(=O)c1csc(-c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)c1,GZRGLCYJQRRLKT-UHFFFAOYSA-N
rxn:5:189207:225871:223310,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(NC2CC2)cc1,WAZSOFOQALTABQ-UHFFFAOYSA-N
rxn:5:189207:226084:228245,CC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C(=O)ON2C(=O)CCC2=O)cc1F,FXSZPXIEISNYLY-UHFFFAOYSA-N
rxn:5:189207:226158:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCCCC2)ccc1-c1cccc(N2CCOCC2=O)c1,OHSNENYXTDRRMB-UHFFFAOYSA-N
rxn:5:189207:226174:228866,COCc1noc(C)c1-c1ccc(-c2ccc(C3CCCCC3)nc2)cc1C(=O)ON1C(=O)CCC1=O,HGMRHKFDGSBEDA-UHFFFAOYSA-N
rxn:5:189207:226447:228151,COC(=O)c1cccc(-c2ccc(-c3ccnc(C4CCOCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,KUCBAUHMHWSVQE-UHFFFAOYSA-N
rxn:5:189207:226469:228243,CC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,RDRANEHAQTXEDF-UHFFFAOYSA-N
rxn:5:189207:226769:228066,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3ccc4c(c3)OCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,RZFFGBPGZNHPDX-UHFFFAOYSA-N
rxn:5:189207:226837:228704,CCn1nc(C)c(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)cc2C(=O)ON2C(=O)CCC2=O)c1C,KZBCHLPWDPZGNB-UHFFFAOYSA-N
rxn:5:189207:226899:228077,O=C1OCc2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C(=O)ON3C(=O)CCC3=O)cc21,XAVSWKNTZPQEJT-UHFFFAOYSA-N
rxn:5:189207:227390:228267,COc1c(C)ccc(F)c1-c1ccc(-c2ccnn2C2CCCCC2)cc1C(=O)ON1C(=O)CCC1=O,OKHUAIWOBISGSC-UHFFFAOYSA-N
rxn:5:189207:227501:227103,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1sccc1C1CCCCC1,VSXYCEWDFMJQRH-UHFFFAOYSA-N
rxn:5:189207:227506:226185,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)ccc1-c1ccc(C2CCOCC2)cc1,JGAAMPAPQZXQJW-NTCAYCPXSA-N
rxn:5:189207:227613:227339,COC(=O)c1cc(C)ccc1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,TTXZLFDIKIMBBH-UHFFFAOYSA-N
rxn:5:189207:228071:225818,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(C(F)(F)F)cc1C1CC1,QOOYCFOCSHKZQM-UHFFFAOYSA-N
rxn:5:189207:228601:225623,CC(=O)c1ccccc1-c1ccc(-c2cccc(OC3CCOCC3)c2)c(C(=O)ON2C(=O)CCC2=O)c1,XSVQIRIVGLAEJW-UHFFFAOYSA-N
rxn:5:189207:228894:225623,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1cccc(OC2CCOCC2)c1,CWEGWPVMLPPXHO-UHFFFAOYSA-N
rxn:5:189208:225584:228513,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccccc1C1CC1,VLOKJFGVXXZFPP-UHFFFAOYSA-N
rxn:5:189208:225871:227998,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(F)cc1C1CC1,FVNAQWFGSGGVSH-UHFFFAOYSA-N
rxn:5:189208:226332:227825,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1-c1cccc(C2CCC2)c1,XTWMGYIOIVCFLK-UHFFFAOYSA-N
rxn:5:189208:226469:226601,CC(C)Oc1ccc(F)c(F)c1-c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1C(=O)ON1C(=O)CCC1=O,NEGCZADHYSEOHB-UHFFFAOYSA-N
rxn:5:189208:227047:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CCC3)c2)cc1-c1cccc2c1C(=O)CCC2,GCQSSFFUTBMAMB-UHFFFAOYSA-N
rxn:5:189208:227203:226782,COC(=O)c1cc(F)c(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,NVOHJLPDFUPEFI-UHFFFAOYSA-N
rxn:5:189208:227205:228343,COC(=O)c1sc(-c2cc(-c3cccc4c3OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc1C,RHSAIOZXUUCBAX-UHFFFAOYSA-N
rxn:5:189208:227679:226774,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1-c1ccc(OC(F)=C(F)F)cc1,HZNAQIATIYKTJA-UHFFFAOYSA-N
rxn:5:189208:228150:226158,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3N3CCCCC3)c2)cc1,LGJNSUJIFLIDDO-UHFFFAOYSA-N
rxn:5:189208:228343:226413,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4CCOCC4)c3)c2)cc1C,UFZXMEHNUZLAFP-UHFFFAOYSA-N
rxn:5:189208:228653:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn3c2CCCC3)ccc1C(=O)ON1C(=O)CCC1=O,PHJFBCJFDQLQDV-UHFFFAOYSA-N
rxn:5:189208:228975:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn(C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,AIUMQXCXNQOLOX-UHFFFAOYSA-N
rxn:5:189209:225407:229016,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccsc2C2CC2)c1,WHCZMUUXXINBOS-UHFFFAOYSA-N
rxn:5:189209:226150:227870,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCC3)c2)cc(-c2ccc3c(c2)C(=O)CC3)c1,UMIDRUBZXXHJLO-UHFFFAOYSA-N
rxn:5:189209:226186:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc(-c2ccccc2C2CCOCC2)c1,PQNAZYXOAIOKBE-JLHYYAGUSA-N
rxn:5:189209:226186:227507,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C=C[N+](=O)[O-])c2)cc(-c2ccccc2C2CCOCC2)c1,PQNAZYXOAIOKBE-UHFFFAOYSA-N
rxn:5:189209:226411:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)cc(-c2cccc3c2C(=O)CCC3)c1,PVIJJYNRVBCLTK-UHFFFAOYSA-N
rxn:5:189209:228603:225873,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(N4CCOCC4=O)c3)c2)c1,XPMIAGKRDHYGKE-UHFFFAOYSA-N
rxn:5:189210:225450:228077,O=C1OCc2ccc(-c3cccc(-c4ccc(C(=O)C5CCCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)cc21,YSHQSPIFZALIHK-UHFFFAOYSA-N
rxn:5:189210:225620:228895,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(OC3CCOCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1,WQDOHWOABWFTSB-UHFFFAOYSA-N
rxn:5:189210:226084:226466,CN1C(=O)COc2cc(-c3cccc(-c4ccc5c(c4)C(=O)CCCC5)c3C(=O)ON3C(=O)CCC3=O)ccc21,FSPSWEFVBHGVGE-UHFFFAOYSA-N
rxn:5:189210:226686:229056,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2ccnn2C(C)C)c1C(=O)ON1C(=O)CCC1=O,VAFFSWQADYIVII-UHFFFAOYSA-N
rxn:5:189210:227203:227672,Cc1cccc(-c2cccc(-c3ccc4c(c3)OCCCO4)c2C(=O)ON2C(=O)CCC2=O)c1C(F)(F)F,MLRBCIJSFYISCN-UHFFFAOYSA-N
rxn:5:189210:228071:226765,COC(=O)c1ccc(-c2cccc(-c3cccc4c3OCCO4)c2C(=O)ON2C(=O)CCC2=O)c(F)c1F,TUNPWFJRMIOZNT-UHFFFAOYSA-N
rxn:5:189210:228077:225583,O=C1OCc2ccc(-c3cccc(-c4cccc(C(=O)N5CCCC5)c4)c3C(=O)ON3C(=O)CCC3=O)cc21,TXKGGIAOYOHNGT-UHFFFAOYSA-N
rxn:5:189211:225616:227197,CN1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccccc3C(=O)N3CCCC3)cc2C1=O,XDQZBWUUDZLRNN-UHFFFAOYSA-N
rxn:5:189211:225871:228016,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1cc(C2CCCC2)cs1,VEGAKOKUFOJDHT-UHFFFAOYSA-N
rxn:5:189211:225873:228245,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3CCOCC3=O)c2)cc1F,BQGXPHBOFMRGCN-UHFFFAOYSA-N
rxn:5:189211:226084:228871,COC(=O)c1ccsc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc2c(c1)C(=O)CCCC2,KRDSQUZSRXLKKJ-UHFFFAOYSA-N
rxn:5:189211:226319:228631,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1ccsc1C1CCC1,CXPBMTJJMCFEIJ-UHFFFAOYSA-N
rxn:5:189211:226413:227872,O=C1CCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(N4CCOCC4)c3)ccc21,GQPYVJXQYWNTOT-UHFFFAOYSA-N
rxn:5:189211:226415:227446,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1ccc(C2OCCO2)cc1,GZHOBZBLYVLDAV-UHFFFAOYSA-N
rxn:5:189211:226415:228151,COC(=O)c1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2N2CCOCC2)c1,NLHDZJYRPWQGBL-UHFFFAOYSA-N
rxn:5:189211:226966:226969,O=C1CCCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)C(=O)CCC4)ccc21,SKWXVZHOIDHJAW-UHFFFAOYSA-N
rxn:5:189211:226980:225623,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1cccc(OC2CCOCC2)c1,NSGDPCCRRLHUDO-UHFFFAOYSA-N
rxn:5:189211:227095:226919,O=C1CC(c2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cccc(C4CCCC4)c3)cc2)C1,DLWSGRNDJOYINO-UHFFFAOYSA-N
rxn:5:189211:227357:227203,CCC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)OCCCO3)ccc1F,XPSOUACTBVMEIP-UHFFFAOYSA-N
rxn:5:189211:228493:226826,Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(F)c(F)c(F)c2F)c(F)c(C(F)(F)F)c1,RWCGKWIJRAJZBN-UHFFFAOYSA-N
rxn:5:189212:225879:228872,COC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCOCC2)cc1F,HYKPIWOQSCMAJS-UHFFFAOYSA-N
rxn:5:189212:226084:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc2c(c1)C(=O)CCCC2,WAULFWBYKJKJCD-UHFFFAOYSA-N
rxn:5:189212:226185:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2ccc(C3CCOCC3)cc2)c1,HWMOGSWFFFABAS-UHFFFAOYSA-N
rxn:5:189212:226185:228475,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc([N+](=O)[O-])c2F)c(-c2ccc(C3CCOCC3)cc2)c1,PJNQNNWUYUKEFU-UHFFFAOYSA-N
rxn:5:189212:226185:228490,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(S(=O)(=O)F)c2)c(-c2ccc(C3CCOCC3)cc2)c1,JGJINUHKMITFBX-UHFFFAOYSA-N
rxn:5:189212:226186:226319,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)c(-c2ccccc2C2CCOCC2)c1,HCUDJQKTTPSMHK-UHFFFAOYSA-N
rxn:5:189212:226415:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCO3)cc2)c(-c2ccccc2N2CCOCC2)c1,GJAQTTUHDPPTHQ-UHFFFAOYSA-N
rxn:5:189212:226415:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccccc2N2CCOCC2)c1,ZNWQWVLVJJCRCL-UHFFFAOYSA-N
rxn:5:189212:226685:227501,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)c(-c2cnc(C3CCOCC3)nc2)c1,ZAAAAUXDVBSKBE-UHFFFAOYSA-N
rxn:5:189212:226685:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2cnc(C3CCOCC3)nc2)c1,ZAAAAUXDVBSKBE-FMIVXFBMSA-N
rxn:5:189212:226732:228062,N#Cc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cncc3c2CCCO3)cc1C(F)(F)F,GGZHIKNKXWNOHX-UHFFFAOYSA-N
rxn:5:189212:226980:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCOCC3)cs2)c(-c2cccc3c2C(=O)CCC3)c1,BOVLHNUGUNYKPE-UHFFFAOYSA-N
rxn:5:189212:227205:223269,CC(=O)Nc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)cc1F,SZKYFFHSDGNHFY-UHFFFAOYSA-N
rxn:5:189212:227359:227679,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OC(F)(F)O3)c1C,LYBDAAYGVDHSSX-UHFFFAOYSA-N
rxn:5:189212:227386:227197,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnn(C4CCCCC4)c3)cc2C1=O,FLNQTIOJNGTABW-UHFFFAOYSA-N
rxn:5:189212:227386:227340,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnn(C3CCCCC3)c2)ccc1C,JXXSSNDDJWYMIN-UHFFFAOYSA-N
rxn:5:189212:227449:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)c(-c2ccc(C3CCOCC3)s2)c1,YXZKPAVLDDFHKJ-UHFFFAOYSA-N
rxn:5:189212:227863:226738,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1,YSDHEEYABBLEOP-UHFFFAOYSA-N
rxn:5:189212:227996:226084,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)C(=O)CCCC3)c(C)c1,AKRKZHHXEUIKLJ-UHFFFAOYSA-N
rxn:5:189212:228066:226747,CCc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OCCO3)cc1C(F)(F)F,QPPHWUBUIIXKTG-UHFFFAOYSA-N
rxn:5:189212:228077:226177,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccnc(C3CCCCC3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,MELHMXBTZMZWKY-UHFFFAOYSA-N
rxn:5:189212:228320:226411,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)ccn1,ZQNMKNUUTNSOLF-UHFFFAOYSA-N
rxn:5:189212:228895:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)c1,YYBULMNHLCCWHE-UHFFFAOYSA-N
rxn:5:189320:223061:223007,CC(C)(C)OC(=O)c1cnc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1,YNIJWVSEUSACCS-UHFFFAOYSA-N
rxn:5:189672:226901:226900,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccc(S(F)(F)(F)(F)F)cc1,FKHCRJBVVZONQA-PUHLOBNQSA-N
rxn:5:189674:223389:226837,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1/C=N/S(=O)C(C)(C)C,CCCLGAZHPDDSBD-WXMAUWIXSA-N
rxn:5:189675:226836:227385,Cc1nc(C(C)(C)C)ncc1-c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c(/C=N/S(=O)C(C)(C)C)c1,DTOSFLQEXHHYCX-JJKQSNDFSA-N
rxn:5:189676:223144:226901,O=C(Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2ccc(N3CCC(O)C3)cc2)c1)N1CCCC1,TVJYDBSSGUEDPH-UHFFFAOYSA-N
rxn:5:189676:226835:228496,CC(C)n1nc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCCC2)ccc1-c1cnn(CC(F)(F)F)c1,PKVIOEIZAGXPKR-UHFFFAOYSA-N
rxn:5:189829:223389:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2c(C)n[nH]c2C(F)(F)F)c1OC,YERDZSIUWUERCP-UHFFFAOYSA-N
rxn:5:189908:228200:225794,c1cc(-c2cnc(-c3cnc(OC4CCCCC4)nc3)c(OCC3CCCCC3)c2)n(C2CCCC2)n1,YCQSELKILCAFRH-UHFFFAOYSA-N
rxn:5:189910:227562:225833,COc1ccc(F)c(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(CCN3CCOCC3)c2)c1OC,IIMLSMUOCSEKSP-UHFFFAOYSA-N
rxn:5:189952:228100:226837,CCCn1nc(C)c(-c2cc(C(=O)N3CCOCC3)cc(-c3c(C)nn(CC(F)(F)F)c3C)c2OC)c1C,ZLIDWPWKVIICNG-UHFFFAOYSA-N
rxn:5:189952:228176:226149,COCc1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(OC)c(C(C)(C)C)c3)c2OC)cc1F,HVUSBKRJHCPMME-UHFFFAOYSA-N
rxn:5:190127:225684:227574,COc1c(F)ccc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C(=O)N2CCC(OC)CC2)c1OC,TWPHVWYHPXJDFV-UHFFFAOYSA-N
rxn:5:190127:225810:227055,COc1ccc(-c2ccc(-c3ccc(OC)c(C4CC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c(C2OCCO2)c1,UJDRRZCEQVDORY-UHFFFAOYSA-N
rxn:5:190127:228255:222982,COc1c(-c2ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C(=O)N3CCC(OC)CC3)c2)ccc(C)c1F,OVKPUWHIDDRWBL-RUZDIDTESA-N
rxn:5:190127:228612:222982,COc1cccc(-c2ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1C,YGCZKHADJLDUCI-AREMUKBSSA-N
rxn:5:190128:225868:227361,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(N3CCOCC3)c(F)c2)c(OC)cc1C,DHZUCLXEFXGPTB-UHFFFAOYSA-N
rxn:5:190128:225884:225705,COc1cnc2c(-c3cc(C(=O)N4CCC(OC)CC4)ccc3-c3ccc(C4COCCO4)c(F)c3)cc(C)cc2n1,QWIHJYNGDXWDFV-UHFFFAOYSA-N
rxn:5:190128:227349:225613,COc1cc(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccnc(OC3CCCCC3)c2)c1OC,IHFICSKRAOUUMS-UHFFFAOYSA-N
rxn:5:190128:228324:223148,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccccc2C2CNCCO2)c(OC)cn1,KWSMRQCLVRIMMS-UHFFFAOYSA-N
rxn:5:190131:223389:227800,COc1c(-c2cc(F)nc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,NXCJIHYTOHKJBV-UHFFFAOYSA-N
rxn:5:190132:227562:226583,COc1ccc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1OC,RZRBLDCFCWCALK-UHFFFAOYSA-N
rxn:5:190177:225466:226900,CC1CCCCN1c1ccc(-c2ccc(N3C(=O)CC(Sc4ccc(-c5ccc(S(F)(F)(F)(F)F)cc5)cc4)C3=O)cc2)cc1,MEJJGVXQSMKWJC-UHFFFAOYSA-N
rxn:5:190177:226900:226774,O=C1CC(Sc2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,GIXFWDLBTSCSKO-UHFFFAOYSA-N
rxn:5:190194:227540:222959,COc1c(F)cc(SC)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1ccc(C2CCNCC2)c(C)c1,UHSCWXOSXQMOOS-UHFFFAOYSA-N
rxn:5:190194:228176:225874,COCc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(F)c(N3CCOCC3)c2)cc1F,HZDCLGIRAVRERV-UHFFFAOYSA-N
rxn:5:190195:227458:226027,CN1CCOc2cc(-c3ccc(CN(C)C4CCOCC4)cc3-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cnc21,SIUKOWJYURJEJX-UHFFFAOYSA-N
rxn:5:190195:227562:226146,COc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(SC3CCCC3)cc2)c1OC,CPPMZMNWVDLSJT-UHFFFAOYSA-N
rxn:5:190197:226783:226919,COc1cc(F)c(F)c(OC)c1-c1cc(-c2cccc(C3CCCC3)c2)ccc1CN(C)C1CCOCC1,WFBYJQWAHVOSFD-UHFFFAOYSA-N
rxn:5:190199:227768:225809,CN(Cc1cc(-c2cc(F)ccc2OC2CCOC2)ccc1-c1cccn1S(=O)(=O)N(C)C)C1CCOCC1,XQCRIGAKRGILDX-UHFFFAOYSA-N
rxn:5:190201:226837:228653,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnn3c2CCCC3)c(CCN2CCOC(C)C2)c1,ZINUPMBEGKYKLR-UHFFFAOYSA-N
rxn:5:190264:227875:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc4c3CCCO4)c2)CC1,XAMRYRMXIVZOIM-UHFFFAOYSA-N
rxn:5:190264:228391:226900,CC1CCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3cccc(C(F)(F)F)c3)c2)CC1,DCOOTOWRWRSMBH-UHFFFAOYSA-N
rxn:5:190265:222991:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc(N4CCCC(O)C4)cc3)c2)C1,GXPRUTPQCVCVMU-UHFFFAOYSA-N
rxn:5:190265:227872:226900,CC1CCCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3ccc4c(c3)CCC4=O)c2)C1,NKGIZKWMMWWUJI-UHFFFAOYSA-N
rxn:5:190265:227920:226901,CCC(=O)c1ccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,BEYPCTCRTNYFDB-UHFFFAOYSA-N
rxn:5:190265:228415:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cc(F)ccc3C(F)F)c2)C1,LNPASBZOROJELW-UHFFFAOYSA-N
rxn:5:190299:223388:226854,COc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3c(F)ccc(OC)c3[N+](=O)[O-])cc2)C1=O,BBWWZMZVYFQION-UHFFFAOYSA-N
rxn:5:190299:226899:228206,COc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(N(C)C)c3)cc2)C1=O,BQGHZMBACUDNAA-UHFFFAOYSA-N
rxn:5:190299:226899:228231,COc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(N(C)C)cc3F)cc2)C1=O,MJMMRVZDHQOVBO-UHFFFAOYSA-N
rxn:5:190299:228206:226899,COc1ccc(-c2cc(F)cc(N(C)C)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,KBLUACFBHFZNDR-UHFFFAOYSA-N
rxn:5:190299:228231:226899,COc1ccc(-c2ccc(N(C)C)cc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,ZFONXDLZMJQKIC-UHFFFAOYSA-N
rxn:5:190337:226837:228680,CCCn1nc(C)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,FEQFWGOYKMLUIA-UHFFFAOYSA-N
rxn:5:191945:222404:225937,CC(=O)c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)c(-c2cc(C(F)(F)F)ncc2C(C)C)cc1[N+](=O)[O-],DOSTZIVXAPKARE-UHFFFAOYSA-N
rxn:5:192235:225940:226837,COc1cc(-c2cc(C(F)(F)F)cnc2C2CC2)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1S(N)(=O)=O,CXPSRXMALPHPHO-UHFFFAOYSA-N
rxn:5:192235:226835:225936,COc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2cc(C(F)(F)F)cnc2C(C)C)cc1S(N)(=O)=O,BHISXGMONBMDMO-UHFFFAOYSA-N
rxn:5:192235:226835:226036,COc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2cc(C(F)(F)F)cc(F)c2OC)cc1S(N)(=O)=O,QPDJYWFREWOLDV-UHFFFAOYSA-N
rxn:5:192235:226836:226033,COc1cc(-c2cn(C(C)C)nc2C(F)(F)F)c(-c2cc(OC)c(F)c(C(F)(F)F)c2)cc1S(N)(=O)=O,FVALVQGYOHTGGH-UHFFFAOYSA-N
rxn:5:192236:225927:225631,COc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,IVCAMPIVIRABCM-UHFFFAOYSA-N
rxn:5:193046:226050:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2c(F)cc(OC(F)(F)F)cc2F)cc(C(C)(C)C)cc1[N+](=O)[O-],RERXHXWASBIHDK-UHFFFAOYSA-N
rxn:5:193051:225871:225871,O=C1CCCN1Cc1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,GXVJIVNZROQBKG-UHFFFAOYSA-N
rxn:5:193052:226900:225822,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1cccc(C(F)(F)F)c1C1CC1)N1CCCC1,YQXDDUXFKCRHLG-UHFFFAOYSA-N
rxn:5:193230:226899:226899,O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1,VOEVCRYAFJUCTI-UHFFFAOYSA-N
rxn:5:193329:225810:223164,COc1ccc(-c2ccnc(OC3CCCCC3)c2-c2cc(F)c(F)c(NC3CC3)c2)c(C2OCCO2)c1,NJXWCYLNORLWLN-UHFFFAOYSA-N
rxn:5:193331:225810:223130,COc1ccc(-c2ccc(CN3CCOCC3)c(-c3ccc(CN4CC(O)C4)cc3)c2)c(C2OCCO2)c1,IFHMSDFESCOMJP-UHFFFAOYSA-N
rxn:5:193333:222991:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1ccc(N3CCCC(O)C3)cc1)OCCO2,JOMGPPHLGNVHAE-UHFFFAOYSA-N
rxn:5:193335:225514:226464,COc1ccc2c(c1-c1cccc(-c3cccc4c3OCC3(CC3)CO4)c1CN1CCOCC1)OCCO2,MRXQITKECOTSIU-UHFFFAOYSA-N
rxn:5:193337:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(CN3CCOCC3)c1)OCCO2,AFTBVUHVBUNLKB-UHFFFAOYSA-N
rxn:5:193382:223139:227364,COc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c(OC)c1C,MFCCOOWMSWDXTJ-UHFFFAOYSA-N
rxn:5:193382:223388:222995,O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCCC(O)C4)c3)c2)cc1,YOVULAIVPQMAAJ-UHFFFAOYSA-N
rxn:5:193382:223389:223186,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnn(C3CCCCO3)c2)c1,LQHJGMBVEGHRJQ-UHFFFAOYSA-N
rxn:5:193382:225987:228720,Cc1cnn(C(C)C)c1-c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1S(=O)(=O)N1CCOCC1,UIDVLLXOVOQJBR-UHFFFAOYSA-N
rxn:5:193382:228501:227613,Cn1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(C4CCOCC4)c3)c2)c1C(F)(F)F,UINZZZRMXNAICS-UHFFFAOYSA-N
rxn:5:193462:228653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn3c2CCCC3)cc1CN1CCC(=O)CC1,GVMLMBMSCZELMY-UHFFFAOYSA-N
rxn:5:193463:226686:223389,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCC(=O)CC2)c(-c2c(C)n[nH]c2C(F)(F)F)c1,XBZGMNBLOOZPGS-UHFFFAOYSA-N
rxn:5:193465:223173:226774,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(OC(F)=C(F)F)cc2)c1-c1ccc2c(c1)C(O)CS2(=O)=O,MDNKUTXCNAUALG-GZWBLTSWSA-N
rxn:5:193465:226042:227552,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2CC(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,ILVYWEMHSNBUQU-INIZCTEOSA-N
rxn:5:193465:226884:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1c(F)cc(C(F)(F)F)cc1F,WYFXEFXPPRPFSO-AWEZNQCLSA-N
rxn:5:193465:226901:226187,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(C3CCOCC3)c2)c1-c1cccc(S(F)(F)(F)(F)F)c1,PJLCNQIIHBZGQF-FQEVSTJZSA-N
rxn:5:193465:227506:225871,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1cccc(/C=C/[N+](=O)[O-])c1,GAIUSOMPCZHXPV-UQCBTIDJSA-N
rxn:5:193466:225871:227065,CC(C)C(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@H]3C)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)c1,UFSAJLDLMZYGDF-OAQYLSRUSA-N
rxn:5:193467:226054:226966,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(=O)CCC3)ccc1-c1cnc(C(F)(F)C(F)(F)F)nc1,SHHXBYQUSGXRSB-INIZCTEOSA-N
rxn:5:193467:227761:222993,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCCC3O)c2)ccc1-c1ccc(F)cc1C(F)(F)F,XRGWDXVROFOBML-ZAFBDEJNSA-N
rxn:5:193468:225926:227746,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cccc1-c1cccc(C(F)(F)F)c1F,HGCJVWRLJVYSCP-SFHVURJKSA-N
rxn:5:193468:226041:227125,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2C2CCOC2)cccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,MWYUSOWSCSEBPZ-OYKVQYDMSA-N
rxn:5:193468:226042:223215,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)NC(=O)CC3)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,ZHYPLVYXEVYKOB-INIZCTEOSA-N
rxn:5:193468:226130:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(CN3CCCC3)cc2)cccc1-c1ccc(S(F)(F)(F)(F)F)cc1,ZSPBVNLGKXRVNZ-NRFANRHFSA-N
rxn:5:193506:226652:228922,COc1ccnc(F)c1-c1cc(-c2cc(C)nn2C2CCCCO2)ccc1S(=O)(=O)N1CCC(=O)CC1,IHSSMCWXIRDTHI-UHFFFAOYSA-N
rxn:5:193506:227739:228193,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCC4)c3)c2)cnc1C(F)(F)F,QXAFUQKKNRQQIN-UHFFFAOYSA-N
rxn:5:193506:228498:226571,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(CC4CCOCC4)c3)c2)c(C(F)(F)F)n1,ACPDCZLBJRCUME-UHFFFAOYSA-N
rxn:5:193506:228867:226652,CCc1nc(OC)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C)nn3C3CCCCO3)c2)s1,QFTNYRMQNAYELF-UHFFFAOYSA-N
rxn:5:193506:228967:226571,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(CC4CCOCC4)c3)c2)c(C(F)F)n1,AJFKNTFFOHEHMI-UHFFFAOYSA-N
rxn:5:193506:229061:225794,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(OC4CCCCC4)nc3)c2)cn1,MAZWWOVRCLYHRG-UHFFFAOYSA-N
rxn:5:193653:222409:225927,COc1ccc(-c2ccc(C=C3N=C(c4ccc(-c5cc(C(F)(F)F)ccc5N(C)C)cc4)OC3=O)cc2)cc1S(N)(=O)=O,DCNIEYUMLLSFBS-UHFFFAOYSA-N
rxn:5:193653:225394:226900,O=C1OC(c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)=NC1=Cc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)cc1,AUJZQXMDUUIBQG-UHFFFAOYSA-N
rxn:5:193653:225584:226901,O=C1OC(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)=NC1=Cc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1,JETAYTDQDNQYME-UHFFFAOYSA-N
rxn:5:193653:226040:223189,Cc1c(-c2ccc(C=C3N=C(c4ccc(-c5ccc(NS(C)(=O)=O)cc5F)cc4)OC3=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],YAHLNLPJZVRIOM-UHFFFAOYSA-N
rxn:5:193681:226464:225832,COc1ccc2c(c1-c1ccc(-c3c(C)nn(C4CCCCO4)c3C)c(OC3CCN(C)CC3)c1)OCCO2,PTTRLHWPYLKXLM-UHFFFAOYSA-N
rxn:5:193710:223189:226040,Cc1c(-c2ccc(C=C3SC(=S)N(c4cccc(-c5ccc(NS(C)(=O)=O)cc5F)c4)C3=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],VIHASLLPLTUOBT-UHFFFAOYSA-N
rxn:5:193710:223295:226040,Cc1c(-c2ccc(C=C3SC(=S)N(c4cccc(-c5cncc(NS(C)(=O)=O)c5)c4)C3=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],JOBSQPQYKNLETG-UHFFFAOYSA-N
rxn:5:193710:226040:223189,Cc1c(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(NS(C)(=O)=O)cc5F)cc4)SC3=S)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],GWDBPPLSXOPVGF-UHFFFAOYSA-N
rxn:5:193752:223216:226900,CC1CCCN(C(=O)c2ccc(-c3ccc4c(c3)CCC(=O)N4)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,ZLCFHIHVQDTNBV-UHFFFAOYSA-N
rxn:5:193809:227556:223062,COc1cc(-c2ccc(CN3CCC(C)CC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc(OC)c1F,BEHZKRNPGMANLW-UHFFFAOYSA-N
rxn:5:193869:226837:228866,COCc1noc(C)c1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1C,UTEHLUFBFHNHJI-UHFFFAOYSA-N
rxn:5:193869:227766:228867,CCc1nc(OC)c(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cc(C(F)(F)F)nn3CC)cc2C)s1,MSBBEIHMVUHDNL-UHFFFAOYSA-N
rxn:5:193870:226836:227875,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCCO3)cc1-c1cn(C(C)C)nc1C(F)(F)F,PTOZGFHJOSOAIR-UHFFFAOYSA-N
rxn:5:193870:228680:227766,CCCn1nc(C)cc1-c1cc(-c2cc(C(F)(F)F)nn2CC)c(S(=O)(=O)N2CCCCC2)cc1C,QZWBIOGQNRYITJ-UHFFFAOYSA-N
rxn:5:193870:229048:226898,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)cc1-c1cnn2c1CCC2,VOPFINQSQDEVCD-UHFFFAOYSA-N
rxn:5:193932:226900:223216,CC1CC(C)CN(C(=O)c2ccc(-c3ccc4c(c3)CCC(=O)N4)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,BHEQZYYNQIRZAW-UHFFFAOYSA-N
rxn:5:193932:228417:226901,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc(F)c(C(F)F)c3)c2)C1,ZHFZFTMUIAAXFS-UHFFFAOYSA-N
rxn:5:193967:223340:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)NCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,GHRSBAUSZQWWFR-UHFFFAOYSA-N
rxn:5:193967:223360:227067,CNCc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(OC)cc3C3CC3)c2)c1F,XLLVDBFKQLWBMX-UHFFFAOYSA-N
rxn:5:193967:226464:223340,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)NCCO4)c1)OCCO2,JFNPKRGVFRIAPA-UHFFFAOYSA-N
rxn:5:193967:226464:223342,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)OCCN4)c1)OCCO2,IJRDYPDKMOPWRK-UHFFFAOYSA-N
rxn:5:193967:226464:223396,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)NCC4)c1)OCCO2,OBINAGRXLWJEGO-UHFFFAOYSA-N
rxn:5:193967:226464:227807,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCCC4)c1)OCCO2,QKKBFPUWHRBJOS-UHFFFAOYSA-N
rxn:5:193967:226464:227808,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCCC4)c1)OCCO2,HKKJTMADMNLHAH-UHFFFAOYSA-N
rxn:5:193967:226464:227861,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cnc4c(c3)CCCC4)c1)OCCO2,RTKOUEAEUNEOAQ-UHFFFAOYSA-N
rxn:5:193967:226464:228503,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCC4)c1)OCCO2,SDPHWQPMEDULQA-UHFFFAOYSA-N
rxn:5:193967:226464:228504,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCC4)c1)OCCO2,UDDBKOFNFNIDLX-UHFFFAOYSA-N
rxn:5:193967:226464:228524,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cnc4c(c3)CCC4)c1)OCCO2,MUPSOKWGCVZBJJ-UHFFFAOYSA-N
rxn:5:193967:226464:228531,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCO4)c1)OCCO2,FYHRIMLFJNYAHA-UHFFFAOYSA-N
rxn:5:193967:228200:227982,COc1cc(C)cc(-c2cc(-c3ccnn3C3CCCC3)ccc2CN2CCC3(CC2)OCCO3)c1C,HTVXIEUKPGWAQE-UHFFFAOYSA-N
rxn:5:193967:228504:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3CCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,OGINENKTWHNRTM-UHFFFAOYSA-N
rxn:5:193967:228530:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)OCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,YRMVKVBNAXPMQR-UHFFFAOYSA-N
rxn:5:193967:228531:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3CCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,LDLYFBINNUGBMR-UHFFFAOYSA-N
rxn:5:193967:228540:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3COC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,CJJCGMADRRABJV-UHFFFAOYSA-N
rxn:5:193967:228541:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)COC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,WYDJNYUSEBGZGK-UHFFFAOYSA-N
rxn:5:193968:223340:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)NCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,CYUMCTBBQXZTMD-UHFFFAOYSA-N
rxn:5:193968:226185:228778,COc1cccc(-c2ccc(-c3ccc(C4CCOCC4)cc3)cc2CN2CCC3(CC2)OCCO3)c1F,PTPHZRRLIXAUOO-UHFFFAOYSA-N
rxn:5:193968:226464:223340,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)NCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,CIRXOLNXKUPOCY-UHFFFAOYSA-N
rxn:5:193968:226464:223396,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)NCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,USWHFZOEIWTWHJ-UHFFFAOYSA-N
rxn:5:193968:226464:226971,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,QMICKJWFGCBJGC-UHFFFAOYSA-N
rxn:5:193968:226464:227807,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,KVGSRKVVVLMXIL-UHFFFAOYSA-N
rxn:5:193968:226464:227861,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)CCCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,ZEVFHMGNGIDOAV-UHFFFAOYSA-N
rxn:5:193968:226464:228504,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,BJWWJOXZVIQWOE-UHFFFAOYSA-N
rxn:5:193968:226464:228524,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)CCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,CNAYWRLOOCPQAJ-UHFFFAOYSA-N
rxn:5:193968:226464:228527,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,UPNXQFZDBOEFCI-UHFFFAOYSA-N
rxn:5:193968:226464:228531,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,SAZPYNXBNKBRMW-UHFFFAOYSA-N
rxn:5:193968:226464:228540,COc1ccc2c(c1-c1ccc(-c3cccc4c3COC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,FCTPRJVUPWATJS-UHFFFAOYSA-N
rxn:5:193968:226464:228541,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)COC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,RXXZELAQOVCGAE-UHFFFAOYSA-N
rxn:5:193968:226971:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FEXNOKAXADVJSJ-UHFFFAOYSA-N
rxn:5:193968:228504:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FJWWEKHTNRPZIU-UHFFFAOYSA-N
rxn:5:193968:228531:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,NRGVAVPUVTVUDS-UHFFFAOYSA-N
rxn:5:193968:228541:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)COC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,YEAUQQZFHJJLSB-UHFFFAOYSA-N
rxn:5:193972:228653:227788,Cc1cc(-c2cnn3c2CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(F)(F)F)cnc1F,MFAYEAOBURXATN-UHFFFAOYSA-N
rxn:5:194561:227802:227507,O=C(c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1-c1cccc(C=C[N+](=O)[O-])c1)N1C2CCC1COC2,HKPDMJCPOOYZAT-UHFFFAOYSA-N
rxn:5:194733:226900:228504,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cccc2c1CCC2)N1C2CCC1CC(=C1CC1)C2,CPIMGAQULIWBDC-UHFFFAOYSA-N
rxn:5:194733:227451:226901,O=C(c1cc(-c2ccc(C3CC3(F)F)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,TUYMPYQZAGRDKD-UHFFFAOYSA-N
rxn:5:194733:227552:228790,O=C(c1cc(-c2ccccc2CC(F)(F)F)ccc1-c1cccc(C(F)F)c1)N1C2CCC1CC(=C1CC1)C2,BXNXJGHUVKSDSE-UHFFFAOYSA-N
rxn:5:194733:227563:226900,O=C(c1cc(-c2cccc(CC(F)(F)F)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,WXYCXVRKABYETD-UHFFFAOYSA-N
rxn:5:194733:227590:227829,O=C(c1cc(-c2ccc(CC(F)(F)F)cc2)ccc1-c1ccccc1C1CCC1)N1C2CCC1CC(=C1CC1)C2,WYXLAJHDWJJFOC-UHFFFAOYSA-N
rxn:5:194733:227663:228508,Cc1ccc(-c2ccc(-c3cccc(C(C)C)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1C(F)(F)F,CKNXRFRMMPTJPJ-UHFFFAOYSA-N
rxn:5:194733:228829:227897,Cc1c(F)cc(-c2ccc(-c3cccc(C=CC#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,BTXLZEQREHDOLY-UHFFFAOYSA-N
rxn:5:196198:225617:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(OC3CCCCO3)cc2)c1,ROXOSDRWAOTDCZ-UHFFFAOYSA-N
rxn:5:196198:225871:226197,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc(C3CCCOC3)cc2)c1,GRKRRJOQGQYSNV-UHFFFAOYSA-N
rxn:5:196533:225943:227505,O=C(c1ccc(-c2ccc(N3C(=O)CC(c4ccc(/C=C/[N+](=O)[O-])cc4)C3=O)cc2)s1)N1CCOCC1,BSDUVFITGWJVCX-VAWYXSNFSA-N
rxn:5:196533:226187:225871,O=C1C=CC(=O)N1c1cccc(C2CC(=O)N(c3ccc(-c4cccc(C5CCOCC5)c4)cc3)C2=O)c1,XWJSZXAOZJMTDJ-UHFFFAOYSA-N
rxn:5:196533:227625:225832,Cc1nn(C2CCCCO2)c(C)c1C1CC(=O)N(c2ccc(-c3cnc(C4CCCO4)nc3)cc2)C1=O,RGKUNGRCIAIIDU-UHFFFAOYSA-N
rxn:5:196792:226332:225926,O=C(c1ccccc1-c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1N1CCOCC1=O)N1CCC1,ZBSVPFYWZPIZHP-UHFFFAOYSA-N
rxn:5:196916:227103:225616,O=C(c1ccccc1-c1ccc(N2CCCCC2=O)c(-c2sccc2C2CCCCC2)c1)N1CCCC1,VWPZAWMKXPDANF-UHFFFAOYSA-N
rxn:5:196918:226652:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cc(C)nn2C2CCCCO2)cccc1N1CCCCC1=O,YBXGIPCZRIJNFC-UHFFFAOYSA-N
rxn:5:196919:225452:223130,CC1(C)COC(c2ccc(-c3ccc(OC4C=CCCC4)cc3)cc2-c2ccc(CN3CC(O)C3)cc2)=N1,JPVWQBRTWLGZSC-UHFFFAOYSA-N
rxn:5:197526:226469:226038,COc1cc(C(F)(F)F)c(F)cc1-c1c(-c2ccc3c(c2)N(C)C(=O)CO3)ccc2c1C(=O)CN2C(C)=O,MYIJYDVGLLEQGO-UHFFFAOYSA-N
rxn:5:197876:226050:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3c(F)cc(OC(F)(F)F)cc3F)cc2S1(=O)=O,NSUAIGSZNOIYTK-UHFFFAOYSA-N
rxn:5:197876:226837:228102,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cncnc1CC(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,VEOUSBBQNXKIOT-UHFFFAOYSA-N
rxn:5:197876:226837:228653,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cnn3c1CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,XHUIQUKOEHNKKB-UHFFFAOYSA-N
rxn:5:197876:226837:229084,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1scnc1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,ABWNNUBNVLDKFW-UHFFFAOYSA-N
rxn:5:197876:228062:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cncc3c1CCCO3)S(=O)(=O)N(C(C)(C)C)C2=O,DFYNYCYRGLDJMF-UHFFFAOYSA-N
rxn:5:197876:228653:227767,CCn1cc(-c2cc3c(cc2-c2cnn4c2CCCC4)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(F)(F)F)n1,ZODXFNUQMVGLOA-UHFFFAOYSA-N
rxn:5:199281:226836:226836,CC(C)n1cc(-c2cc3c(cc2-c2cn(C(C)C)nc2C(F)(F)F)N(C)C(=O)CC3)c(C(F)(F)F)n1,GEMRANNRLFOHKO-UHFFFAOYSA-N
rxn:5:227872:178295:227680,COC(=O)C1(c2cc(-c3cccc4c3OC(F)(F)O4)ccc2-c2ccc3c(c2)CCC3=O)CCC(=O)CC1,AZWJCGVVBOJRBS-UHFFFAOYSA-N
rxn:4:173293:223812,C#Cc1cc(F)c(OCCCOC)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,NOTQZDQYNPFFGP-UHFFFAOYSA-N
rxn:4:173340:222634,CCOC(=O)CC(=O)c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc(C(F)(F)F)c1,BLIKEWKWIYEGMT-UHFFFAOYSA-N
rxn:4:173442:223712,CCOC(=O)C(C)(C)COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,NBGJZBOCAGLZIM-UHFFFAOYSA-N
rxn:4:173729:223598,C#Cc1cccc(OCCOC)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,ASYSYYKZKVENIS-UHFFFAOYSA-N
rxn:4:173802:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,WTJQYCBHCJDJPL-UHFFFAOYSA-N
rxn:4:174309:224022,Cc1c(OCC(=O)OC(C)(C)C)cccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,RLFUKAIVBDNHSQ-UHFFFAOYSA-N
rxn:4:174390:223670,COC(=O)c1cc(C)cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1OCc1ccccc1,JYXBFZBDNDCOIF-UHFFFAOYSA-N
rxn:4:174406:222389,COC(=O)C1(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC(OC)(OC)C1,QZTIUQMIOUHJTF-UHFFFAOYSA-N
rxn:4:174435:224552,CCCCOc1c(-c2cc(F)cc(COC3CCCCC3)c2)cc(C)cc1C1OCCO1,BJODHCKPZPLOJZ-UHFFFAOYSA-N
rxn:4:174485:222704,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C2CCNCC2)c(C(F)(F)F)c1,NYNVROAEQUSKMO-UHFFFAOYSA-N
rxn:4:174492:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(C)(F)F)c(OCCC4CCCCC4)c3)c(F)c2)CC1,SMGDVWCEIQARMP-HCGLCNNCSA-N
rxn:4:174556:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC(=O)Oc4ccc5ccccc5c4)cc3)ccc2F)CC1,JAWUGZADUUKYEM-UHFFFAOYSA-N
rxn:4:174663:223712,COc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C12CC3CC(CC(C3)C1)C2,GNLGSDAHUBZMOM-NRFAPCQMSA-N
rxn:4:174663:224900,COc1cc(-c2ccccc2)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,BGPAVGPNHXORAF-JKUFBEDSSA-N
rxn:4:174663:225109,CC(C)(C)OC(=O)Oc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,QYFUVVPHOYQICQ-CQAAYFSLSA-N
rxn:4:174663:225369,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)c([N+](=O)[O-])c1,NFZIJDOXDQYYQZ-FVGXOMELSA-N
rxn:4:174663:225635,Cc1cc(C)n(-c2cccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c2)n1,WGFYAMYLHJVLKT-HTDAYYDWSA-N
rxn:4:174663:226260,COCC(C)Oc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,WMSMPAHMNQWFJU-VQRRQNNSSA-N
rxn:4:174663:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,AZZXVZOFDVVVFE-FQEXLZSCSA-N
rxn:4:174663:227087,Cc1cnc(C(C)(C)C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,UCXIQXNKKXLFGW-XHCDPWOSSA-N
rxn:4:174663:227247,CCCOc1cc(F)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,WTWCOFUUYKBZGA-AMNGXLNPSA-N
rxn:4:174663:227871,Cc1sc2ccccc2c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,MAHSDOIKHUDIHY-QCTLADKUSA-N
rxn:4:174663:228053,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3ncncc3c2)cc1,VOFAHJXSWYSKBM-OUYRWIGOSA-N
rxn:4:174663:228288,Cc1ccc2nc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)nn2c1,CSJHTMMSPWSBOT-QQXXBIGFSA-N
rxn:4:174663:228648,Cc1cc(C)c(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,LILQFKHQDFQDAZ-PDMVVSJHSA-N
rxn:4:174663:228659,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3cncn3c2)cc1,CSEUULTXJNMZKX-XVDHNCDISA-N
rxn:4:175056:223834,CCOC(=O)c1c(F)ccc(OC)c1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,RRDKTJPHDZDXSW-UHFFFAOYSA-N
rxn:4:175079:223786,CCOc1cc(C(=O)OC)c(F)cc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,GTWSBMCTEYZXKQ-UHFFFAOYSA-N
rxn:4:175343:223939,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,UZSAITOZSZNFJY-UHFFFAOYSA-N
rxn:4:175510:223786,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1CC(C)C,YMDZKZULCUDGCL-UHFFFAOYSA-N
rxn:4:175819:223953,CCOc1c(OC)cc(-c2cc(F)cc(N3CCN(CCOC)CC3)c2)cc1C1OCCO1,PQIOVJJPFQBBTC-UHFFFAOYSA-N
rxn:4:175908:223836,COc1cc(C2OCCO2)c(-c2cc3c(OC)ncnc3n2C(=O)OC(C)(C)C)c(OC)c1OC,TUUCFAOREUQWJJ-UHFFFAOYSA-N
rxn:4:175931:223542,Cc1cc(OCCC2OCCO2)cc(C)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,XZALIKIFFHDIKC-UHFFFAOYSA-N
rxn:4:176018:222616,COc1cc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)c(F)cc1OCC1CCCCC1,USRDEYRCFKPRLF-UHFFFAOYSA-N
rxn:4:176215:223812,COCCOC1CCCOc2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccc21,WGWANYGFOSQWMR-UHFFFAOYSA-N
rxn:4:176215:223815,COCCOC1CCCOc2cc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)ccc21,AHJXEFSIQOXSET-UHFFFAOYSA-N
rxn:4:176316:226901,FC(F)(F)COc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C1C2CC3CC(C2)CC1C3,GWMMZLIKOWYQAF-UHFFFAOYSA-N
rxn:4:176703:223598,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,MHSGIGMQKWUKDU-UHFFFAOYSA-N
rxn:4:177079:223608,O=S(=O)(c1cc(-c2ccc(C(F)(F)F)c(OC3CC3)c2)ccc1OC(F)(F)F)N1CCOCC1,NROVPDAZVKGEHO-UHFFFAOYSA-N
rxn:4:177274:223529,CC(C)OCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1Cl,LBLLSBPWOQMKNX-UHFFFAOYSA-N
rxn:4:177737:222426,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,VCVRCJVALXPTGE-UHFFFAOYSA-N
rxn:4:177884:222426,CC(=O)c1ccc(Oc2cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)cc1,YBBWFPCPCLLDPR-UHFFFAOYSA-N
rxn:4:178184:222684,CC(C)Oc1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc(C2OCCO2)c1F,ATLYZGACMRHSFT-UHFFFAOYSA-N
rxn:4:178474:223785,CCOC(=O)c1oc(-c2ccc(OCCN3CCN(CC)CC3)c(Cl)c2)c2c1CCCC2,OXIMPVZTQGMTLL-UHFFFAOYSA-N
rxn:4:179653:222913,O=S(=O)(NCc1ccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc1)C1CC1,HTCUFRZTAIWYKY-UHFFFAOYSA-N
rxn:4:179859:223606,CC1=CC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)OC1=O,MDFFWDQYYDDCCU-UHFFFAOYSA-N
rxn:4:180680:223606,COC(=O)C1SCc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2C1=O,AHSIQMLYQJWXMV-UHFFFAOYSA-N
rxn:4:180815:224714,CCCCOc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C(F)(F)F,ZOYFFXMOUMVHHZ-UHFFFAOYSA-N
rxn:4:182268:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(C)(=O)=O)c(F)c2ccccc12,CYDGNNZSPIXJQX-UHFFFAOYSA-N
rxn:4:182278:223659,COc1cc2c(cc1-c1cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c1)CCCC2=O,UMWLUNHDKKRCIW-UHFFFAOYSA-N
rxn:4:182354:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c2c1OC1(CCCC1)C2,GVUCXPOXRASMCS-UHFFFAOYSA-N
rxn:4:183234:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)C3(CCOC3)CC4=O)ccc2F)CC1,FQXJXAAFWVGALP-UHFFFAOYSA-N
rxn:4:183261:223682,O=C1CCC2(CC1)Cc1ccc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)cc1C2=O,BWORYDAFVPBKTI-UHFFFAOYSA-N
rxn:4:183271:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,MNYKDKFSVWNSLO-UHFFFAOYSA-N
rxn:4:183271:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1,HVYDIFZXCPBCND-UHFFFAOYSA-N
rxn:4:183271:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,HMMTYQINORBFDF-UHFFFAOYSA-N
rxn:4:183271:225892,COc1cnc(C(OC)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,WOZPJRJQXXQJSE-UHFFFAOYSA-N
rxn:4:183272:224052,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)c(F)c2)cc1,AVKQBUKGOVVYME-UHFFFAOYSA-N
rxn:4:183272:224071,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)cc1,IWUGAAWBLMNVLJ-UHFFFAOYSA-N
rxn:4:183272:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)ccc2c1,JDPKINIAECKVED-UHFFFAOYSA-N
rxn:4:183272:224470,COCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)ccc2c1,MRQHUAWVAJCDKB-UHFFFAOYSA-N
rxn:4:183272:225892,COc1cnc(C(OC)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,DZQHBJWDKMSASW-UHFFFAOYSA-N
rxn:4:183272:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GMMQTTPSDKSMQE-UHFFFAOYSA-N
rxn:4:183272:226484,COCCOc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NVVUNRWLWFGDBQ-UHFFFAOYSA-N
rxn:4:183272:226491,COCCOc1cc(Cl)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,UPVQVPZMFAIWJH-UHFFFAOYSA-N
rxn:4:183272:226913,CCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(C2CC2)c1,VMLGERCOTSZIRA-UHFFFAOYSA-N
rxn:4:183272:227481,COC(OC)c1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,XLTWOFYOKONVQX-UHFFFAOYSA-N
rxn:4:183273:224052,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(F)c2)cc1,VBSNUQZUHHMNBR-UHFFFAOYSA-N
rxn:4:183273:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,CGFISCUKKXUUPP-UHFFFAOYSA-N
rxn:4:183273:224422,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,LNBIQMRIAWPPIN-UHFFFAOYSA-N
rxn:4:183273:224470,COCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,ISYXOGZNBSSOND-UHFFFAOYSA-N
rxn:4:183273:225892,COc1cnc(C(OC)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,IVPFFHQJIXYSNU-UHFFFAOYSA-N
rxn:4:183273:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LSIOUNQFNUUZPS-UHFFFAOYSA-N
rxn:4:183273:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XCARVYQAJHZDGK-UHFFFAOYSA-N
rxn:4:183273:226484,COCCOc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WBYOVIRRPZQTMO-UHFFFAOYSA-N
rxn:4:183273:226913,CCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)c1,LLNRMDRQNHFJGX-UHFFFAOYSA-N
rxn:4:183273:227038,COc1ccc(C(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,PYRUJZCHMDDMEI-UHFFFAOYSA-N
rxn:4:183274:223311,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(C2CNC2)c1,ACLYTYXUAHUVDD-UHFFFAOYSA-N
rxn:4:183274:224052,CCCc1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c(F)c2)cc1,ZHRMXYNBFLSNPF-UHFFFAOYSA-N
rxn:4:183274:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)ccc2c1,OIVLXQMJVBIBRF-UHFFFAOYSA-N
rxn:4:183274:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ANHHFYOBOZWJJJ-UHFFFAOYSA-N
rxn:4:183274:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WSGMIUSHCPEGBO-UHFFFAOYSA-N
rxn:4:183274:226484,COCCOc1cc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UHAFWYBOIYSFIS-UHFFFAOYSA-N
rxn:4:183482:224187,CCOC(=O)C(=O)Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2F)cc1[N+](=O)[O-],YVJUDQHRJMPUEE-UHFFFAOYSA-N
rxn:4:183582:224355,CCOC(=O)c1cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cnc1C(=O)OCC,RWLWFUBQSKCMBT-UHFFFAOYSA-N
rxn:4:183590:223901,CCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,RAYLQIRGGCKFND-UHFFFAOYSA-N
rxn:4:183624:223901,CCN(CC)C(=O)COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1F,JHAUGMLTBLOKLJ-UHFFFAOYSA-N
rxn:4:183633:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCCOCc4ccccc4)nc3)cc2F)CC1,YVJNKDYIJASGRM-UHFFFAOYSA-N
rxn:4:183633:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(OCCOCc3ccccc3)nc2)CC1,YUIWKCHVZDWRJU-UHFFFAOYSA-N
rxn:4:183654:224719,COC(OC)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc(C(OC)OC)n1,ICKFFQSTVJKWRI-UHFFFAOYSA-N
rxn:4:183765:224286,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCCN3CCOCC3)c(Cl)c2)C1,MLSBHBMDCUMHDV-UHFFFAOYSA-N
rxn:4:183771:223592,CCN(Cc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1)c1ccc(OC(F)(F)F)cc1,COFVGCXIOCRMGF-UHFFFAOYSA-N
rxn:4:183798:223004,COCCOc1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1C(=O)N1CCOCC1,ZMNDCAQFKPRTHO-UHFFFAOYSA-N
rxn:4:183803:225223,CC1CCN(c2cc(F)c(-c3ccc(OC(F)(F)F)cc3OCCN3CCCCC3)cn2)CC1,WLGCXTCBURMZRN-UHFFFAOYSA-N
rxn:4:183804:222947,OC1CCCN(c2ncc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)c(Cl)n2)C1,JEWCACUOCYMDIV-UHFFFAOYSA-N
rxn:4:183808:222776,OC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)c(F)c2)CC1,SANDPPNTPUMITI-UHFFFAOYSA-N
rxn:4:183828:225898,CC(C)(C)OC(=O)N(Cc1cc(F)cc(-c2cnn(CCN3CCOCC3)c2)c1)C1CC1,XLEUXCWIFIKCAL-UHFFFAOYSA-N
rxn:4:183837:227656,COC(=O)C1CCN(C(=O)COc2ccc(-c3cc(N4CCOCC4)cs3)cc2)CC1,RPOVMSUABVFXJI-UHFFFAOYSA-N
rxn:4:183860:223951,COC(=O)CN1CCC(COc2ccccc2-c2ccc(OCCN3CCN(C)CC3)c(F)c2)CC1,MCVLYYXUNBWEJG-UHFFFAOYSA-N
rxn:4:183864:224616,COC(=O)CN1CCCC(COc2cccc(-c3ccccc3OCCN3CCOCC3)c2)C1,AMSWEEJMOJOXCU-UHFFFAOYSA-N
rxn:4:183870:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)cc12,WRTBZYLQQWWSNC-UHFFFAOYSA-N
rxn:4:183870:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2)C1,MVPSNCWVDLFFCR-UHFFFAOYSA-N
rxn:4:183870:224653,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2)C1,QJDQRKISTPXASB-UHFFFAOYSA-N
rxn:4:183876:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,IPTUAAVUWJJZPI-UHFFFAOYSA-N
rxn:4:183880:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc12,GRNLFVIGPOKEML-UHFFFAOYSA-N
rxn:4:183880:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)s2)CC1,REGRCKPAMJXKSJ-UHFFFAOYSA-N
rxn:4:183881:224158,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c(F)c2)C1,FTQHFMWXWXCHGG-UHFFFAOYSA-N
rxn:4:183882:223521,CC(c1cccc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FHVJSURDZOSOSP-UHFFFAOYSA-N
rxn:4:183882:224653,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(Cl)cc3OCC3CCCCO3)c2)C1,JXFFTRJACOONOJ-UHFFFAOYSA-N
rxn:4:183882:225829,CC1CCN(c2ncc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cn2)CC1,SZBQVXYBFYIXED-UHFFFAOYSA-N
rxn:4:183902:225515,COC1CCN(CCCOc2c(F)cccc2-c2cccc3c2OCC(C)(C)CO3)CC1,JLQBELVGAPTNKJ-UHFFFAOYSA-N
rxn:4:183906:225825,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCN(C)CC2)nc1,NTDRSIBBPLRBMN-UHFFFAOYSA-N
rxn:4:183915:226324,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cccnc2OC2CCCC2)CC1,NOXXLRUFPKMRIE-UHFFFAOYSA-N
rxn:4:183944:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,SXIUCLPBOYYVGP-UHFFFAOYSA-N
rxn:4:183959:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,UVHFRZWDBYUFGS-UHFFFAOYSA-N
rxn:4:183961:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)c2Cl)CC1,SHKPSRWZZDBWHA-QFIPXVFZSA-N
rxn:4:183961:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)ccc2C1,GCNSIQQBJMPJAN-VWLOTQADSA-N
rxn:4:183966:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(Cl)cc(OCC2CCN(C(=O)OC(C)(C)C)C2)c1,HGGRKWXNYPTCQN-UHFFFAOYSA-N
rxn:4:183969:225825,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C)CC4)nc3)c(OC)c2)CC1,ZJGYCIQGFPWQBS-UHFFFAOYSA-N
rxn:4:184016:223576,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,RBFQNVHJIDVYCD-UHFFFAOYSA-N
rxn:4:184016:223660,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1,FBQDVNMFCOVZOH-UHFFFAOYSA-N
rxn:4:184017:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1Cl,AUAAFKRSXXWMNA-UHFFFAOYSA-N
rxn:4:184017:223264,CNC(=O)c1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,FXAWGJWVFYKZHC-UHFFFAOYSA-N
rxn:4:184018:224290,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,UPRGLXTYPPUVIR-UHFFFAOYSA-N
rxn:4:184022:223818,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,FXAHEWGCWCWUEN-UHFFFAOYSA-N
rxn:4:184024:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(F)c2F)CC1,AVFHMLKMRNSZPE-UHFFFAOYSA-N
rxn:4:184024:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,OOPXLWKUCCPKLR-UHFFFAOYSA-N
rxn:4:184024:223934,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)C1,GNZXSLINUKNMBI-UHFFFAOYSA-N
rxn:4:184024:226511,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cc(Cl)cnc3OCC3CC3)c2)C1,AYFPTMSMXPGUMW-UHFFFAOYSA-N
rxn:4:184024:227584,COc1cc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(OC)c1Cl,WMRGBHIMDACQNU-UHFFFAOYSA-N
rxn:4:184026:223118,CCCC(=O)Nc1cccc(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,LNOWHVOESAPZDE-UHFFFAOYSA-N
rxn:4:184027:225233,CC1CCCN(c2cc(-c3ccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cnc2Cl)C1,WBTIHHIFSFVAOD-UHFFFAOYSA-N
rxn:4:184029:226502,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccn(C(=O)OC(C)(C)C)c3)c2F)CC1,GPCCDIUDRCAONA-UHFFFAOYSA-N
rxn:4:184030:222477,Cc1ccc(CNC(=O)c2cccc(-c3c(F)cccc3OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1,RELCGQZGKBCAPK-UHFFFAOYSA-N
rxn:4:184030:223189,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(NS(C)(=O)=O)cc2F)CC1,NWNCBSHVBCIKKO-UHFFFAOYSA-N
rxn:4:184030:223578,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cnc(N3CCCCC3)nc2OCc2ccccc2)CC1,FKDHAIJHMLFIRG-UHFFFAOYSA-N
rxn:4:184030:223637,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,BTLMYIAMEYFBGQ-UHFFFAOYSA-N
rxn:4:184030:225876,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cc(Cl)ccc2N2CCOCC2)CC1,NEUMHBATMZNTEN-UHFFFAOYSA-N
rxn:4:184205:224290,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3ccc(Cl)cc3OCCN3CCOCC3)cc(OCc3ccccc3)c2C1,XJFFVPATZBZQHG-UHFFFAOYSA-N
rxn:4:184245:224730,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C(F)(F)F)ccc2OCC(C)C)cc1)N(CCCOC(C)C)C3=O,VLKYPFDRPYHLSZ-UHFFFAOYSA-N
rxn:4:184420:223669,CCOC(=O)c1cc(C(F)F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C#N,ONGXRGQQTOBUGA-UHFFFAOYSA-N
rxn:4:184646:223589,CCOC(=O)Cc1cc(C)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1C#N,ITGXJCJZJROYKX-UHFFFAOYSA-N
rxn:4:184659:223892,COC(=O)c1cnc(OCC2CC2)c(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,SPOLASXQRYAMHQ-UHFFFAOYSA-N
rxn:4:184708:223481,CC(C)(C)OC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)nc1,QNVYGIUWIZVQQG-UHFFFAOYSA-N
rxn:4:184736:224817,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1CC(OCC(F)(F)F)C1,WTTKMCQEVGYMFJ-UHFFFAOYSA-N
rxn:4:184793:223660,COc1ccc(COc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2C#N)cc1,FCYOVLOWEZHBNS-UHFFFAOYSA-N
rxn:4:184894:226335,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C4COC4)c(C#N)c3)c2)SC1=S,PQHFGCUXAMDAJV-UHFFFAOYSA-N
rxn:4:185108:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)c2ccccc12,FDSLCPNGGBVDMI-UHFFFAOYSA-N
rxn:4:185108:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,JUGYWUJUXLRVOW-UHFFFAOYSA-N
rxn:4:185111:224080,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCCN3CCCCC3)cc2)CC1,UTEPJNNSFLAUDO-UHFFFAOYSA-N
rxn:4:185124:223593,CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1,GCUDRZMIXXCUNG-UHFFFAOYSA-N
rxn:4:185139:225223,COC(=O)C1CCN(CCc2ccc(F)c(-c3cnc(N4CCC(C)CC4)cc3F)c2)CC1,FUYAGLGYVOSSBX-UHFFFAOYSA-N
rxn:4:185145:225926,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2)C1,NETCSGHUBUSWMB-UHFFFAOYSA-N
rxn:4:185165:223581,COC(=O)c1cccc2cc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,MQTFGTURQWIZBC-UHFFFAOYSA-N
rxn:4:185191:223952,CC1CCCCN1CCCOc1c(F)cccc1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1,NFVNSUXFURDBTH-UHFFFAOYSA-N
rxn:4:185193:225223,CC1CCN(CCCOc2c(F)cccc2-c2cnc(N3CCC(C)CC3)cc2F)CC1,YWNKXENOLOIMRU-UHFFFAOYSA-N
rxn:4:185201:223480,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GMGRFIVXXJLOEH-UHFFFAOYSA-N
rxn:4:185203:225312,COc1ccc(-c2cnc(N3CCCN(C)CC3)nc2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,VWEFQCKKIQSKLX-UHFFFAOYSA-N
rxn:4:185204:223503,COc1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C1CN(C(=O)OC(C)(C)C)C1,RTSNUZROHUOCDN-UHFFFAOYSA-N
rxn:4:185207:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cc2)CC1,GLLQYDSNGMWKRG-UHFFFAOYSA-N
rxn:4:185207:226655,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(Cl)cnc3N3CCCC3)cc2Cl)C1,OHOXYDIJQQTFQF-UHFFFAOYSA-N
rxn:4:185208:223490,Cc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BCJWKWBGXOCGMU-UHFFFAOYSA-N
rxn:4:185208:223775,COc1ccc2c(c1)c(-c1ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c1)cn2C(=O)OC(C)(C)C,CAGGYKHACOBNNJ-UHFFFAOYSA-N
rxn:4:185314:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(OC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,COPCUCCPGIBJRQ-UHFFFAOYSA-N
rxn:4:185318:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)C1,RPFBRUXDVQMDJS-UHFFFAOYSA-N
rxn:4:185318:224272,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,YOYFVUDIIJZFCO-UHFFFAOYSA-N
rxn:4:185324:225561,CC(C)(C)OC(=O)c1ccccc1-c1cc(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,NAGNPDPVLQPMCA-UHFFFAOYSA-N
rxn:4:185349:224656,COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1-c1ccc(OC)c(OC2CCCC2)c1F,LZOJYDXNJWDNLS-UHFFFAOYSA-N
rxn:4:185352:223529,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1,RYLLPURUSITHEB-UHFFFAOYSA-N
rxn:4:185352:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,NPQUUCZABRFNCW-UHFFFAOYSA-N
rxn:4:185377:226511,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2)CC1,ZIWGMOWJYMZYIA-UHFFFAOYSA-N
rxn:4:185377:227062,CCOc1ccc(-c2ccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1C,BOKXOYXLRQPWQP-UHFFFAOYSA-N
rxn:4:185378:223683,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,XQTLGJUCCYJLFO-UHFFFAOYSA-N
rxn:4:185381:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c3)c2F)C1,JGJGJMKOSOIEPU-UHFFFAOYSA-N
rxn:4:185383:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,GMEBFKYKBBPGSY-UHFFFAOYSA-N
rxn:4:185384:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)s2)CC1,TZSDMITZROHZDR-UHFFFAOYSA-N
rxn:4:185386:224271,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c2)C1,SRUVEAVUOORFTD-UHFFFAOYSA-N
rxn:4:185388:226714,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2C(F)(F)F)C1,YOPNOOZRPJSPAN-UHFFFAOYSA-N
rxn:4:185401:224760,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,PCTFGVLJOVVIRQ-UHFFFAOYSA-N
rxn:4:185408:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,NUYSLWRCSNODHT-UHFFFAOYSA-N
rxn:4:185412:225195,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)c(-c3ccc(F)c(OC4CCCCO4)c3)c2)C1,YLWAABDHJJVBFK-UHFFFAOYSA-N
rxn:4:185414:223931,Cc1cc(Cl)cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,UNYUBYCEFVTIDX-UHFFFAOYSA-N
rxn:4:185421:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2C2CC2)c1,IHYWHRCQEJTPKZ-UHFFFAOYSA-N
rxn:4:185421:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3C3CC3)c2)CC1,MSOARDACUYTYPT-UHFFFAOYSA-N
rxn:4:185422:223888,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2C2CC2)C1,MNOGQRUZXOAEFK-UHFFFAOYSA-N
rxn:4:185430:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)cc(C(F)(F)F)c1,FGGLFIYKFSQMID-UHFFFAOYSA-N
rxn:4:185430:224162,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c1,CSKIIBRSSMCVPC-UHFFFAOYSA-N
rxn:4:185430:224271,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,PZEWVQJGZOWHKD-UHFFFAOYSA-N
rxn:4:185438:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C2CCCNC2)n1,MVQQNQCCBHMASH-UHFFFAOYSA-N
rxn:4:185438:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C2CCNCC2)n1,HOPWVHLIXJVXIU-UHFFFAOYSA-N
rxn:4:185438:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,QPGBBOFOFFYICS-UHFFFAOYSA-N
rxn:4:185439:223649,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CC2)c1,IXAGIMBXSVWPQH-UHFFFAOYSA-N
rxn:4:185439:228645,Cc1cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(C)cc1Cl,FRTDNVVSDANLAC-UHFFFAOYSA-N
rxn:4:185442:223931,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc(C2COC2)c1,NVAQUEHLQJPDQH-UHFFFAOYSA-N
rxn:4:185452:223602,CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,DYRQTOMDGGOARU-UHFFFAOYSA-N
rxn:4:185625:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(-c4coc5cc(OCCN6CC(C)OC(C)C6)ccc5c4=O)cc3)c2)CC1,NSAOXURVDCEHTI-UHFFFAOYSA-N
rxn:4:185625:225271,COC(=O)c1cc(OC)c(OC)cc1-c1ccc(-c2coc3cc(OCCN4CC(C)OC(C)C4)ccc3c2=O)cc1,HTBXPFXDGQIKAD-UHFFFAOYSA-N
rxn:4:185672:223695,CCOC(=O)c1oc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C(F)F,QLPYXGBUNMCGPQ-UHFFFAOYSA-N
rxn:4:185725:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(OCC(F)F)cc2[N+](=O)[O-])cc1,FVNRQZUIWVPMOY-UHFFFAOYSA-N
rxn:4:186662:225188,COc1ccc(-c2ccc(Cl)c(CN3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,RIHNOPFLFSWKAT-UHFFFAOYSA-N
rxn:4:186749:225155,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2)SC1=S,LPXFUHILNGGXIX-UHFFFAOYSA-N
rxn:4:186755:223698,COc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc(OC)c1CN(C)C,LMTXANJSESPEEV-UHFFFAOYSA-N
rxn:4:186922:225101,CCN(CC)C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)ccc1Cl,NZTLVFMEAAGYAM-UHFFFAOYSA-N
rxn:4:186966:222605,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)ccc1CN1CCCC1,VYDJTCLUKMFCRW-UHFFFAOYSA-N
rxn:4:186990:222773,O=C(NC1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)cc1,OKTOVHSHQSZFRX-UHFFFAOYSA-N
rxn:4:187056:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])c(OCC3CCCCC3)c2)cc1,ARGLTJDHSFHFRC-UHFFFAOYSA-N
rxn:4:187108:223810,Cc1ccc(OCCN2CCOCC2)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1,ZJTYEZVLIVFBQT-UHFFFAOYSA-N
rxn:4:187208:224877,CC(C)(C)OC(=O)N1CC(c2cc(Cl)cc(-c3ccc(COC4CCCCC4)cc3)c2)C1,TZLDLEPYBGRCHY-UHFFFAOYSA-N
rxn:4:187212:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2F)cc1,SQLDCCBUDDNSFA-UHFFFAOYSA-N
rxn:4:187300:223901,CC1CCN(CCOc2ccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)cc2Cl)CC1,DXADZFQLERPNCF-UHFFFAOYSA-N
rxn:4:187300:224290,CC1CCN(CCOc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2Cl)CC1,MXMSOURWPQDQOG-UHFFFAOYSA-N
rxn:4:187359:223503,COC(OC)C1CCN(c2ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2)CC1,QTJLIMLKLZFXJY-UHFFFAOYSA-N
rxn:4:187361:223811,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1CN(C)C1CCOCC1,XDLGFVHWLQSPJQ-UHFFFAOYSA-N
rxn:4:187374:224619,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(OCCN4CCCC4)c(F)c3)c2)CC1,AIDMSGAMGMITFX-UHFFFAOYSA-N
rxn:4:187374:225905,CON(C)C(=O)c1ccc(-c2cccc(S(=O)(=O)CC(=O)N3CCC(C)CC3)c2)c(Cl)c1,KVDHNVBIGWBZIP-UHFFFAOYSA-N
rxn:4:187419:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(C)c3)cc21,GSZOFEQVANOCAL-UHFFFAOYSA-N
rxn:4:187441:223761,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)o2)C1,ITYVLXGCYHDSBS-UHFFFAOYSA-N
rxn:4:187444:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)c(F)c3)c2)CC1,BUCCJGYSFAFRIN-UHFFFAOYSA-N
rxn:4:187448:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)c4ccc(CN5CCCC5)cc4)c3)cc2)CC1,VWNGFSVYWYDLNO-UHFFFAOYSA-N
rxn:4:187483:225089,CCCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3CC)cc2OC)c(F)c1F,CGJVOBCZYZMYGQ-UHFFFAOYSA-N
rxn:4:187484:223954,CCOc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1S(=O)(=O)N1CCCCC1C,UKUGROGPICZJGU-UHFFFAOYSA-N
rxn:4:187488:224321,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,HOZBDFQKPLRNPT-UHFFFAOYSA-N
rxn:4:187488:224393,CCOc1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,OYLXOFMDMANBHP-UHFFFAOYSA-N
rxn:4:187492:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2C1,WHIZKXPFFJEFOQ-UHFFFAOYSA-N
rxn:4:187492:225181,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3cccc(CN4CCOCC4)c3F)c2)C1,HUQPUINLLAMTJZ-UHFFFAOYSA-N
rxn:4:187492:225798,CC(C)(C)OC(=O)N1CCOC(c2cccc(-c3ccc(OC4CCOCC4)nc3)c2)C1,JOTZMOFMSQBUMD-UHFFFAOYSA-N
rxn:4:187500:222628,COc1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc(OC)c1C(=O)N1CCCCC1C,JEHMNIVUTVLSCI-UHFFFAOYSA-N
rxn:4:187503:224634,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1CN1CCOCC1,UTFJNHGBMDRKDK-UHFFFAOYSA-N
rxn:4:187541:222776,CC(C)Oc1cc(OC2CCN(C)CC2)ccc1-c1ccc(CN2CCC(O)CC2)cc1F,OYGSXPBPGWDXEL-UHFFFAOYSA-N
rxn:4:187542:224885,COc1cc(-c2ccccc2CN2CCC(C)CC2)cc(OC)c1CN1CCC(C)CC1,KHEBLPUCTQYOMR-UHFFFAOYSA-N
rxn:4:187570:223894,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cccc(OCCCN2CCN(C)CC2)c1,BIZJJBFQYCMHNF-UHFFFAOYSA-N
rxn:4:187594:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,ZXQNJHJKNTXFIW-UHFFFAOYSA-N
rxn:4:187595:223592,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)c2)CC1,GLHKLNKHXBOFCK-UHFFFAOYSA-N
rxn:4:187601:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)c4cccc(CN5CCCCC5)c4)c3)cc2)CC1,LZJIQZHBMBKGBJ-UHFFFAOYSA-N
rxn:4:187625:224252,CC1CCN(Cc2c(OC(C)C)cccc2-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)CC1,WMQOHAHFJWLLQZ-UHFFFAOYSA-N
rxn:4:187626:222776,CCOc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,LLUKCIFGOOOWDZ-UHFFFAOYSA-N
rxn:4:187664:224268,Cc1cc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,WBJZQCRTYQEIDP-UHFFFAOYSA-N
rxn:4:187673:225294,CCN1CCN(c2ncc(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cn2)CC1,FTOHRSZAXJYHFC-UHFFFAOYSA-N
rxn:4:187695:227556,COc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(OC)c1F,XVNYIIJQSJEAAX-UHFFFAOYSA-N
rxn:4:187696:224771,Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C,YUMWPTKZGNWFRP-UHFFFAOYSA-N
rxn:4:187793:223712,CCN(CC)C(=O)c1cc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2oc1=O,FNKSXDYPPPXAFP-UHFFFAOYSA-N
rxn:4:187863:224956,COC1c2ccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)cc2CN1C(=O)OC(C)(C)C,GKHUDVXJUUSMGN-UHFFFAOYSA-N
rxn:4:187879:225828,CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3cnc(N4CCCCCC4)nc3)ccc21,OLFVFFBAWUWBRI-UHFFFAOYSA-N
rxn:4:187916:224672,CCN1CCN(c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)c(Cl)c2)CC1,OCUGDSSYGXRCEP-UHFFFAOYSA-N
rxn:4:187916:226298,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(F)cc1OCC1CC1,CUQVJMRRUOTCLT-UHFFFAOYSA-N
rxn:4:187944:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,FNIFCTLPAFDPDC-UHFFFAOYSA-N
rxn:4:187944:224634,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1CN1CCOCC1,OLSKSGXXOMZBRJ-UHFFFAOYSA-N
rxn:4:187944:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,VCGWRUZKIUHJLI-UHFFFAOYSA-N
rxn:4:187944:225810,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(C2OCCO2)c1,HCPABEPWLWRJFT-UHFFFAOYSA-N
rxn:4:187944:226484,COCCOc1cc(Cl)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,SKOKRJUMFRRUDM-UHFFFAOYSA-N
rxn:4:187951:223577,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,KWOFFPMIPGSUDR-UHFFFAOYSA-N
rxn:4:187995:223499,CCc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,RTRVFNYKUHEFDK-UHFFFAOYSA-N
rxn:4:187995:223533,CCc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ZOOOSXLVHLZYPH-UHFFFAOYSA-N
rxn:4:187999:229256,COc1cc(-c2c(C)noc2C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,IVTCLWNUITVGCV-UHFFFAOYSA-N
rxn:4:188333:223591,CCOC(=O)c1nc(C)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)s1,BVIRQPBTPDWFSW-UHFFFAOYSA-N
rxn:4:188454:223695,COC(=O)c1cc(F)c([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AWPSRSNYCYSRSJ-UHFFFAOYSA-N
rxn:4:189795:223972,COc1cc(C)c(-c2ccc(N3CCCCC3C)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C,LVTXIBTYQWCUMI-UHFFFAOYSA-N
rxn:4:189849:224375,CC(C(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1)N1C(=O)CCC1=O,CEWCRDRUKJZGAL-UHFFFAOYSA-N
rxn:4:189921:223832,COC(=O)c1c(C2CCOCC2)ccnc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,IDXRMARIEDYABC-UHFFFAOYSA-N
rxn:4:190104:224720,COC(=O)c1c(C2CCCCC2)ccnc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,XRCUNLMGJFAKNF-UHFFFAOYSA-N
rxn:4:190139:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)ccc2Cl)CC1,JTICQZLXODXGFH-UHFFFAOYSA-N
rxn:4:190221:223596,COc1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CN1CCC(F)(F)CC1,FKSWXKUDIHTCLY-UHFFFAOYSA-N
rxn:4:190238:224171,COC1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCN4CCCC4)c(F)c3)c(F)cc2F)CC1,DOCOGVFPDCGJOJ-UHFFFAOYSA-N
rxn:4:190378:224291,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCOCC2)c(F)c1,VILLBHXGCFKDRW-UHFFFAOYSA-N
rxn:4:190379:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1OC,ITMIAZXAKKDRDZ-UHFFFAOYSA-N
rxn:4:190386:223943,CCC(=O)C1CCCN(c2ccc(-c3c(Cl)c(C)cc4c3cnn4C3CCCCO3)cc2C)C1=O,HDTHSHDSQQHCOB-UHFFFAOYSA-N
rxn:4:190408:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])cc2[N+](=O)[O-])CC1,MIFBWQHXLOTIPP-UHFFFAOYSA-N
rxn:4:190411:223572,Cc1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12,YAKKFBPSCRTYMN-UHFFFAOYSA-N
rxn:4:190496:224198,CCN1CCN(Cc2ccc(-c3cc(CN4CCC(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,GXNMBEVPTZCBHA-UHFFFAOYSA-N
rxn:4:190798:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)cc34)cc2F)CC1,KKMQJOOLEWUZKD-UHFFFAOYSA-N
rxn:4:190833:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cc(F)c2F)CC1,HCYJBDWSVMVUBU-UHFFFAOYSA-N
rxn:4:190932:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4c(c3)C(=O)CN(C(=O)OC(C)(C)C)C4)c2)CC1,JOSDYHMRCYVRLP-UHFFFAOYSA-N
rxn:4:190948:224714,CCCCOc1ccc(-c2ccc3c(c2)N(c2ccc(F)c(F)c2)C=C(C(=O)OC)S3(=O)=O)cc1C(F)(F)F,AXMXVSACJPVNJX-UHFFFAOYSA-N
rxn:4:190952:224290,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2C1,BUPLLKHVWBYWEC-UHFFFAOYSA-N
rxn:4:190991:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)SCCN(C(=O)OC(C)(C)C)C4)cn2)CC1,CLCMGAXUXPGWIM-UHFFFAOYSA-N
rxn:4:191043:224731,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cccc(S(=O)(=O)OCC(C)(C)C)c4)ccc3C2=O)CC1,KWGNEHAFWGQQQK-LBZQVFOQSA-N
rxn:4:191043:224754,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccccc4S(=O)(=O)N4CCCCC4)ccc3C2=O)CC1,BSYFLOAEAOLZGN-XYWHTSSQSA-N
rxn:4:191043:226649,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cccnc4N4CCOCC4)ccc3C2=O)CC1,OIQXUJODFKZDSK-IRJFHVNHSA-N
rxn:4:191063:227100,Cc1cc(C2CC2)cc(F)c1-c1ccc2c(c1)OC1(CC2=O)CN(C(=O)OC(C)(C)C)C1,LFZVVMGTWLNADY-UHFFFAOYSA-N
rxn:4:191063:227503,CC(C)Oc1cc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)c(F)cn1,HBOLTOAYDOMHAQ-UHFFFAOYSA-N
rxn:4:191103:224811,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc32)CC1,ZRWSCMUENBMOGF-UHFFFAOYSA-N
rxn:4:191103:225763,COC(=O)c1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1OC,FQVCRZBUPHWCMM-UHFFFAOYSA-N
rxn:4:191104:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CO3)c1,OVIOJTOZCSPCOP-UHFFFAOYSA-N
rxn:4:191106:225176,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(CN4CCOCC4)c(Cl)c3)ccc21,IUZDTMLOFYJNHY-UHFFFAOYSA-N
rxn:4:191115:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)COC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cnc1Cl,OOMSFKBMIJTZFT-UHFFFAOYSA-N
rxn:4:191115:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4c(c3)COC3(CCN(C(=O)OC(C)(C)C)CC3)O4)c2)CC1,KVYDJWFZFNDFID-UHFFFAOYSA-N
rxn:4:191118:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c1,CREQFXKPLSPREC-UHFFFAOYSA-N
rxn:4:191119:222608,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc1C2=O,LQNCNVOZSUDTAT-UHFFFAOYSA-N
rxn:4:191124:224162,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cc32)CC1,RKNFVDVWJRAHRL-UHFFFAOYSA-N
rxn:4:191129:223975,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)ccc3O2)CC1,XDEYCYCIRLNMMZ-UHFFFAOYSA-N
rxn:4:191129:225232,CC1CCN(c2cc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cnc2Cl)CC1,XPBXHAUBLYGMTH-UHFFFAOYSA-N
rxn:4:191129:226096,CC(C)CCOc1cccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1,UOOXOHDHCMGMFJ-UHFFFAOYSA-N
rxn:4:192445:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Oc2ccc(F)cc2F)nc1,NIFRFNXYXWVNQL-UHFFFAOYSA-N
rxn:4:193122:223521,CC(c1cccc(-c2cc(C(=O)N3CCCC3)cc(F)c2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JUVBBGGTWKSTIP-UHFFFAOYSA-N
rxn:4:193293:224819,O=S1(=O)CCCN1c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(F)(F)F)c1,MVXPKRLCFXBTQQ-UHFFFAOYSA-N
rxn:4:193391:223699,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCOCC1,VXNSWJHLPAKGTN-UHFFFAOYSA-N
rxn:4:193457:223748,COc1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1C1CCCCO1,WTKSTQUXUYBOER-UHFFFAOYSA-N
rxn:4:193499:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCC(=O)CC2)c1,XDTYCARWGOQKAW-UHFFFAOYSA-N
rxn:4:193500:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)CC1,VGEPNRXLGSBAMN-UHFFFAOYSA-N
rxn:4:193627:224755,O=C(c1ccc(F)c(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)c1)N1CCOCC1,LOINBWBPTOZCIK-UHFFFAOYSA-N
rxn:4:193663:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(OC)CC4)cc3)c(F)c2)CC1,LJCWUJRQIIWFRD-YHBQERECSA-N
rxn:4:193683:223970,Cc1ccc(-c2cc(CN3CCOC[C@@H]3C)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,XAOJPUUCJSDIIN-FQEVSTJZSA-N
rxn:4:193773:224008,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CO4)cc2)cc([N+](=O)[O-])c1)N1CCOCC1,UFHGRQUXKSAFJK-UHFFFAOYSA-N
rxn:4:193828:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1,JOZYAWKTIMIPCF-UHFFFAOYSA-N
rxn:4:193877:223658,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)c2)CC1,RRSAOSUVZBYETE-UHFFFAOYSA-N
rxn:4:193965:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(S(=O)(=O)N4CCCC(C)C4)c3)c2)CC1,CJOUZMUOGBRIRG-UHFFFAOYSA-N
rxn:4:194671:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CN2CCCCC2)cc2c1OCC2,YXORGEOSIUIPMM-UHFFFAOYSA-N
rxn:4:194729:223993,Cc1cc(-c2ccc3c(c2)CN(CC2CCOCC2)CC3)ccc1S(=O)(=O)N1CCN(C)CC1,JLUPFBXWRKAMPO-UHFFFAOYSA-N
rxn:4:197978:224187,Fc1cc(OCCN2CCCCC2)ccc1-c1ccc2c(c1)CCCC2N1CCCC(F)(F)C1,OLHQPHJXGAIVSI-UHFFFAOYSA-N
rxn:4:197991:224176,CC1CCN(C2CCCc3cc(-c4ccc(OCCSC5CCOCC5)cc4)ccc32)CC1,QRUQVPSFYQOAGA-UHFFFAOYSA-N
rxn:4:198013:225284,CC(=O)C1=C2CCCN2c2cc(-c3cnc(C(F)(F)F)c(CC(C)C)c3)ccc2S1(=O)=O,FRGWGHXDSWMSPU-UHFFFAOYSA-N
rxn:4:199557:224273,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)ccc2C#N)C1,CJFOIZCHHFXIPI-UHFFFAOYSA-N
rxn:4:199593:226276,COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(OC)CC2)cc1CN(C)C,BIMKSTISOSFFAE-UHFFFAOYSA-N
rxn:4:199639:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(OCCCCN2CCN(C)CC2)cc1,BBQUGSZRZCNKRA-UHFFFAOYSA-N
rxn:4:199645:225557,COC(=O)C1(c2ccc(-c3cccc(OCC4CCCN4C(=O)OC(C)(C)C)n3)cc2)CC1,OSKNDHNDOFDIDP-UHFFFAOYSA-N
rxn:4:199649:222812,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1,ZRGRCMMPPFZESL-UHFFFAOYSA-N
rxn:4:199652:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])c2)CC1,DZOAZJFTHUXKOF-UHFFFAOYSA-N
rxn:4:199652:224277,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)C1,JVBHJGKJEVQTED-UHFFFAOYSA-N
rxn:4:199709:222974,CC(C)(C)NC(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,VHMFBYHQPPRDGB-UHFFFAOYSA-N
rxn:4:199712:222621,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,ADRJXCDRGQMNHS-UHFFFAOYSA-N
rxn:4:199712:224819,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,AYXJLFPABINTNC-UHFFFAOYSA-N
rxn:4:199714:223498,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,OHMKGSDGCPDYRO-UHFFFAOYSA-N
rxn:4:199737:223996,CCN1CCN(Cc2cccc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)c2OCC2CC2)CC1,MOEJWPAFQCZJND-UHFFFAOYSA-N
rxn:4:199737:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cccc(CN2CCN(CC)CC2)c1OCC1CC1,XQLDAADLYDKYCR-UHFFFAOYSA-N
rxn:4:199741:223937,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,XEHYAUCHXBUIRK-UHFFFAOYSA-N
rxn:4:199743:223761,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,BJNFVPIXUVUQLT-UHFFFAOYSA-N
rxn:4:199743:226511,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cc(Cl)cnc2OCC2CC2)CC1,LVUZAKKHGAIXOB-UHFFFAOYSA-N
rxn:4:199757:224279,CN(Cc1ccc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)cc1N1CCCC1)C(=O)OC(C)(C)C,HOLJMOXVMSWBSF-UHFFFAOYSA-N
rxn:4:199764:226532,CCOC(=O)c1cc(F)cc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZIVBOMDRRUJQRD-UHFFFAOYSA-N
rxn:4:199766:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SETWBBCLNCPXRX-UHFFFAOYSA-N
rxn:4:199766:223777,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CC1,CXKNVISYDYOUFD-UHFFFAOYSA-N
rxn:4:199778:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,DQHZIRCREHJXOP-UHFFFAOYSA-N
rxn:4:199778:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,CZMYGLXJHYGQAQ-UHFFFAOYSA-N
rxn:4:199786:224161,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,HJYMBSRZUJOTAU-UHFFFAOYSA-N
rxn:4:199789:224392,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)ccn1,UYSGBJQZHZJOAL-UHFFFAOYSA-N
rxn:4:199791:223505,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WKSGNHXYNZQVGX-UHFFFAOYSA-N
rxn:4:199791:224486,COc1ccc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RJVONQUIZBJFIA-UHFFFAOYSA-N
rxn:4:199809:225232,CC1CCN(c2cc(-c3cccc(N(C)C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,ZLWVPVQBIGPAFF-UHFFFAOYSA-N
rxn:4:199809:226539,CCOC(=O)c1ccc(Cl)cc1-c1cccc(N(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,JTMNEMULJTZFSL-UHFFFAOYSA-N
rxn:4:199810:223502,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,RPDASVSOGKZVAE-UHFFFAOYSA-N
rxn:4:199810:223594,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HLIYMPGZZJOBRD-UHFFFAOYSA-N
rxn:4:199810:224274,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cc2cnccc2n1C(=O)OC(C)(C)C,AJXIRQYFEJMJSP-UHFFFAOYSA-N
rxn:4:199817:224397,CCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,DMWJEBXJSWDIKS-UHFFFAOYSA-N
rxn:4:199817:225683,CCCOc1ccc(-c2ccc(C3CCCOC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,ZZGTUTLNQSGWKS-UHFFFAOYSA-N
rxn:4:199818:225450,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,MUFOYCPCYBFCPD-UHFFFAOYSA-N
rxn:4:199828:225232,CC1CCN(c2cc(-c3cccc(Cl)c3CN(C)C3CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)CC1,GQERNANNFCOHPQ-UHFFFAOYSA-N
rxn:4:199829:223637,CC1CN(CCc2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)ccc2Cl)CCN1C(=O)OC(C)(C)C,LWXQYXWBOIZYBF-UHFFFAOYSA-N
rxn:4:199830:223507,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,FKBSRGZGVVOCQO-UHFFFAOYSA-N
rxn:4:199835:224368,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)c1,RHWDXWWYQYDMQI-UHFFFAOYSA-N
rxn:4:199846:223055,CCOc1ccc(-c2ccc(N3CCNCC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,GGGZHXRRDVUQAT-UHFFFAOYSA-N
rxn:4:199847:225296,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c(OC)c2)CC1,RGMRPPDMEHVXIP-UHFFFAOYSA-N
rxn:4:199860:225743,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(CC(=O)OC)ccc1OC,DSLDSVKJPMKHPU-UHFFFAOYSA-N
rxn:4:199860:226437,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CCCC2)ncc1F,STFHRIGPENTIEW-UHFFFAOYSA-N
rxn:4:199863:223135,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cccnc1C1CCCNC1,SXAUCNJJOQPALR-UHFFFAOYSA-N
rxn:4:199863:223839,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC,LXHSKKZNMJLBHO-UHFFFAOYSA-N
rxn:4:199863:227763,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(OC)c(Cl)c(F)c1F,QMCYAQWMFYEWGC-UHFFFAOYSA-N
rxn:4:199874:225294,CCN1CCN(c2ncc(-c3ccc(C4CCCN4C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,QHSCQXDINXCJGH-UHFFFAOYSA-N
rxn:4:200088:223649,CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ASQMBWBBGXHZRZ-UHFFFAOYSA-N
rxn:4:200232:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3nc(Cl)cn3COCC[Si](C)(C)C)cc2)CC1,CEWHIAKPWZDAOC-UHFFFAOYSA-N
rxn:4:200340:224100,CC1CCN(CCOc2ccccc2-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)CC1,RJBZMGIIVRKFFF-UHFFFAOYSA-N
rxn:4:200370:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,SBRHCPXNZWHDFU-UHFFFAOYSA-N
rxn:4:200386:223075,O=C(Cc1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N1CC(CN2C(=O)COC2=O)C1,ZUYIUOPFFKFCPA-UHFFFAOYSA-N
rxn:4:200481:223061,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2cc(C3CCNCC3)ncc2F)C1,QCNFFQPXZFFFFY-KRWDZBQOSA-N
rxn:4:200559:222477,Cc1ccc(CNC(=O)c2cccc(-c3coc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2F)cc1,OVEXTPGOOHBXFO-UHFFFAOYSA-N
rxn:4:200561:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(C(=O)OC)c3)cc2)CC1,TXZCLDREMRLIHY-SOAUALDESA-N
rxn:4:200562:222848,CCc1cc(-c2ccc(C(=O)OC)cc2CN2CCN(CC)CC2)cc(C2CCCNC2)n1,FXXZPGRUBMIXTF-UHFFFAOYSA-N
rxn:4:200595:223040,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)NC4CC4)c(F)c3)nc2)CC1,WQFHUHFLADTQEK-UHFFFAOYSA-N
rxn:4:200595:223581,COC(=O)c1cccc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,OQVSVVTZPYJYAL-UHFFFAOYSA-N
rxn:4:200596:224997,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3)n2)CC1,RBMUWTJWJBYXOQ-UHFFFAOYSA-N
rxn:4:200600:222616,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,UFGDLSYFODREIT-UHFFFAOYSA-N
rxn:4:200602:223637,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,XLSHWHBOONRNEY-UHFFFAOYSA-N
rxn:4:200602:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc1,HPSINZNFAUHUNP-UHFFFAOYSA-N
rxn:4:200602:225665,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cn2)CC1,XNMLTCHNXDXOSF-UHFFFAOYSA-N
rxn:4:200604:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1Cl,FGHBCYGDUDZJOO-GOSISDBHSA-N
rxn:4:200604:223064,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccc(C4CCNCC4)nc3F)c2)C1,XOJMZSNAODJEME-LJQANCHMSA-N
rxn:4:200607:223931,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,LXLVQQQANIFNNZ-UHFFFAOYSA-N
rxn:4:200610:223527,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,OHHYDIKRINKYDO-UHFFFAOYSA-N
rxn:4:200648:223777,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,OEVUZIRCLCJEDP-UHFFFAOYSA-N
rxn:4:200651:223591,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2)CC1,HSUSHLQKMSISJO-UHFFFAOYSA-N
rxn:4:200655:223937,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc2C#N)CC1,XVBCANUUQPGKJA-UHFFFAOYSA-N
rxn:4:200655:225899,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)n(C(=O)OC(C)(C)C)n1,ZAXFQXMIAGKPGP-UHFFFAOYSA-N
rxn:4:200658:223670,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,MFFANSPNUCXWMH-UHFFFAOYSA-N
rxn:4:200662:228489,O=C(CCc1ccccc1-c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2C(=O)CSC2=O)CC1,DITGQFPAZZDDHP-UHFFFAOYSA-N
rxn:4:200671:227236,CCOC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,IBXJFOWBBKKICY-UHFFFAOYSA-N
rxn:4:200698:224868,COC(=O)c1cc(-c2cccc(OCC3CCCCC3)c2)ccc1CN1CCN(C(C)C)CC1,RANZRNIMHXOHAS-UHFFFAOYSA-N
rxn:4:200698:226256,CCCCOc1cc(F)ccc1-c1ccc(CN2CCN(C(C)C)CC2)c(C(=O)OC)c1,IJQVXBBBNDKZTO-UHFFFAOYSA-N
rxn:4:200700:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XTXXJXOCLNATMI-UHFFFAOYSA-N
rxn:4:200700:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(Cl)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,SRAHDXDAKIYPQY-UHFFFAOYSA-N
rxn:4:200703:223650,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)CC1,IRLQLGKGIFKPEL-UHFFFAOYSA-N
rxn:4:200707:225665,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2F)CC1,YCWKRSIYQSOLHI-UHFFFAOYSA-N
rxn:4:200708:224604,Cc1nc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c(F)cc2n1C(C)(C)C,ZAMFFASRVRQQJR-UHFFFAOYSA-N
rxn:4:200710:222810,CC(C)(C)OC(=O)Nc1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)cn1,UXVJFUCQEYZWSQ-UHFFFAOYSA-N
rxn:4:200712:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,ZEDDKGHWBCGFJZ-UHFFFAOYSA-N
rxn:4:200729:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C(F)(F)F)ccc2F)CC1,VKGDNDIGZPTBJZ-UHFFFAOYSA-N
rxn:4:200732:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C(F)(F)F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,UNQDEXXJORXPIU-UHFFFAOYSA-N
rxn:4:200736:223581,COC(=O)c1cccc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)n(C(=O)OC(C)(C)C)c12,DSCZKUXBMLKLQQ-UHFFFAOYSA-N
rxn:4:200740:223883,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c(F)cc2F)CC1,VORSTPDQONSALO-UHFFFAOYSA-N
rxn:4:200744:224391,COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)C1,IWKBAKKBEMMMSN-UHFFFAOYSA-N
rxn:4:200760:223937,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc2cccc(Cl)c2n1C(=O)OC(C)(C)C,OEQCSXRSUSPNRZ-UHFFFAOYSA-N
rxn:4:200766:222719,Cc1cc(OCC2CCN(C(=O)c3cccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c3)CC2)ccn1,DQLNEUGAEUEYQR-UHFFFAOYSA-N
rxn:4:200783:228280,COc1cc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(C)cc1Cl,ISSFKVHREWEZJN-UHFFFAOYSA-N
rxn:4:200791:223935,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,OMFCMFBPDVAQTQ-SFHVURJKSA-N
rxn:4:200797:222855,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(OC)cc(C2CCCNC2)c1,DWQDSEZMNQPWLI-UHFFFAOYSA-N
rxn:4:200803:225312,CCOc1ccc(-c2cnc(N3CCCN(C)CC3)nc2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,PPYHLCKRIJNGTM-UHFFFAOYSA-N
rxn:4:200817:225798,CC(c1ccccc1-c1ccc(OC2CCOCC2)nc1)N1CCN(C(=O)OC(C)(C)C)CC1,OWIFXWDGMAYUEF-UHFFFAOYSA-N
rxn:4:200821:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2F)CC1,KEYPUQVFEUPBBW-UHFFFAOYSA-N
rxn:4:200821:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,WMKOLTYLCPSCCD-UHFFFAOYSA-N
rxn:4:200823:224997,Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NUKHTJZSXASGQJ-UHFFFAOYSA-N
rxn:4:200823:227889,COCCc1ccccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,LDEZWEAVSWVBQN-UHFFFAOYSA-N
rxn:4:200823:229048,Cc1cc(-c2cnn3c2CCC3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCWOZOLCNXDTKO-UHFFFAOYSA-N
rxn:4:200824:223579,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UVWWDWUQLAYKDI-UHFFFAOYSA-N
rxn:4:200828:223382,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cnc(NC3CC3)nc2)c(F)cc1F,BIZFEWJSIPAJRI-UHFFFAOYSA-N
rxn:4:200828:223716,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc3ccccc3c2OCc2ccccc2)c(F)cc1F,LXCHMPUEWAONFI-UHFFFAOYSA-N
rxn:4:200828:224268,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)c(F)cc1F,CEAGIVXUNDXQEW-UHFFFAOYSA-N
rxn:4:200828:225338,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(F)c(COCC(F)(F)F)c2)c(F)cc1F,QATDYOQOKVZHRG-UHFFFAOYSA-N
rxn:4:200830:225165,COc1cc(-c2ccc(N3CCOCC3)c(OC)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC,WNITVUVYQVSLKH-UHFFFAOYSA-N
rxn:4:200832:225978,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(N2CCOCC2)nc1F,DHXHFHJYPMWVMK-UHFFFAOYSA-N
rxn:4:200832:226235,CCCCOc1ccc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2OC)c(C)n1,YGBZRNKJDFTOTO-UHFFFAOYSA-N
rxn:4:200881:222702,O=C(CCc1ccccc1-c1cc(C2CCCNC2)ccc1C(F)(F)F)N1CCCN(C2CCSCC2)CC1,OFXFPHQKQHTARB-UHFFFAOYSA-N
rxn:4:200882:223683,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c1)C2,YSVJUBFIEKWJIP-UHFFFAOYSA-N
rxn:4:200882:225218,CC1CCCN(c2ncc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc2Cl)C1,XCUFHWSWIPFUDT-UHFFFAOYSA-N
rxn:4:200888:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4=NN(S(=O)(=O)c5ccc(C)cc5)C(c5ccc(OC)cc5)C4)cc3)cc2C)CC1,MCSKDFZMCAVXJV-UHFFFAOYSA-N
rxn:4:200890:222628,CCOc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,DQHGMUYNUPAYPS-UHFFFAOYSA-N
rxn:4:200891:226649,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccnc3N3CCOCC3)cc2C)CC1,HNNVJUOUGUOAKA-UHFFFAOYSA-N
rxn:4:200891:227765,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccn(CCC(F)(F)F)n3)cc2C)CC1,KDEKVEOHWRYYTM-UHFFFAOYSA-N
rxn:4:200897:224394,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,VFBIWVAVFXKCSN-UHFFFAOYSA-N
rxn:4:201089:223578,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)ccc3s2)CC1,DQRJFHDEGCFNAI-UHFFFAOYSA-N
rxn:4:201134:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)ccc2F)CC1,BYVRGQZYXOAYFN-UHFFFAOYSA-N
rxn:4:201134:224276,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c3ccccc23)CC1,MVQWGOIOQPTHFQ-UHFFFAOYSA-N
rxn:4:201134:227573,CCOc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc(F)c1F,MCJYIBPDVVYRDY-UHFFFAOYSA-N
rxn:4:201150:223670,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C2)CC1,LRXGTLQBCQSGPX-UHFFFAOYSA-N
rxn:4:201151:223773,COc1cccc2cc(-c3ccc4c(c3)CCN(CC3CCCN(C(=O)OC(C)(C)C)C3)C4)n(C(=O)OC(C)(C)C)c12,STGJJSBDFITNTL-UHFFFAOYSA-N
rxn:4:201151:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)c(C(F)(F)F)c1,NBNLGVXJYROBBY-UHFFFAOYSA-N
rxn:4:201385:223539,COC(=O)CCn1nc(C)c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C,NDHXBKYQZMEQPW-UHFFFAOYSA-N
rxn:4:201645:223888,CC(C)(C)OC(=O)N1CC(c2csc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)n2)C1,BTTDQKWLBVPKDM-UHFFFAOYSA-N
rxn:4:201704:227804,O=C(c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])o1)N1CC(CN2C(=O)CCC2=O)C1,GCCRLBMEEKKYCD-UHFFFAOYSA-N
rxn:4:201775:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3nc(C4CCN(C(=O)OC(C)(C)C)C4)cs3)cc2C1,IDFMEWXXVJSAGK-UHFFFAOYSA-N
rxn:4:201790:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,HWCSYOVPAMVURJ-UHFFFAOYSA-N
rxn:4:201817:224010,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,UDMCXFHKFXDCIX-UHFFFAOYSA-N
rxn:4:201842:223811,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,ALOYKKNWFFKFSK-UHFFFAOYSA-N
rxn:4:201894:223847,CCCCCC1CCC(c2ccc(-c3cccc(CCC(=O)N4CCN(C)CC4)c3)cc2)CC1,AZTPQXBVFMSBSJ-UHFFFAOYSA-N
rxn:4:201897:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)cc2)CC1,VKTBSSHWRAFAGD-UHFFFAOYSA-N
rxn:4:201915:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(S(=O)(=O)N3CCSC3c3cccc([N+](=O)[O-])c3)cc2)cnc1Cl,GUVVHPLDSQDBBB-UHFFFAOYSA-N
rxn:4:201937:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,ZNMHARUDDVQCKX-SOAUALDESA-N
rxn:4:201945:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,OJRQUDIIMZNWKS-HSZRJFAPSA-N
rxn:4:201947:223888,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cnc1N1CCCC1,LIOMMRHLCPMCEL-UHFFFAOYSA-N
rxn:4:201989:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)cc2)CC1,SUDZQCPWIDFGMO-ALOJWSFFSA-N
rxn:4:202001:222996,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2ccc(F)cc2C2CCCNC2)c1,QLGGKEREZMMLOX-UHFFFAOYSA-N
rxn:4:202011:223084,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1,GJXFVJWBFWPASH-UHFFFAOYSA-N
rxn:4:202022:224278,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cn1,KDNBQRMYSUPODT-UHFFFAOYSA-N
rxn:4:202073:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1=O,WFWTXQRHQMUDJZ-UHFFFAOYSA-N
rxn:4:202075:225829,CC1CCN(c2ncc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)cn2)CC1,CDKUQJLGHVUPPA-UHFFFAOYSA-N
rxn:4:202083:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1,IEHKBUDWTVDFFE-UHFFFAOYSA-N
rxn:4:202088:222546,O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,LKACBINGIPCAKM-UHFFFAOYSA-N
rxn:4:202095:223491,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,KMOFWWZPRCIUDT-UHFFFAOYSA-N
rxn:4:202095:223576,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,YIWRRPFLLRBEDN-UHFFFAOYSA-N
rxn:4:202097:222540,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)n2)CC1,KUHZDLRWEXDZBL-UHFFFAOYSA-N
rxn:4:202097:224750,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)n2)CC1,YPXNINHSGYVPLN-UHFFFAOYSA-N
rxn:4:202103:223574,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LWTAIWHWKSBXDX-UHFFFAOYSA-N
rxn:4:202107:224371,COC(=O)C1CCN(c2ncc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,QTTGGONTXLPMRR-UHFFFAOYSA-N
rxn:4:202111:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1,JZXFJCIWFLNECS-UHFFFAOYSA-N
rxn:4:202111:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)CC1,OYFVVGQHPVQBNZ-UHFFFAOYSA-N
rxn:4:202112:222629,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)CC1,ZZPIFMOYLJSOAT-UHFFFAOYSA-N
rxn:4:202116:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,XFWSEHCYUJMBQN-UHFFFAOYSA-N
rxn:4:202116:224653,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)C1,NOSUYVFNOUXDAQ-UHFFFAOYSA-N
rxn:4:202122:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)cc2)CC1,SGADSVWGNNXMAW-RQNOJGIXSA-N
rxn:4:202126:225561,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1C(=O)OC(C)(C)C,ONZNUHGLRGUMTG-UHFFFAOYSA-N
rxn:4:202130:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)cn2)CC1,ZRKWZTUXVLEPEV-UHFFFAOYSA-N
rxn:4:202133:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,BDSVDGLZWRNVAO-UHFFFAOYSA-N
rxn:4:202133:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,DLSXVPCZERRZHJ-UHFFFAOYSA-N
rxn:4:202161:222434,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1,PHYLHTOTXRDAGT-UHFFFAOYSA-N
rxn:4:202161:223558,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2,NWBZVTCOKQZQSU-UHFFFAOYSA-N
rxn:4:202161:224065,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,FHPIEGAYSNWIRA-UHFFFAOYSA-N
rxn:4:202170:222466,O=C(C1CN(Cc2ccccc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CCO1)N1CCCC1,LUCZGCCZGSHUSC-UHFFFAOYSA-N
rxn:4:202173:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,BKGAPLDNERNMSX-UHFFFAOYSA-N
rxn:4:202209:224404,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,VUUGQSZXGUPECN-UHFFFAOYSA-N
rxn:4:202212:224404,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)C2)cc1C,IPSXETFQFMWFPV-UHFFFAOYSA-N
rxn:4:202222:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)ccn1,PCBGSYIMEWUTDI-UHFFFAOYSA-N
rxn:4:202225:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,DKLAQJQESAMHDE-UHFFFAOYSA-N
rxn:4:202228:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,BWCKVMCIDFQSGV-SOAUALDESA-N
rxn:4:202233:222929,CC1CCCN(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c(C(=O)OC(C)(C)C)n2)C1,RGKTVYIFASETDP-UHFFFAOYSA-N
rxn:4:202237:223646,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cn1,YFYRSPNDSVQEIG-UHFFFAOYSA-N
rxn:4:202266:225297,O=C(C1CN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CCO1)N1CCCCC1,HVCCOIFHIXKXNK-UHFFFAOYSA-N
rxn:4:202285:224411,COC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)cc2N2CCCC2)CC1,MBWKOXOLZDWFLN-UHFFFAOYSA-N
rxn:4:202306:225300,CCN1CCN(Cc2cc(-c3ccc(OC4CCOCC4)nc3F)cc(C(C)(C)C)c2)CC1,LEKCUXPQURYOFF-UHFFFAOYSA-N
rxn:4:202310:224000,O=S(=O)(c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)cc1)N1CCCSCC1CN1CCOCC1,OEVDPQNADFMVDS-UHFFFAOYSA-N
rxn:4:202310:228241,CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccc1F,SIHCHFYGYBDMBT-UHFFFAOYSA-N
rxn:4:202313:227861,O=C(C1CCN(Cc2ccccc2-c2cnc3c(c2)CCCC3)CC1)N1CCC(F)(F)CC1,OVTKMAVRBJBRDB-UHFFFAOYSA-N
rxn:4:202320:222826,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,CCGNKFWUUCMCRU-UHFFFAOYSA-N
rxn:4:202592:225328,CCCSc1ncc(C(F)(F)F)cc1-c1c(CO[Si](C)(C)C(C)(C)C)nn2c1CCC2,RSICKOTZZXCEMT-UHFFFAOYSA-N
rxn:4:202648:223970,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCC(C)CC1,JCPZMOWMJZSVDW-UHFFFAOYSA-N
rxn:4:202656:223507,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccccc4S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc23)CC1,HPWPUPXLVZRIQE-UHFFFAOYSA-N
rxn:4:202686:224760,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)ccc3OCC2=O)CC1,WGIQLIIGKAGYCP-UHFFFAOYSA-N
rxn:4:202697:226037,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(C(F)(F)F)c(OC)c4F)cc3)SC3CS(=O)(=O)CC32)cc1,ONRCDZKNVUOWAR-UHFFFAOYSA-N
rxn:4:202700:226901,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,LMJCGNLDKTUEDC-UHFFFAOYSA-N
rxn:4:202712:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C3=O)cn2C(=O)OC(C)(C)C,HBCUFEHLDBACSY-QFIPXVFZSA-N
rxn:4:202713:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)CN(C3CCN(C(=O)OC(C)(C)C)CC3)C4=O)cn2)CC1,LLLUVEIMZAZWGD-UHFFFAOYSA-N
rxn:4:202714:224371,COC(=O)C1CCN(c2ncc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cn2)CC1,BYYJPCNBGDWDTF-UHFFFAOYSA-N
rxn:4:202734:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,UYJZMJBNNDXLTO-UHFFFAOYSA-N
rxn:4:202754:224284,COc1ccc(COc2ncc(-c3ccc4c(c3)CCCN4C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,KWLCXSQACVRGBN-UHFFFAOYSA-N
rxn:4:202755:228928,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cccnc4C(F)F)ccc3OCC2=O)CC1,CJHUVEZSQMOCQE-UHFFFAOYSA-N
rxn:4:202958:223540,COC(=O)c1ccnc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1[N+](=O)[O-],QFHIIOREIUKLIM-UHFFFAOYSA-N
rxn:4:203066:223594,Cn1cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC(C)(F)F)n1,OLJCYXBUBNULCG-UHFFFAOYSA-N
rxn:4:203446:223687,Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DZLCYIHCDUNPJS-UHFFFAOYSA-N
rxn:4:203545:224751,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)o1)N1CC(N2C(=O)CSC2=O)C1,WUYBPNJXSSCUKE-UHFFFAOYSA-N
rxn:4:203638:224393,O=S(=O)(NN1CCOCC1)c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,QPSHYBFNXPVXES-UHFFFAOYSA-N
rxn:4:203651:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1,SQAFNLIAEMBEKZ-UHFFFAOYSA-N
rxn:4:203709:226763,COC(=O)c1c(F)cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc1F,WEUYZXFYMFRKGR-UHFFFAOYSA-N
rxn:4:203821:222803,CN1CCN(C(=O)Cc2cc(F)ccc2-c2ccc(C3CCNC3)c(C(F)(F)F)c2)CC1,GTHBVDIQWLMRRP-UHFFFAOYSA-N
rxn:4:203863:222616,CCN1CCN(Cc2ccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cc2Cl)CC1,XWVMCOWYGWCDBM-UHFFFAOYSA-N
rxn:4:203865:222616,CCN1CCN(Cc2cccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c2Cl)CC1,WFOJZGVEYYMAIY-UHFFFAOYSA-N
rxn:4:203914:224834,CN1CCN(S(=O)(=O)c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)c(C(F)(F)F)c2)CC1,NSVMWBMBTAPOGB-UHFFFAOYSA-N
rxn:4:203919:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)cc2)CC1,SRPCYHGMUCLOHX-ALOJWSFFSA-N
rxn:4:203972:222960,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)c(C)c2)CC1,SUUBTQSDABZNQY-UHFFFAOYSA-N
rxn:4:203977:226504,CON(C)C(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,CWYRBOJJSGNZBX-UHFFFAOYSA-N
rxn:4:203985:226413,O=C(c1ccccc1-c1cccc(N2CCOCC2)c1)N1CCC(N2C(=O)COC2=O)CC1,XPEJYBNRJBTEGY-UHFFFAOYSA-N
rxn:4:203987:223695,O=C(c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,HTVQPUWEAWFQPJ-UHFFFAOYSA-N
rxn:4:203987:224622,O=C(c1cc(-c2ccn(C(=O)OCc3ccccc3)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,BXBICTAETXIYQK-UHFFFAOYSA-N
rxn:4:204014:224316,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)c2)CC1,VSVBJNVPSDYQBD-UHFFFAOYSA-N
rxn:4:204025:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(CN2CCN(C)CC2)c(S(C)(=O)=O)c1,AMZMKFHZRYFYCH-UHFFFAOYSA-N
rxn:4:204026:223901,CC1CCN(CCOc2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCN(C)CC3)cc2Cl)CC1,YUOFJRLXIRQRCC-UHFFFAOYSA-N
rxn:4:204046:225745,CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1[N+](=O)[O-],CHJHWGPAAPYBLT-UHFFFAOYSA-N
rxn:4:204048:223696,CC1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,JKFRIVCUAATXDJ-UHFFFAOYSA-N
rxn:4:204048:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC4(C)C)cc3)c2)CC1,OCIVRBSGXFOFIB-UHFFFAOYSA-N
rxn:4:204059:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,HJJQARXVNGVWKZ-UHFFFAOYSA-N
rxn:4:204066:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,ACGXJTAUDFLBRK-DIVCQZSQSA-N
rxn:4:204066:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,VQAYMNMTOHRBMZ-RQNOJGIXSA-N
rxn:4:204066:224424,CCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,VQAYMNMTOHRBMZ-UHFFFAOYSA-N
rxn:4:204066:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cc(C)cc(C(=O)N2CCC(N(C)C)CC2)c1,MMCFQQVQHSADGE-UHFFFAOYSA-N
rxn:4:204082:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)cc2)CC1,NRZMHRHBHNTKOD-UHFFFAOYSA-N
rxn:4:204082:224372,O=C(c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc([N+](=O)[O-])c1)N1CCCC1,IQPIOGFVNXZVNT-UHFFFAOYSA-N
rxn:4:204082:227613,O=C(c1cccc(-c2cnn(C3CCOCC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,QTOJBYKEERPHOV-UHFFFAOYSA-N
rxn:4:204082:228398,COc1ccc(Cl)c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1F,IDGQXBDDNSVFJX-UHFFFAOYSA-N
rxn:4:204082:228402,COc1c(Cl)ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1F,GJSGHXIJHWKRLV-UHFFFAOYSA-N
rxn:4:204102:222611,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cc2C)CC1,DATFTCHDYFEOKA-UHFFFAOYSA-N
rxn:4:204109:223181,CCNS(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,VFLRVPZFRHBUOR-UHFFFAOYSA-N
rxn:4:204109:226969,O=C1CCCc2cc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)ccc21,ZZDGOPYEGNTYAC-UHFFFAOYSA-N
rxn:4:204109:227828,Cc1c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cccc1C1CC1,UXOBHHPXPPJADX-UHFFFAOYSA-N
rxn:4:204109:228105,CCN(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccn1,XNRDXOAITUQWMT-UHFFFAOYSA-N
rxn:4:204120:225515,CC1(C)COc2cccc(-c3ccc(CN4CCCC(F)(F)C4)c(N4CCCC4)c3)c2OC1,VYLCDFIZUYNIII-UHFFFAOYSA-N
rxn:4:204134:226486,COC(=O)COc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,BLAJYRDKAKDHRC-UHFFFAOYSA-N
rxn:4:204140:222889,CN1CCN(Cc2cc(-c3cc(F)cc(CN4CCNCC4)c3)cc(C(C)(C)C)c2)CC1,YSQRBYWWZGKTSX-UHFFFAOYSA-N
rxn:4:204142:226464,COc1ccc2c(c1-c1ccc(CN3CCOC(C)C3)c(N3CCOCC3)c1)OCCO2,SAQABUFEZATRJU-UHFFFAOYSA-N
rxn:4:204153:223505,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)c(C)c3)CC2)cc1,LBTNHKNCZROADA-UHFFFAOYSA-N
rxn:4:204157:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1,TUDZSUOAUZTUPR-UHFFFAOYSA-N
rxn:4:204168:226226,COCCOCc1ccccc1-c1ccc(CN2CCC(C)CC2)c(N2CCOCC2)c1,OUTMHJINNDJDCO-UHFFFAOYSA-N
rxn:4:204169:226464,COc1ccc2c(c1-c1ccc(CN3CCOC(C)C3)c(N3CCCCC3)c1)OCCO2,DDTDTKTTYZMTHM-UHFFFAOYSA-N
rxn:4:204179:224396,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3C)CC2)cc1C,QRWYBZVKGIZYIV-UHFFFAOYSA-N
rxn:4:204393:223559,CCOC(=O)c1c(C)nc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cn12,GMCTVCCOGPYOBB-UHFFFAOYSA-N
rxn:4:204404:223813,CCOC(=O)c1nc2n(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(F)c1)CCCC2,JKPBFYJLUWXTFQ-UHFFFAOYSA-N
rxn:4:204472:223490,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3cnc(Cl)cc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YDPWOEYUMSKYQL-UHFFFAOYSA-N
rxn:4:204475:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)cc2C1,GLBGXJOEDGCKGK-UHFFFAOYSA-N
rxn:4:204491:224394,Cc1ccc(-c2c(C(=O)OC(C)(C)C)nc3n2CCC3)cc1S(=O)(=O)N1CCOCC1,GNBRJHAMRKVONN-UHFFFAOYSA-N
rxn:4:204513:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,OBQHZLWCHBOEKM-UHFFFAOYSA-N
rxn:4:204514:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc12,ZBDAVTPADXBOQB-UHFFFAOYSA-N
rxn:4:204595:222948,CC(C)(C)OC(=O)N1CCc2nc(-c3cnc(N4CCC(O)CC4)nc3Cl)sc2CC1,WOPOXFDDGGUDAE-UHFFFAOYSA-N
rxn:4:204600:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2,OJVJAUORGLPWAS-UHFFFAOYSA-N
rxn:4:204682:224280,Cc1cc2c(c(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)n1)CN(C(=O)OC(C)(C)C)CC2,QQKXYVPWWWBXSE-UHFFFAOYSA-N
rxn:4:204693:225926,O=C(N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1)C1CC1,LDSJYJZMAJTJHZ-UHFFFAOYSA-N
rxn:4:204700:225871,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)o1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,IZFDMVYYHULHBN-UHFFFAOYSA-N
rxn:4:204720:222854,CCN1CCN(Cc2cc3c(c(-c4cc(C5CCCNC5)ccc4OC)c2)OCC3)CC1,DZNAVGNAKJZHET-UHFFFAOYSA-N
rxn:4:204720:222856,CCN1CCN(Cc2cc3c(c(-c4cc(C5CCNCC5)ccc4OC)c2)OCC3)CC1,MUNGBKONJRAUFF-UHFFFAOYSA-N
rxn:4:204720:222857,CCN1CCN(Cc2cc3c(c(-c4cc(OC)cc(C5CCNCC5)c4)c2)OCC3)CC1,ZUALDTULSUTVMB-UHFFFAOYSA-N
rxn:4:204768:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)cc2Cl)CC1,IHELIVMPFSOLJN-UHFFFAOYSA-N
rxn:4:205057:223606,O=S(c1cnc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cn1)C(F)(F)F,KAKMMXRFOPNJRK-UHFFFAOYSA-N
rxn:4:206351:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccn2)CC1,NNBRENKLJSXQPH-UHFFFAOYSA-N
rxn:4:206444:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)c(F)c2)CC1,JIACEXGITLJNNX-MXVIHJGJSA-N
rxn:4:206491:223777,COc1ncc(-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)n1C1CCOCC1,DKPXJJIKRBMTON-UHFFFAOYSA-N
rxn:4:206671:223659,CCc1nc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCOCC1,QZJFLPFPCDCUHU-UHFFFAOYSA-N
rxn:4:206793:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(N)(=O)=O)ccc1N1CCOCC1,JXUHCIFZBBSKCJ-UHFFFAOYSA-N
rxn:4:206793:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(S(N)(=O)=O)ccc1N1CCOCC1,XBNOXGZWFMCZKJ-UHFFFAOYSA-N
rxn:4:206807:225763,COC(=O)c1cc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)c(C)cc1OC,JKMZZJJUNLDCEN-UHFFFAOYSA-N
rxn:4:206976:224818,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)CC1,KQGDVZBLFJLKMH-UHFFFAOYSA-N
rxn:4:206997:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cc(C2CCCCC2)nc(C2CC2)n1,FOXJVVDHTMZSCA-UHFFFAOYSA-N
rxn:4:207028:222537,CC(C)N1CCCC(c2cccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)n2)C1,UVZFNXZMFLRREX-UHFFFAOYSA-N
rxn:4:207048:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)cc2)CC1,DFQRCBUPUDDIRO-RGSBCIAFSA-N
rxn:4:207054:222465,Cc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc(CN2CCN(C)CC2)c1F,VYQYXEGWPXHAKI-UHFFFAOYSA-N
rxn:4:207067:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3nc(C4CCOCC4)cc(C(C)(C)C)n3)cc2C1,PGMWOAURBOVAFU-UHFFFAOYSA-N
rxn:4:207079:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(C)cc(C(=O)N4CCN(C)CC4)cc3C)c(F)c2)CC1,FVEBTMLZMJHDRY-YHBQERECSA-N
rxn:4:207086:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,DZBPJJRBHNRYFF-UHFFFAOYSA-N
rxn:4:207286:223489,CCOc1nc2[nH]ccc2cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,RHNLFHSFDGGFCN-UHFFFAOYSA-N
rxn:4:207328:223602,CCOc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc2n1CCOC2,IMHWBZQVXMPVAB-UHFFFAOYSA-N
rxn:4:207360:223540,COC(=O)c1c2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc2nn1C,MOEBHSIGFWGTQP-UHFFFAOYSA-N
rxn:4:207747:226900,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,YUMCPWVYZDUTMP-UHFFFAOYSA-N
rxn:4:207794:224318,CN1CCN(Cc2cc3c(c(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)c2)OCC3)CC1,RAZIKBORKCIPNH-UHFFFAOYSA-N
rxn:4:207852:223997,Cc1ccccc1N1C(=O)N(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)C2CS(=O)(=O)CC21,FBOBZNFKKIUJDN-UHFFFAOYSA-N
rxn:4:207946:225433,COc1cc(-c2ccc(CSC3CCCC3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,YIBOGFFDHPRMEX-UHFFFAOYSA-N
rxn:4:207965:227310,CCC(C)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)cc1Cl,RTQDYGUEXOELOK-UHFFFAOYSA-N
rxn:4:209221:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccnc(N3CCSC3)c2)CC1,QXRHVMYGPOSFRR-UHFFFAOYSA-N
rxn:4:209221:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(N4CCSC4)c3)c2)CC1,HCMHFVVRVNUQDQ-UHFFFAOYSA-N
rxn:4:209436:223606,Cc1nc(N2CCCC2)sc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,LUMROCAEMNJYCU-UHFFFAOYSA-N
rxn:4:209632:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2)CC1,YHOFIDXWMLFUJW-UHFFFAOYSA-N
rxn:4:209640:223696,O=S(=O)(c1ccc(-c2cc(F)cnc2N2CCOCC2)cc1)N1CCC2(CC1)OCCO2,ADPWZOSJJWPIJK-UHFFFAOYSA-N
rxn:4:209671:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc(N4CCC(=O)CC4)c3)cn2)CC1,RQCFVNOQPCIFFR-UHFFFAOYSA-N
rxn:4:209807:223695,C[C@@H]1CCCC[C@H]1n1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,BTGHFSWUMDJLQZ-XMSQKQJNSA-N
rxn:4:209812:223659,Cc1c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cnn1C1CCS(=O)(=O)CC1,UGXLGJREYFQING-UHFFFAOYSA-N
rxn:4:209867:223588,Cc1cc(-c2cnc(C3CCCCC3)nc2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UHAPQQUBNIWUQL-UHFFFAOYSA-N
rxn:4:210547:223606,CN1Cc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc([N+](=O)[O-])c2C1=O,GPDWGRCOEREFNU-UHFFFAOYSA-N
rxn:4:210789:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nn(C2CC2)c2c1COC21COC1,XJIYMMHOVWARKD-UHFFFAOYSA-N
rxn:4:211099:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCCC1)O2,JUGLWCBMNWGFGG-UHFFFAOYSA-N
rxn:4:211224:223482,Cc1cnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(Cl)n1,MLMTWOHJZXPNPK-UHFFFAOYSA-N
rxn:4:212410:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3n2CCCCCC3)CC1,CSBFMXZYUCGMFY-UHFFFAOYSA-N
rxn:4:212515:225367,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cnc(N2CCC(F)(F)CC2)nc1,VXWOOPNPLRCYBN-UHFFFAOYSA-N
rxn:4:212571:223884,Cn1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,HVIUGIUNKQNABD-UHFFFAOYSA-N
rxn:4:212571:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cn(C)nc1OCC1CN(C(=O)OC(C)(C)C)C1,LJNBMNJJAPKOMX-UHFFFAOYSA-N
rxn:4:212593:223227,CC(NC1CC1)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)s1,JZCMHXRXMSKQHB-UHFFFAOYSA-N
rxn:4:212605:223536,Cn1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,QMPHELXNNKIYCN-UHFFFAOYSA-N
rxn:4:212619:223637,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)C1,JAADOWMKFBGMRZ-UHFFFAOYSA-N
rxn:4:212641:226652,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C)nn4C4CCCCO4)o3)CC2)C1=O,DVWUYZBZTTWJOC-UHFFFAOYSA-N
rxn:4:212651:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc([N+](=O)[O-])cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,NLHITOUDJUUOJE-UHFFFAOYSA-N
rxn:4:212652:224161,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MKFSLGBWQYVGAR-UHFFFAOYSA-N
rxn:4:212652:228645,COC(=O)c1cc(-c2cc(C)c(Cl)cc2C)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VFRDYRVBQNLLAD-UHFFFAOYSA-N
rxn:4:212658:224356,COC(=O)c1ncc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OC(C)(C)C)CC1,XMXJIHMZKFVIEB-UHFFFAOYSA-N
rxn:4:212675:223588,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],JAGDBXUSIHJEEB-UHFFFAOYSA-N
rxn:4:212675:223885,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-],BENJBJFYXLFDQK-UHFFFAOYSA-N
rxn:4:212691:226511,CN(C(=O)c1ccc(-c2cc(Cl)cnc2OCC2CC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,PJOZAKVFCHBGGY-UHFFFAOYSA-N
rxn:4:212695:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c1,OSYPLICXORDYDM-UHFFFAOYSA-N
rxn:4:212704:223669,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)n1,HFXVHZGRGNQRLF-UHFFFAOYSA-N
rxn:4:212731:225986,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccccc5N5CCCS5(=O)=O)cc4)C3)n2)c1,RHZWMLLUQAQXKJ-UHFFFAOYSA-N
rxn:4:212738:223885,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2N2CCOCC2)CC1,HLAMLFPYADWJRD-UHFFFAOYSA-N
rxn:4:212741:222947,CC1CN(Cc2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,CVYHXZVJBSGZJR-UHFFFAOYSA-N
rxn:4:212741:223790,CC1CN(Cc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,YPGNWAUACMHODG-UHFFFAOYSA-N
rxn:4:212741:223935,CC1CN(Cc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,JOXQLLCLVLYPIR-UHFFFAOYSA-N
rxn:4:212748:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,UJSFLUYYRBCZDS-NWKHJAAOSA-N
rxn:4:212770:224720,CCOC(=O)c1nn2c(c1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1)CN(C(=O)OC(C)(C)C)CC2,AFMLUVZAVQCPQM-UHFFFAOYSA-N
rxn:4:212791:228193,CCOC(=O)c1nn2c(c1-c1cnn(C3CCCC3)c1)CN(C(=O)OC(C)(C)C)CCC2,PZRRMRRETXKOQR-UHFFFAOYSA-N
rxn:4:212816:225825,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCc5c[nH]c6ccccc56)CC4)cc3)cn2)CC1,HHNXMUBZBBSFIM-UHFFFAOYSA-N
rxn:4:212824:225898,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cnn(CCN6CCOCC6)c5)cc4s3)CC2)cc(OC)c1OC,OYMVDTUHBMSYNH-UHFFFAOYSA-N
rxn:4:212829:224653,CN(C(=O)c1cc2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,GSQVTHRYPIZSSX-UHFFFAOYSA-N
rxn:4:212906:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncc(OC3CN(C(=O)OC(C)(C)C)C3)n2)CC1,OBFMMEWCMLIBPO-UHFFFAOYSA-N
rxn:4:212923:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)ccc2F)CC1,IEQFFSHDDWWTLO-UHFFFAOYSA-N
rxn:4:212923:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)CC1,RJMNXHZJWADIJW-UHFFFAOYSA-N
rxn:4:212939:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)ccc2F)CC1,JCYVHIKNORVQNP-UHFFFAOYSA-N
rxn:4:212942:223534,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cn2)C1,GHBZLPWZWLTTJZ-UHFFFAOYSA-N
rxn:4:212944:225899,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C)nn2C(=O)OC(C)(C)C)CC1,MGGQNGURZSFLTK-UHFFFAOYSA-N
rxn:4:212969:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCN(C(=O)CC3CC3)CC2)nc1,VHULEYSDXQJKFU-UHFFFAOYSA-N
rxn:4:213007:223970,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cc1F,ISPPIZIVLIBKFZ-UHFFFAOYSA-N
rxn:4:213010:225975,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,XHKZRFRXZLOTKO-KRWDZBQOSA-N
rxn:4:213041:223521,CC(c1cccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,IUNBNJUNALVUAQ-UHFFFAOYSA-N
rxn:4:213041:224276,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,UTLOPZAODQYRPB-UHFFFAOYSA-N
rxn:4:213043:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)C1,QGTAZESZFPCQEI-UHFFFAOYSA-N
rxn:4:213043:223940,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,YVWWVFXQEBFSLE-UHFFFAOYSA-N
rxn:4:213061:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,ACSMDANMJIKHMC-UHFFFAOYSA-N
rxn:4:213070:223044,CC(C)NC(=O)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,JUQAJSKZOQYRBN-UHFFFAOYSA-N
rxn:4:213070:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,GSVHINKJSXWROW-UHFFFAOYSA-N
rxn:4:213080:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,UKYVSTNGMAJXAR-UHFFFAOYSA-N
rxn:4:213081:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(Cl)c1,PXUFOASBPAPLJV-UHFFFAOYSA-N
rxn:4:213081:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)c2)CC1,SYXNWAPQEAPWFF-UHFFFAOYSA-N
rxn:4:213081:223941,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc2C#N)CC1,PTBREXJRADHVGM-UHFFFAOYSA-N
rxn:4:213081:224290,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2C#N)CC1,NFGFNPKZIDCMNU-UHFFFAOYSA-N
rxn:4:213088:226421,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)cc3N3CCCC3)c2C#N)CC1,SORSJTUUSIUBTR-UHFFFAOYSA-N
rxn:4:213092:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N,WGPWFPWRHDHNPC-UHFFFAOYSA-N
rxn:4:213092:225227,CC1CCN(c2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C#N)cc2Cl)CC1,MRRJHYORSZEBMD-UHFFFAOYSA-N
rxn:4:213099:228193,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnn(C4CCCC4)c3)c2C(F)(F)F)CC1,MTWJIHXKIBEBRK-UHFFFAOYSA-N
rxn:4:213109:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,TUVJEMXTEWJFHJ-UHFFFAOYSA-N
rxn:4:213126:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(Cl)c1,HKFULLJQXFLCRP-UHFFFAOYSA-N
rxn:4:213128:226532,CCOC(=O)c1cc(F)cc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)c1,PGVYBWQWJQTZJH-UHFFFAOYSA-N
rxn:4:213129:226158,COc1nc(-c2ccccc2N2CCCCC2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,ABSXYKXPNJFVLE-UHFFFAOYSA-N
rxn:4:213129:226870,COc1nc(-c2ccc(F)c(OC(F)(F)F)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,ILQSMUUSRDLQPS-UHFFFAOYSA-N
rxn:4:213129:227385,COc1nc(-c2cnc(C(C)(C)C)nc2C)cn1C1CCN(C(=O)OC(C)(C)C)CC1,HWDQMWZVJFZLHV-UHFFFAOYSA-N
rxn:4:213133:226374,c1ncc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)c(C2CCCCC2)n1,OSJBHSIFXRMVSK-UHFFFAOYSA-N
rxn:4:213138:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)cnc2F)CC1,GMQVXVPANOELSM-UHFFFAOYSA-N
rxn:4:213139:223106,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cc2[N+](=O)[O-])CC1,LKBDHVJTCYFIIU-UHFFFAOYSA-N
rxn:4:213143:223777,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)ccc2[N+](=O)[O-])CC1,LHVQLGUIWFZEJT-UHFFFAOYSA-N
rxn:4:213143:228218,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CC4)ncc3F)ccc2[N+](=O)[O-])CC1,HPVYCTZEJFOHPE-UHFFFAOYSA-N
rxn:4:213147:224280,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,ITBQZRXBINCIDB-UHFFFAOYSA-N
rxn:4:213147:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RYHYAJMXBUUZJN-UHFFFAOYSA-N
rxn:4:213147:228218,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CC4)ncc3F)c2)CC1,GPMOAGBZEVTIJN-UHFFFAOYSA-N
rxn:4:213150:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,LSWMSKSLGHMSBA-UHFFFAOYSA-N
rxn:4:213150:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,SHDQIUXFQCVCML-UHFFFAOYSA-N
rxn:4:213180:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)cc2)CC1,FAQBNONAHYXISE-FBSWEULCSA-N
rxn:4:213217:225227,CCN1CCN(c2ncc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)cc2C(=O)OC(C)(C)C)CC1,VOQJWIZCUMWDBT-UHFFFAOYSA-N
rxn:4:213223:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(Cn4ccnc4C)CC3)cc2)CC1,OVUIPVSYBSKEQE-KWQFAZJVSA-N
rxn:4:213223:223888,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,XPCPLBUNNQJVCX-UHFFFAOYSA-N
rxn:4:213237:223184,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)[nH]1,YNMYZYCGEXWGHM-NRFANRHFSA-N
rxn:4:213258:225832,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1c(C)nn(C2CCCCO2)c1C,XGEFGBFSJINGNJ-UHFFFAOYSA-N
rxn:4:213260:228919,CSc1ncc(Cl)cc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,AKYRCHOVKCIKEL-UHFFFAOYSA-N
rxn:4:213289:223940,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)CC1,DNNHWGFPNNNCMQ-UHFFFAOYSA-N
rxn:4:213320:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc(C(=O)OC)c4n3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,UXCRQAFCMWFUGX-UHFFFAOYSA-N
rxn:4:213320:224272,COC(=O)c1nc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,XMWRKZWHXNYEBF-UHFFFAOYSA-N
rxn:4:213320:226177,COC(=O)c1nc(-c2ccnc(C3CCCCC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,BHYGWZMBWXCGSX-UHFFFAOYSA-N
rxn:4:213336:225832,COC(=O)c1nc(-c2c(C)nn(C3CCCCO3)c2C)n2c1CCN(C(=O)OC(C)(C)C)CC2,UGKNBYLSNQOVPH-UHFFFAOYSA-N
rxn:4:213428:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)c2)C1,JNEMOEZFJFFRBJ-STJUJJKNSA-N
rxn:4:213458:226836,COc1ccc(-c2cn(C(C)C)nc2C(F)(F)F)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,TXZNBIQRPQXFIV-ZONZVBGPSA-N
rxn:4:213476:229266,Cc1nc(C)c(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)o1,WOMQUSQFKFUICZ-WASJGJKXSA-N
rxn:4:213497:223696,COCn1nc(C(=O)OC)nc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,YSDMANQVRTVVAN-UHFFFAOYSA-N
rxn:4:213632:224290,CC(C)(C)OC(=O)N1CC(n2ccnc2-c2ccc(Cl)cc2OCCN2CCOCC2)C1,RRDKOKFUQQXHFD-UHFFFAOYSA-N
rxn:4:213660:224292,CCOC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)OCC(C)(C)C)c(C)c3)cn2)CC1,MTFMLEVMUOSQCC-UHFFFAOYSA-N
rxn:4:213715:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,ZMLVAXVPDVHTOU-UHFFFAOYSA-N
rxn:4:213764:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c1,JNAPXHZRIMFWCF-UHFFFAOYSA-N
rxn:4:213767:223504,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)o2)CC1,BDJAFAVMSASKFU-UHFFFAOYSA-N
rxn:4:213767:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)n(C(=O)OC(C)(C)C)c12,PNZMGFVWRPMQRE-UHFFFAOYSA-N
rxn:4:213769:225227,CC1CCN(c2ncc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)nc3)cc2Cl)CC1,GTPZLTNWFRUFOO-UHFFFAOYSA-N
rxn:4:213786:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)c2nccn2C)C1,IVSRDUIMOALKQH-UHFFFAOYSA-N
rxn:4:213794:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,XTZMRGCQJLFEFP-UHFFFAOYSA-N
rxn:4:213799:225741,CCCCOc1c(F)cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)cc1Cl,RRZYQZYELSYRQE-UHFFFAOYSA-N
rxn:4:213801:225472,CC1CCCCN1c1cccc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)c1,ZAZQOVOIPNNGFJ-UHFFFAOYSA-N
rxn:4:213802:224197,CCN1CCN(Cc2ccc(-c3cccnc3OC3CCN(S(=O)(=O)N(C)C)CC3)cc2F)CC1,NURLVUOJMWDPEU-UHFFFAOYSA-N
rxn:4:213805:224718,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,ZPLRLFGMSHHYKU-UHFFFAOYSA-N
rxn:4:213828:222741,O=S(=O)(c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1,GTHDIJKNVUMKAR-UHFFFAOYSA-N
rxn:4:213828:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,QVRNDRXRLLUCCI-UHFFFAOYSA-N
rxn:4:213836:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccnn1C1CCCN(C(=O)OC(C)(C)C)C1,UYBGIAJRORHFSF-UHFFFAOYSA-N
rxn:4:213838:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)c1,PIPJGVNZGWQATJ-UHFFFAOYSA-N
rxn:4:213838:225828,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2cnc(N3CCCCCC3)nc2)CC1,YJNQBBPXUARAFQ-UHFFFAOYSA-N
rxn:4:213839:223106,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cnc(N3CCC(O)C3)nc2Cl)CC1,AUWAGZBLUOZTIG-UHFFFAOYSA-N
rxn:4:213839:225233,CC1CCCN(c2cc(-c3nccn3C3CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)C1,YIMVKXUCCDEKRI-UHFFFAOYSA-N
rxn:4:213865:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2c(C)noc2C)C1,PHYRZPPYFHOGTN-UHFFFAOYSA-N
rxn:4:213868:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc1,AZODYTZBKJHRRH-UHFFFAOYSA-N
rxn:4:213875:225665,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)cc3N3CCCCC3)n2)CC1,QWCMNGYVUOKULV-UHFFFAOYSA-N
rxn:4:213877:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1,JTRHYBINXDTKFK-UHFFFAOYSA-N
rxn:4:213879:225810,COc1ccc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C2OCCO2)c1,IAZMRWOORYQZJW-UHFFFAOYSA-N
rxn:4:213884:223774,COc1cccc2c1cc(-c1nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,FEDHWFNISWKGKH-UHFFFAOYSA-N
rxn:4:213884:224273,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)n2)CC1,QHQSNCSAMCCDOQ-UHFFFAOYSA-N
rxn:4:213885:222787,CC(C)(C)OC(=O)Nc1ccc(-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c(Cl)c1,NAYYEAAALJDQEY-UHFFFAOYSA-N
rxn:4:213887:223761,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)nc2)CC1,FUFSINKVPNSHRH-UHFFFAOYSA-N
rxn:4:213891:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2)C1,CYJSMVXTACEGIA-UHFFFAOYSA-N
rxn:4:213894:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,XDYIFNSKGMXRHS-UHFFFAOYSA-N
rxn:4:213902:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,AMSXRLIJOHPXFN-UHFFFAOYSA-N
rxn:4:213920:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cccc([N+](=O)[O-])c2N2CCN(Cc3ccccc3)CC2)CC1,HVGRIIFCAPHNST-UHFFFAOYSA-N
rxn:4:213920:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)cc21,ZUTOLDNAFLRLBE-UHFFFAOYSA-N
rxn:4:213943:223480,Cc1cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RTWXCWQVQXUCTK-UHFFFAOYSA-N
rxn:4:213944:226716,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccn(C(=O)OC(C)(C)C)n2)[nH]1,AGCUQPOHUQGZTP-UHFFFAOYSA-N
rxn:4:213945:223573,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,LOBDTRXHGJWAHI-UHFFFAOYSA-N
rxn:4:213971:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,FQZWNZQVWPYCOI-UHFFFAOYSA-N
rxn:4:213979:223649,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,UXPPNBOAJCEEFJ-UHFFFAOYSA-N
rxn:4:213979:223687,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nn1,CSYFHACZSGKEBV-UHFFFAOYSA-N
rxn:4:213980:223638,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)n1,SMVDBWADPXRYMS-UHFFFAOYSA-N
rxn:4:213982:223579,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ncn1,CSQUCUOZAWYJHH-UHFFFAOYSA-N
rxn:4:213987:223588,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,AETNFDJJWGOYIJ-UHFFFAOYSA-N
rxn:4:213996:224368,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c1,IGDLYODOJRGBBG-UHFFFAOYSA-N
rxn:4:214008:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,UGYXAZOMUBDYTJ-UHFFFAOYSA-N
rxn:4:214044:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5nc(-c6cccc(F)c6)no5)C4)cc3)cc2)CC1,DZYAPAWZYHBZSE-UHFFFAOYSA-N
rxn:4:214047:226247,CCOc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2C)c(OCC)c1,RMPRDDWUNIWLNR-UHFFFAOYSA-N
rxn:4:214050:223904,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1F,CMTKROBOMNVWNV-UXHICEINSA-N
rxn:4:214054:228377,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc([N+](=O)[O-])c1,DWASOPDEWPXKBW-UHFFFAOYSA-N
rxn:4:214054:228601,CC(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,NVKJDSFCPIRRCO-UHFFFAOYSA-N
rxn:4:214062:227478,CCN1CCN(Cc2ccc(-c3cncc(C(OC)OC)c3)cc2N2CCOCC2)CC1,QEWRFOBYGCZLSV-UHFFFAOYSA-N
rxn:4:214064:224397,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2N2CCOCC2)CC1,ICPQFTZDOYXFHM-UHFFFAOYSA-N
rxn:4:214064:227361,COc1cc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c(OC)cc1C,RYQGRKINNJUTQN-UHFFFAOYSA-N
rxn:4:214074:224321,Cc1nn(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,MKMRDYOOTCYKLO-UHFFFAOYSA-N
rxn:4:214078:225724,CCN1CCN(Cc2ccc(-c3ccc(OCCN(C)C)c(F)c3)cc2N2CCCCC2)CC1,FLPYTEUKHDFQOD-UHFFFAOYSA-N
rxn:4:214086:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCCC4)c3)cc2)CC1,NPJXKAOISGVLHH-WXUXXXNLSA-N
rxn:4:214086:227272,COCc1ccc(OC)c(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)c1,PQWKDNZEEHGRIJ-UHFFFAOYSA-N
rxn:4:214145:225408,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cc4c5c(c3)CCCN5CCC4)c2C1,YWJOAXJVJIZNNN-UHFFFAOYSA-N
rxn:4:214146:226831,CCCn1cc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,APEABEBNNQGBRT-UHFFFAOYSA-N
rxn:4:214146:227674,COc1c(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc(C)c(F)c1F,KOLBJFHSBLICNU-UHFFFAOYSA-N
rxn:4:214179:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccn2cnc(C3CN(C(=O)OC(C)(C)C)C3)c2c1,NDPAODGEFWNIGU-UHFFFAOYSA-N
rxn:4:214229:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc2C1,QWAPWQDNQYBCSM-UHFFFAOYSA-N
rxn:4:214234:223491,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cc23)CC1,XXYKHDUUWGFONS-UHFFFAOYSA-N
rxn:4:214236:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,BRSGUEYREDACST-UHFFFAOYSA-N
rxn:4:214276:223592,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cnc3[nH]2)CC1,LFUYWGNPHRXZMT-UHFFFAOYSA-N
rxn:4:214277:223941,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc32)CC1,XDGPALCKLKLAAC-UHFFFAOYSA-N
rxn:4:214292:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2c1,YYLFESVJDXNHAT-MFEFFIJZSA-N
rxn:4:214296:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)CC1,XBKWVKMDOUCMAL-UHFFFAOYSA-N
rxn:4:214347:222622,CCC(C)c1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc(C2CCCNC2)n1,PRSOYLYGOVTTLE-UHFFFAOYSA-N
rxn:4:214347:222730,CCCc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc(C2CCNCC2)n1,PLGVVEFLIUQCAD-UHFFFAOYSA-N
rxn:4:214407:223594,COCn1nc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1C(=O)[O-],IMNYKTHFDJQSQJ-UHFFFAOYSA-M
rxn:4:214409:223695,COC(=O)c1n[nH]c([N+](=O)[O-])c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,VVDQYDWNSDFBJE-UHFFFAOYSA-N
rxn:4:214644:224292,Cc1cc(-c2nc(OC(C)C)n(C3CCCCO3)n2)ccc1S(=O)(=O)OCC(C)(C)C,XGPDPXHUCWTTQB-UHFFFAOYSA-N
rxn:4:214710:222722,CCN1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,NYYMJRLEPITRJJ-UHFFFAOYSA-N
rxn:4:214734:224394,Cc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1,DAWDVJJLPZCOLD-UHFFFAOYSA-N
rxn:4:214762:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cn3)cc2)CC1,BLZIYFPXKXLCHJ-DUYHBEBVSA-N
rxn:4:214773:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(S(=O)(=O)N2CCN(C(C)C)CC2)c1,HVMRGLSCDXBPGP-UHFFFAOYSA-N
rxn:4:214803:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,JFSGWTHDVJMHPR-UHFFFAOYSA-N
rxn:4:214818:224672,CCN1CCN(c2ccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c(Cl)c2)CC1,IWBBITNVYJUGSU-UHFFFAOYSA-N
rxn:4:214829:226255,CCCCOc1ccc(Cl)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,NNBUMLKRQPFLBP-UHFFFAOYSA-N
rxn:4:214830:225093,CCCOc1c(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,NUJOFNIMWZHSGM-UHFFFAOYSA-N
rxn:4:214838:226685,O=C(C1CN(c2ncc(-c3cnc(C4CCOCC4)nc3)cc2F)CCO1)N1CCOCC1,FKJGHAOHQFPFDZ-UHFFFAOYSA-N
rxn:4:214867:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,FGBVBQPAVDULQE-UHFFFAOYSA-N
rxn:4:214871:222584,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)C1)N1CCOCC1,AHJIEKLBLZPCQI-UHFFFAOYSA-N
rxn:4:214872:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,UEQCBUKYVFGAIJ-UHFFFAOYSA-N
rxn:4:214875:223812,O=C(C1CCCN(c2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2F)C1)N1CCSCC1,FJALXZOGDMVOAZ-UHFFFAOYSA-N
rxn:4:214880:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,IZDWCYPNINXQNV-UHFFFAOYSA-N
rxn:4:214886:229048,O=C(C1CCN(c2ncc(-c3cnn4c3CCC4)cc2F)CC1)N1CCC(F)(F)CC1,NIQUFIFKQYUBAL-UHFFFAOYSA-N
rxn:4:214894:226464,COc1ccc2c(c1-c1ccc(CN3CCN(C)CC3)c(N3CCOCC3)c1)OCCO2,JYIKFXILZCCVRC-UHFFFAOYSA-N
rxn:4:215016:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)cn2)CC1,QUHRVSLNBPMASL-UHFFFAOYSA-N
rxn:4:215027:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cnc2C1,VZDPEKJGZSEWBH-UHFFFAOYSA-N
rxn:4:215056:225946,CC(=O)c1cc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc(C(F)(F)F)c1,PYWDOCYEYWSUEE-UHFFFAOYSA-N
rxn:4:215058:224773,Cc1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1S(=O)(=O)N1CCCC1,BLRKRGCPBUVVTR-UHFFFAOYSA-N
rxn:4:215096:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)C2C,TZVLNQJPHYFAML-UHFFFAOYSA-N
rxn:4:215101:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)ccc2F)CC1,FQRFUICLOIDLKV-UHFFFAOYSA-N
rxn:4:215101:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,DUGFRSURKDUZGI-UHFFFAOYSA-N
rxn:4:215110:224687,Cc1nc(-c2cc(F)cc(CN3CCC(=O)CC3)c2)c2n1CCN(C(=O)OC(C)(C)C)C2,FXVJXQRCGLUZRR-UHFFFAOYSA-N
rxn:4:215110:225303,Cc1nc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)c2n1CCN(C(=O)OC(C)(C)C)C2,AMCMBWNLRSKSTM-UHFFFAOYSA-N
rxn:4:215216:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)CC1,HWVGMDMIUYIYLR-MKAXWDIPSA-N
rxn:4:215296:227349,CCCN1CCC2(CC1)Oc1ccc(-c3cc(C)cc(OC)c3OC)cc1C1CC(c3ccccc3)=NN12,YZDXCDZCCUQUKB-UHFFFAOYSA-N
rxn:4:215303:222890,CCCN1CCC2(CC1)Oc1ccc(-c3cc(OC)nc(C4CCCNC4)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,WJPWOQRKZMOLBS-UHFFFAOYSA-N
rxn:4:215721:223602,Cc1n[nH]c(C(=O)N2CCCC2)c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,QBGIZBVYBKJIKE-UHFFFAOYSA-N
rxn:4:215782:223695,CCN1CCN(c2nc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cs2)CC1,ISAOSZKEHHABJJ-UHFFFAOYSA-N
rxn:4:215897:223992,Cc1ccc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc1S(=O)(=O)N1CCN(C)CC1,MMUOFDOBRJJMLO-UHFFFAOYSA-N
rxn:4:215897:224761,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cccc(S(=O)(=O)N2CCCCC2)c1,DMAWZAHUMQTAQB-UHFFFAOYSA-N
rxn:4:215906:224379,CN1CCN(S(=O)(=O)c2cncc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)c2)CC1,OLYYMDHQWNZVGG-UHFFFAOYSA-N
rxn:4:215939:223501,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,YRWLXITWUXSWID-UHFFFAOYSA-N
rxn:4:215939:224290,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,OWBTXPWFDBLMKU-UHFFFAOYSA-N
rxn:4:215970:222929,CSc1ncc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)c(N2CCC3(CC2)OCCO3)n1,RQZMKZAXEKXVJP-UHFFFAOYSA-N
rxn:4:216252:224801,CCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc(C(F)(F)F)c1F,UYJRTSOKZCNIRD-UHFFFAOYSA-N
rxn:4:216252:225896,COCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c(F)cc1F,LZJSEMFLLJSGCO-UHFFFAOYSA-N
rxn:4:216252:226038,COc1cc(C(F)(F)F)c(F)cc1-c1nn(C2CCOCC2)c2c1CN(C(C)=O)CC2,MUPYBFIYWSGVHP-UHFFFAOYSA-N
rxn:4:216567:223482,CC(C)n1cnnc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,ILDSSPKPTFUBGD-UHFFFAOYSA-N
rxn:4:217024:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ncn(C4CCCCO4)n3)cc2)CC1,QVTCMVTZJRIFMD-UHFFFAOYSA-N
rxn:4:217156:223695,CN1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)n2)CC1=O,GYUDEVGGORKMHM-UHFFFAOYSA-N
rxn:4:217176:223659,CC1CCCCN1c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,BXTFFNOJLOONPV-UHFFFAOYSA-N
rxn:4:217665:223491,CC(C)n1cnc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)nc(F)c21,VXABKFPQJCHUOT-UHFFFAOYSA-N
rxn:4:217792:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2F)CC1,GBYHJPWWLFTKSE-UHFFFAOYSA-N
rxn:4:217898:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(C)nn4c(C(F)(F)F)c5c(nc34)CCCC5)c(F)cc2C)CC1,OTXKFQMZGKQWJU-UHFFFAOYSA-N
rxn:4:218615:223536,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,JBYHLDHCTVTRJX-UHFFFAOYSA-N
rxn:4:218655:223777,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,XQWHBWOEQZEHQJ-UHFFFAOYSA-N
rxn:4:218684:224271,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cc5cccnc5n4C(=O)OC(C)(C)C)c3)ccc2C#N)CC1,BVGJWGSIACITPX-UHFFFAOYSA-N
rxn:4:218706:226649,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccnc4N4CCOCC4)c3C)CC2)cc1C,ZOJAGHFVXCYMIS-UHFFFAOYSA-N
rxn:4:218714:226649,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccnc4N4CCOCC4)c3C)CC2)c(C)c1,SLBVFWMSVCYUND-UHFFFAOYSA-N
rxn:4:218750:223671,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)no2)c1=O,BIEFVJVNCGISQR-UHFFFAOYSA-N
rxn:4:218755:225227,CC1CCN(c2ncc(-c3cc4c(s3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n4CC#N)cc2Cl)CC1,YUGAJTFINNVQDX-UHFFFAOYSA-N
rxn:4:218755:227933,CCc1ccc(OC)cc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,ITHVMDVKBRQABS-UHFFFAOYSA-N
rxn:4:218755:228514,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cccc(C5CC5)c4)cc3n(CC#N)c2=O)CC1,HKVUTIBOYLNLMZ-UHFFFAOYSA-N
rxn:4:218775:228975,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnn(C(F)(F)F)c4)ccc32)CC1)N1CCCCCC1,SVWVRCOJIQSRBJ-UHFFFAOYSA-N
rxn:4:218815:225634,Cc1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)cnc1N1CCCCC1,ZWUSZYVJZOGMGL-UHFFFAOYSA-N
rxn:4:218877:226652,Cc1cc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)n(C2CCCCO2)n1,HEFWLNTUQIGZEH-UHFFFAOYSA-N
rxn:4:218885:222584,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,FTGKLCJPUPSLMP-UHFFFAOYSA-N
rxn:4:218919:223596,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1,IUKOWJIZLOQJKK-UHFFFAOYSA-N
rxn:4:218945:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc([N+](=O)[O-])c3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,GTJHQSBUMGKDFD-UHFFFAOYSA-N
rxn:4:218964:228340,COc1nc(C2CC2)sc1-c1cnn(CC2CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1,OXNRUDIPXNPMKU-UHFFFAOYSA-N
rxn:4:218992:226415,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccccc4N4CCOCC4)cn3)C2)CC1,IZCHROISNJTCIO-UHFFFAOYSA-N
rxn:4:219011:223635,CN(c1cnc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,YKQSVPMJFKVLGV-UHFFFAOYSA-N
rxn:4:219029:224161,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,LNERHIIGLILTHU-UHFFFAOYSA-N
rxn:4:219033:222740,CC(C)c1cc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)cc(C2CCCNC2)n1,PPQICCGJQQZBPM-UHFFFAOYSA-N
rxn:4:219033:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)c(F)c2)CC1,XDDMYRPFAKYHLB-UHFFFAOYSA-N
rxn:4:219033:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc21,UQRLFLDMABBFOX-UHFFFAOYSA-N
rxn:4:219033:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)c2)C1,MLFUKCCNFVICOE-UHFFFAOYSA-N
rxn:4:219047:223573,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,JPALONPFMMXCCA-UHFFFAOYSA-N
rxn:4:219047:225876,COc1ccc(-c2cc(Cl)ccc2N2CCOCC2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,QXWDSZUODLUKLF-UHFFFAOYSA-N
rxn:4:219051:224274,CN(c1cnc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,FBJYWJCWKKINDG-UHFFFAOYSA-N
rxn:4:219051:225294,CCN1CCN(c2ncc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,LFWYVQBVSXEOSO-UHFFFAOYSA-N
rxn:4:219051:226716,CN(c1cnc(-c2ccn(C(=O)OC(C)(C)C)n2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,MNHFTYANWFGSJN-UHFFFAOYSA-N
rxn:4:219053:223884,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c3)cn2)CC1,JOGPFLHJYZOSOS-UHFFFAOYSA-N
rxn:4:219059:223499,CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)n2)cc1,OEKXIXKZDNQCJC-UHFFFAOYSA-N
rxn:4:219061:229048,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnn5c4CCC5)cn3)C2)CC1,ACXYOWYXAJPSBR-UHFFFAOYSA-N
rxn:4:219078:229091,CC(=O)c1occc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,VMKBLMPLVLQSTD-UHFFFAOYSA-N
rxn:4:219128:225361,FC(F)(F)c1nn(C2CCCC2)cc1-c1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1,JJCLOSXKKGDIHJ-UHFFFAOYSA-N
rxn:4:219207:225763,COC(=O)c1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c(C)cc1OC,JOCSHFOWSMVSFK-UHFFFAOYSA-N
rxn:4:219244:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ncnn1C1CN(C(=O)OC(C)(C)C)C1,MJSOLOBLNFJPQO-UHFFFAOYSA-N
rxn:4:219334:222769,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)s2)CC1,IALNFVADEILTOH-UHFFFAOYSA-N
rxn:4:219334:225227,CC1CCN(c2ncc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2Cl)CC1,ZSBLKECCXJUWIT-UHFFFAOYSA-N
rxn:4:219334:225655,CC1CCN(c2cncc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,YZPGUCAAUDDIMV-UHFFFAOYSA-N
rxn:4:219370:223578,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)n2)C1,MAWDWLOMJYXKKK-UHFFFAOYSA-N
rxn:4:219370:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,ZGHLMKYMBLRCLW-UHFFFAOYSA-N
rxn:4:219371:223937,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)CC1,LTWXKUBJVVSQHR-UHFFFAOYSA-N
rxn:4:219371:224953,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(OCC3CCCCC3)nc2)CC1,CUWMUKDNYPPTCS-UHFFFAOYSA-N
rxn:4:219371:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,WDAFDBIEDLZCAT-UHFFFAOYSA-N
rxn:4:219372:225947,CN1CCN(c2ncc(-c3nn[nH]c3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,DRAVIJYWDSHBKV-UHFFFAOYSA-N
rxn:4:219373:222987,Cc1nc(C2CCNCC2)ccc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,OGJLXFKVESHZOD-UHFFFAOYSA-N
rxn:4:219374:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1Cl,CCMNNVHCEVGPIS-UHFFFAOYSA-N
rxn:4:219374:225831,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)cnc1N1CCOCC1,UHJKJWSMABTUHG-UHFFFAOYSA-N
rxn:4:219381:226619,CSc1ncc(-c2cnc(N3CCCC3)nc2C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,RXWOYAMLOOSRRO-UHFFFAOYSA-N
rxn:4:219381:226736,CSc1ncc(-c2ccc(C(F)(F)F)cc2C#N)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,YCJQZRUJBQXGHS-UHFFFAOYSA-N
rxn:4:219383:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cc2C1,LFDAJBKWFZUEIH-UHFFFAOYSA-N
rxn:4:219401:223931,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)s2)CC1,PWUXCAUPPCILLX-UHFFFAOYSA-N
rxn:4:219401:225312,CN1CCCN(c2ncc(-c3nnc(N4CCCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,UVEBPBDCVLLJOB-UHFFFAOYSA-N
rxn:4:219403:225992,CC(C)Cn1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(C(F)(F)F)n1,XSYGEFCCBCLPKX-UHFFFAOYSA-N
rxn:4:219406:222546,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,BASLMAPZRSDALQ-UHFFFAOYSA-N
rxn:4:219406:225830,Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,LNGQNEPSVBQBIV-UHFFFAOYSA-N
rxn:4:219431:224819,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1)N1CCOCC1,XUQZMAXAEWIOTN-UHFFFAOYSA-N
rxn:4:219454:225935,Cc1c(-c2cc(C(C)C)nc(C(F)(F)F)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,CVJQSZGFNLDIMB-UHFFFAOYSA-N
rxn:4:219454:225952,Cc1nc(N2CCOCC2)ncc1-c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C,HLWZSHMHBBDEAJ-UHFFFAOYSA-N
rxn:4:219454:226649,Cc1c(-c2cccnc2N2CCOCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,JKXBMAVWFVSCRJ-UHFFFAOYSA-N
rxn:4:219464:223505,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,IHYJJLYPJYFSOB-UHFFFAOYSA-N
rxn:4:219464:223885,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,FCPSFKGBODZIND-UHFFFAOYSA-N
rxn:4:219488:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1,WZXNXWDSANCSOI-KRWDZBQOSA-N
rxn:4:219489:222946,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCCC2O)nc1Cl,NMMVDBRGOGYTNA-UHFFFAOYSA-N
rxn:4:219498:228416,COc1cc(F)cc(F)c1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,RMPVOONSJUHZSJ-UHFFFAOYSA-N
rxn:4:219508:223055,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(N4CCNCC4)nc3C)CC2)cc(C(F)(F)F)n1,MBMYIRIZFXJEJV-UHFFFAOYSA-N
rxn:4:219508:223501,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)CC2)cc(C(F)(F)F)n1,RTMKSBVLWLLJGI-UHFFFAOYSA-N
rxn:4:219516:222947,CN1CC(CN2CCC(Oc3ncc(-c4cnc(N5CCCC(O)C5)nc4Cl)cn3)CC2)CC1=O,QSTYFDFSNVRMHP-UHFFFAOYSA-N
rxn:4:219530:225829,CC1CCN(c2ncc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)cn2)CC1,IOYFIZZILAHNLI-UHFFFAOYSA-N
rxn:4:219530:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,LIMQCOQFEFIISC-UHFFFAOYSA-N
rxn:4:219533:228088,CCCSc1ccc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)cn1,BIMGUVKXDWFNLT-UHFFFAOYSA-N
rxn:4:219543:222891,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(C)c4C#N)CC3)cc2)cc(C2CCNCC2)n1,VELUBUCTYWDVKT-UHFFFAOYSA-N
rxn:4:219552:229048,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnn2c1CCC2,AIKOYCCQHVCQND-UHFFFAOYSA-N
rxn:4:219565:226792,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3)CC2)n1,HHDAQYLYNIUFPI-UHFFFAOYSA-N
rxn:4:219638:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc2c(C3CCCN3C(=O)OC(C)(C)C)nnn2c1,GMSIUSOEYWTYNQ-UHFFFAOYSA-N
rxn:4:219687:223668,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(OCc5ccccc5)cc4OC(F)(F)F)cc32)CC1,ACJJKAARBKASGL-UHFFFAOYSA-N
rxn:4:219689:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)c2)CC1,AZQMMNGTHPZEOP-UHFFFAOYSA-N
rxn:4:219691:226716,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccn(C(=O)OC(C)(C)C)n4)c3n2)C1,PGMKLNXTDWYBNK-UHFFFAOYSA-N
rxn:4:219706:226716,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccn(C(=O)OC(C)(C)C)n4)c(Cl)cc23)CC1,IHUDSFUTTHFMGC-UHFFFAOYSA-N
rxn:4:219759:222948,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc2)OC3)CC1,JVCIYHARJLVBDY-UHFFFAOYSA-N
rxn:4:219817:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nc(C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n[nH]1,VOOIRGMEAVQKHP-UHFFFAOYSA-N
rxn:4:219891:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnn(CC2CN(C3CCN(C)C3=O)C2)c1,CCVDRQPANOCFBM-UHFFFAOYSA-N
rxn:4:219910:223671,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,OGLQETCZWJDTSQ-UHFFFAOYSA-N
rxn:4:219934:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)c1,BIOUZLVCTUANBN-UHFFFAOYSA-N
rxn:4:219937:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(C4CN(S(=O)(=O)c5cn(C)cn5)CCO4)n3)c2)CC1,JFGZXRULUKPQNA-UHFFFAOYSA-N
rxn:4:219955:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,OCKPIIHVGLOODZ-UHFFFAOYSA-N
rxn:4:219959:222730,CCCc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc(C2CCNCC2)n1,HLGOJJHGYGBNRI-UHFFFAOYSA-N
rxn:4:219988:223106,O=C(C1CCCN(c2ncc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)C1)N1CCOCC1,AVARDYQIXQWOQT-UHFFFAOYSA-N
rxn:4:220021:223831,CCCC(=O)N1CCn2nc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)nc2C1,RRSJHXKXRWZALP-UHFFFAOYSA-N
rxn:4:220038:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,AXZFFPOURYAXCN-UHFFFAOYSA-N
rxn:4:220040:224688,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)nc2C1,PQSHHPVDDMSZHA-UHFFFAOYSA-N
rxn:4:220041:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)c(F)c2)CC1,QYKJVZCGGCXBFQ-UHFFFAOYSA-N
rxn:4:220041:223835,Cc1cc(F)c(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCC(C)CC1,AKVBGVVUSMGBOB-UHFFFAOYSA-N
rxn:4:220041:224153,CC(C)(C)OC(=O)N1CCn2nnc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)c2C1,AXEMBFBJUWIWCM-UHFFFAOYSA-N
rxn:4:220041:224634,COc1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1CN1CCOCC1,URXPGWQALJGLKN-UHFFFAOYSA-N
rxn:4:220041:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,BFKHYTXWGNTOSJ-UHFFFAOYSA-N
rxn:4:220070:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nc2n(n1)CCCN(C(=O)OC(C)(C)C)C2,NWWXFUUZAVZKFS-UHFFFAOYSA-N
rxn:4:220161:222813,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cnc(NC(=O)OC(C)(C)C)c(Cl)c5)c(C)c4)C3C2=O)c1,ONNPSSXTGXKMPE-UHFFFAOYSA-N
rxn:4:220161:223534,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)c(C)c4)C3C2=O)c1,QFLAOPGVGSUWAN-UHFFFAOYSA-N
rxn:4:220222:224672,CCN1CCN(c2ccc(-c3ccc(C)c(C(=O)N4CCN(c5cc6c(nn5)CCC6)CC4)c3)c(Cl)c2)CC1,WHGAJAQUHLNQRO-UHFFFAOYSA-N
rxn:4:220393:223588,CC(=O)N1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cn2)CC1,AAEXYPJRSCCDTK-UHFFFAOYSA-N
rxn:4:220400:224196,CCN1CCN(Cc2cc(F)cc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)n3)c2)CC1,VUMQHFAVMYQVJH-UHFFFAOYSA-N
rxn:4:220421:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(N4CCN(c5cccc(Cl)c5)CC4)nc3)c(F)c2)CC1,NLERWIDRCBFJNJ-UHFFFAOYSA-N
rxn:4:220464:223997,Cc1cc(-c2nc3n(n2)CCN(C(=O)C2CCC2)C3)cc(C)c1S(=O)(=O)N1CCOCC1,LOAZRLFYHIZZIV-UHFFFAOYSA-N
rxn:4:220857:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1n[nH]c2nc(C(F)(F)F)nc(Cl)c12,ROAKTCCNPKKISJ-UHFFFAOYSA-N
rxn:4:220937:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2nc(N3CCOCC3)nn2c1,NMWXANRIYKLUSQ-UHFFFAOYSA-N
rxn:4:221094:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)CC1,HCQUHHHLWXKBFV-UHFFFAOYSA-N
rxn:4:221114:224327,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,UVWGGMUMHJNQEV-UHFFFAOYSA-N
rxn:4:221147:222621,CC(C)Cc1cc(-c2cnc(OCC3CCCN(c4cc(C#N)ccn4)C3)nc2)cc(C2CCCNC2)n1,AIPSNZHCHJIAPH-UHFFFAOYSA-N
rxn:4:221181:224325,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)nn1C,BCAHDBJZPXDHER-UHFFFAOYSA-N
rxn:4:221182:224658,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(N5CCN(C(C)=O)CC5)cc4)cn3)CC2)C1=O,BCQDVWYLIVVDMK-UHFFFAOYSA-N
rxn:4:221188:222588,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cn3)C2)n1,HDVDFQQOMLUJJU-UHFFFAOYSA-N
rxn:4:221203:225657,Cc1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1N1CCOCC1,LWGVBJZABBUXRS-UHFFFAOYSA-N
rxn:4:221204:222622,CCC(C)c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc(C2CCCNC2)n1,MVQCOJJZJIDONQ-UHFFFAOYSA-N
rxn:4:221204:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,SROXNNDWFNNILA-UHFFFAOYSA-N
rxn:4:221204:224727,COC(=O)c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc(OC(C)(C)C)n1,HWFHSARYQXKDRE-UHFFFAOYSA-N
rxn:4:221204:225926,O=S(=O)(c1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1)N1CCC1,CGSGETSYPVDAGK-UHFFFAOYSA-N
rxn:4:221204:225979,Clc1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cnc1N1CCOCC1,AGGDUNNIAJNESY-UHFFFAOYSA-N
rxn:4:221207:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,OUZLIURVDKQCFJ-UHFFFAOYSA-N
rxn:4:221209:224323,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)n1,ZQJFYUINVQPSFG-UHFFFAOYSA-N
rxn:4:221245:224759,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(C(=O)N6CCOCC6)c5)c4)CC3)nn2c1C,WBDFGIIDLYRING-UHFFFAOYSA-N
rxn:4:221255:223542,CCCCN(C)c1nc2c(-c3cccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)c3)nnn2c2ccccc12,XZURGSHLZCEQBF-UHFFFAOYSA-N
rxn:4:221351:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc(C(F)(F)F)c2)CC1,SCMZHBMZQIYCCM-UHFFFAOYSA-N
rxn:4:221351:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc2)C1,GXRVWOZRCFAFOG-UHFFFAOYSA-N
rxn:4:221387:223945,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)c1C,XPDMTBTULOAWOO-UHFFFAOYSA-N
rxn:4:221398:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)CC1,WXPFJNMILMMDMF-UHFFFAOYSA-N
rxn:4:221419:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2C1,CYNZFRQEKSKOBF-UHFFFAOYSA-N
rxn:4:221421:224770,Cc1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,ZUCZJDMTUQTTGG-UHFFFAOYSA-N
rxn:4:221425:223064,Fc1nc(C2CCNCC2)ccc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,VXUFAZMZCBXEFN-UHFFFAOYSA-N
rxn:4:221428:222631,CC(C)(C)c1cc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc(C2CCNCC2)n1,CTIMCPUIZHRKRD-UHFFFAOYSA-N
rxn:4:221442:225657,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(N4CCOCC4)c(C)c3)CC2)n1,QKYYDZUKXZRCFC-UHFFFAOYSA-N
rxn:4:221522:223649,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cccc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,KTHYTKWDXUDFRD-UHFFFAOYSA-N
rxn:4:221522:223885,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc6c(c5)CN(C(=O)OC(C)(C)C)CC6)cn4)CC3)cnc2c1,SEBQHNKAKJHXBD-UHFFFAOYSA-N
rxn:4:221522:224290,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(Cl)cc5OCCN5CCOCC5)cn4)CC3)cnc2c1,VDTSLUSLRPBEDH-UHFFFAOYSA-N
rxn:4:221614:223823,COCn1nc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc1N1CCCN(C)CC1,CMJZZOLLRHYOLF-UHFFFAOYSA-N
rxn:4:221642:225947,CN1CCN(c2ncc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)cn2)CC1,HSQAHXCQTYEXFP-UHFFFAOYSA-N
rxn:4:221642:226652,Cc1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)n(C2CCCCO2)n1,FGQPMMNTNYDZON-UHFFFAOYSA-N
rxn:4:221645:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,ZPIHEMWLFKRNCZ-UHFFFAOYSA-N
rxn:4:221729:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CCC(Cn5c(C)nc6ccccc6c5=O)CC4)nc3)cc21,RVBIANYAJWJEQV-UHFFFAOYSA-N
rxn:4:221730:223531,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,ZMIDIQCZMWLHOW-UHFFFAOYSA-N
rxn:4:221730:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Cn5c(C)nc6cc(F)ccc6c5=O)CC4)nc3)cc2)CC1,XPDMDELPMFNOEC-UHFFFAOYSA-N
rxn:4:221849:222584,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,QURLJMQMDDEAIC-UHFFFAOYSA-N
rxn:4:221853:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CC)c(=O)n(C)c6nc45)cc3)c2)CC1,IEWWTDADIAHJOZ-UHFFFAOYSA-N
rxn:4:221912:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(CCn5nccn5)C4)nc3)c2)CC1,UUMGTUYINQYQEG-UHFFFAOYSA-N
rxn:4:221985:222948,Cn1cc(-c2nc3cnc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NBXQEEYKYJCKNQ-LJQANCHMSA-N
rxn:4:222015:223812,Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)ncn1,SMDFGCQQWYBORJ-UHFFFAOYSA-N
rxn:4:222031:222540,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)n1,GVERVOADXKJDEA-UHFFFAOYSA-N
rxn:4:222039:224830,O=C(c1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,XSOQDAIQCPBCOR-UHFFFAOYSA-N
rxn:4:222056:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c(Cl)c1,GVHMTTJLCIEKAK-UHFFFAOYSA-N
rxn:4:222122:224588,Cc1nnc2ccc(N3CC4CN(C(=O)Cc5ccccc5-c5cc(F)cc(CN6CCC(C)CC6)c5)CC4C3)nn12,SCDXUWLKCBMZNB-UHFFFAOYSA-N
rxn:4:222125:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)cc2)CC1,OEERRMHDFHTBTH-OGESRWMOSA-N
rxn:4:222149:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(N4CCN(c5nccc(C(F)(F)F)n5)CC4)nc3)cc2C1,GMGONJJFLBNNBY-UHFFFAOYSA-N
rxn:4:222156:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCN(c4ncnc(C5CC5)c4F)CC3)nc2)CC1,NJYAOGRVBIAAJH-UHFFFAOYSA-N
rxn:4:222166:224366,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(OCC5CC5)c4)cn3)CC2)ncn1,XKVIEYFRWFBTAW-UHFFFAOYSA-N
rxn:4:222332:222621,CC(C)Cc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,IGVLTURSSGTVII-UHFFFAOYSA-N
rxn:4:222332:222890,COc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(C2CCCNC2)n1,YBALCODIJJOUNR-UHFFFAOYSA-N
rxn:4:222333:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)cc2)CC1,IPHHFMUTRPWDGX-UHFFFAOYSA-N
rxn:4:222337:223542,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cn3)CC2)n1,VRYODCQZUFNBNF-UHFFFAOYSA-N
rxn:4:222371:223489,Cc1ccn(-c2ccc(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cn4)CC3)nn2)n1,SMHZSTYSJJPVMM-UHFFFAOYSA-N
rxn:4:223540:214455,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn(CCC(C)C)n1,RVQLQLLRMRGCFB-UHFFFAOYSA-N
rxn:4:223540:214981,CCOC(=O)c1c(C)nn2cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cnc12,UYHXBPVAGPIGER-UHFFFAOYSA-N
rxn:4:223540:215605,CCc1c(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)nnn1C(C)C,YCFNDHQXQPCYJS-UHFFFAOYSA-N
rxn:4:223540:215656,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nn(C2CC2)nc1C(C)C,MNELMYPWLUONMN-UHFFFAOYSA-N
rxn:4:223540:217054,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCCS2(=O)=O)cn1,QBVCRLIEAZYWNJ-UHFFFAOYSA-N
rxn:4:223540:217420,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc2c(Cl)cc(C(F)(F)F)cn2n1,DSFFUUVDEXKNPA-UHFFFAOYSA-N
rxn:5:176859:223061:225879,COC(=O)c1cc(OC)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(N2CCOCC2)cc1F,MPKCAVGTKFFBQG-UHFFFAOYSA-N
rxn:5:176871:225809:222989,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)c(OC)cc1-c1cc(F)ccc1OC1CCOC1,ZKPQISQADBGSLH-UHFFFAOYSA-N
rxn:5:177184:225655:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cncc(N2CCC(C)CC2)c1,WVBOSYCAZYCRQK-UHFFFAOYSA-N
rxn:5:177373:225622:226710,C[Si](C)(C)c1c(F)ccc(-c2ccc(OCC3OCCO3)c(-c3ccccc3OC3CCCCO3)c2)c1F,UBLFJNISCIMTFY-UHFFFAOYSA-N
rxn:5:177449:225449:222982,COc1cc(-c2cccc(OC3CCCCC3)c2)c(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1OC(C)C,RHSBUMDLLWXXNQ-HHHXNRCGSA-N
rxn:5:177732:226664:225978,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(N3CCOCC3)nc2F)c1,MYERKRLTIKOABT-UHFFFAOYSA-N
rxn:5:177737:226794:223065,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1cnc(N2CCSCC2)nc1,IXJXENZCOCAZFD-UHFFFAOYSA-N
rxn:5:177739:226794:225976,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,WGYWBAHELCFUPW-UHFFFAOYSA-N
rxn:5:177850:222960:227102,CCOc1ccc(-c2cc(C)cc(C3CCNCC3)c2)c(C2OCCO2)c1-c1cc(C(C)(C)C)ccc1F,LCNUKIQEEKHGFG-UHFFFAOYSA-N
rxn:5:177850:223010:225809,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(F)ccc1OC1CCOC1,JXIQXXQXNPQOBU-UHFFFAOYSA-N
rxn:5:177850:223010:226590,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCOC2)nc1,UOLQRIYEZZYWBQ-UHFFFAOYSA-N
rxn:5:177850:223010:226971,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCCOC2,UBVOUEMJPCDLIL-UHFFFAOYSA-N
rxn:5:177850:225625:222994,CCOc1ccc(-c2cc(OC3CCCC3)ccc2F)c(C2OCCO2)c1-c1cccc(N2CCC(O)CC2)c1,USRQKNZQRVTWGI-UHFFFAOYSA-N
rxn:5:177851:223010:226971,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccc2c(c1)CCCOC2,LKDYNSWJHNTBNO-UHFFFAOYSA-N
rxn:5:177851:225637:227575,CCOc1c(-c2ccccc2N2CCN(C)CC2)cc(C2OCCO2)cc1-c1c(OC)ccc(OC)c1F,BLFFQBUYOJGZEC-UHFFFAOYSA-N
rxn:5:177851:226464:222994,CCOc1c(-c2cccc(N3CCC(O)CC3)c2)cc(C2OCCO2)cc1-c1c(OC)ccc2c1OCCO2,KIOHWYXMTSNBMP-UHFFFAOYSA-N
rxn:5:177851:226841:227766,CCOc1c(-c2cnc(C(F)(F)F)c(OC)c2)cc(C2OCCO2)cc1-c1cc(C(F)(F)F)nn1CC,PCSPKUWPPCASJF-UHFFFAOYSA-N
rxn:5:177891:226900:225462,CC1CCN(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)c2)CC1,DXWJTXHAKCMUBR-UHFFFAOYSA-N
rxn:5:177891:226901:226913,CCc1cc(C2CC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,BCIYCISHEQVTEU-UHFFFAOYSA-N
rxn:5:177891:226901:227027,N#CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,FCRNCJPKBNOPES-UHFFFAOYSA-N
rxn:5:177891:226901:227106,Cc1cc(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1C1CC1,OCHOAZRQACUPFG-UHFFFAOYSA-N
rxn:5:177891:227995:225597,COc1c(C)cc(C)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(OC2CCCCC2)nc1,ZLWRSHOKNJPYSV-UHFFFAOYSA-N
rxn:5:177891:228481:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccnc(C(F)(F)F)c1,ZTKGZIORNYGCHT-UHFFFAOYSA-N
rxn:5:178118:227766:226744,CCc1cc(-c2ccc(-c3cc(C(F)(F)F)nn3CC)c(OCC3CCCCO3)c2)cnc1C(F)(F)F,VCLOFVBVNZVXRC-UHFFFAOYSA-N
rxn:5:178295:227611:223378,COC(=O)C1(c2cc(-c3cnc4c(c3)NCCO4)ccc2-c2ccnn2C2CCCCO2)CCC(=O)CC1,UBBKAAIKXMMIQJ-UHFFFAOYSA-N
rxn:5:178295:228338:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2cnc(OC3CCC3)s2)CCC(=O)CC1,CFEJLELOIPXFLE-UHFFFAOYSA-N
rxn:5:178295:228653:227342,COC(=O)c1ccc(-c2ccc(-c3cnn4c3CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,JWPQPIPVQCLENO-UHFFFAOYSA-N
rxn:5:178466:225849:225833,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,ZCLOZWNGLBZWDR-UHFFFAOYSA-N
rxn:5:178467:225976:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,CCBQZISXGNUWFW-UHFFFAOYSA-N
rxn:5:178467:226084:226760,CCOC(=O)C1=Cc2cc(-c3cc(F)c(F)c(C(=O)OC)c3)cc(-c3ccc4c(c3)C(=O)CCCC4)c2OC1,DEUFOPFGADZHIL-UHFFFAOYSA-N
rxn:5:178467:226664:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,LVBJCEMRWTWMBI-UHFFFAOYSA-N
rxn:5:179840:225929:225809,Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2-c2cc(F)ccc2OC2CCOC2)ccc1S(=O)(=O)N(C)C,DEIHWZKLBVHLMH-MIHMCVIASA-N
rxn:5:180020:226686:227390,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnn2C2CCCCC2)ccc1OC1CCCC1=O,CPVMGJIHWIQLLE-UHFFFAOYSA-N
rxn:5:180021:225394:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c1OC)OCCO2,NQGOJQCHIXMNSY-UHFFFAOYSA-N
rxn:5:180021:225446:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cc(C)cc(OC4CCCC4)c3)c1OC)OCCO2,VTSIERDKZXACOU-UHFFFAOYSA-N
rxn:5:180021:225452:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(OC4C=CCCC4)cc3)c1OC)OCCO2,HJDQIPQYNCCVLB-UHFFFAOYSA-N
rxn:5:180021:225454:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(C4=CCN(C)CC4)cc3)c1OC)OCCO2,LWWMWQBPSZFLMT-UHFFFAOYSA-N
rxn:5:180021:225456:225447,COc1c(-c2ccc(OC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2CCN(C)CC2)cc1,LLUMQRIOGDTEIO-UHFFFAOYSA-N
rxn:5:180021:225514:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc4c3OCC3(CC3)CO4)c1OC)OCCO2,AREVYHXEGDCNAW-UHFFFAOYSA-N
rxn:5:180021:225581:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CCOCC4)cc3)c1OC)OCCO2,UQCQJIJZCPJROC-UHFFFAOYSA-N
rxn:5:180021:225585:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccccc3CN3CCOCC3)c1OC)OCCO2,INWMYZDTVAKQFN-UHFFFAOYSA-N
rxn:5:180021:225587:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(CN4CCOCC4)c3)c1OC)OCCO2,SGYPEGFGRTZDCS-UHFFFAOYSA-N
rxn:5:180021:225589:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CCSCC4)cc3)c1OC)OCCO2,QQMKVXOVNXPZEY-UHFFFAOYSA-N
rxn:5:180021:225598:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(CN4CCSCC4)c3)c1OC)OCCO2,SIQLUKCILSMZKL-UHFFFAOYSA-N
rxn:5:180021:226464:226583,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CCOCC4)s3)c1OC)OCCO2,OVPVWWLWNPYUNS-UHFFFAOYSA-N
rxn:5:180022:225394:226464,COc1ccc2c(c1-c1ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C3OCCO3)c1OC)OCCO2,HUSUBMZZAOBEQO-UHFFFAOYSA-N
rxn:5:180022:225436:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CCCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,GKJBDQLVKFSHEO-UHFFFAOYSA-N
rxn:5:180022:225437:226464,COc1ccc2c(c1-c1ccc(-c3cccc(CN4CCCCC4)c3)c(C3OCCO3)c1OC)OCCO2,NZKVAYJHGDXMIF-UHFFFAOYSA-N
rxn:5:180022:225446:226464,COc1ccc2c(c1-c1ccc(-c3cc(C)cc(OC4CCCC4)c3)c(C3OCCO3)c1OC)OCCO2,KFSHBOPLJSHTKX-UHFFFAOYSA-N
rxn:5:180022:225448:226464,COc1ccc2c(c1-c1ccc(-c3cc(C)ccc3OC3CCCC3)c(C3OCCO3)c1OC)OCCO2,UZBFWKMOFYHVDW-UHFFFAOYSA-N
rxn:5:180022:225452:226464,COc1ccc2c(c1-c1ccc(-c3ccc(OC4C=CCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,CCYDOLIIGLIVGJ-UHFFFAOYSA-N
rxn:5:180022:225514:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(C3OCCO3)c1OC)OCCO2,WAOQAUCIRPDAPT-UHFFFAOYSA-N
rxn:5:180022:225581:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CCOCC4)cc3)c(C3OCCO3)c1OC)OCCO2,CIPRPMRSNUASDJ-UHFFFAOYSA-N
rxn:5:180022:225585:226464,COc1ccc2c(c1-c1ccc(-c3ccccc3CN3CCOCC3)c(C3OCCO3)c1OC)OCCO2,DBYVYTQXHQOLLS-UHFFFAOYSA-N
rxn:5:180022:225587:226464,COc1ccc2c(c1-c1ccc(-c3cccc(CN4CCOCC4)c3)c(C3OCCO3)c1OC)OCCO2,BPAOTJXAACQBAM-UHFFFAOYSA-N
rxn:5:180022:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(OC)c1C1OCCO1)OCCO2,GIKIGNGOMJEOJF-UHFFFAOYSA-N
rxn:5:180022:226588:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2cc(OC3CCC3)ncc2F)c1C1OCCO1,VISFAMDDNPYJLM-UHFFFAOYSA-N
rxn:5:180095:225927:226040,Cc1c(-c2ccc(-c3cc(C(F)(F)F)ccc3N(C)C)cc2OC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],BTWIDPRQKUUZRK-UHFFFAOYSA-N
rxn:5:180096:225446:226027,Cc1cc(OC2CCCC2)cc(-c2ccc(OC3CCCC3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,GOGYEWOALRIEEI-UHFFFAOYSA-N
rxn:5:180096:225448:226027,Cc1ccc(OC2CCCC2)c(-c2ccc(OC3CCCC3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,FUQWIADBKJKBFL-UHFFFAOYSA-N
rxn:5:180096:225927:226040,Cc1c(-c2cc(-c3cc(C(F)(F)F)ccc3N(C)C)ccc2OC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HMXGRAYSIPDSRI-UHFFFAOYSA-N
rxn:5:180096:225929:225932,Cc1cc(-c2ccc(OC3CCCC3)c(-c3ccc(N(C)C)c(C(F)(F)F)c3)c2)ccc1S(=O)(=O)N(C)C,RPOUFZAFTOOTQZ-UHFFFAOYSA-N
rxn:5:180097:225448:226027,Cc1ccc(OC2CCCC2)c(-c2cc(OC3CCCC3)cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,WRLBWPDVDPOTSQ-UHFFFAOYSA-N
rxn:5:180097:225927:226040,Cc1c(-c2cc(OC3CCCC3)cc(-c3cc(C(F)(F)F)ccc3N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],SCGZKPOMORYNRE-UHFFFAOYSA-N
rxn:5:180203:226030:227803,COc1c(F)cc(-c2cc(OC3CCOCC3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2)cc1C(F)(F)F,FHWFZIWTKPOALF-UHFFFAOYSA-N
rxn:5:180297:223010:225605,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(C2(C)OCCO2)cc1-c1cc(C)cnc1OC1CCCC1,SDWSJJWWXVEXGF-UHFFFAOYSA-N
rxn:5:180297:225448:225498,COc1cc(-c2cc(C)ccc2OC2CCCC2)c(C2(C)OCCO2)cc1-c1cc(C2CCCCC2)ccc1F,OLICCWSFJVCSOH-UHFFFAOYSA-N
rxn:5:180297:225514:227203,COc1cc(-c2cccc3c2OCC2(CC2)CO3)c(C2(C)OCCO2)cc1-c1ccc2c(c1)OCCCO2,KKBCQYGHHNZDOS-UHFFFAOYSA-N
rxn:5:180297:225928:225880,COc1cc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c(C2(C)OCCO2)cc1-c1cc(C2CCOCC2)ncc1F,UKNGYPRLVBARDH-UHFFFAOYSA-N
rxn:5:180297:227203:225514,COc1cc(-c2ccc3c(c2)OCCCO3)c(C2(C)OCCO2)cc1-c1cccc2c1OCC1(CC1)CO2,GHBALWQAZOFURH-UHFFFAOYSA-N
rxn:5:180297:227350:225655,COc1cc(-c2c(OC)cc(C)cc2OC)c(C2(C)OCCO2)cc1-c1cncc(N2CCC(C)CC2)c1,RWHGQYQGSAOVAE-UHFFFAOYSA-N
rxn:5:180377:225985:225821,CC(C)c1cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)cc(C(C)C)c1-c1cccc(N2CCCS2(=O)=O)c1,BMJNSUPCNOKISR-UHFFFAOYSA-N
rxn:5:180402:222990:226901,O=C(c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1cccc(S(F)(F)(F)(F)F)c1)C1CCCCC1,GHEAKVSUAAYRGK-UHFFFAOYSA-N
rxn:5:180662:225976:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,XQPKQGUNJDUSSE-UHFFFAOYSA-N
rxn:5:180662:226763:226464,COC(=O)C1=Cc2cc(-c3c(OC)ccc4c3OCCO4)cc(-c3cc(F)c(C(=O)OC)c(F)c3)c2OC1,UJBJKVRWUXPGHV-UHFFFAOYSA-N
rxn:5:181905:225868:226026,Cc1ccc(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)c(C2OCCO2)c1-c1ccc(N2CCOCC2)c(F)c1,MPDXQUOSCLLXRM-UHFFFAOYSA-N
rxn:5:181905:226027:223056,Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(C2OCCO2)c1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,WKCJFDATEMANLT-UHFFFAOYSA-N
rxn:5:181906:225926:225927,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(C2OCCO2)c1-c1cc(C(F)(F)F)ccc1N(C)C,HRQALZUBUOCXPL-UHFFFAOYSA-N
rxn:5:182950:225832:226425,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(cc1-c1ccc(N3CCCCC3C)s1)OCCC2=O,YARQGVPFPIQIAU-UHFFFAOYSA-N
rxn:5:183190:226898:225935,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc2c1CC(C)(C)C2=O,CBXXXENKVJYUFX-UHFFFAOYSA-N
rxn:5:183216:226837:226886,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3cc(F)c(C(F)(F)F)c(F)c3)c1)OC(C)(C)CC2=O,UMMKVWXQSXSMEM-UHFFFAOYSA-N
rxn:5:188078:225832:226038,CCOC(=O)c1nc(-c2c(C)nn(C3CCCCO3)c2C)sc1-c1cc(F)c(C(F)(F)F)cc1OC,AUJNMOWZVDLJKH-UHFFFAOYSA-N
rxn:5:188461:226901:222404,COC(=O)c1cc([N+](=O)[O-])cc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccc(C2NC(=O)NC2=O)cc1,CDUZFYHUSAIEID-UHFFFAOYSA-N
rxn:5:188633:225871:225871,COC(=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cnc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,DLFVZVRILSLEGP-UHFFFAOYSA-N
rxn:5:188633:226851:225832,COC(=O)c1c(-c2cc(OC)ncc2C(F)(F)F)cnc(OC)c1-c1c(C)nn(C2CCCCO2)c1C,NLAWAHQPTMSZPT-UHFFFAOYSA-N
rxn:5:188931:225924:227073,COC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)cc(S(N)(=O)=O)c1-c1cc(OC)cc(C2CC2)c1,PUARUIYVDWBZQP-UHFFFAOYSA-N
rxn:5:188931:226837:228502,COC(=O)c1cc(-c2c(C)nn(CC(F)(F)F)c2C)cc(S(N)(=O)=O)c1-c1nn(C)cc1C(F)(F)F,MDQKDKAHFVLCQK-UHFFFAOYSA-N
rxn:5:189207:225623:229091,CC(=O)c1occc1-c1ccc(-c2cccc(OC3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,ATGHFYFHYQRKNS-UHFFFAOYSA-N
rxn:5:189207:225926:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],HUSICWJAAVGNCC-UHFFFAOYSA-N
rxn:5:189207:226186:228490,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CCOCC2)ccc1-c1cccc(S(=O)(=O)F)c1,LKTVVSIDHXUBBB-UHFFFAOYSA-N
rxn:5:189207:226415:227936,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(SC2CC2)c1,BIFZMRYYQRQALO-UHFFFAOYSA-N
rxn:5:189207:226415:228872,COC(=O)c1sccc1-c1ccc(-c2ccccc2N2CCOCC2)cc1C(=O)ON1C(=O)CCC1=O,QOROUGPNFQIYKV-UHFFFAOYSA-N
rxn:5:189207:226654:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2csc(N3CCC(C)CC3)n2)cc1C(=O)ON1C(=O)CCC1=O,BQGUKXYNRAJKGT-UHFFFAOYSA-N
rxn:5:189207:226880:228071,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(F)c(C(F)(F)F)c2)ccc1-c1cccc2c1OCCO2,XYQYTFMPCXKRBZ-UHFFFAOYSA-N
rxn:5:189207:227205:227562,COc1ccc(F)c(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1OC,GXFGUWUYEGOBSX-UHFFFAOYSA-N
rxn:5:189207:227505:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)ccc1-c1ccc(C(=O)N2CCC2)cc1,GKJTXDLHPRMXKL-SAPNQHFASA-N
rxn:5:189207:227613:227554,COC(=O)c1c(F)cccc1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,ULETUSLCDHZXKB-UHFFFAOYSA-N
rxn:5:189207:227613:228866,COCc1noc(C)c1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,BCRIOGFXHKDRCB-UHFFFAOYSA-N
rxn:5:189207:227679:226778,COc1cc(-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)c(F)c(F)c1OC,WGRAPDHVFUTACY-UHFFFAOYSA-N
rxn:5:189207:227679:227187,CN1Cc2c(cccc2-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)C1=O,HUDXAKJTZPGYFI-UHFFFAOYSA-N
rxn:5:189207:227680:223164,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1cc(F)c(F)c(NC2CC2)c1,VBELUQZNDGKIRH-UHFFFAOYSA-N
rxn:5:189207:228071:226032,COc1cc(-c2ccc(-c3cccc4c3OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c(F)c(C(F)(F)F)c1,CNNHKNGSUWXJSE-UHFFFAOYSA-N
rxn:5:189207:228071:226774,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(OC(F)=C(F)F)cc1,QJGJIKKSUGGQKW-UHFFFAOYSA-N
rxn:5:189207:228496:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cnn(CC(F)(F)F)c2)cc1C(=O)ON1C(=O)CCC1=O,VUAFFMASMJPJRF-UHFFFAOYSA-N
rxn:5:189207:228501:228199,Cc1nn(C2CCC2)cc1-c1ccc(-c2cnn(C)c2C(F)(F)F)cc1C(=O)ON1C(=O)CCC1=O,FGRFGHMOOMORSV-UHFFFAOYSA-N
rxn:5:189207:228540:225933,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2COC3)ccc1-c1cc(C2CC2)nc(C(F)(F)F)c1,QJJHJBBXGAVOGG-UHFFFAOYSA-N
rxn:5:189207:228870:226069,COC(=O)c1csc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,HJBTVBNAHAASER-UHFFFAOYSA-N
rxn:5:189208:222994:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,BEXBOEGXLQVWEF-UHFFFAOYSA-N
rxn:5:189208:225583:228866,COCc1noc(C)c1-c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,NJVWDSZEVUKTMX-UHFFFAOYSA-N
rxn:5:189208:225583:229091,CC(=O)c1occc1-c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,CGPZKUDEXQSIKT-UHFFFAOYSA-N
rxn:5:189208:225871:227927,CCC(=O)c1cccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2C(=O)ON2C(=O)CCC2=O)c1,HODCCXFDDWMCBK-UHFFFAOYSA-N
rxn:5:189208:225873:228872,COC(=O)c1sccc1-c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1C(=O)ON1C(=O)CCC1=O,OIPSLBOAHNQPIJ-UHFFFAOYSA-N
rxn:5:189208:226084:226211,CC(=O)N1CCc2cc(-c3cc(-c4ccc5c(c4)C(=O)CCCC5)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,QUBYFOQSZCGBRJ-UHFFFAOYSA-N
rxn:5:189208:226319:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)cc1-c1ccccc1C(=O)N1CCCC1,LASCAIPZZOXYHW-UHFFFAOYSA-N
rxn:5:189208:226333:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1-c1cccc(C(=O)N2CCC2)c1,TUBLDGJHEZHWED-UHFFFAOYSA-N
rxn:5:189208:226413:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,SOHYLNMFPGYAOS-UHFFFAOYSA-N
rxn:5:189208:226835:227385,Cc1nc(C(C)(C)C)ncc1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1C(=O)ON1C(=O)CCC1=O,QMPJEEQUDBJABA-UHFFFAOYSA-N
rxn:5:189208:226886:228499,Cn1nc(C(F)(F)F)cc1-c1cc(-c2cc(F)c(C(F)(F)F)c(F)c2)ccc1C(=O)ON1C(=O)CCC1=O,NQBIISXAMNJVML-UHFFFAOYSA-N
rxn:5:189208:227183:226899,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)ccc2C1=O,MFZVQNRTQVNPFJ-UHFFFAOYSA-N
rxn:5:189208:227203:226854,COc1ccc(F)c(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c1[N+](=O)[O-],SFLXRECVTUSHTE-UHFFFAOYSA-N
rxn:5:189208:227680:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1cccc(N2C(=O)C=CC2=O)c1,NHOYQHCNRAPURK-UHFFFAOYSA-N
rxn:5:189208:228064:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnc3c(c2)C(=O)CC3)cc1-c1ccccc1C1CCOCC1,ZNJNLTJYEYXGNQ-UHFFFAOYSA-N
rxn:5:189209:225407:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cccc3c2C(=O)CCC3)c1,UZWCKTNWKHXDON-UHFFFAOYSA-N
rxn:5:189209:225450:228077,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2ccc3c(c2)C(=O)OC3)c1,NEVKZROKHSJRKH-UHFFFAOYSA-N
rxn:5:189209:226415:228629,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCC3)s2)cc(-c2ccccc2N2CCOCC2)c1,VMOCPWLBHHSKJO-UHFFFAOYSA-N
rxn:5:189209:227342:227386,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCC4)c3)c2)cc1C,LQZTYUFQTLAMKZ-UHFFFAOYSA-N
rxn:5:189209:228077:225623,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(OC3CCOCC3)c2)cc(-c2ccc3c(c2)C(=O)OC3)c1,CBDMQIIHHONPJH-UHFFFAOYSA-N
rxn:5:189210:223192:227761,CNS(=O)(=O)c1cc(-c2cccc(-c3ccc(F)cc3C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)ccc1F,KWGYKQQZTOUVLT-UHFFFAOYSA-N
rxn:5:189210:223251:227667,CC(=O)c1ccc(F)c(-c2cccc(-c3ccc4c(c3)OCC(=O)N4)c2C(=O)ON2C(=O)CCC2=O)c1F,NUSWCGNCAUBUSV-UHFFFAOYSA-N
rxn:5:189210:223389:226837,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2c(C)nn(CC(F)(F)F)c2C)c1C(=O)ON1C(=O)CCC1=O,NVACDBKFSYAWQO-UHFFFAOYSA-N
rxn:5:189210:223389:227385,Cc1nc(C(C)(C)C)ncc1-c1cccc(-c2c(C)n[nH]c2C(F)(F)F)c1C(=O)ON1C(=O)CCC1=O,DKIGOHFMTRWQER-UHFFFAOYSA-N
rxn:5:189210:225616:226413,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCOCC3)c2)cccc1-c1ccccc1C(=O)N1CCCC1,GJCDJZADQJRWLE-UHFFFAOYSA-N
rxn:5:189210:225616:228894,O=C(ON1C(=O)CCC1=O)c1c(-c2ccccc2C(=O)N2CCCC2)cccc1-c1ccccc1[N+](=O)[O-],BAEDYYPIRWBAMX-UHFFFAOYSA-N
rxn:5:189210:226174:228460,COc1ncnc(OC)c1-c1cccc(-c2ccc(C3CCCCC3)nc2)c1C(=O)ON1C(=O)CCC1=O,LCFHKDXPWDMONH-UHFFFAOYSA-N
rxn:5:189210:226413:226980,O=C1CCCc2cccc(-c3cccc(-c4cccc(N5CCOCC5)c4)c3C(=O)ON3C(=O)CCC3=O)c21,JUKSYPBLMMIKRK-UHFFFAOYSA-N
rxn:5:189210:228077:226603,COC(=O)c1cc(F)c(C)c(-c2cccc(-c3ccc4c(c3)C(=O)OC4)c2C(=O)ON2C(=O)CCC2=O)c1,IIXIALMMJQVOAQ-UHFFFAOYSA-N
rxn:5:189210:228078:226155,CC(=O)c1cc(-c2cccc(-c3ccc4c(c3)COC4=O)c2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,BKJHVWNBBQPWKB-UHFFFAOYSA-N
rxn:5:189211:222990:226899,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCC(O)CC3)cc2)c1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],YVZYNDIIBXYUOH-UHFFFAOYSA-N
rxn:5:189211:225452:228552,CCOc1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(OC3C=CCCC3)cc2)c1,LOACBEWVZRTNQS-UHFFFAOYSA-N
rxn:5:189211:225616:227103,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1sccc1C1CCCCC1,BIECJTXLRYCALC-UHFFFAOYSA-N
rxn:5:189211:226084:226980,O=C1CCCCc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cccc4c3C(=O)CCC4)cc21,XXDCLQKNDOWZRJ-UHFFFAOYSA-N
rxn:5:189211:226332:228071,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCC2)c1-c1cccc2c1OCCO2,XQMUGSFTWWMBLK-UHFFFAOYSA-N
rxn:5:189211:226969:228343,COC(=O)c1sc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)CCCC3=O)cc1C,NXBZJQAGDJESJI-UHFFFAOYSA-N
rxn:5:189211:227501:223144,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc(N2CCC(O)C2)cc1,PTLPJJGPCQKCHK-UHFFFAOYSA-N
rxn:5:189211:227506:227095,O=C1CC(c2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(/C=C/[N+](=O)[O-])c3)cc2)C1,BLIFQMGNHDELCD-BUHFOSPRSA-N
rxn:5:189211:227918:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(SC3CC3)cc2)c1-c1ccc(N2CCOCC2)cc1,VNNLIWPACUXPFJ-UHFFFAOYSA-N
rxn:5:189211:228079:225584,O=C1OCc2c1cccc2-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(C(=O)N2CCCC2)cc1,JKOPNRVFFMTBIT-UHFFFAOYSA-N
rxn:5:189211:228487:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(F)c2[N+](=O)[O-])c1-c1ccc(N2CCOCC2)cc1,ZOTGMZHHUFXMOU-UHFFFAOYSA-N
rxn:5:189211:228495:225986,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccn(CC(F)(F)F)n2)c1-c1ccccc1N1CCCS1(=O)=O,LWZCHHUPLLNOLZ-UHFFFAOYSA-N
rxn:5:189211:229091:225871,CC(=O)c1occc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cccc(N2C(=O)C=CC2=O)c1,PWYHPKBHULVHSU-UHFFFAOYSA-N
rxn:5:189212:225449:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2cccc(OC3CCCCC3)c2)c1,QHCMRCYEDOJXOM-UHFFFAOYSA-N
rxn:5:189212:225616:228479,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)c(-c2ccccc2C(=O)N2CCCC2)c1,LVFSJAVWWGRPMB-UHFFFAOYSA-N
rxn:5:189212:225881:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2ccc(C3CCOCC3)nc2F)c1,OIOSEYIAQFWCIA-SDNWHVSQSA-N
rxn:5:189212:226186:226774,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OC(F)=C(F)F)cc2)c(-c2ccccc2C2CCOCC2)c1,RGKAOAYUFJBFHC-UHFFFAOYSA-N
rxn:5:189212:226415:223361,CC(=NO)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2N2CCOCC2)cc1,ISFNTBHTNFJNQP-UHFFFAOYSA-N
rxn:5:189212:226415:227918,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CC3)cc2)c(-c2ccccc2N2CCOCC2)c1,TUPKLVXBVYDCKE-UHFFFAOYSA-N
rxn:5:189212:226899:227103,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,MYZYZEQLSVIHQG-UHFFFAOYSA-N
rxn:5:189212:226966:225450,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(-c2ccc3c(c2)C(=O)CCC3)c1,AIOMDHSYFXIBSG-UHFFFAOYSA-N
rxn:5:189212:227446:228346,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3OCCO3)cc2)c(C)s1,XQGJTIRAUKQBBX-UHFFFAOYSA-N
rxn:5:189212:227505:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1,ZESKXDSANVCEJC-MDZDMXLPSA-N
rxn:5:189212:227506:227679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cccc(/C=C/[N+](=O)[O-])c2)c1,WLUJLBWJWPOLGS-ZHACJKMWSA-N
rxn:5:189212:227679:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc3c(c2)OC(F)(F)O3)c1,VCGPEOWZJBEFDZ-UHFFFAOYSA-N
rxn:5:189212:227875:226033,COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2CCCO3)cc(C(F)(F)F)c1F,CQBWCBQLQBWWKC-UHFFFAOYSA-N
rxn:5:189212:228174:226164,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCCCC3)cc2)cc1,XESDWYUXTKJGAH-UHFFFAOYSA-N
rxn:5:189212:228514:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc(C3CC3)c2)c1,AIMADAYURUPLSI-UHFFFAOYSA-N
rxn:5:189212:228629:226084,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCCC3)c(-c2ccc(C3CCC3)s2)c1,XGISRTQOZKWOFM-UHFFFAOYSA-N
rxn:5:189662:228194:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ncc(-c2c(C)nn(C(C)C)c2C)cc1OCC1CCOCC1,ABZKGIQQJJFYOU-UHFFFAOYSA-N
rxn:5:189665:226837:228100,CCCn1nc(C)c(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)cnc2OCC2CCOCC2)c1C,HRRDMFPQIVXBLH-UHFFFAOYSA-N
rxn:5:189666:226138:226028,Cc1cc(C#N)cc(C2CC2)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1ccc(C(F)(F)F)c(C#N)c1F,ACDVFWUNCZWAGA-PSGDVYKSSA-N
rxn:5:189669:227126:225810,COc1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2-c2ccc(C3CCOC3)cc2)c(C2OCCO2)c1,DAWQXFSIYXDWSX-BIZUNTBRSA-N
rxn:5:189676:228502:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(CC(=O)N2CCCC2)cc1-c1nn(C)cc1C(F)(F)F,AMDORMMVLMAJOR-UHFFFAOYSA-N
rxn:5:189718:225622:226644,O=[N+]([O-])c1cc(-c2cncc(N3CCOCC3)c2)c(-c2ccccc2OC2CCCCO2)cc1OC1CCOCC1,OYTPRWOGVGUILF-UHFFFAOYSA-N
rxn:5:189826:225986:222994,O=C(Cc1ccc(-c2cccc(N3CCC(O)CC3)c2)cc1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,BDIRNIQQNLZWDT-UHFFFAOYSA-N
rxn:5:189826:227667:226469,CC(=O)c1ccc(F)c(-c2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccc2CC(=O)N2CCOCC2)c1F,GFVMBGKSAAWWFD-UHFFFAOYSA-N
rxn:5:189827:226452:226610,CCc1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(C3OCCCO3)cc2)cc(C(F)(F)F)c1,APNNZJJOWHIPKH-UHFFFAOYSA-N
rxn:5:189827:226837:223438,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cn[nH]c1C(F)(F)F,OVGNNODORLOKBZ-UHFFFAOYSA-N
rxn:5:189829:227320:226643,COc1cccc(N(C)C)c1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(N3CCOCC3)nc2)c1OC,CPJYPFZVYSEQFW-UHFFFAOYSA-N
rxn:5:189829:227704:223146,COc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2cccc(C3CNCCO3)c2)c1OC,OINFPLAUJYKLKC-UHFFFAOYSA-N
rxn:5:189908:226835:227611,CC(C)n1nc(C(F)(F)F)cc1-c1cnc(-c2ccnn2C2CCCCO2)c(OCC2CCCCC2)c1,RWKYJMYOPUPAIA-UHFFFAOYSA-N
rxn:5:189908:227766:227610,CCn1nc(C(F)(F)F)cc1-c1cnc(-c2ccn(C3CCCCO3)n2)c(OCC2CCCCC2)c1,PUWGFHDVLPMVKY-UHFFFAOYSA-N
rxn:5:190000:226901:227048,CC(C)C(=O)c1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)cc1,AUVVBZDXKJJFLQ-UHFFFAOYSA-N
rxn:5:190000:227207:226901,O=C1CCOc2c1cccc2-c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1CC(=O)N1CCCCC1,OPQUETRPDMVWTE-UHFFFAOYSA-N
rxn:5:190127:223435:225784,COC(=O)c1ccc(-c2ccc(-c3ccc(CN4CCOCC4)nc3)c(C(=O)N3CCC(OC)CC3)c2)[nH]1,ITTRVCZLILLWMK-UHFFFAOYSA-N
rxn:5:190127:225809:227350,COc1cc(C)cc(OC)c1-c1ccc(-c2cc(F)ccc2OC2CCOC2)cc1C(=O)N1CCC(OC)CC1,SIDFBOLFLSCBAC-UHFFFAOYSA-N
rxn:5:190127:228269:225618,COc1cc(-c2ccc(-c3cccc(OC4CCCCO4)c3)c(C(=O)N3CCC(OC)CC3)c2)c(F)cc1C,SGAYNCOAAMHNEQ-UHFFFAOYSA-N
rxn:5:190128:228242:226649,COc1cc(F)c(C)cc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1cccnc1N1CCOCC1,VYSKAPMPSMBGPX-UHFFFAOYSA-N
rxn:5:190132:227587:222988,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cc(C)nc(C4CCNCC4)c3)c2)cc(F)c1OC,MGIUEXJVBMLTLP-UHFFFAOYSA-N
rxn:5:190132:228617:225982,COc1cccc(C)c1-c1ccc(C(=O)N2CCC(OC)CC2)c(-c2cnc(N3CCOCC3)cc2F)c1,RPMXLISDSSVPPY-UHFFFAOYSA-N
rxn:5:190194:222998:227348,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(F)cc(C3CCCNC3)c2)c(C)c1OC,HURRONYDFBUCKC-UHFFFAOYSA-N
rxn:5:190194:226600:226968,CCOc1c(F)c(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc3c(c2)OC(C)(C)C3)c1F,NEGOXHYULQVMDI-UHFFFAOYSA-N
rxn:5:190194:227767:227320,CCn1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2c(OC)cccc2N(C)C)c(C(F)(F)F)n1,FDCNFEOKYXDJRN-UHFFFAOYSA-N
rxn:5:190195:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,SETTWTWCNJHMDG-UHFFFAOYSA-N
rxn:5:190195:225980:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3cc(N4CCOCC4)ncc3F)c2)CC1,IRQGTDRYAQRAGJ-UHFFFAOYSA-N
rxn:5:190197:225577:227362,CCOc1cc(C)cc(F)c1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCCC3)cc2C#N)c1,OEVPEUMOTXOCTR-UHFFFAOYSA-N
rxn:5:190197:225803:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,ZSCCJUVARFKRIN-UHFFFAOYSA-N
rxn:5:190200:226778:227654,COc1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4OCCO4)nc3)c2)c(F)c(F)c1OC,LZXCHJJEEXXHSK-UHFFFAOYSA-N
rxn:5:190200:227816:226048,CCCc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3c(F)ccc(F)c3OC(F)(F)F)c2)c(C)c1,VTJOWVYVBMPCCG-UHFFFAOYSA-N
rxn:5:190201:223010:227566,COc1ccc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2CCN2CCOC(C)C2)c(OC)c1F,MKQPQNVOTIIFQX-UHFFFAOYSA-N
rxn:5:190201:228411:225407,COc1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(CCN3CCOC(C)C3)c2)c(F)c1F,VZZRQJISTOLPCY-UHFFFAOYSA-N
rxn:5:190264:226137:227353,COc1cc(C)c(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2cc(C3CC3)cnc2C(C)C)c(OC)c1,GCDQJKWVDNGIKS-UHFFFAOYSA-N
rxn:5:190299:223284:227683,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C#N)cc3[N+](=O)[O-])cc2)C1=O,TWQYTIVYGDRJMJ-UHFFFAOYSA-N
rxn:5:190299:226854:223388,COc1ccc(-c2c(F)ccc(OC)c2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2)C1=O,DRTNMEZCAJXCDQ-UHFFFAOYSA-N
rxn:5:190336:226971:227935,CCc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc4c(c3)CCCOC4)c2OC)ccc1OC,HUQOHOSPOHHZRK-UHFFFAOYSA-N
rxn:5:190336:228181:225439,COCc1cc(F)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccc(C(C)N3CCCC3)c2)c1OC,PFNFJSRMZSUWTF-UHFFFAOYSA-N
rxn:5:190484:226901:228236,O=C(c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2ccnc(F)c2C2CC2)S(=O)(=O)CC1,UYZLSSCQUYZMFN-UHFFFAOYSA-N
rxn:5:190740:225833:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCOCC2)c1F,VRVICEGAXLGYMR-UHFFFAOYSA-N
rxn:5:190741:223064:225784,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,RXDGHFGXPQTDPW-UHFFFAOYSA-N
rxn:5:190741:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,LPJDMTAHVNCSKT-UHFFFAOYSA-N
rxn:5:190742:225633:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1cnc(N2CCCCC2)cc1F,DIBHAWPLOZHDLL-UHFFFAOYSA-N
rxn:5:190742:226571:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,XNLGXKVYQQLWIZ-UHFFFAOYSA-N
rxn:5:190743:223056:225655,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cncc(N2CCC(C)CC2)c1,HIMHECCCIDGRJD-UHFFFAOYSA-N
rxn:5:190744:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,OORBQSKGFZOIES-UHFFFAOYSA-N
rxn:5:190832:226679:225833,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCC4)cc3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,KABKRYZSQKYFLT-UHFFFAOYSA-N
rxn:5:190833:226900:229049,CC(C)(C)OC(=O)N1Cc2c(-c3cnc4n3CCC4)ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c2C1=O,KFGYWKGAWDMXNB-UHFFFAOYSA-N
rxn:5:191026:228100:223343,CCCn1nc(C)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc5c(c4)NC(=O)C5)c2)C=C(C(=O)OC)S3(=O)=O)c1C,ZIMKQGDGNIRHTJ-UHFFFAOYSA-N
rxn:5:191049:225589:226884,COc1cc(N2Cc3cc(-c4ccc(CN5CCSCC5)cc4)ccc3OCC2=O)c(OC)cc1-c1c(F)cc(C(F)(F)F)cc1F,FCJWTTKJYGGSFG-UHFFFAOYSA-N
rxn:5:191049:226395:227376,COc1cc(N2Cc3cc(-c4cncc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cncc(N2CCCC2)c1,XJQIVRBYDRNTBB-UHFFFAOYSA-N
rxn:5:191049:227828:226346,COc1cc(N2Cc3cc(-c4cccc(C5CC5)c4C)ccc3OCC2=O)c(OC)cc1-c1cc(C)cc(OC(C)C)c1F,ZMRMQXUANUDYLZ-UHFFFAOYSA-N
rxn:5:191767:226652:225832,COc1ccc(-c2cc(C)nn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1[N+](=O)[O-],CTVBRVKMEZCUEX-UHFFFAOYSA-N
rxn:5:191945:225640:225868,CC(=O)c1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-],BVSIBJSGQQWOEH-UHFFFAOYSA-N
rxn:5:192074:225832:226046,CCS(=O)(=O)c1cnc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,SOURXNMFGKYZHL-UHFFFAOYSA-N
rxn:5:192236:225683:226037,COc1cc(-c2ccc(C(F)(F)F)c(OC)c2F)c(S(N)(=O)=O)cc1-c1ccc(C2CCCOC2)nc1C,HAFVWDDTJGATMB-UHFFFAOYSA-N
rxn:5:192236:225927:222980,COc1cc(-c2ccc(CN3CCNCC3)cc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,MZCVHGSGBAEYSY-UHFFFAOYSA-N
rxn:5:192236:225927:225407,COc1cc(-c2ccc(C3CCCCCC3)cc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,LPMVXMKBADJFFF-UHFFFAOYSA-N
rxn:5:193053:222990:226901,O=C(c1cc(-c2ccc(N3CCC(O)CC3)cc2)cc(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CCCC1,KGADIQGJDWPESB-UHFFFAOYSA-N
rxn:5:193226:223006:223061,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,DZVRHCFMRLZLCC-UHFFFAOYSA-N
rxn:5:193227:226583:223006,O=C(c1cc(-c2ccc(F)c(C3CCNCC3)c2)cc(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,UOSDBUZPBMDVAT-UHFFFAOYSA-N
rxn:5:193229:225655:223061,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3cc(C4CCNCC4)ncc3F)c2)CC1,LJGNXBBOHHMEMC-UHFFFAOYSA-N
rxn:5:193230:225833:223061,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,CSCMSAZQCMNJLX-UHFFFAOYSA-N
rxn:5:193329:225928:225806,Cc1ccc(-c2ccnc(OC3CCCCC3)c2-c2cnc(OC3CCCC3)cc2F)cc1S(=O)(=O)N(C)C,WPBRUXWRWYQPOM-UHFFFAOYSA-N
rxn:5:193332:225514:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,PCLLFLVAUCHPRV-UHFFFAOYSA-N
rxn:5:193338:225514:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,HGKWJAIFVHXQGY-UHFFFAOYSA-N
rxn:5:193382:226777:225621,Cc1cc(-c2cc(-c3cc(C)c(F)c(OC(F)F)c3)ccc2S(=O)(=O)N2CCOCC2)ccc1OC1CCOC1,ZDWPRHFVJRNHQJ-UHFFFAOYSA-N
rxn:5:193382:228491:225926,Cn1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)c(=O)n(C)c1=O,INWQYTWVKCDENI-UHFFFAOYSA-N
rxn:5:193382:228501:227390,Cn1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnn3C3CCCCC3)c2)c1C(F)(F)F,MCAFZNIZKGKIMA-UHFFFAOYSA-N
rxn:5:193461:226901:226415,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccccc1N1CCOCC1)N1CCCCC1,LFUPTRVCBVNTDH-UHFFFAOYSA-N
rxn:5:193462:226901:225438,CC(c1ccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2CN2CCC(=O)CC2)cc1)N1CCCC1,FRQZLZNCBYIXJR-UHFFFAOYSA-N
rxn:5:193465:222405:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cccc(C2NC(=O)NC2=O)c1,URUHUTHXRRWECB-FXIRQEPWSA-N
rxn:5:193465:225816:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cc(C2CC2)ccc1C(F)(F)F,ZTKZOOUHRXPQTM-KRWDZBQOSA-N
rxn:5:193465:225816:226969,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)CCCC3=O)c1-c1cc(C2CC2)ccc1C(F)(F)F,DTJAPFJSQVAWTG-IBGZPJMESA-N
rxn:5:193465:226041:227095,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CC(=O)C3)cc2)c1-c1c([N+](=O)[O-])cccc1C(F)(F)F,PASYPOMDFAHYOV-KRWDZBQOSA-N
rxn:5:193465:226042:226415,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,XDJAKIOEFDCISI-IBGZPJMESA-N
rxn:5:193465:226053:227207,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2OCCC3=O)c1-c1ccc(F)c(OC(F)(F)F)c1F,KXFWLCDPYWBFEH-HNNXBMFYSA-N
rxn:5:193466:225462:226901,CC1CCN(c2cccc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)ccc3C(=O)N3CCC[C@H]3C)c2)CC1,SYDBRGABSQVLIU-JOCHJYFZSA-N
rxn:5:193466:225871:226966,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1-c1cccc(N2C(=O)C=CC2=O)c1,MAHLZHWKMPAJDV-HXUWFJFHSA-N
rxn:5:193466:226053:227207,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc3c2OCCC3=O)cc1-c1ccc(F)c(OC(F)(F)F)c1F,RCRCWKSUZSMNCQ-OAHLLOKOSA-N
rxn:5:193467:225985:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,ROAZWNIVBJPMHK-IBGZPJMESA-N
rxn:5:193467:225986:226882,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)c(F)c2F)ccc1-c1ccccc1N1CCCS1(=O)=O,SGMZHOKPKHZQAJ-KRWDZBQOSA-N
rxn:5:193467:226069:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cccc(C2CCCCC2)c1,MUYHOPRWXXMIOP-NRFANRHFSA-N
rxn:5:193467:226140:225639,COc1ccc(C(C)(C)C)cc1-c1ccc(-c2cccnc2N2CCC(C)CC2)cc1C(=O)N1CCC[C@@H]1C,MDSUOXMWNYYZKA-DEOSSOPVSA-N
rxn:5:193467:226742:226064,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc(C#N)cc1C(F)(F)F,PWHLUNGGZNFGGP-NRFANRHFSA-N
rxn:5:193467:227745:225616,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1ccc(C(F)(F)F)c(F)c1,ULJSLNPRCRRRBD-IBGZPJMESA-N
rxn:5:193468:222981:227552,C[C@H]1CCCN1C(=O)c1c(-c2ccnc(NC3CCCCC3)c2)cccc1-c1ccccc1CC(F)(F)F,LEQSTLYNLMTYBV-NRFANRHFSA-N
rxn:5:193468:222983:226901,C[C@H]1CCCN1C(=O)c1c(-c2cccc(CN3CCC(O)C3)c2)cccc1-c1cccc(S(F)(F)(F)(F)F)c1,HHIUJVXGLBDBGL-QHELBMECSA-N
rxn:5:193468:223145:226895,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCC(=O)N3)cc2)cccc1-c1cc(F)c(C(F)(F)F)cc1F,XPNJEIHIGIAWOA-YPHZTSLFSA-N
rxn:5:193468:225584:227778,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1cc(F)cc(F)c1[N+](=O)[O-],MEWASAALMRWDBA-SFHVURJKSA-N
rxn:5:193468:226041:226919,C[C@H]1CCCN1C(=O)c1c(-c2cccc(C3CCCC3)c2)cccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,QXEWRGPKIWBTSZ-IBGZPJMESA-N
rxn:5:193468:226042:227108,C[C@H]1CCCN1C(=O)c1c(-c2cc(C3CCC3)ccc2F)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,LVXQMUGIXRDKOE-KRWDZBQOSA-N
rxn:5:193469:225584:227758,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1cc(F)ccc1C(F)(F)F,IGPVYKKPUQKAIN-LJQANCHMSA-N
rxn:5:193469:226084:226826,Cc1cc(-c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2C(=O)N2CCC[C@H]2C)c(F)c(C(F)(F)F)c1,DQAUHOIEXWJDFS-LJQANCHMSA-N
rxn:5:193506:223294:228501,Cn1ncc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,SJVSHHGMAIOQGQ-UHFFFAOYSA-N
rxn:5:193506:226186:228149,COC(=O)c1ccccc1-c1cc(-c2ccccc2C2CCOCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,ZMODWTGWJUPTEC-UHFFFAOYSA-N
rxn:5:193506:226186:228150,COC(=O)c1ccc(-c2cc(-c3ccccc3C3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,GZHPAHQMINZAMJ-UHFFFAOYSA-N
rxn:5:193506:226186:228501,Cn1ncc(-c2cc(-c3ccccc3C3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,GJVFUDDSLFNJCM-UHFFFAOYSA-N
rxn:5:193506:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,DLRIQJYOBQQDGW-UHFFFAOYSA-N
rxn:5:193506:226901:228200,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2ccnn2C2CCCC2)CC1,PIBKBWAVRCNAJG-UHFFFAOYSA-N
rxn:5:193506:227203:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,OVYAKWGCJZNRGX-UHFFFAOYSA-N
rxn:5:193506:227767:226980,CCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc4c3C(=O)CCC4)c2)c(C(F)(F)F)n1,RZQAPIRMOKVSDJ-UHFFFAOYSA-N
rxn:5:193506:228496:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3cnn(CC(F)(F)F)c3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,QYOALLSVSQMAFU-UHFFFAOYSA-N
rxn:5:193506:228529:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2ccc3c(c2)CCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,HAOCCPGXOMMRIL-UHFFFAOYSA-N
rxn:5:193506:229048:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn3c2CCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,HCFXFYBZSUXHFD-UHFFFAOYSA-N
rxn:5:193541:225810:225507,COC(=O)C1CCc2cc(-c3cc(CN4CCCCC4)cc(-c4ccc(OC)cc4C4OCCO4)c3)ccc21,CLUOJNWQZKLCHK-UHFFFAOYSA-N
rxn:5:193598:226046:227350,COc1cc(C)cc(OC)c1-c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1C(=O)N1CCOC(C)C1,SBBPSKZSDHHHDS-UHFFFAOYSA-N
rxn:5:193653:225817:225454,CN1CC=C(c2ccc(-c3ccc(C4=NC(=Cc5ccc(-c6ccc(C(F)(F)F)c(C7CC7)c6)cc5)C(=O)O4)cc3)cc2)CC1,TZSGDOFWRHJNCY-UHFFFAOYSA-N
rxn:5:193681:225932:225445,CN1CCC(Oc2cc(-c3ccc(N(C)C)c(C(F)(F)F)c3)ccc2-c2ccccc2OC2CCCCC2)CC1,KRNLLSYGZZPIJH-UHFFFAOYSA-N
rxn:5:193711:226900:226901,O=C1C(=Cc2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)SC(=S)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,KQOVWMHLCUGHCB-UHFFFAOYSA-N
rxn:5:193749:227749:226900,CC1CCCCN1C(=O)c1cc(-c2cc(F)cc(C(F)(F)F)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,AOARDADURVMJHZ-UHFFFAOYSA-N
rxn:5:193752:227679:226739,CC(=O)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-],GVEXOFPAJOYUKT-UHFFFAOYSA-N
rxn:5:193755:227559:225456,Cc1ccc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2ccc(C3CCN(C)CC3)cc2)cc1OC(F)F,BTKSUOJPPVEFAY-UHFFFAOYSA-N
rxn:5:193756:226901:227752,CC1CCCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(C(F)(F)F)cc1F,IBQDENSFRVIDEI-UHFFFAOYSA-N
rxn:5:193809:226427:225820,CC1CCN(Cc2ccc(-c3cc(N4CCC(C)CC4)cs3)cc2-c2c(C3CC3)cccc2C(F)(F)F)CC1,QHFPJBNNRNNSJD-UHFFFAOYSA-N
rxn:5:193868:227076:227735,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(C)c(C(F)(F)F)c3)c(C(=O)N3CC(C)OC(C)C3)c2)c1,CZZCFNNBLIPEDA-UHFFFAOYSA-N
rxn:5:193869:227766:228460,CCn1nc(C(F)(F)F)cc1-c1cc(C)c(-c2c(OC)ncnc2OC)cc1S(=O)(=O)N1CCCCC1,ZSGVVDWKZOXHBY-UHFFFAOYSA-N
rxn:5:193869:228357:227767,CCn1cc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3c(C)nc(OC)nc3C)cc2C)c(C(F)(F)F)n1,MANRYONOANBTSB-UHFFFAOYSA-N
rxn:5:193870:222988:228869,COC(=O)c1cc(-c2cc(-c3cc(C)nc(C4CCNCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cs1,OHVASAZRIRTUJV-UHFFFAOYSA-N
rxn:5:193870:223389:228497,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnn2CC(F)(F)F)cc1-c1c(C)n[nH]c1C(F)(F)F,NXYZMHXAQDDDOX-UHFFFAOYSA-N
rxn:5:193870:228498:226836,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1-c1cn(C)nc1C(F)(F)F,WFNDIZZGFGSZQB-UHFFFAOYSA-N
rxn:5:193932:226901:227811,CC(C)Cc1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,SRQAWBUWSPSNBO-UHFFFAOYSA-N
rxn:5:193967:222991:228787,COc1cc(F)cc(-c2cc(-c3ccc(N4CCCC(O)C4)cc3)ccc2CN2CCC3(CC2)OCCO3)c1,AMPIUSDBOZECFZ-UHFFFAOYSA-N
rxn:5:193967:226464:223397,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCN4)c1)OCCO2,ZNESYQZEIRGMJU-UHFFFAOYSA-N
rxn:5:193967:227667:223013,COC(=O)c1ccc2cc(-c3cc(-c4c(F)ccc(C(C)=O)c4F)ccc3CN3CCC4(CC3)OCCO4)[nH]c2c1,CZALSPARYOADKO-UHFFFAOYSA-N
rxn:5:193967:228653:227038,COc1ccc(C(C)C)cc1-c1cc(-c2cnn3c2CCCC3)ccc1CN1CCC2(CC1)OCCO2,QXIZSNGZQKMYFU-UHFFFAOYSA-N
rxn:5:193967:229049:226744,CCc1cc(-c2cc(-c3cnc4n3CCC4)ccc2CN2CCC3(CC2)OCCO3)cnc1C(F)(F)F,HXBYNKXLKFSVFJ-UHFFFAOYSA-N
rxn:5:193968:223396:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)NCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,GYCLGMWTRPVKOH-UHFFFAOYSA-N
rxn:5:193968:226452:226710,C[Si](C)(C)c1c(F)ccc(-c2ccc(-c3ccc(C4OCCCO4)cc3)cc2CN2CCC3(CC2)OCCO3)c1F,CVMCUHDNXZBODZ-UHFFFAOYSA-N
rxn:5:193968:228148:225810,COc1ccc(-c2ccc(-c3cccc(OC)c3OC)cc2CN2CCC3(CC2)OCCO3)c(C2OCCO2)c1,CXKHDAIAEAIQLE-UHFFFAOYSA-N
rxn:5:193968:228327:225671,COc1cc(-c2ccc(-c3cc(C4CCCCC4)ncc3F)c(CN3CCC4(CC3)OCCO4)c2)cnc1OC,JLZPSICFSYIZRB-UHFFFAOYSA-N
rxn:5:193968:228502:228458,CSc1ncc(-c2ccc(-c3nn(C)cc3C(F)(F)F)cc2CN2CCC3(CC2)OCCO3)c(SC)n1,NPTZWZURYRHSNW-UHFFFAOYSA-N
rxn:5:193968:228867:226837,CCc1nc(OC)c(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)c(CN3CCC4(CC3)OCCO4)c2)s1,IDHKHWCNXJSQGO-UHFFFAOYSA-N
rxn:5:193972:223283:228202,CNc1ccc(-c2cc(C)c(-c3ccc(F)c(N(C)C)c3)cc2S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-],HEKPQDZSJGFSBK-UHFFFAOYSA-N
rxn:5:193972:225832:223461,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn[nH]c1C,COUFMSXYPNIOGA-UHFFFAOYSA-N
rxn:5:193972:227626:223389,Cc1cc(-c2cnc(C3CCOC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,INJBPTOCDOHHEV-UHFFFAOYSA-N
rxn:5:193972:228908:226382,COc1cc(-c2cc(C)c(-c3cnc(C4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c(F)cn1,PGBUBJCUPOAVHQ-UHFFFAOYSA-N
rxn:5:194522:226837:226054,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc2c(c1-c1cnc(C(F)(F)C(F)(F)F)nc1)CCN2CC(C)C,MPHXOWUPMIBEQH-UHFFFAOYSA-N
rxn:5:194561:226900:227750,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cccc(F)c1C(F)(F)F)N1C2CCC1COC2,MWGNJUSCDCMYKE-UHFFFAOYSA-N
rxn:5:194561:226900:227815,CCC(C)c1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1COC2,AHLWTQVISAASFG-UHFFFAOYSA-N
rxn:5:194733:226900:229004,CSc1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,RPZVBKYIYQWEDZ-UHFFFAOYSA-N
rxn:5:194733:226901:228241,CC(=O)c1cc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)ccc1F,MGUZZBVKPNTFNF-UHFFFAOYSA-N
rxn:5:194733:227875:226901,O=C(c1cc(-c2cccc3c2CCCO3)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,FTAFKYSHBHSOBU-UHFFFAOYSA-N
rxn:5:194733:227895:227663,Cc1ccc(-c2ccc(-c3ccc(C=CC#N)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1C(F)(F)F,LWJRJJVBXWJXRO-UHFFFAOYSA-N
rxn:5:194733:228081:226900,O=C(c1cc(-c2csc3ccc(F)cc23)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,DZVBMFVCWYJHME-UHFFFAOYSA-N
rxn:5:194733:229217:226901,O=C(c1cc(-c2ccc(F)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,JEOCNMMXRXTOLW-UHFFFAOYSA-N
rxn:5:194733:229291:226901,Cc1csc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,XZMSNRJQOOIXCH-UHFFFAOYSA-N
rxn:5:194767:225980:225834,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3cc(N4CCCCC4)ncc3F)C2)c2ccccc21,LBLFSAKRQFGQFL-UHFFFAOYSA-N
rxn:5:194767:226794:225834,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCSCC5)nc4)ccc3-c3cc(N4CCCCC4)ncc3F)C2)c2ccccc21,LVHMLJJMMIJZCN-UHFFFAOYSA-N
rxn:5:194782:229088:227764,CC(=O)c1csc(-c2ccc(-c3cc(F)c(C(F)F)c(F)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,ZPUYGBMJBCPDJC-UHFFFAOYSA-N
rxn:5:194791:225622:227969,Cc1nccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccccc5OC5CCCCO5)C(=O)C34)cc2)c1C1CC1,ABASEHGSULPMIF-UHFFFAOYSA-N
rxn:5:194791:228993:223014,COC(=O)c1cccc2[nH]c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6ccc(C#N)cc6)C(=O)C45)cc3)cc12,AEWLMJRXIWZLHL-UHFFFAOYSA-N
rxn:5:194792:226886:223451,O=C1C2C(c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2ccccc2)cc1,IXSCCPMHNOINSY-UHFFFAOYSA-N
rxn:5:196408:225611:225930,COc1cc(N2CCCC2)ccc1-c1cc(-c2cc(C)ccc2S(=O)(=O)N(C)C)ccc1C1=NOCCO1,VEGZZQMADGIBGA-UHFFFAOYSA-N
rxn:5:196408:225611:226027,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc1C1=NOCCO1,KCFZKTGAEQPBKE-UHFFFAOYSA-N
rxn:5:196408:226026:225448,Cc1ccc(OC2CCCC2)c(-c2ccc(C3=NOCCO3)c(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)c2)c1,MBWDALCEPZCIAE-UHFFFAOYSA-N
rxn:5:196408:226027:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(C3=NOCCO3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,CPSONDRRQPUVQC-UHFFFAOYSA-N
rxn:5:196408:226027:225448,Cc1ccc(OC2CCCC2)c(-c2ccc(C3=NOCCO3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,WKPZEWUYRPOGSD-UHFFFAOYSA-N
rxn:5:196408:226027:225621,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)ccc1OC1CCOC1,GETZZQVESUVTAX-UHFFFAOYSA-N
rxn:5:196408:226027:225810,COc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c(C2OCCO2)c1,GBEJHVQVMKJMTF-UHFFFAOYSA-N
rxn:5:196533:226047:226901,O=C1CC(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1c1ccc(-c2ccc(OC(F)(F)F)c(F)c2F)cc1,YKFBXTQAAUWSHX-UHFFFAOYSA-N
rxn:5:196620:226686:226835,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1N1CCCC1=O,ZAGNGFOOMZYGHF-UHFFFAOYSA-N
rxn:5:196790:226686:226665,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C3CCCOC3)nc2)ccc1N1CCOCC1=O,DTECPNPJIMTQRQ-UHFFFAOYSA-N
rxn:5:196791:227611:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2ccnn2C2CCCCO2)cccc1N1CCOCC1=O,SSAUPVBAWWUDDM-UHFFFAOYSA-N
rxn:5:196792:225450:226411,O=C(c1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3)cc2N2CCOCC2=O)cc1)C1CCCC1,ZGBWYNKIWHEDCT-UHFFFAOYSA-N
rxn:5:196792:225616:225926,O=C(c1ccccc1-c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1N1CCOCC1=O)N1CCCC1,DDLSJFHNGXMEOL-UHFFFAOYSA-N
rxn:5:196916:226736:226054,N#Cc1cc(C(F)(F)F)ccc1-c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc1N1CCCCC1=O,KLABDBDQDRJBNE-UHFFFAOYSA-N
rxn:5:196918:222992:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2ccc(N3CCCCC3O)cc2)cccc1N1CCCCC1=O,ANYNUUMDLNZWEB-UHFFFAOYSA-N
rxn:5:196922:225438:226900,CC(c1ccc(-c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc(N3CCCCC3=O)c2)cc1)N1CCCC1,FKBICQPCYYGIJM-UHFFFAOYSA-N
rxn:5:196922:226652:226424,Cc1cc(-c2cc(-c3cc(N4CCCC(C)C4)cs3)cc(N3CCCCC3=O)c2)n(C2CCCCO2)n1,YZKRXAYYAAYMHO-UHFFFAOYSA-N
rxn:5:196923:226900:226330,CC(c1ccc(-c2cc(N3CCCCC3=O)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)s1)N1CCCC1,OVGIRMASJOFVER-UHFFFAOYSA-N
rxn:5:197526:226084:226028,CC(=O)N1CC(=O)c2c1ccc(-c1ccc3c(c1)C(=O)CCCC3)c2-c1ccc(C(F)(F)F)c(C#N)c1F,QYZJRACIXXFQJE-UHFFFAOYSA-N
rxn:5:197526:226901:222991,CC(=O)N1CC(=O)c2c1ccc(-c1cccc(S(F)(F)(F)(F)F)c1)c2-c1ccc(N2CCCC(O)C2)cc1,POPVFWFKUFKZHD-UHFFFAOYSA-N
rxn:5:197876:223389:225832,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1c(C)nn(C3CCCCO3)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,SQQVEDXIQIBWMX-UHFFFAOYSA-N
rxn:5:197876:226835:228500,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cnc(C(F)(F)F)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,GWTSYMXVBGULIK-UHFFFAOYSA-N
rxn:5:197876:226887:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3ccc(F)c(C(F)(F)F)c3F)cc2S1(=O)=O,PDHJJAMJETYKNS-UHFFFAOYSA-N
rxn:5:197876:227084:226836,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cn(C(C)C)nc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,QJRWBMDZAIDMLD-UHFFFAOYSA-N
rxn:5:199278:225942:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnc(C(C)C)c(C(F)(F)F)c2)cc2c1N(C)C(=O)CC2,LEAHTWGJVFYPNF-UHFFFAOYSA-N
rxn:4:173283:223696,CCOC(=S)SCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,NCUDFEPYKITEAY-UHFFFAOYSA-N
rxn:4:173367:223712,C#Cc1cc(F)c(OC(CC)C(=O)OC)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,OGAMMNOHYJVLEO-UHFFFAOYSA-N
rxn:4:173560:223503,COC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,TWMRHJMEEMPIAD-UHFFFAOYSA-N
rxn:4:173798:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OCC(F)(F)F)c(F)cc3C(=O)OC)ccc2OC)CC1,JSGQPEOPIMFJED-UHFFFAOYSA-N
rxn:4:173917:223712,COC(=O)CC(=O)c1c(OC)cccc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,XRWNJADYQDVWAG-UHFFFAOYSA-N
rxn:4:174004:223504,CCOC(=O)c1cc(OCC)c(F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,SPINQCYCBWPZBX-UHFFFAOYSA-N
rxn:4:174004:223904,CCOC(=O)c1cc(OCC)c(F)cc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,UVARTUPBUNKMTI-UHFFFAOYSA-N
rxn:4:174057:223712,CCOC(=O)c1c(OC)ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1OC,RRTVQSUPNZSULW-UHFFFAOYSA-N
rxn:4:174149:223526,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,ZKNVGMCZHUXOLI-UHFFFAOYSA-N
rxn:4:174149:223883,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,VDLZQJPUINHKON-UHFFFAOYSA-N
rxn:4:174152:222396,COC(=O)C(C)(C)COc1ccc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c(F)c1,COMRGQIWOZEHQZ-UHFFFAOYSA-N
rxn:4:174152:223832,COC(=O)C(C)(C)COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c(F)c1,OHDBHRZGYDLQHV-UHFFFAOYSA-N
rxn:4:174257:223970,COC(=O)c1ccc(OCC2CCCO2)c(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,DXKXVOVQJOZZMR-UHFFFAOYSA-N
rxn:4:174663:223379,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3[nH]c(=O)oc3c2)cc1,KVDGPXSUBMUCSL-HHMMATJQSA-N
rxn:4:174663:224135,COC(=O)c1ccc(-c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2)cc1,OULCZIZYJDGVCU-ADBKYNIVSA-N
rxn:4:174663:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,WCTNGXKGMISNBY-FQEXLZSCSA-N
rxn:4:174663:227161,Cc1c2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccc2nn1C,VXAVIFMVUAKYPA-FQEXLZSCSA-N
rxn:4:174663:227525,CCc1cnc(C(F)F)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,SOPSTORXIXGIDD-YWDCHRJXSA-N
rxn:4:174663:228531,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3c2CCO3)cc1,IUHKUSKIRPKTSA-OUYRWIGOSA-N
rxn:4:174663:228798,CSc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,MUVSYKBADTVVGN-QQXXBIGFSA-N
rxn:4:174663:228846,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc(F)c1F,WBIOBWLHOZNBGZ-QQXXBIGFSA-N
rxn:4:174663:228938,Cc1cnc(Cl)c(F)c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,OYUGUBWXTPWQQE-BUVPBVQTSA-N
rxn:4:174663:229131,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1,ROBJHNCTTYIHII-IJSUORRQSA-N
rxn:4:175066:223597,CCOc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc(F)c1C(=O)OC,HIJSYKQIGVHGES-UHFFFAOYSA-N
rxn:4:175089:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)cc12,YMSVBOFTHDBLNC-UHFFFAOYSA-N
rxn:4:175324:223712,CCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,CIILHFDNUOATQU-NZZNIUJZSA-N
rxn:4:175510:222524,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1CC(C)C,UNSGXQVRNOULSW-UHFFFAOYSA-N
rxn:4:175966:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)c4ccccc4C)c(C(=O)OC)c3)ccc2OC)CC1,KOMFTBSMOXSCKP-UHFFFAOYSA-N
rxn:4:175981:222708,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)cc1,NZQPJOJNFIKFLS-VWNXMTODSA-N
rxn:4:176119:223648,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(-c2ccc(Cl)cc2F)c1,NITJZBOIHMZLRF-UHFFFAOYSA-N
rxn:4:176119:223671,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(-c2ccc(Cl)cc2F)c1,CSYRHHONGOFIRZ-UHFFFAOYSA-N
rxn:4:176215:223814,COCCOC1CCCOc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)ccc21,ZKFCKYQMACLBHU-UHFFFAOYSA-N
rxn:4:176715:223490,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)cc1Cl,CCHBQWZLPQOYTA-UHFFFAOYSA-N
rxn:4:176930:223577,CCOc1cc(C(F)(F)F)cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,LJPYIICMNYIEHI-UHFFFAOYSA-N
rxn:4:177274:223502,CC(C)OCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1Cl,LXJFTVIXONHACM-UHFFFAOYSA-N
rxn:4:178303:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)c3cccc(C4OCCO4)c3)c(F)c2)CC1,SPROENLDHHYXSN-UHFFFAOYSA-N
rxn:4:178428:223598,O=S(=O)(Oc1ccc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc2c1)C(F)(F)F,TYRQIVXOIGEFAP-UHFFFAOYSA-N
rxn:4:179511:223499,CCOc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C,RRTFLVGGQKKNMP-UHFFFAOYSA-N
rxn:4:180414:225369,COC(=O)c1cc(-c2ccc(SC=C3C(=O)OC(C)(C)OC3=O)cc2)c(Cl)c([N+](=O)[O-])c1,VKFZXSBRNGZWDH-UHFFFAOYSA-N
rxn:4:180509:225525,CCOC(=O)CCc1ccccc1-c1cc(OC)ccc1C=C1C(=O)OC(C)(C)OC1=O,ONTQNWVCBPNBAR-UHFFFAOYSA-N
rxn:4:180792:224022,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2=O,DTAWJTBSPWUKQY-UHFFFAOYSA-N
rxn:4:182087:223533,Cc1cc(C2CCOCC2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,GJRMAVWAEYAWJD-UHFFFAOYSA-N
rxn:4:182090:222393,CC1(C)OC(=O)C(=Cc2ccc(-c3cccc(C(=O)N[C@H]4CC[C@H](O)CC4)c3)cc2)C(=O)O1,IHCOGLUZDRNCDU-MEMLXQNLSA-N
rxn:4:182180:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(=O)C(C(F)(F)F)C3)CC1,ONEVVCJSNCJQMG-UHFFFAOYSA-N
rxn:4:182354:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c2c1OC1(CCCC1)C2,NRBDCHCJLAMNNC-UHFFFAOYSA-N
rxn:4:182354:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c2c1OC1(CCCC1)C2,JSLNOWBZSZVKCK-UHFFFAOYSA-N
rxn:4:182376:222902,COC(=O)CNC(=O)c1cccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c1,JHEXNOMXCBAIAS-GPNSRJIGSA-N
rxn:4:182376:225713,CCOC(=O)COc1cccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c1,UXLPDDJYLWZDTE-LBNMFOMMSA-N
rxn:4:182962:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1F)OCCC2=O,VNKDVYFLYISAEB-UHFFFAOYSA-N
rxn:4:183272:226542,CCOC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1F,UNGYQFWZMRBJHP-UHFFFAOYSA-N
rxn:4:183273:227481,COC(OC)c1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,VAIXNXDPPWKNFK-UHFFFAOYSA-N
rxn:4:183273:228876,FC1CC1n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,IVOLHVXAIDMVMR-UHFFFAOYSA-N
rxn:4:183274:223853,c1ccc2c(c1)ccc1oc3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCOCCO5)cc3c12,PKKFNNKPMATIML-UHFFFAOYSA-N
rxn:4:183274:225892,COc1cnc(C(OC)OC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,XFEUSKRHLXGPGE-UHFFFAOYSA-N
rxn:4:183274:227546,COC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,ZXJGFEMOSMXKQZ-UHFFFAOYSA-N
rxn:4:183483:224397,CCOC(=O)CC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc([N+](=O)[O-])c1,CXXMHKFDGOXNPQ-UHFFFAOYSA-N
rxn:4:183486:224819,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,XRZXJFHPUAYASG-UHFFFAOYSA-N
rxn:4:183490:223823,CCOC(=O)Cc1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C#N)cc1C(F)F,YYFULIASKKNCBO-UHFFFAOYSA-N
rxn:4:183548:222389,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,HBTLLUISWKWNBD-UHFFFAOYSA-N
rxn:4:183548:222624,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1cc(CC(C)C)nc(C2CCNCC2)c1,XCCNXVYBLPEDQL-UHFFFAOYSA-N
rxn:4:183548:224065,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,ROYLJSQZPPFOTQ-UHFFFAOYSA-N
rxn:4:183549:222389,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,TYHVRHJGFWRRSB-UHFFFAOYSA-N
rxn:4:183549:224065,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,CWOOPNVBHWDVQQ-UHFFFAOYSA-N
rxn:4:183552:224065,CCOC(=O)Cc1cc(OC)c(C#N)cc1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,QZVYKXIXFKFRCV-UHFFFAOYSA-N
rxn:4:183553:223534,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,CRXVWCVCMSTIKR-UHFFFAOYSA-N
rxn:4:183553:224065,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,SPVJJOOYBWPKQL-UHFFFAOYSA-N
rxn:4:183554:223918,CCOC(=O)Cc1cc(C#N)cc(OC)c1-c1cc(C(=O)N(C)C2CCCCC2)ccc1F,OTTMIAVKYCODRT-UHFFFAOYSA-N
rxn:4:183556:223534,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,KYBGUEMTTCTJAX-UHFFFAOYSA-N
rxn:4:183556:223588,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,HSELUPYGXARKJK-UHFFFAOYSA-N
rxn:4:183556:224065,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(C2CC2)cc(N2CCC(C)CC2)c1,JBWLWUIOABBZHV-UHFFFAOYSA-N
rxn:4:183559:222389,CCOC(=O)Cc1cc(OC)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C#N,ILVPCAQINVMDCA-UHFFFAOYSA-N
rxn:4:183559:222542,CCOC(=O)Cc1cc(OC)cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c1C#N,CQQGIIONELEXNN-UHFFFAOYSA-N
rxn:4:183559:222621,CCOC(=O)Cc1cc(OC)cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c1C#N,YGCRRCFHQOVKKY-UHFFFAOYSA-N
rxn:4:183559:222624,CCOC(=O)Cc1cc(OC)cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c1C#N,RTPCBXGJLKYITD-UHFFFAOYSA-N
rxn:4:183559:224065,CCOC(=O)Cc1cc(OC)cc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c1C#N,LMTDYTDOFRFLDQ-UHFFFAOYSA-N
rxn:4:183560:223683,CCOC(=O)Cc1c(OC)ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c1C#N,UOJTUFCGPIGLDC-UHFFFAOYSA-N
rxn:4:183560:223687,CCOC(=O)Cc1c(OC)ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1C#N,SKMNEAQKRPPVJU-UHFFFAOYSA-N
rxn:4:183566:222389,CCOC(=O)Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OC)c1C#N,HVNLPNRODQMZPN-UHFFFAOYSA-N
rxn:4:183566:222621,CCOC(=O)Cc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c(OC)c1C#N,YNVRUWWGHHQXEY-UHFFFAOYSA-N
rxn:4:183566:222624,CCOC(=O)Cc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c(OC)c1C#N,JPPFXPHTEJZAJF-UHFFFAOYSA-N
rxn:4:183566:224065,CCOC(=O)Cc1ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c(OC)c1C#N,VGOGBTTTXKQHIY-UHFFFAOYSA-N
rxn:4:183568:222624,CCOC(=O)Cc1c(C#N)cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1OC,BUJVRUCQQGBJEF-UHFFFAOYSA-N
rxn:4:183568:223588,CCOC(=O)Cc1c(C#N)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1OC,LAVVSUBKHKJBAR-UHFFFAOYSA-N
rxn:4:183568:224065,CCOC(=O)Cc1c(C#N)cc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc1OC,JAXNHKHMQCGISN-UHFFFAOYSA-N
rxn:4:183572:222389,CCOC(=O)Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(OC)c1C#N,VCVVQAXSTJDTDX-UHFFFAOYSA-N
rxn:4:183572:222621,CCOC(=O)Cc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc(OC)c1C#N,VEZZJBSOSSEFAM-UHFFFAOYSA-N
rxn:4:183572:222624,CCOC(=O)Cc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc(OC)c1C#N,ISYCNMAWGLRMCX-UHFFFAOYSA-N
rxn:4:183572:223534,CCOC(=O)Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc(OC)c1C#N,FVGBIRJFYBIQDS-UHFFFAOYSA-N
rxn:4:183572:223918,CCOC(=O)Cc1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)cc(OC)c1C#N,ISDMIEGBAUDKKY-UHFFFAOYSA-N
rxn:4:183572:224065,CCOC(=O)Cc1cc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc(OC)c1C#N,OMLAQOHZVFMJAW-UHFFFAOYSA-N
rxn:4:183573:222389,CCOC(=O)Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OC)cc1C#N,FCVNLSFTNRYMCX-UHFFFAOYSA-N
rxn:4:183573:222542,CCOC(=O)Cc1cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c(OC)cc1C#N,YVCZOTPZDQJPGS-UHFFFAOYSA-N
rxn:4:183573:222546,CCOC(=O)Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(OC)cc1C#N,JPFLRJXOCVMCMM-UHFFFAOYSA-N
rxn:4:183573:222624,CCOC(=O)Cc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c(OC)cc1C#N,COXKKGPLFWMEME-UHFFFAOYSA-N
rxn:4:183573:223588,CCOC(=O)Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(OC)cc1C#N,CCWWGMZTNAONAS-UHFFFAOYSA-N
rxn:4:183573:223683,CCOC(=O)Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(OC)cc1C#N,MJKMHDYRJDJZLL-UHFFFAOYSA-N
rxn:4:183573:223687,CCOC(=O)Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(OC)cc1C#N,VOBKLHOFVXKCOK-UHFFFAOYSA-N
rxn:4:183573:224065,CCOC(=O)Cc1cc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c(OC)cc1C#N,ZEUIMAOVBFCHEW-UHFFFAOYSA-N
rxn:4:183576:222389,CCOC(=O)Cc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OC)c1C#N,VCGGBKIOYQBNJZ-UHFFFAOYSA-N
rxn:4:183576:222621,CCOC(=O)Cc1c(-c2cc(CC(C)C)nc(C3CCCNC3)c2)ccc(OC)c1C#N,PJNUMEYYUDXAME-UHFFFAOYSA-N
rxn:4:183576:222624,CCOC(=O)Cc1c(-c2cc(CC(C)C)nc(C3CCNCC3)c2)ccc(OC)c1C#N,GAKCHAHWSLEHLI-UHFFFAOYSA-N
rxn:4:183576:223918,CCOC(=O)Cc1c(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)ccc(OC)c1C#N,CYWLJJQVBNETFJ-UHFFFAOYSA-N
rxn:4:183576:224065,CCOC(=O)Cc1c(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)ccc(OC)c1C#N,WRFQCSHTIKPIME-UHFFFAOYSA-N
rxn:4:183592:224397,CCOC(=O)C(C)Oc1c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cccc1[N+](=O)[O-],GFFIYLDZDJHFPM-UHFFFAOYSA-N
rxn:4:183760:224101,COCCOc1cc(-c2cccc(OCCN3CCC(C)CC3)c2)ccc1C(=O)N1CCCC1,CGWLVUPSCOIIFT-UHFFFAOYSA-N
rxn:4:183803:222944,O=S(=O)(NC1CC1)c1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)c(F)c1,GTCWBGZFNRMGMH-UHFFFAOYSA-N
rxn:4:183804:224356,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)cc2sc(Cl)cc21,VCYCVSUZRNADAO-UHFFFAOYSA-N
rxn:4:183808:227352,COC(=O)c1ccc(C)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)CC1,UPQNJIWQCWICOC-UHFFFAOYSA-N
rxn:4:183872:224378,COCCOc1cc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)ccc1C(=O)N1CCCCC1,AKHMURKCIIFISM-UHFFFAOYSA-N
rxn:4:183873:225570,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc(C(=O)OC)ccc2C2CC2)c1,GLYMKFRSTWWBOK-UHFFFAOYSA-N
rxn:4:183876:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cc(Cl)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,CPPGFNFLDJZQQF-UHFFFAOYSA-N
rxn:4:183877:226715,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cnn(C(=O)OC(C)(C)C)c2)C1,YYYWCWLFOWOJQG-UHFFFAOYSA-N
rxn:4:183878:223638,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)C1,WHAOHZFUCQIPGU-UHFFFAOYSA-N
rxn:4:183878:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,DCCXMJAAGDQKOH-UHFFFAOYSA-N
rxn:4:183934:222776,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(CN3CCC(O)CC3)cc2F)CC1,NUVAVWWKMPRPRM-UHFFFAOYSA-N
rxn:4:183934:224318,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)CC1,CIRGZGKVBCUQJK-UHFFFAOYSA-N
rxn:4:183934:225519,CCOC(=O)CCc1ccc(-c2ccccc2CCCN2CCC(C(=O)OC)CC2)cc1,VICHZRYFCBKFLF-UHFFFAOYSA-N
rxn:4:183963:223532,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,RMYVOLNTOIFFSL-UHFFFAOYSA-N
rxn:4:184013:224076,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2)CC1,XXIPHENERWSSLT-UHFFFAOYSA-N
rxn:4:184014:226582,CN(C)C(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1,YVLKSRWLZBZMOV-UHFFFAOYSA-N
rxn:4:184016:223939,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,IESQWWHBLGXEBY-UHFFFAOYSA-N
rxn:4:184017:227696,COC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)n1,LRDFZZHBDCCERK-UHFFFAOYSA-N
rxn:4:184018:224352,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)CC1,IWVBYDBMKIZMHR-UHFFFAOYSA-N
rxn:4:184018:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,VDCLWZXLFGVFSB-UHFFFAOYSA-N
rxn:4:184018:225877,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccc(Cl)cc2N2CCOCC2)CC1,JEBGALTXSXZIRN-UHFFFAOYSA-N
rxn:4:184024:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,DOIWBWZWURNDPU-UHFFFAOYSA-N
rxn:4:184029:223534,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)c2F)CC1,OZMSRZOGRPCYOR-UHFFFAOYSA-N
rxn:4:184029:223556,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c2F)CC1,XWTUNAXFQORWJU-UHFFFAOYSA-N
rxn:4:184031:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,KBHAXPXPAVDSAF-UHFFFAOYSA-N
rxn:4:184055:224720,COc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,JPWNQVGCCNRLLM-UHFFFAOYSA-N
rxn:4:184216:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc12,GATSJCNTWBPHFO-UHFFFAOYSA-N
rxn:4:184525:223531,COC(=O)Cc1cc(OC)c(C#N)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,GBDFFCHEGHOWIW-UHFFFAOYSA-N
rxn:4:184655:222389,CCOC(=O)Cc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(C)c1C#N,DARGFMLEDXEXHS-UHFFFAOYSA-N
rxn:4:184655:223918,CCOC(=O)Cc1c(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)ccc(C)c1C#N,REDXFFGQAZQAPM-UHFFFAOYSA-N
rxn:4:184655:223922,CCOC(=O)Cc1c(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)ccc(C)c1C#N,BJLSOCYKENWDBG-UHFFFAOYSA-N
rxn:4:184911:224656,COc1ccc(-c2ccc(C3(C#N)CCC3)c(OCC3CC3)c2)c(F)c1OC1CCCC1,ODEXJGCGDQNYJU-UHFFFAOYSA-N
rxn:4:184918:224586,CC1CCN(Cc2ccc(F)cc2-c2ccccc2OCCCN2CCC(F)(F)C2)CC1,HNHVPBKZZOMICR-UHFFFAOYSA-N
rxn:4:184986:223918,CC(C)COc1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)ccc1C1(C#N)CCC1,IWMMPYTWMVKTQN-UHFFFAOYSA-N
rxn:4:184986:223922,CC(C)COc1cc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)ccc1C1(C#N)CCC1,NEUSZURIDPYUIK-UHFFFAOYSA-N
rxn:4:185027:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cccc(SC3CN(C(=O)OC(C)(C)C)C3)c2)c1,FWWNKRLMVSSKFQ-UHFFFAOYSA-N
rxn:4:185027:225338,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3ccc(F)c(COCC(F)(F)F)c3)c2)C1,BOSDALPVLKIKSN-UHFFFAOYSA-N
rxn:4:185045:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2Cl)CC1,IMBKQTMHDSNKPK-UHFFFAOYSA-N
rxn:4:185102:225295,CC(C)CN(C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1)C1CCS(=O)(=O)C1,DYPDXZVJUDIMHB-UHFFFAOYSA-N
rxn:4:185138:223831,COC(=O)C1CCN(CCc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)ccc2F)CC1,KJAJMSYNRAEVKF-UHFFFAOYSA-N
rxn:4:185145:224820,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)C1,QGXMENXPPVEVLX-UHFFFAOYSA-N
rxn:4:185149:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)C1,UTYUJFIGJDNROW-UHFFFAOYSA-N
rxn:4:185149:224292,Cc1cc(-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)OCC(C)(C)C,AZUCLBMBESFOQY-UHFFFAOYSA-N
rxn:4:185158:223952,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c1,KSHJPIUIHYZHKU-UHFFFAOYSA-N
rxn:4:185159:225896,COCCOc1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(=O)OC)c2)c(F)cc1F,YJTSBHYDMSKNSE-UHFFFAOYSA-N
rxn:4:185193:224587,CC1CCN(CCCOc2c(F)cccc2-c2ccc(CN3CCC(C)CC3)c(F)c2)CC1,UKJDOKQKLSYQBM-UHFFFAOYSA-N
rxn:4:185197:224278,Cc1ccc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,RPSRCBYJMHRVLX-UHFFFAOYSA-N
rxn:4:185203:222928,COc1ccc(-c2cnc(N3CCC(O)CC3)nc2C)c(C2CN(C(=O)OC(C)(C)C)C2)c1,NOUOXUCRZJTPCG-UHFFFAOYSA-N
rxn:4:185203:223528,COc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,FZGCEEYFCICNAJ-UHFFFAOYSA-N
rxn:4:185204:223590,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1C1CN(C(=O)OC(C)(C)C)C1,VEPRBYIFFHKWRZ-UHFFFAOYSA-N
rxn:4:185205:224269,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)c1,XNTCVLYATKONTL-UHFFFAOYSA-N
rxn:4:185205:225181,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cccc(CN3CCOCC3)c2F)c1,SIUQPLVJHMEILF-UHFFFAOYSA-N
rxn:4:185208:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,DDVUMMLDVYKTOE-UHFFFAOYSA-N
rxn:4:185269:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)cc3)c3cc(Cl)cnc32)cc1,AMIKXMFGRNVFQL-UHFFFAOYSA-N
rxn:4:185309:223929,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,KQYYWDZEOUUGIG-UHFFFAOYSA-N
rxn:4:185309:225312,CN1CCCN(c2ncc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,LREBTYAQVVVSQC-UHFFFAOYSA-N
rxn:4:185313:225312,CN1CCCN(c2ncc(-c3ccccc3OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,HORDWUGVHOSHFP-UHFFFAOYSA-N
rxn:4:185324:226773,COC(=O)c1c(Cl)ccc(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,UBYVDCOBBYSZDR-UHFFFAOYSA-N
rxn:4:185352:223227,CC(NC1CC1)c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)s1,DGIXBQFEIZJLQM-UHFFFAOYSA-N
rxn:4:185352:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,UIUPPECAAVARNI-UHFFFAOYSA-N
rxn:4:185352:223929,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,BAHNWBSVMBYTNC-UHFFFAOYSA-N
rxn:4:185354:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,FNSKCAVJPNALCP-UHFFFAOYSA-N
rxn:4:185354:223592,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,SRKQYVFGHOUCEQ-UHFFFAOYSA-N
rxn:4:185354:224356,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,MWCGJSYYEDCDJQ-UHFFFAOYSA-N
rxn:4:185371:223671,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,KNXLURHOWGVPOV-UHFFFAOYSA-N
rxn:4:185378:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VGKQRNIGPHCUED-UHFFFAOYSA-N
rxn:4:185378:223775,COc1ccc2c(c1)c(-c1cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c1)cn2C(=O)OC(C)(C)C,BZYKVUVBEDIDKW-UHFFFAOYSA-N
rxn:4:185378:226829,Cc1cc(C(F)(F)F)cc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1Cl,RWHFMLUQAQUTNA-UHFFFAOYSA-N
rxn:4:185382:224081,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)ccc2C(F)(F)F)CC1,XALLZDFHQWSAQW-UHFFFAOYSA-N
rxn:4:185383:223531,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc(C(F)(F)F)c2)CC1,FCFZHOWITMIWMS-UHFFFAOYSA-N
rxn:4:185383:223884,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c2)CC1,YIQOPLMGZMWIIK-UHFFFAOYSA-N
rxn:4:185383:223928,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c2)CC1,QNRNFPOXFIQSPP-UHFFFAOYSA-N
rxn:4:185383:226502,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccn(C(=O)OC(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,YTIUZYZZKCRNSA-UHFFFAOYSA-N
rxn:4:185383:226715,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnn(C(=O)OC(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,QEUOOVMALOZJEC-UHFFFAOYSA-N
rxn:4:185387:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,KNDOXHPQIURCIC-UHFFFAOYSA-N
rxn:4:185388:223058,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2C(F)(F)F)C1,LPBPQMJWLNLAQV-UHFFFAOYSA-N
rxn:4:185388:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,NIKQESPIFJCETM-UHFFFAOYSA-N
rxn:4:185408:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)cnc1Cl,LDFHISAUYRILAV-UHFFFAOYSA-N
rxn:4:185411:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c(C2CC2)c1,UVGXHJUUZXSHOT-UHFFFAOYSA-N
rxn:4:185413:226511,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cc(Cl)cnc1OCC1CC1,FBGXEGFDUNQMOS-UHFFFAOYSA-N
rxn:4:185422:225181,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cccc(CN4CCOCC4)c3F)cc2C2CC2)C1,JTVKZSDTNWCKLV-UHFFFAOYSA-N
rxn:4:185423:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2Cl)CC1,CSUPUGZTQFSSAK-UHFFFAOYSA-N
rxn:4:185438:224448,Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1OCc1ccccc1,UDZXBVRXCXYRLN-UHFFFAOYSA-N
rxn:4:185438:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,QJJBXKZBTCOWFT-UHFFFAOYSA-N
rxn:4:185786:223696,CCOC(=O)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,RVGQPMYOUJDLLS-UHFFFAOYSA-N
rxn:4:185914:223652,COC(=O)c1cc(C(F)(F)F)c(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)cc1C#N,FNDKQENQAMUDLX-UHFFFAOYSA-N
rxn:4:185964:223696,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],FGAFNRALRBLPQR-UHFFFAOYSA-N
rxn:4:186197:223815,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c(OC)nc1OC,VJCIEPJWDYFILM-UHFFFAOYSA-N
rxn:4:186346:223529,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,NXUMVXTXGWNKKJ-UHFFFAOYSA-N
rxn:4:186922:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCOCC4)c(OC(F)(F)F)c3)c2)CC1,KPUJLKXLEYWKEL-UHFFFAOYSA-N
rxn:4:186976:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OCCN2CCC(=O)CC2)c(Cl)c1,JJYZZAHKBTUZCK-UHFFFAOYSA-N
rxn:4:186991:222735,O=C(NC1CCCCC1)c1cccc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)c1,XWHFIMSPOIHSRR-UHFFFAOYSA-N
rxn:4:187011:223696,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2F)C1=O,QTDGIPZLURRSAG-QHCPKHFHSA-N
rxn:4:187064:222466,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,JSQSQKBJXJPWSQ-UHFFFAOYSA-N
rxn:4:187064:224376,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,AWMUEGLVXOFJNF-UHFFFAOYSA-N
rxn:4:187072:224572,CCOc1cc(C(=O)N2CCOCC2)ccc1-c1ccc(N2CCCC(C)C2)cc1C#N,VKMJJQKSLAFZNB-UHFFFAOYSA-N
rxn:4:187128:225295,O=C(CS(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCCC2)c1)N1CCCCC1,XDYUIBROCCCAHU-UHFFFAOYSA-N
rxn:4:187198:223748,COC(=O)c1cc(CN2CCCCC2)cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1,KZIAYDSVPZWELS-UHFFFAOYSA-N
rxn:4:187200:224101,COC(=O)c1ccc(-c2cccc(OCCN3CCC(C)CC3)c2)c(CN2CCCCC2)c1,SWEFGBPDDCPFTA-UHFFFAOYSA-N
rxn:4:187212:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3F)cc2Cl)CC1,WGDZAHMZDOATSR-UHFFFAOYSA-N
rxn:4:187213:223520,CC(c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,YXGSQYNTNWCOGG-UHFFFAOYSA-N
rxn:4:187220:223761,CC(C)(C)OC(=O)N1CC(c2ccc(F)c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,LABUDZFDTVIDDP-UHFFFAOYSA-N
rxn:4:187222:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,MTJFGSARUDNCEF-UHFFFAOYSA-N
rxn:4:187300:224591,CC1CCN(CCOc2ccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)cc2Cl)CC1,KZHUEMHRAODLMQ-UHFFFAOYSA-N
rxn:4:187384:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4C(=O)CCN4C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,DPODGOWNEDSGEX-UHFFFAOYSA-N
rxn:4:187405:224588,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1cc(F)cc(CN2CCC(C)CC2)c1,DEKANMAXEMEGJZ-UHFFFAOYSA-N
rxn:4:187406:224182,Cc1cc(-c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)ccc1OCCN1CCOCC1,YBMOSNXHUKDDKV-UHFFFAOYSA-N
rxn:4:187406:224592,Cc1cc(-c2cc(C3(C#N)CCCCC3)ccc2F)ccc1OCC(=O)N1CCC(C)CC1,VBUCAPMJJUIJPU-UHFFFAOYSA-N
rxn:4:187413:223480,Cc1cc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KEFGPKOURLEMGG-UHFFFAOYSA-N
rxn:4:187413:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)ccc2F)CC1,IOAACKFILNUIRJ-UHFFFAOYSA-N
rxn:4:187419:223670,Cc1cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CN(C(=O)OC(C)(C)C)C1,LHNZNPPXCUVBBP-UHFFFAOYSA-N
rxn:4:187436:223504,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,WTMCRPLLAVFSSQ-UHFFFAOYSA-N
rxn:4:187438:223650,Cc1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,CYTWPESEZPOGIU-UHFFFAOYSA-N
rxn:4:187438:223888,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,HUVFEALPZVRLQZ-UHFFFAOYSA-N
rxn:4:187444:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)c(F)c3)cc2F)CC1,CNIIJIFNJIHNMB-UHFFFAOYSA-N
rxn:4:187445:223588,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BJJNTVUKIGZINM-UHFFFAOYSA-N
rxn:4:187445:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)c(Cl)c2)CC1,CKARCHUEJPFTOC-UHFFFAOYSA-N
rxn:4:187488:225952,CCOc1ccc(-c2cnc(N3CCOCC3)nc2C)cc1S(=O)(=O)N1CCC(C)CC1,WPLWNSFBTHIDDD-UHFFFAOYSA-N
rxn:4:187489:224406,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,TVAKTPPOXKXRNE-UHFFFAOYSA-N
rxn:4:187492:223480,Cc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YVCYZEMGYMAOPT-UHFFFAOYSA-N
rxn:4:187492:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)C1,DTQHZTMOROGMAZ-UHFFFAOYSA-N
rxn:4:187493:222799,Cc1cc(-c2ccccc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1S(=O)(=O)NC(C)(C)C,TZKMJSVONRIBTG-UHFFFAOYSA-N
rxn:4:187499:225733,CCCCOc1cc(-c2cc(OC)c(C(=O)N3CCCC(C)C3)c(OC)c2)c(F)cc1F,LBIUMZVTPXVLBU-UHFFFAOYSA-N
rxn:4:187542:222818,COC(=O)c1cc(-c2cc(OC)c(CN3CCC(C)CC3)c(OC)c2)c(F)cc1NC(C)=O,CTPIKYLGANNAKF-UHFFFAOYSA-N
rxn:4:187573:223776,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2)CC1,FQSJZRBHHLUNEB-UHFFFAOYSA-N
rxn:4:187573:223933,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)CC1,KUGDSHVCFGHFLR-UHFFFAOYSA-N
rxn:4:187578:223941,Cc1cc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)C1,RJCIZYKLUMQPLQ-UHFFFAOYSA-N
rxn:4:187578:224269,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)ccc1C1CCN(C(=O)OC(C)(C)C)C1,JPNQYELWSPIPBP-UHFFFAOYSA-N
rxn:4:187582:223660,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,DYAIPDADPZRUFD-UHFFFAOYSA-N
rxn:4:187582:223761,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)CC1,IKEMRZXONNDHEU-UHFFFAOYSA-N
rxn:4:187582:223818,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c2)CC1,DAKZPNQKZKZMQX-UHFFFAOYSA-N
rxn:4:187584:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,MARZHLPNIIPVAG-UHFFFAOYSA-N
rxn:4:187584:224964,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)ccc2-c2ccc(COC3CCOCC3)cc2)C1,DIDWZVWZUBUTTN-UHFFFAOYSA-N
rxn:4:187587:223883,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2Cl)CC1,PTIDHXGLDWXQGV-UHFFFAOYSA-N
rxn:4:187594:225294,CCN1CCN(c2ncc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,ZGMXVEUXLDTBEP-UHFFFAOYSA-N
rxn:4:187595:222769,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)c2)CC1,LMUIBPFLEHXXQU-UHFFFAOYSA-N
rxn:4:187595:223525,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,XFIITQLWCUVZRN-UHFFFAOYSA-N
rxn:4:187621:224656,COc1ccc(-c2ccc(C3(N(C)CC4CCCCC4)CC3)cc2)c(F)c1OC1CCCC1,CINPMZQNMCYHOI-UHFFFAOYSA-N
rxn:4:187626:223832,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1S(=O)(=O)N1CC(C)CC(C)C1,PEOBCMHTUKQLFT-UHFFFAOYSA-N
rxn:4:187631:223527,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,HXDVGGCFWONSAV-UHFFFAOYSA-N
rxn:4:187631:225665,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2)CC1,CSPJQYCIOUPLQN-UHFFFAOYSA-N
rxn:4:187639:223773,COc1cccc2cc(-c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C3C=CS(=O)(=O)C3)n(C(=O)OC(C)(C)C)c12,GBLNSLVQFIKEGM-UHFFFAOYSA-N
rxn:4:187659:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,RMHDKSBJZBFDOY-UHFFFAOYSA-N
rxn:4:187659:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,WCNTYVGNKINMAZ-UHFFFAOYSA-N
rxn:4:187659:223777,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,GBBPQHMFVBQYOH-UHFFFAOYSA-N
rxn:4:187659:224277,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2)CC1,FRVLZDVUEIPZJU-UHFFFAOYSA-N
rxn:4:187662:223578,Cc1cc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,BXJLAZAQFMTYBK-UHFFFAOYSA-N
rxn:4:187668:223526,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,AYOXSPNJOHKNEG-UHFFFAOYSA-N
rxn:4:187668:225909,CCOc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c(C(F)(F)F)c1,AMCSVPMSTVYRBH-UHFFFAOYSA-N
rxn:4:187670:223498,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,SIHVIFVJYFDJED-UHFFFAOYSA-N
rxn:4:187681:225895,COCCOc1cc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc(Cl)c1F,BLSPVEVCSSXKET-UHFFFAOYSA-N
rxn:4:187862:225207,Cc1c(-c2ccccc2CCC(=O)N2C3C=CCC2CC3)cc(C2CC2)cc1C(F)(F)F,NGMUUJZKZXMUJX-UHFFFAOYSA-N
rxn:4:187916:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)cc2)CC1,CXYUDPVQMTWWKS-RHLAMLGOSA-N
rxn:4:187944:224949,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1CN1CCCC1,QWCSOHOMYUZPQT-UHFFFAOYSA-N
rxn:4:187944:224950,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(CN2CCCC2)c1,FDPZXOSQWOMJIH-UHFFFAOYSA-N
rxn:4:187944:226125,COCc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc(C2CC2)c1,YITACTMRADLOKP-UHFFFAOYSA-N
rxn:4:187946:226084,COc1ccc2c(c1-c1ccc3c(c1)C(=O)CCCC3)CCN(C(=O)OC(C)(C)C)[C@@H]2C,XWYJQLVXEJHEJI-QGZVFWFLSA-N
rxn:4:187951:223602,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,HOOOOQDGJHWHTG-UHFFFAOYSA-N
rxn:4:187995:223637,CCc1cc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ZMVAVDZCFCNRDX-UHFFFAOYSA-N
rxn:4:187995:224997,CCc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,VVHNMEDRKNPYQT-UHFFFAOYSA-N
rxn:4:187995:227489,CCc1cc(-c2cnc(N(C)C)c(C#N)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,SIEOEDQCYHTWQG-UHFFFAOYSA-N
rxn:4:188024:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(C)C)cc3)N(Cc3ccco3)C5=O)cc2)CC1,PVEJRUIOISEIQL-FSUXWQOASA-N
rxn:4:188099:223606,COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)sc1C(F)(F)F,ALNUWNWDLSIADX-UHFFFAOYSA-N
rxn:4:189603:224355,Cc1cccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)c1C(=O)ON1C(=O)CCC1=O,RSCCRHIMUDFAAF-UHFFFAOYSA-N
rxn:4:189639:223474,CC(C)Cc1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1S(N)(=O)=O,RFRKGAPNKZUCCE-UHFFFAOYSA-N
rxn:4:189866:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,AXXSCNGJASVVHV-UHFFFAOYSA-N
rxn:4:189921:223970,COC(=O)c1c(C2CCOCC2)ccnc1-c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1,AHFDHPBCRGDBLV-UHFFFAOYSA-N
rxn:4:189926:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)c2)CC1,PFBPSOSLWVYNCU-UHFFFAOYSA-N
rxn:4:190016:223810,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCOCC1,OFVHXLOPFBLYCM-UHFFFAOYSA-N
rxn:4:190123:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2(C(=O)N3CCCC3)CC2)cc1,IWOCERGHRBPYMX-UHFFFAOYSA-N
rxn:4:190180:228199,Cc1nn(C2CCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,OXZKRRJSVXJZDJ-UHFFFAOYSA-N
rxn:4:190217:225361,CCC(=O)C1CCCN(c2ccccc2-c2cn(C3CCCC3)nc2C(F)(F)F)C1=O,HNTOVOZALVLWJQ-UHFFFAOYSA-N
rxn:4:190315:223810,Cc1cc(-c2cc(CCN3CCC(C)CC3)ccc2F)cc(C)c1S(=O)(=O)N1CCC(C)CC1,WTKRECBPWTUBFL-UHFFFAOYSA-N
rxn:4:190325:224397,CS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)ccc1CN1CCCCC1,BXOQBCGIHVFFJR-UHFFFAOYSA-N
rxn:4:190773:223812,COCCN1CCc2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccc2C1,RMNNYMDTQROZBB-UHFFFAOYSA-N
rxn:4:190773:223814,COCCN1CCc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)ccc2C1,LROIRROULKRTDL-UHFFFAOYSA-N
rxn:4:190773:223815,COCCN1CCc2cc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)ccc2C1,CFTZAHDTRASHTK-UHFFFAOYSA-N
rxn:4:190798:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)CC1,RIVZWXISZGIZPH-UHFFFAOYSA-N
rxn:4:190823:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2)CC1,UYKRBZZBFQNMHA-UHFFFAOYSA-N
rxn:4:190823:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2Cl)CC1,ROICEVQVKUSPOL-UHFFFAOYSA-N
rxn:4:190849:222426,CCCCN1Cc2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)ccc2OCC1=O,HELKFINUYKWMPQ-UHFFFAOYSA-N
rxn:4:191031:223562,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2CC1,YFMIVFIQPJOJIU-UHFFFAOYSA-N
rxn:4:191043:226842,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cncc(C(=O)C(F)(F)F)c4)ccc3C2=O)CC1,GHGNOWVOPONPRS-KTXOBNNYSA-N
rxn:4:191104:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)c(F)c2)CC1,DQWBMXVGJJKNIS-UHFFFAOYSA-N
rxn:4:191119:228248,CC(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(F)c1,VFKXOGNNNNIUGD-UHFFFAOYSA-N
rxn:4:191121:226421,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccc(Cl)cc3N3CCCC3)c(F)c1C2=O,CXWKCDRNVBHEBB-UHFFFAOYSA-N
rxn:4:191121:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc2c(c1F)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,KPHIQGSDMSPCTR-UHFFFAOYSA-N
rxn:4:191124:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,ZKWZXWMVHFSLSX-UHFFFAOYSA-N
rxn:4:191127:223929,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1O2,OLYPNFQLAJDPTC-UHFFFAOYSA-N
rxn:4:191147:223812,COCCn1c2c(c3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc31)CCCC2,GVEYGZMZSZKDED-UHFFFAOYSA-N
rxn:4:191147:223813,COCCn1c2c(c3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)ccc31)CCCC2,DAPXUONOSKBEER-UHFFFAOYSA-N
rxn:4:191147:223814,COCCn1c2c(c3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)ccc31)CCCC2,JGEUXZKBZVWBSO-UHFFFAOYSA-N
rxn:4:191147:223815,COCCn1c2c(c3cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)ccc31)CCCC2,IHIJBIHVNNYGLA-UHFFFAOYSA-N
rxn:4:192602:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(CN4C(=O)CSC4=O)cc3)cc2)CC1,WLAQICOFOJLXBB-UHFFFAOYSA-N
rxn:4:192735:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(S(=O)(=O)N4CCC4)c3)c2)CC1,XNZGTNVCEWUFRS-UHFFFAOYSA-N
rxn:4:193044:223659,COc1ncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CCCO1,LHKPJPIRSLWLID-UHFFFAOYSA-N
rxn:4:193122:223480,Cc1cc(-c2cc(C(=O)N3CCCC3)cc(F)c2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SUAPCRSPUGJFAW-UHFFFAOYSA-N
rxn:4:193125:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCCC4=O)cc3C(F)(F)F)ccc2F)CC1,OUYQHVORXJEXEB-UHFFFAOYSA-N
rxn:4:193184:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1,BLFHODLCRUZRBF-UHFFFAOYSA-N
rxn:4:193496:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)CC1,VFUODNNRTOJOPL-UHFFFAOYSA-N
rxn:4:193496:224009,COc1ccc(-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)cc1S(=O)(=O)N1CCOCC1,XAOVQQRHCSZJIH-UHFFFAOYSA-N
rxn:4:193499:224009,COc1ccc(-c2cccc(S(=O)(=O)N3CCC(=O)CC3)c2)cc1S(=O)(=O)N1CCOCC1,MGAMXXZHEGKFRF-UHFFFAOYSA-N
rxn:4:193560:223608,Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1,UJDHNHHTGTVTNU-UHFFFAOYSA-N
rxn:4:193627:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1,JDXZHSZHCKOYLU-QGZVFWFLSA-N
rxn:4:193742:223787,CN1CCN(CCCOc2ccc(-c3ccc(N4CCOCC4)c(C4CC4)c3)cc2F)CC1,UELKSUFNXNCSIZ-UHFFFAOYSA-N
rxn:4:193836:224377,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)CC1,WPIVXZHZDCEEHD-UHFFFAOYSA-N
rxn:4:193874:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)CC1,KFAVSAHNOKNXNE-UHFFFAOYSA-N
rxn:4:193888:223810,Cc1cc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,ZNSFMGYHLVNEAV-UHFFFAOYSA-N
rxn:4:193918:224291,Cc1ccc(C(=O)N2CCC(C)CC2)cc1-c1ccc(OCCN2CCOCC2)c(F)c1,HUFCVSCCADJPDR-UHFFFAOYSA-N
rxn:4:193959:223999,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,OYEUEIRMIXUIBE-UHFFFAOYSA-N
rxn:4:193973:225363,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1)N1CC(F)(F)C1,SQMBAYRJOFEXPN-UHFFFAOYSA-N
rxn:4:193999:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCC(C)CC3)cc2)CC1,CBMVDLHGXQAIMY-MCZWQBSQSA-N
rxn:4:194650:222389,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c2ccccc12)N1CCOCC1,ZJPYALOBEBDLIX-UHFFFAOYSA-N
rxn:4:194650:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc(C)c1S(=O)(=O)N1CCOCC1,OJAJZALWDZKNSQ-UHFFFAOYSA-N
rxn:4:194712:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)cc2[N+](=O)[O-])CC1,UCOUJDOBSQZQON-UHFFFAOYSA-N
rxn:4:194712:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)cc2)C1,DVOSGRDETBLYQU-UHFFFAOYSA-N
rxn:4:196528:223697,O=C1CCC(=O)N1c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1,DBDDUMPERRMRBG-UHFFFAOYSA-N
rxn:4:196933:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)cc(N4CCC(=O)CC4)c3)ccn2)CC1,PPILGGHPVPIAHU-UHFFFAOYSA-N
rxn:4:199453:223894,CCOC(=O)Cc1c(C#N)ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)c1[N+](=O)[O-],OSXFKHROKYACQS-UHFFFAOYSA-N
rxn:4:199557:224272,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)ccc2C#N)C1,GVJXDRXHMVGVDZ-UHFFFAOYSA-N
rxn:4:199570:224272,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)c1,SJBAKIZIHLHPLE-LJQANCHMSA-N
rxn:4:199622:227264,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)cc3COC)cc2)CC1,LZTLTZCDJNXEML-UHFFFAOYSA-N
rxn:4:199652:225232,CC1CCN(c2cc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])cnc2Cl)CC1,FXALITIBAVQDCP-UHFFFAOYSA-N
rxn:4:199652:228214,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3cnc(C4CC4)cc3F)c2)C1,JMCOMCSWOVLIFI-UHFFFAOYSA-N
rxn:4:199685:226716,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccn(C(=O)OC(C)(C)C)n3)C2)cc1,QKIIYKAMQRKQMN-UHFFFAOYSA-N
rxn:4:199691:224064,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(C2CC2)cc(N2CCCCC2C)c1,JPRQWHAGMWHOHH-UHFFFAOYSA-N
rxn:4:199705:223845,CCN1CCN(CCCOc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc2C)CC1,HLEHMKHCRMDLCE-UHFFFAOYSA-N
rxn:4:199709:226046,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)n2)CC1,APYFJCPWONVYSX-UHFFFAOYSA-N
rxn:4:199711:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)c1,IPOJLVXYAXNCGD-UHFFFAOYSA-N
rxn:4:199711:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cnc1Cl,KBIVFJRWRJYRHS-UHFFFAOYSA-N
rxn:4:199712:224374,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,CIMARYXBRODNDV-UHFFFAOYSA-N
rxn:4:199714:226747,CCc1ncc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C(F)(F)F,OIDUBJXDMCPPSU-UHFFFAOYSA-N
rxn:4:199743:225561,CC(C)(C)OC(=O)c1ccccc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GHMLDBWERQSMRE-UHFFFAOYSA-N
rxn:4:199763:224962,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3ccccc3COC3CCOCC3)c2)CC1,DCMXQYQEVRZGPP-UHFFFAOYSA-N
rxn:4:199764:226201,COC(=O)c1cc(-c2ccc3nn(C(C)C)cc3c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,SVZMNFWNGWQOMK-UHFFFAOYSA-N
rxn:4:199771:224162,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1,HJKUKAODEWERFT-UHFFFAOYSA-N
rxn:4:199787:223931,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],RBGZBASEFHNBFW-UHFFFAOYSA-N
rxn:4:199809:225665,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc(Cl)cc2N2CCCCC2)c1,RZZAMJACUGMADC-UHFFFAOYSA-N
rxn:4:199812:225232,CC1CCN(c2cc(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnc2Cl)CC1,NDAXDZSRWDQLRX-UHFFFAOYSA-N
rxn:4:199818:225296,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,JYVCVDSVWSRGLB-UHFFFAOYSA-N
rxn:4:199828:222790,CN(Cc1c(Cl)cccc1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1,WERGLKHDGTUGKN-UHFFFAOYSA-N
rxn:4:199828:223776,CN(Cc1c(Cl)cccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)C1CCN(C(=O)OC(C)(C)C)CC1,MIUTVKXAGFIFOZ-UHFFFAOYSA-N
rxn:4:199830:223635,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1Cl,PVZPNEJNCOEBFW-UHFFFAOYSA-N
rxn:4:199834:223952,CC1CN(CCc2ccc(F)c(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,DVYLOHINLXBGMY-UHFFFAOYSA-N
rxn:4:199834:227544,COC(=O)c1ccc(F)cc1-c1cc(CCN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,RQWKTISYVVFKCQ-UHFFFAOYSA-N
rxn:4:199843:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,NURLWIPPPRPMDP-UHFFFAOYSA-N
rxn:4:199860:224761,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,BCXCSTAMZXNWEU-UHFFFAOYSA-N
rxn:4:199870:224322,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,NCRHDZYJMDRSLB-UHFFFAOYSA-N
rxn:4:199874:229061,CC(C)n1cc(-c2ccc(C3CCCN3C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cn1,GJGHVLMNPOVTQS-UHFFFAOYSA-N
rxn:4:199876:223997,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,CLXVGFAQMZHAIJ-UHFFFAOYSA-N
rxn:4:200340:226769,COC(=O)c1cc(F)c(F)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)c1,NVHLNDQALWQNKE-UHFFFAOYSA-N
rxn:4:200369:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C#N)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,TVSLQCFPEIWICG-UHFFFAOYSA-N
rxn:4:200371:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,WZJMBJMSPVJKDS-UHFFFAOYSA-N
rxn:4:200384:222722,O=C(CCc1ccccc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1)N1CC(N2C(=O)COC2=O)C1,CYWZOVCTILZGQQ-UHFFFAOYSA-N
rxn:4:200384:227095,O=C1CC(c2ccc(-c3ccccc3CCC(=O)N3CC(N4C(=O)COC4=O)C3)cc2)C1,ZDBRMQVHGMSWAP-UHFFFAOYSA-N
rxn:4:200431:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)o1,JGMGRSBLJWRCME-UHFFFAOYSA-N
rxn:4:200431:225577,N#Cc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)o1,XMOQASFARKEKJS-UHFFFAOYSA-N
rxn:4:200467:224591,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)cc2F)CC1,SLLWYSYHDSWTKR-UHFFFAOYSA-N
rxn:4:200475:223671,COCCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FFXZYCKAQJCILN-UHFFFAOYSA-N
rxn:4:200477:222426,COc1ncc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc1C1CN(C(=O)OC(C)(C)C)C1,LVUMQUHXRAJPPN-UHFFFAOYSA-N
rxn:4:200479:224376,COCCN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,RXAKBPRDKTZWTC-UHFFFAOYSA-N
rxn:4:200481:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccnc3O[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)CC1,QBOGCOSULUECNY-NRFANRHFSA-N
rxn:4:200493:225163,O=C(Cc1ccc(-c2ccccc2C(=O)N2CCOCC2)cc1)N1CC(CN2C(=O)CCC2=O)C1,RVWGXYKVLHUCHB-UHFFFAOYSA-N
rxn:4:200559:223525,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)co2)CC1,GQOBMHHMYGLLNO-UHFFFAOYSA-N
rxn:4:200559:223975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)co2)CC1,NHOTZNIUNWTLGS-UHFFFAOYSA-N
rxn:4:200567:224760,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(C)c2)CC1,PZBDYZDLSKHYEE-UHFFFAOYSA-N
rxn:4:200595:223773,COc1cccc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,QEGKBDUJOLPYAP-UHFFFAOYSA-N
rxn:4:200605:224290,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)cc1OCCN1CCOCC1,PDTLVPWBVPJCQS-UHFFFAOYSA-N
rxn:4:200610:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,VNVFBDQLKPVYJL-UHFFFAOYSA-N
rxn:4:200610:226897,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(OCC(F)(F)F)nc3)cc2F)CC1,AMIYFAZBJQNNAF-UHFFFAOYSA-N
rxn:4:200643:222457,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nc2)CC1,QIFALISFPLCPTO-UHFFFAOYSA-N
rxn:4:200648:223490,Cc1ccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KXFNSLJRMKSADX-UHFFFAOYSA-N
rxn:4:200648:225472,CC1CCCCN1c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OBWJVGWSOMOFSX-UHFFFAOYSA-N
rxn:4:200649:225438,CC(c1ccc(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCCC1,ASIBWTRKUPJSDI-UHFFFAOYSA-N
rxn:4:200650:225995,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cc(C#N)ccc2OC(F)(F)F)CC1,NVSSMQIFRMTFRI-UHFFFAOYSA-N
rxn:4:200659:222492,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(NC(=O)OCc4ccccc4)c(F)c3)c(F)c2)CC1,LQDRVXXWPMCIOY-UHFFFAOYSA-N
rxn:4:200671:228236,O=C(CCc1ccccc1-c1ccnc(F)c1C1CC1)N1CCC(N2C(=O)COC2=O)CC1,FOEBSHZQHLFOTF-UHFFFAOYSA-N
rxn:4:200698:222986,COC(=O)c1cc(-c2cc(C)nc(C3CCCNC3)c2)ccc1CN1CCN(C(C)C)CC1,MHTOHPIXXJDTGV-UHFFFAOYSA-N
rxn:4:200698:224829,COC(=O)c1cc(-c2ccc(C(=O)OC)c(OC(F)(F)F)c2)ccc1CN1CCN(C(C)C)CC1,QZNXBFMLURARJF-UHFFFAOYSA-N
rxn:4:200698:225546,COC(=O)c1cc(-c2c(OC)cccc2OCC(C)C)ccc1CN1CCN(C(C)C)CC1,HCPVUMFHNGSYQU-UHFFFAOYSA-N
rxn:4:200702:223104,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(NC(=O)C(F)(F)F)cc3)c2)CC1,ZEIZDBBNCBGFLJ-UHFFFAOYSA-N
rxn:4:200705:223593,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2Cl)CC1,WTOFOYGGHMPALZ-UHFFFAOYSA-N
rxn:4:200710:224964,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(COC4CCOCC4)cc3)c2)CC1,HCZGAGFNHPQOCF-UHFFFAOYSA-N
rxn:4:200713:223280,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C4CCNC4)nc3)c2F)CC1,IOAMFVZBRKJHEM-UHFFFAOYSA-N
rxn:4:200713:223489,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2F)CC1,PCGINTJQANOYQJ-UHFFFAOYSA-N
rxn:4:200720:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccn2)CC1,DJGWUXAQGHDXCE-UHFFFAOYSA-N
rxn:4:200720:224817,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)CC1,VIXQEPKIGMZAAE-UHFFFAOYSA-N
rxn:4:200720:225975,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)CC1,XAECYLWJBATBDY-UHFFFAOYSA-N
rxn:4:200721:223588,Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,DRSJHQPNINVHDY-UHFFFAOYSA-N
rxn:4:200721:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MKLNWIROKRHFQI-UHFFFAOYSA-N
rxn:4:200724:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)ccc2Cl)CC1,CRTYOIUJQAHSBP-UHFFFAOYSA-N
rxn:4:200729:224290,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)CC1,SROMZEPWIZVLNC-UHFFFAOYSA-N
rxn:4:200730:223058,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)nc(C4CCCNC4)c3)c2C(F)(F)F)CC1,AEMIGYJZIUDXMW-UHFFFAOYSA-N
rxn:4:200733:223104,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc2C(F)(F)F)CC1,YANJHIHQYDMWGK-UHFFFAOYSA-N
rxn:4:200733:228218,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CC4)ncc3F)cc2C(F)(F)F)CC1,VLQNQHGPAAXWRD-UHFFFAOYSA-N
rxn:4:200736:223934,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)n2)CC1,ZKBPIHGAQZRDBZ-UHFFFAOYSA-N
rxn:4:200760:225102,CCN(CC)C(=O)c1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)ccc1F,XRRZEWOSQXVZHQ-UHFFFAOYSA-N
rxn:4:200763:223593,COc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,JEYWGYJYOIBNBM-UHFFFAOYSA-N
rxn:4:200767:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCC(COc5ccnc(C)c5)C4)cc3)cc2)CC1,IPFPAKLTYYJXQN-UHFFFAOYSA-N
rxn:4:200770:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(COc5ccncc5C)CC4)c3)cc2)CC1,NHCDNCKAFRIDHZ-UHFFFAOYSA-N
rxn:4:200802:222986,CCOc1ccc(-c2cc(C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,RGKADOGSPWRKGX-UHFFFAOYSA-N
rxn:4:200802:223696,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,NBXIBYHYYIKCNH-UHFFFAOYSA-N
rxn:4:200813:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,CFAVMEXKGIIQFX-UHFFFAOYSA-N
rxn:4:200817:223121,CC(c1ccccc1-c1ccc(C(=O)NC2CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DJUABSFSQLOVBN-UHFFFAOYSA-N
rxn:4:200822:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1,LCSUVJHEKTWNQK-UHFFFAOYSA-N
rxn:4:200822:224271,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c2)CC1,QXQSLGALRNXDPB-UHFFFAOYSA-N
rxn:4:200824:223084,Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JGGZGOPISDHYOF-UHFFFAOYSA-N
rxn:4:200824:223581,COC(=O)c1cccc2cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,CRZMFNCVSKCQNA-UHFFFAOYSA-N
rxn:4:200824:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,WYHGFFLUXKKXHQ-UHFFFAOYSA-N
rxn:4:200826:224322,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,DSTJUTVUUVNYFJ-UHFFFAOYSA-N
rxn:4:200828:225087,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(OCCCN(C)C)c(F)c2)c(F)cc1F,AXELTCLMGHYWLC-UHFFFAOYSA-N
rxn:4:200845:227573,CCOc1cc(-c2cc(C3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(F)c1F,IVHUAGLVVKCIHO-UHFFFAOYSA-N
rxn:4:200857:227549,COC(=O)c1cc(Cl)ccc1-c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1C,AXVGSIJMNKTPSN-QGZVFWFLSA-N
rxn:4:200881:223240,O=C(CCc1ccccc1-c1ccc(C2CCNC2)nc1)N1CCCN(C2CCSCC2)CC1,BHIICOOWYILZML-UHFFFAOYSA-N
rxn:4:200882:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)c2)CC1,OEMMQBNQMIJOPN-UHFFFAOYSA-N
rxn:4:200891:222611,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cc2C)CC1,APMADHWBJDXETP-UHFFFAOYSA-N
rxn:4:201134:223761,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c3ccccc23)CC1,QTFKDESTMABPJG-UHFFFAOYSA-N
rxn:4:201134:223939,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c3ccccc23)CC1,ZJJLTPDVSQLDJI-UHFFFAOYSA-N
rxn:4:201144:226667,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc(Cl)cc4-n4cccn4)cc32)CC1,CIJSBGLIISENOV-UHFFFAOYSA-N
rxn:4:201305:223606,COC(=O)CCn1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1C,VLTRRJONMMRNFP-UHFFFAOYSA-N
rxn:4:201312:223695,CCCn1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C(=O)OC,NKLMUCRMAONOFI-UHFFFAOYSA-N
rxn:4:201645:222813,CC(C)(C)OC(=O)Nc1ncc(-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)cc1Cl,SACFGIXGDCYJDO-UHFFFAOYSA-N
rxn:4:201765:226774,O=C(c1ccc(-c2ccc(OC(F)=C(F)F)cc2)cc1)N1CC(CN2C(=O)COC2=O)C1,SMHLWFBEXKGSAC-UHFFFAOYSA-N
rxn:4:201796:222849,CN1CCN(C(=O)COc2cc(-c3ccc(C4CCNCC4)c(C#N)c3)ccc2Cl)CC1,YNZBETYITLIHLR-UHFFFAOYSA-N
rxn:4:201823:224819,O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,KSILRLPLLOQAIE-UHFFFAOYSA-N
rxn:4:201826:222616,CN1CCN(CCOc2ccccc2-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)CC1,WIDXGFKXHBPGHG-UHFFFAOYSA-N
rxn:4:201842:222740,COC(=O)c1nc(N2CCC(OC)CC2)ccc1-c1cc(C(C)C)nc(C2CCCNC2)c1,BJPVIGZENHHPBV-UHFFFAOYSA-N
rxn:4:201923:224486,CC(C)N(C(=O)c1cccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1)C(C)C,AJFQJZDTAFIVTL-UHFFFAOYSA-N
rxn:4:201928:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,HZERTELPYXEUEM-UHFFFAOYSA-N
rxn:4:201932:223520,CC(c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MYFYTAFAFDNTLC-UHFFFAOYSA-N
rxn:4:201945:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,MUQFIYIIUCGNTP-RUZDIDTESA-N
rxn:4:201951:222850,CCOC(=O)c1nc(N2CCC(C)CC2)ccc1-c1cc(C2CCNCC2)ccc1C#N,HLEXMKKSELBQEN-UHFFFAOYSA-N
rxn:4:201951:222886,CCOC(=O)c1nc(N2CCC(C)CC2)ccc1-c1ccc(N2CCNCC2)cc1C#N,LDQBZEFMTXHZAT-UHFFFAOYSA-N
rxn:4:201954:224878,COC(=O)c1ccc(-c2ccccc2COC2CCCCC2)c(CN2CCN(C)CC2)c1,LCBDJAPFFMSBSN-UHFFFAOYSA-N
rxn:4:201958:225232,CC1CCN(c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3F)cnc2Cl)CC1,RHJILBTYRRBQQQ-UHFFFAOYSA-N
rxn:4:201962:222920,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(S(=O)(=O)NC3CC3)cc2C)c1,RHJGFNYJFDJPNO-UHFFFAOYSA-N
rxn:4:201996:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccn3)cc2Cl)CC1,BFWFURCCCXDREN-UHFFFAOYSA-N
rxn:4:202007:224404,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,YLUWKGLZAWLXKZ-UHFFFAOYSA-N
rxn:4:202008:225303,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1,NKYATMFYYQMRIN-UHFFFAOYSA-N
rxn:4:202011:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)CC1,DRVPIQYIMRVEME-UHFFFAOYSA-N
rxn:4:202011:223880,Cc1ccc2c(c1)cc(-c1ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc1)n2C(=O)OC(C)(C)C,VOUMYKAKFURHPP-UHFFFAOYSA-N
rxn:4:202015:223699,CC(C)(C)OC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cnc1N1CCOCC1,YFXRYSYOWIEWCR-UHFFFAOYSA-N
rxn:4:202015:225641,CC1CCCN(c2cc(-c3cnc(N4CCOCC4)c(C(=O)OC(C)(C)C)c3)ccn2)C1,CKUQNOXZOHDWSI-UHFFFAOYSA-N
rxn:4:202020:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnccc3C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)CC1,NWFMZJAYAXPMAO-UHFFFAOYSA-N
rxn:4:202022:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)ccc21,MWLVTHQZJVHYSO-UHFFFAOYSA-N
rxn:4:202022:224272,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cn1,IAGKSYNBSSDQJN-UHFFFAOYSA-N
rxn:4:202073:225716,COCCOCc1cc(F)ccc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1=O,NSJAMRSVYSTICB-UHFFFAOYSA-N
rxn:4:202088:223992,Cc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,OFYXZSPEIGYJLQ-UHFFFAOYSA-N
rxn:4:202097:222426,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)n2)CC1,NBYWDEHMOUSIPY-UHFFFAOYSA-N
rxn:4:202097:223533,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n2)CC1,CTVYUTRZKBPHEU-UHFFFAOYSA-N
rxn:4:202098:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,OZJIVBBYPYVZSX-UHFFFAOYSA-N
rxn:4:202100:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C(=O)OC(C)(C)C)cc(N2CCCCC2)n1,YKTSVWUIGDKVIP-UHFFFAOYSA-N
rxn:4:202103:225531,CCN(CC)Cc1cc(F)ccc1-c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1,RZHOPQZUPKZEBW-UHFFFAOYSA-N
rxn:4:202107:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,CADWJHHQWCIGSC-UHFFFAOYSA-N
rxn:4:202111:222457,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2)CC1,KOGGBNKTEAMFRO-UHFFFAOYSA-N
rxn:4:202126:223635,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,ALQJZZXGUJOZTM-UHFFFAOYSA-N
rxn:4:202131:224997,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCCCC4)cc3)c2)CC1,JTHUJQZBIJDHMG-UHFFFAOYSA-N
rxn:4:202146:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3F)c2)CC1,NEPPJHSZKRGTKM-UHFFFAOYSA-N
rxn:4:202161:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CC1,MWSXHLCREQYPQS-ALOJWSFFSA-N
rxn:4:202170:222729,CCCc1cc(-c2ccccc2CN2CCOC(C(=O)N3CCCC3)C2)cc(C2CCCNC2)n1,GJTDEQNBWOSKNP-UHFFFAOYSA-N
rxn:4:202170:224760,O=C(C1CN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1)N1CCCC1,PSDGDUGYQFEJSK-UHFFFAOYSA-N
rxn:4:202170:224819,O=C(C1CN(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1)N1CCCC1,MTJVBYDAZDWQGA-UHFFFAOYSA-N
rxn:4:202173:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc(C2CCCNC2)n1,KIIDZPCXNFQHIH-UHFFFAOYSA-N
rxn:4:202175:224396,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,AODNPGJYJUFKJK-UHFFFAOYSA-N
rxn:4:202175:227357,CCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)ccc1F,UEOLGGQCIXDEAO-UHFFFAOYSA-N
rxn:4:202205:224597,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)cc(N5CCOCC5)c4)cc3)CC2)cc1,OTVUBWCYDSCGLG-UHFFFAOYSA-N
rxn:4:202207:223608,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,TXNSSVYLKUHCRG-UHFFFAOYSA-N
rxn:4:202212:222538,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCC4)nc(C4CCNCC4)c3)C2)cc1C,IEWURLLUPSMELY-UHFFFAOYSA-N
rxn:4:202226:223648,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,DUFLPTOMTGIIBC-UHFFFAOYSA-N
rxn:4:202228:223847,CCCCCC1CCC(c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,ZGDIZUSSEYAPJN-UHFFFAOYSA-N
rxn:4:202230:223671,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,BMPMDAXBVJPLGT-UHFFFAOYSA-N
rxn:4:202233:223577,CC1CCCN(c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C(=O)OC(C)(C)C)n2)C1,GRZLMRVTGWLIPM-UHFFFAOYSA-N
rxn:4:202242:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)cc3)cc2)CC1,QATSMPGZISNQRY-UHFFFAOYSA-N
rxn:4:202242:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)cc3)cc2)CC1,QATSMPGZISNQRY-UNWRIRMBSA-N
rxn:4:202290:225089,CCCCCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4CCC(OC)C4)CC3)cc2)c(F)c1F,NYWPDMZQKWNGGI-UHFFFAOYSA-N
rxn:4:202290:227086,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCC5)c4)cc3)CC2)C1,BXLFYDLRYVGIQM-UHFFFAOYSA-N
rxn:4:202306:223786,CCN1CCN(Cc2cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc(C(C)(C)C)c2)CC1,VGHSHYOFPLAXKW-UHFFFAOYSA-N
rxn:4:202306:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,NWEASVHQPYDOMR-YOCNBXQISA-N
rxn:4:202306:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,NWFNIXJTLNTSDG-DUYHBEBVSA-N
rxn:4:202310:222466,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1)N1CCCSCC1CN1CCOCC1,DYKWTXFMRHOGEC-UHFFFAOYSA-N
rxn:4:202310:224991,O=S(=O)(c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1)N1CCCSCC1CN1CCOCC1,HPVVZKXAYLECRM-UHFFFAOYSA-N
rxn:4:202318:224391,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)oc2N2CCOCC2)cc1,DAGSQTDWZXAMIZ-UHFFFAOYSA-N
rxn:4:202327:226792,CN(Cc1ccc(-c2cnc(N3CCOCC3)nc2)cc1N1CCOCC1)C1CCCCC1,VQZUXAYWQAEZFB-UHFFFAOYSA-N
rxn:4:202330:223844,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,ODGULTOSSMXMEQ-UHFFFAOYSA-N
rxn:4:202461:223902,CC1CCN(CCOc2ccc(-c3ccc4c(c3)c(C(F)(F)F)nn4C(=O)OC(C)(C)C)cc2F)CC1,MGILGCTUIDYJRW-UHFFFAOYSA-N
rxn:4:202540:223835,CCOC(=O)c1cnc2c(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cccc2c1N1CCOCC1,XKSRAFKKYIRIEA-UHFFFAOYSA-N
rxn:4:202540:224397,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cccc2c1N1CCOCC1,CYGFQPRZZFGCHC-UHFFFAOYSA-N
rxn:4:202564:225519,CCOC(=O)CCc1ccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)cc1,ULTFDKNNJWTQSK-UHFFFAOYSA-N
rxn:4:202686:227489,CCOC(=O)N1CCC(N2Cc3cc(-c4cnc(N(C)C)c(C#N)c4)ccc3OCC2=O)CC1,GQGGWHVLZZNOHK-UHFFFAOYSA-N
rxn:4:202712:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,PILFDYMILSVLEL-NRFANRHFSA-N
rxn:4:202712:226567,COC(=O)C(=O)c1ccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)cc1,GNSYECATYZDIJK-NRFANRHFSA-N
rxn:4:202713:228340,COc1nc(C2CC2)sc1-c1ccc2c(c1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O,ZBSMKWDTMSZSQY-UHFFFAOYSA-N
rxn:4:202714:223774,COc1cccc2c1cc(-c1ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c1)n2C(=O)OC(C)(C)C,CAJKJCJAJBHBAK-UHFFFAOYSA-N
rxn:4:202754:223491,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)ccc32)CC1,YOELRYGMWLYHCJ-UHFFFAOYSA-N
rxn:4:202754:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CCCN2C1CCN(C(=O)OC(C)(C)C)CC1,HWECDJCXVFSEJW-UHFFFAOYSA-N
rxn:4:202754:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc2c(c1)CCCN2C1CCN(C(=O)OC(C)(C)C)CC1,VEDFSZYILSKLLK-UHFFFAOYSA-N
rxn:4:202989:223606,COC(=O)Cc1nn(C)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,JHYDLAZJZDIILW-UHFFFAOYSA-N
rxn:4:203133:223696,COC(=O)C(C)(C)n1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,RRFCFRVJYMPQIR-UHFFFAOYSA-N
rxn:4:203545:225407,O=C(c1ccc(-c2ccc(C3CCCCCC3)cc2)o1)N1CC(N2C(=O)CSC2=O)C1,ORZUKBMQMBTFSS-UHFFFAOYSA-N
rxn:4:203638:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,WTXVWKCRYNTNEL-UHFFFAOYSA-N
rxn:4:203673:222389,N#CC1CCN(Cc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2Cl)CC1,GWOWNNFQDVHINP-UHFFFAOYSA-N
rxn:4:203684:222729,CCCc1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2OC)cc(C2CCCNC2)n1,KJTHELVRYKQUPB-UHFFFAOYSA-N
rxn:4:203708:225342,CN(C)C(=O)c1cc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc([N+](=O)[O-])c1,FJVOASQNLWUMTD-UHFFFAOYSA-N
rxn:4:203712:224022,O=S(=O)(c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)N1C=CC(C(F)(F)F)=NCC1,AKXZMAAOXDOCOH-UHFFFAOYSA-N
rxn:4:203786:224330,O=C1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CC(N5C(=O)CCC5=O)C4)c3)ccc2Cl)CC1,XVAXEUUVFSTPNP-UHFFFAOYSA-N
rxn:4:203790:224817,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)ccc1Cl)N1CC(N2C(=O)CCC2=O)C1,ZXSPWKHVSMXLFC-UHFFFAOYSA-N
rxn:4:203817:224572,CCN1CCN(C(=O)c2ccc(-c3ccc(N4CCCC(C)C4)cc3C#N)c(Cl)c2)CC1,LBCAGQKSSTYXPZ-UHFFFAOYSA-N
rxn:4:203833:225159,O=C(c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1)N1CCOCC1,WUZLXWVWMFDXTQ-UHFFFAOYSA-N
rxn:4:203833:227804,O=C(c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])o1)N1CCC(N2C(=O)CSC2=O)CC1,SVTNSQBQUZXVJJ-UHFFFAOYSA-N
rxn:4:203885:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,PQHUVRJMZZUVRN-UHFFFAOYSA-N
rxn:4:203897:223831,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1,UYKXDSCIXHUQHP-UHFFFAOYSA-N
rxn:4:203904:223867,COc1cc(-c2cccc(OCCCN3CCC(C)CC3)c2)cc(C(=O)N2CCN(C)CC2)c1F,DWMFZOBELZICHN-UHFFFAOYSA-N
rxn:4:203914:223057,CN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)c(C(F)(F)F)c2)CC1,KWOPOFMYZOUUOT-UHFFFAOYSA-N
rxn:4:203915:225873,O=C1COCCN1c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)c1,FESNHRICGKHJBN-UHFFFAOYSA-N
rxn:4:203937:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)cc2C1,AGEDCPOUMGSTEC-UHFFFAOYSA-N
rxn:4:203939:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1,USUDOLAFPSTGJF-UHFFFAOYSA-N
rxn:4:203972:225320,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)c(C)c2)CC1,NMMLSQIOXHPHQM-UHFFFAOYSA-N
rxn:4:203985:223979,O=C(c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc([N+](=O)[O-])c1)N1CCCCC1,KYTPFHQKEUFSKM-UHFFFAOYSA-N
rxn:4:203985:225407,O=C(c1ccccc1-c1ccc(C2CCCCCC2)cc1)N1CCC(N2C(=O)COC2=O)CC1,BJZNMSYCXNMBES-UHFFFAOYSA-N
rxn:4:203985:226258,CCCOC(=O)c1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,IFHZGSQXFXOXMA-UHFFFAOYSA-N
rxn:4:203985:226779,O=C(c1ccccc1-c1ccc(C(=O)C(F)(F)F)cc1)N1CCC(N2C(=O)COC2=O)CC1,GCJUUQQUZUWLSY-UHFFFAOYSA-N
rxn:4:203987:228150,COC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1,MRLMZDVJDQXSNB-UHFFFAOYSA-N
rxn:4:204000:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)cc2)CC1,WTOZRQMKSZXSFX-DUYHBEBVSA-N
rxn:4:204030:224820,CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,HEUZBFNVAZKMSR-UHFFFAOYSA-N
rxn:4:204057:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)ccn2)CC1,XRWLAQXECKQJLO-UHFFFAOYSA-N
rxn:4:204064:222846,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1cc(C2CCCNC2)ccc1C#N,RSPGNRFFNTYZLS-UHFFFAOYSA-N
rxn:4:204064:222850,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1cc(C2CCNCC2)ccc1C#N,WLOOGCMLQQDBJO-UHFFFAOYSA-N
rxn:4:204064:222886,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1ccc(N2CCNCC2)cc1C#N,ZBMSCFOBLXRJSW-UHFFFAOYSA-N
rxn:4:204082:225342,CN(C)C(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc([N+](=O)[O-])c1,BBITZXVNMHZNEO-UHFFFAOYSA-N
rxn:4:204082:227507,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,OACMHZKRIQOLLL-UHFFFAOYSA-N
rxn:4:204082:227700,COc1ccc([N+](=O)[O-])c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,NIDHZJHAEVSDKI-UHFFFAOYSA-N
rxn:4:204082:228396,COc1cc(F)c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c(F)c1,WOSSNRWLGSPMEG-UHFFFAOYSA-N
rxn:4:204082:228491,Cn1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c(=O)n(C)c1=O,FXBSZNLRMFSXHQ-UHFFFAOYSA-N
rxn:4:204109:223992,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1S(=O)(=O)N1CCN(C)CC1,WQEHXQCKGDLOBK-UHFFFAOYSA-N
rxn:4:204109:224330,O=C1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)ccc2Cl)CC1,BVTVWIZEFMEVJE-UHFFFAOYSA-N
rxn:4:204109:225155,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1)N1CCOCC1,OCLVOXXICOVOSD-UHFFFAOYSA-N
rxn:4:204109:226563,COC(=O)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1F,LLDHBKASUNZXFA-UHFFFAOYSA-N
rxn:4:204109:227029,CC(C)(C#N)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,CORKMRZHEWACOB-UHFFFAOYSA-N
rxn:4:204109:228904,COc1ccnc(Cl)c1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,LZLOLEHOTSXOCG-UHFFFAOYSA-N
rxn:4:204134:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCCN(C4CCOC4)CC3)cc2)CC1,RDRUNPFZIQJECD-UHFFFAOYSA-N
rxn:4:204140:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,SQORRKGUPYONQF-UHFFFAOYSA-N
rxn:4:204140:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,PSYQDULYPAUDEI-YOCNBXQISA-N
rxn:4:204153:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)c2)CC1,HLZJEAJSSOZRPX-UHFFFAOYSA-N
rxn:4:204168:226560,CCOc1cc(F)c(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)cc1OC,HQAZWCKXKDRZPK-UHFFFAOYSA-N
rxn:4:204186:225947,Cc1cccc(N2CCN(S(=O)(=O)c3c(C)cc(C)c(-c4cnc(N5CCN(C)CC5)nc4)c3C)CC2)c1C,SCEORMPRAXICKZ-UHFFFAOYSA-N
rxn:4:204597:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,FJBSQZGMMNFKIM-UHFFFAOYSA-N
rxn:4:204603:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc2c1CCN(C(=O)OC(C)(C)C)C2,DDPSAXOLCNFMOD-UHFFFAOYSA-N
rxn:4:204682:223937,Cc1cc2c(c(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)n1)CN(C(=O)OC(C)(C)C)CC2,BLTIXLHCCDCTQK-UHFFFAOYSA-N
rxn:4:204683:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)c2C1,YKGKORIBBKQEQA-UHFFFAOYSA-N
rxn:4:205233:223539,COC(=O)c1ncn(C)c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,MBAYNYNDCBDQLK-UHFFFAOYSA-N
rxn:4:205897:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3nc(C(=O)N4CCOCC4)cs3)cc2)CC1,ZDDNTWVJJUXYAR-UHFFFAOYSA-N
rxn:4:206422:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3c(C4CCOCC4)ccnc3C#N)c2)CC1,ZGGZRXMSHBPJEB-UHFFFAOYSA-N
rxn:4:206456:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc([N+](=O)[O-])c(N3CCC(F)(F)C3)c2)cc1,PRMWWLPLGFQVRX-WGSAOQKQSA-N
rxn:4:206814:225189,O=C1CCC(=O)N1Cc1cccc(-c2ccc(N3C(=O)CC(=O)N(C4CC4)C3=O)cc2)c1,ICOJSBYSXCSYDU-UHFFFAOYSA-N
rxn:4:206896:223608,CC(C)c1nc(N2CCCCC2)sc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,WUKLJJTYEUXFNH-UHFFFAOYSA-N
rxn:4:206948:224327,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)n2)CC1,VBUDEDZAUFVBRZ-UHFFFAOYSA-N
rxn:4:206957:222722,CC1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,WMTLQNSTBFTYBY-UHFFFAOYSA-N
rxn:4:206960:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)cc21,QOVOILVDPMKPEO-UHFFFAOYSA-N
rxn:4:206991:223490,Cc1ccc(-c2ccc(N3CS(=O)(=O)C(=CN(C)C)C3=O)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PNRLZUJZWOGYMN-UHFFFAOYSA-N
rxn:4:207282:223602,COC(=O)c1nn2c(c1-c1ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c1Cl)CCC2,JZBPOYXHEOWNLC-UHFFFAOYSA-N
rxn:4:207315:223748,COC(=O)c1nc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)n2c1COCC2,QWFMXKCRKHMJNI-UHFFFAOYSA-N
rxn:4:207796:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1,ZGQSBBFLOTYAFJ-UHFFFAOYSA-N
rxn:4:207946:222927,COc1cc(-c2cnc(N3CCCCC3O)nc2C)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ZYKIXJMULMHERZ-UHFFFAOYSA-N
rxn:4:207946:223294,COc1cc(-c2csc(N3CCNCC3)n2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,GUZZQOSLZYKRJF-UHFFFAOYSA-N
rxn:4:209218:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1noc(C2(C)CCOC2)n1,FEIVRVLGPMDEQB-UHFFFAOYSA-N
rxn:4:209646:223588,Cc1cc(-c2cnn(C3CCCCC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OPKWTOMVBHICSU-UHFFFAOYSA-N
rxn:4:209760:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCCC2)nc1Cl,POMKSGQSUQMVBG-UHFFFAOYSA-N
rxn:4:209829:223823,CC1CCCN(c2ccnc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1,YCXUDUWJBKPSNE-UHFFFAOYSA-N
rxn:4:209895:224371,COC(=O)C1CCN(c2ncc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cn2)CC1,INXCKKRIKNFZEB-UHFFFAOYSA-N
rxn:4:211097:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,NBWOUTJCNHXXNA-UHFFFAOYSA-N
rxn:4:211098:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(F)cc3)=NN1C1(CCCC1)O2,PRJKBUUPCHIZEL-UHFFFAOYSA-N
rxn:4:211100:226464,COc1ccc2c(c1-c1ccc3c(c1)C1CC(c4ccc(Cl)cc4)=NN1C1(CCC(C)CC1)O3)OCCO2,QGLDRNIDWHYUCX-UHFFFAOYSA-N
rxn:4:211261:223482,Cc1cnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C)n1,VTCMDPVZYRQPTM-UHFFFAOYSA-N
rxn:4:211356:223492,Cc1cc(-c2cnn3c2OCC3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCNQXMMMBUFLRJ-UHFFFAOYSA-N
rxn:4:212492:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)CCc3cccnc3C4=C3CCN(C)CC3)cc2Cl)CC1,KOBFDXURJDEPDT-UHFFFAOYSA-N
rxn:4:212513:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ncc([N+](=O)[O-])n3COCC[Si](C)(C)C)c2)CC1,JVNPHQPDGNIWDY-UHFFFAOYSA-N
rxn:4:212514:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cn(COCC[Si](C)(C)C)c([N+](=O)[O-])n1,OXQUJJRABIIRGD-UHFFFAOYSA-N
rxn:4:212524:225295,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,WMUZZIZBBXQBDC-UHFFFAOYSA-N
rxn:4:212571:223504,Cn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,RMIXSBRLXSMJQE-UHFFFAOYSA-N
rxn:4:212593:223975,CN(C(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)nc1)C1CN(C(=O)OC(C)(C)C)C1,ZQLXIJKIXXAKQH-UHFFFAOYSA-N
rxn:4:212593:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,HCOZSAZGYYXOON-UHFFFAOYSA-N
rxn:4:212605:223939,Cn1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,KRQSDETYXSVNEK-UHFFFAOYSA-N
rxn:4:212605:225534,CCN(CC)Cc1ccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)cc1Cl,HYQOQYAGNRZNKL-UHFFFAOYSA-N
rxn:4:212618:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)c(F)c2)CC1,BENBTXCUKSRGNC-ANRZFKABSA-N
rxn:4:212619:223189,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(NS(C)(=O)=O)cc3F)cn2)C1,DMSLCCNBVISIGC-UHFFFAOYSA-N
rxn:4:212619:223520,CC(c1ccc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FUNJXPMSUAQSBS-UHFFFAOYSA-N
rxn:4:212647:223652,COc1ccc(Cl)c2cc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)n(C(=O)OC(C)(C)C)c12,OPEXXZJYCPCLAS-UHFFFAOYSA-N
rxn:4:212647:225093,CCCOc1c(Cl)cc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)cc1OCC,QURHDEWOBUCKGH-UHFFFAOYSA-N
rxn:4:212651:223650,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,VEBUDWLTYBFOQW-UHFFFAOYSA-N
rxn:4:212652:223939,COC(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HQLOVDRIZUGDQH-UHFFFAOYSA-N
rxn:4:212652:224290,COC(=O)c1cc(-c2ccc(Cl)cc2OCCN2CCOCC2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DRFPLMYVTULSRA-UHFFFAOYSA-N
rxn:4:212653:223504,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,QGZZVHRFXCLNNQ-UHFFFAOYSA-N
rxn:4:212653:224180,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2OCCN2CCN(C)CC2)n1,GOMHIROPRCTVGS-UHFFFAOYSA-N
rxn:4:212653:225312,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCCN(C)CC3)nc2)n1,HHKBEURATJDVHA-UHFFFAOYSA-N
rxn:4:212658:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(=O)OC)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,QKLMMKYFFYMFQC-RQNOJGIXSA-N
rxn:4:212675:223575,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-],AJLHBFVEWIADPR-UHFFFAOYSA-N
rxn:4:212692:222791,CC1CN(C(=O)Cc2cncc(-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)c2)CCN1C(=O)OC(C)(C)C,UVRRTZNWVZTGSX-UHFFFAOYSA-N
rxn:4:212693:226268,CCCOc1c(SC)cccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c1,XFADULZWEWPPGZ-UHFFFAOYSA-N
rxn:4:212693:226511,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cc(Cl)cnc2OCC2CC2)c1,QWPIUGPPQNECPI-UHFFFAOYSA-N
rxn:4:212704:223525,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,XYUXYNLEQMXOSL-UHFFFAOYSA-N
rxn:4:212723:224398,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4)CC3)n2)cc1,SVGSEGNALGBNQI-UHFFFAOYSA-N
rxn:4:212731:222851,CCc1cc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cc(OC)cc(OC)c5)no4)C3)cc2)cc(C2CCNCC2)n1,HNYPBRPVOYFIRD-UHFFFAOYSA-N
rxn:4:212741:222790,CC1CN(Cc2ccc(-c3cc(Cl)cc(NC(=O)OC(C)(C)C)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,UOYUYLMUCLGJAJ-UHFFFAOYSA-N
rxn:4:212741:224290,CC1CN(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,QQIBTBDJJJBOQK-UHFFFAOYSA-N
rxn:4:212747:223528,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCOCC1,HASAEJALSWRSKB-UHFFFAOYSA-N
rxn:4:212750:223491,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1N1CCCCC1,YTTYTPGOQXEUOB-UHFFFAOYSA-N
rxn:4:212750:223575,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1N1CCCCC1,LTSNATFTACXOLI-UHFFFAOYSA-N
rxn:4:212770:225227,CCOC(=O)c1nn2c(c1-c1cnc(N3CCC(C)CC3)c(Cl)c1)CN(C(=O)OC(C)(C)C)CC2,QWTMLAVMHNAVQP-UHFFFAOYSA-N
rxn:4:212770:225877,CCOC(=O)c1nn2c(c1-c1ccc(Cl)cc1N1CCOCC1)CN(C(=O)OC(C)(C)C)CC2,TYIMRPHRQRVARL-UHFFFAOYSA-N
rxn:4:212791:227489,CCOC(=O)c1nn2c(c1-c1cnc(N(C)C)c(C#N)c1)CN(C(=O)OC(C)(C)C)CCC2,GNTUDAXXJDXOED-UHFFFAOYSA-N
rxn:4:212814:229327,Cn1nncc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,VLLNXILSIRAVHD-UHFFFAOYSA-N
rxn:4:212816:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCc5c[nH]c6ccccc56)CC4)cc3)ccn2)CC1,CWYYDXYHKKGADT-UHFFFAOYSA-N
rxn:4:212816:225312,CN1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCc5c[nH]c6ccccc56)CC4)cc3)cn2)CC1,XILCTAZYAHHFNO-UHFFFAOYSA-N
rxn:4:212822:223697,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cc43)CC2)cc1,OJGPQWCYTUOZTP-UHFFFAOYSA-N
rxn:4:212829:223106,CN(C(=O)c1cc2cc(-c3cnc(N4CCC(O)C4)nc3Cl)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,DJSAIMBNLKHVAZ-UHFFFAOYSA-N
rxn:4:212829:224124,Cc1cc(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cnc1N(C)Cc1ccccc1,JRNYLZQHQRKXAQ-UHFFFAOYSA-N
rxn:4:212906:223935,CC(C)(C)OC(=O)N1CC(Oc2cncc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)n2)C1,BZXJPIHNKXIGMX-UHFFFAOYSA-N
rxn:4:212937:224746,CCOC(=O)c1c(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c(CN2CCOCC2)nn1C,GRLQALFLONMVFD-UHFFFAOYSA-N
rxn:4:212939:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)c2Cl)CC1,NOHAHBYIRQKDJA-UHFFFAOYSA-N
rxn:4:212939:223933,CC(C)(C)OC(=O)N1CC(Cc2ncc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cn2)C1,TXXGTAHCAKCGOD-UHFFFAOYSA-N
rxn:4:212942:223493,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cn2)C1,XEBANTYEGRNFLI-UHFFFAOYSA-N
rxn:4:212942:223499,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,KANNBIXGJWUHNE-UHFFFAOYSA-N
rxn:4:212944:223492,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)CC1,KRGZPPTXJUFNSE-UHFFFAOYSA-N
rxn:4:212944:226714,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccnn2C(=O)OC(C)(C)C)CC1,DERCTBWZQSZBRU-UHFFFAOYSA-N
rxn:4:212964:224272,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cn2)C1,YUMMIYZSZDCKIX-UHFFFAOYSA-N
rxn:4:212964:225297,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)C1,AGASQQWFUXMTFH-UHFFFAOYSA-N
rxn:4:212966:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C1,VGTKFLNBJMUFJV-UHFFFAOYSA-N
rxn:4:213040:224272,Cc1nc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,TZMPBTWDRJEMID-UHFFFAOYSA-N
rxn:4:213041:223646,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,ASEJOYQRODEELU-UHFFFAOYSA-N
rxn:4:213041:223777,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,ZEQCRYFIWXEHQQ-UHFFFAOYSA-N
rxn:4:213041:225294,CCN1CCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,NCJNOCGRPSIWKC-UHFFFAOYSA-N
rxn:4:213042:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2)C1,WHWRKHKZJPLGSW-UHFFFAOYSA-N
rxn:4:213079:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,BSTBLGHVVSANIA-UHFFFAOYSA-N
rxn:4:213079:225665,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3N3CCCCC3)nc2)CC1,HVGMTEFXDFAWBK-UHFFFAOYSA-N
rxn:4:213092:223505,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,XOCFJGPHTNNZPD-UHFFFAOYSA-N
rxn:4:213092:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)cnc1Cl,QVPGDDBJNQZJLK-UHFFFAOYSA-N
rxn:4:213093:225232,CC1CCN(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2Cl)CC1,KEUTWGQDXKCCQM-UHFFFAOYSA-N
rxn:4:213094:223480,Cc1cc(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PCLNMVLJDKUARO-UHFFFAOYSA-N
rxn:4:213094:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,TVBDADNESFHILC-UHFFFAOYSA-N
rxn:4:213094:223775,COc1ccc2c(c1)c(-c1cccc(C#N)c1N1CCN(C(=O)OC(C)(C)C)CC1)cn2C(=O)OC(C)(C)C,KGSRZSKAYBYQOA-UHFFFAOYSA-N
rxn:4:213100:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)(F)F,MMCFZXACTOTSCQ-UHFFFAOYSA-N
rxn:4:213109:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,YWNMUGCWDXUFHD-UHFFFAOYSA-N
rxn:4:213126:223687,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nc2)CC1,HPKJCIWEVZUOAJ-UHFFFAOYSA-N
rxn:4:213126:223904,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)nc2)CC1,NRNLVDLKTROIBQ-UHFFFAOYSA-N
rxn:4:213128:223687,COc1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,PGKIKDGWKOOMJX-UHFFFAOYSA-N
rxn:4:213143:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,NNWVJCAHDRJNGT-UHFFFAOYSA-N
rxn:4:213174:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)cc2)CC1,BBBGAEZIRLMCKX-FBSWEULCSA-N
rxn:4:213220:224653,CC1CN(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,PDNNILKITWMIQN-UHFFFAOYSA-N
rxn:4:213225:223937,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc2)[nH]1,VBWFIYTWSVYSIJ-DEOSSOPVSA-N
rxn:4:213236:223832,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4OC)cn3)C2)cc1C,UGUIOEZNGJILGA-UHFFFAOYSA-N
rxn:4:213243:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,KESXDFWJSGXMNK-UNWRIRMBSA-N
rxn:4:213275:222621,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(CC(C)C)nc(C5CCCNC5)c4)no3)CC2)cc1,RAGIOWHITXQEMS-UHFFFAOYSA-N
rxn:4:213320:223045,COC(=O)c1nc(-c2cc(C(=O)NC(C)C)ccc2F)n2c1CN(C(=O)OC(C)(C)C)CC2,RLUVCYSSYCKMTO-UHFFFAOYSA-N
rxn:4:213320:223775,COC(=O)c1nc(-c2cn(C(=O)OC(C)(C)C)c3ccc(OC)cc23)n2c1CN(C(=O)OC(C)(C)C)CC2,BJDDFSBHUZLDNL-UHFFFAOYSA-N
rxn:4:213320:224818,COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)n2c1CN(C(=O)OC(C)(C)C)CC2,XGSNFZVYWWIRDY-UHFFFAOYSA-N
rxn:4:213354:223492,Cc1cc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZPBUQBSPOVQHDH-UHFFFAOYSA-N
rxn:4:213354:224277,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cn1)C2,XHCQHFSVAKCGNH-UHFFFAOYSA-N
rxn:4:213388:223761,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)ccnc32)CC1,CAZWPCFZZKCTES-UHFFFAOYSA-N
rxn:4:213428:223581,COC(=O)c1cccc2cc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)n(C(=O)OC(C)(C)C)c12,KCFZIKSTYAWOQE-LJAQVGFWSA-N
rxn:4:213458:227896,COc1ccc(-c2ccccc2C=CC#N)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,BWZVRTNVQUKZRO-JFHPUIQFSA-N
rxn:4:213545:224326,Cc1cc(-c2cnn(CC3CN(CC(F)(F)F)C3)c2)ccc1S(=O)(=O)N1CCCCC1,RVDMGFYPYDXZKQ-UHFFFAOYSA-N
rxn:4:213658:224761,O=C(C1CCCO1)N1CC(Cn2cc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,MMSWRPUCERFHTA-UHFFFAOYSA-N
rxn:4:213659:223520,CCOC(=O)C1CCCN(c2ncc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)C1,QDZNAIYFIKNLTF-UHFFFAOYSA-N
rxn:4:213659:223590,CCOC(=O)C1CCCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cn2)C1,DKSQEAAWZZFFQT-UHFFFAOYSA-N
rxn:4:213663:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,QAADXCPHBUHHCL-UHFFFAOYSA-N
rxn:4:213767:224268,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)o2)CC1,KGDIUCHBILCJDM-UHFFFAOYSA-N
rxn:4:213770:223739,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)cn2)C1,GZSWNWOYSDGHPH-UHFFFAOYSA-N
rxn:4:213799:223775,COc1ccc2c(c1)c(-c1cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn1)cn2C(=O)OC(C)(C)C,JCHZOQSDQPJRLV-UHFFFAOYSA-N
rxn:4:213800:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ncn3)cc2C1,CTJBEWRQJLPEMD-UHFFFAOYSA-N
rxn:4:213801:224268,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)n2)C1,SEGONQIVFXHHSQ-UHFFFAOYSA-N
rxn:4:213805:223937,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cn2)C1,RBWSRHRCMFTPEI-UHFFFAOYSA-N
rxn:4:213828:224904,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc1)C1CCCCC1,SABDTWVZEOYJSX-UHFFFAOYSA-N
rxn:4:213833:225296,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1,TWFKXEYFOWZAMY-UHFFFAOYSA-N
rxn:4:213834:223934,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cn2)C1,XBTXNFQVDLHTJC-UHFFFAOYSA-N
rxn:4:213835:224371,COC(=O)C1CCN(c2ncc(-c3ccnn3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,IZEGXWPSKAYOKI-UHFFFAOYSA-N
rxn:4:213836:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)CC1,QTIBDQKQCDLYKK-UHFFFAOYSA-N
rxn:4:213874:224161,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccn2)CC1,UCKDERWAPPKTRB-UHFFFAOYSA-N
rxn:4:213880:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,SXAIWJFGSDFUIU-UHFFFAOYSA-N
rxn:4:213880:224720,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)CC1,PATPKSRHLAARKK-UHFFFAOYSA-N
rxn:4:213884:226502,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccn(C(=O)OC(C)(C)C)c3)n2)CC1,CLPTUHWCISRMHW-UHFFFAOYSA-N
rxn:4:213884:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CVASILDARQFULO-UHFFFAOYSA-N
rxn:4:213886:223533,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n2)CC1,DBDCRVXOBXZJPQ-UHFFFAOYSA-N
rxn:4:213892:223774,COc1cccc2c1cc(-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1)n2C(=O)OC(C)(C)C,CBFDQKBLWYQSBL-UHFFFAOYSA-N
rxn:4:213895:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCCN4C(=O)OC(C)(C)C)nc3)cc2)CC1,HKTVPXQFBJAHKX-UHFFFAOYSA-N
rxn:4:213896:223498,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,MJZUWIVLYGJRGR-UHFFFAOYSA-N
rxn:4:213896:223818,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)CC1,JORPSVAELXWVMF-UHFFFAOYSA-N
rxn:4:213897:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,BUYNCWUXRGIQDP-UHFFFAOYSA-N
rxn:4:213902:224274,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cc2F)CC1,WTAKDPBICLJFME-UHFFFAOYSA-N
rxn:4:213906:224323,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCCC1,XWSSJIDBZFXMNA-UHFFFAOYSA-N
rxn:4:213920:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc([N+](=O)[O-])c2N2CCN(Cc3ccccc3)CC2)cnc1Cl,PZUJMAWMNJYQIF-UHFFFAOYSA-N
rxn:4:213933:228196,Cc1ncnc(C2CC2)c1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,QPHABQYEIMWBDK-UHFFFAOYSA-N
rxn:4:213938:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,BDWQTKFQAHGPDS-UHFFFAOYSA-N
rxn:4:213940:223774,COc1cccc2c1cc(-c1cnn(C)c1C1CCCN(C(=O)OC(C)(C)C)C1)n2C(=O)OC(C)(C)C,FRLOSPIXKDFYRC-UHFFFAOYSA-N
rxn:4:213945:223579,CC1CN(C(=O)OC(C)(C)C)CCC1n1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1,HXNIRDRUWBUJOK-UHFFFAOYSA-N
rxn:4:213945:224371,COC(=O)C1CCN(c2ncc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4C)cn3)cn2)CC1,JMSRYDYIWXPQGJ-UHFFFAOYSA-N
rxn:4:213946:227613,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cnn(C3CCOCC3)c2)cn1,AVJPMJDYMNUNNE-UHFFFAOYSA-N
rxn:4:213982:223504,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ncn1,WRHUNSHQSOPPHP-UHFFFAOYSA-N
rxn:4:213985:225947,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCN(C)CC3)nc2)c1,YFEGSHQKMMWJCL-UHFFFAOYSA-N
rxn:4:213987:227390,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnn1C1CCCCC1,CDUHUNJCHPXXHT-UHFFFAOYSA-N
rxn:4:214000:223748,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1F,SZXCRVNCOSWWAJ-UHFFFAOYSA-N
rxn:4:214010:225731,CCOC(=O)c1ccc(-c2ccccc2C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c(OC)c1,IJTBGBFDTOWAMX-UHFFFAOYSA-N
rxn:4:214038:222537,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)C2)cc1C,RILGKNFFXIQCEX-UHFFFAOYSA-N
rxn:4:214038:223505,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)cc1C,YNCIZORDWOLDSB-UHFFFAOYSA-N
rxn:4:214038:224811,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cn3)C2)cc1C,OJRCZMDPXGQJBW-UHFFFAOYSA-N
rxn:4:214047:222596,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1,ABALQLZNCMWZKF-UHFFFAOYSA-N
rxn:4:214048:223591,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OFCKLYXHTBEURC-UHFFFAOYSA-N
rxn:4:214048:223602,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,OLABFMCMDIYUSF-UHFFFAOYSA-N
rxn:4:214048:227549,COC(=O)c1cc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1C,WZPRRLBZIMEBQK-UHFFFAOYSA-N
rxn:4:214050:223575,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,ZLKTWXKFLJNNAW-PKTZIBPZSA-N
rxn:4:214054:226000,CC(=O)Oc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1[N+](=O)[O-],OQJKBTMOQVFNQT-UHFFFAOYSA-N
rxn:4:214065:222465,Cc1nn(C(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,AOJGKXQNXYEWDM-UHFFFAOYSA-N
rxn:4:214135:225313,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCN(C)CC3)nc2F)nc2n1CCOC2,XDAYOTNBPNIRMT-UHFFFAOYSA-N
rxn:4:214144:225312,CN1CCCN(c2ncc(-c3c(C#N)cnc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,ZQSCMSNZSVDZSC-UHFFFAOYSA-N
rxn:4:214145:224476,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc4c(c3)ncn4C3CCCCC3)c2C1,GBMQLFSFEAPZIS-UHFFFAOYSA-N
rxn:4:214145:226364,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(N4CCCCC4)nc3)c2C1,XLFUXZIJJCYKBL-UHFFFAOYSA-N
rxn:4:214185:227807,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cccc4c3CCCC4)c2C1,SXAKUSOLMWTLKQ-UHFFFAOYSA-N
rxn:4:214185:228653,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnn4c3CCCC4)c2C1,WJIUNUSATUEHIC-UHFFFAOYSA-N
rxn:4:214201:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2)CC1,RDUABDSKZGPQNF-UHFFFAOYSA-N
rxn:4:214201:224963,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cccc(COC4CCOCC4)c3)cn1)C2,LUBNZJRVMPLLOZ-UHFFFAOYSA-N
rxn:4:214229:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cn2)CC1,FARPPDOVXBTTRA-UHFFFAOYSA-N
rxn:4:214230:223593,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc23)CC1,GOLYPUWBQDTFJV-UHFFFAOYSA-N
rxn:4:214236:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)c(F)cn2)CC1,AMYMQLQTMBKDMF-UHFFFAOYSA-N
rxn:4:214236:223788,CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)C1,DVKPCUIQIYWZTL-UHFFFAOYSA-N
rxn:4:214274:225876,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cc(Cl)ccc4N4CCOCC4)cccc32)CC1,RSNJWGQSYARSDK-UHFFFAOYSA-N
rxn:4:214275:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)cn1,WRSXLPXVMFDQQG-UHFFFAOYSA-N
rxn:4:214276:223526,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc3[nH]2)CC1,RFBWGDFRONRIFO-UHFFFAOYSA-N
rxn:4:214276:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,CTCUPQAOQDQZAU-UHFFFAOYSA-N
rxn:4:214276:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,BFHLJIZEXZGZOG-UHFFFAOYSA-N
rxn:4:214277:224278,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)cc32)CC1,UHUGBBKWXRXGPR-UHFFFAOYSA-N
rxn:4:214292:224326,Cc1cc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)ccc1S(=O)(=O)N1CCCCC1,UDVFBWYIEKQRST-OBTVHEKISA-N
rxn:4:214296:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4nccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,WSXGGOSVWLXJIR-UHFFFAOYSA-N
rxn:4:214304:224371,COC(=O)C1CCN(c2ncc(-c3nn(C4CCOCC4)c4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,YDGRBZYIOKUOHB-UHFFFAOYSA-N
rxn:4:214304:228324,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(OC)cn1,ZTEPLCMKZLAXTI-UHFFFAOYSA-N
rxn:4:214304:228416,COc1cc(F)cc(F)c1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,DRCGJLBYSNZTTB-UHFFFAOYSA-N
rxn:4:214304:228728,COc1ncc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1C,VFXQMEPIKKDNIF-UHFFFAOYSA-N
rxn:4:214334:224624,CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)CC1,ODBMLUVXCWEEKX-UHFFFAOYSA-N
rxn:4:214632:223595,COC(=O)C1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,GNVUZAZFNFVAKM-UHFFFAOYSA-N
rxn:4:214703:223993,Cc1cc(-c2cc(CN3CCN(C)CC3)cc([N+](=O)[O-])c2)ccc1S(=O)(=O)N1CCN(C)CC1,CKBVRLXUSDMJAE-UHFFFAOYSA-N
rxn:4:214734:222447,COc1ccc2c(c1-c1cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c1)N=C(NC(=O)OC(C)(C)C)C2,OVUPIDDYYJAYBE-UHFFFAOYSA-N
rxn:4:214853:222999,N#Cc1c(-c2cc(Cl)cc(C3CCCNC3)c2)cccc1N1CCN(C2CCCC2)CC1,HNJRGYATLSKCAL-UHFFFAOYSA-N
rxn:4:214853:225215,CC1CCN(c2nccc(-c3cccc(N4CCN(C5CCCC5)CC4)c3C#N)c2Cl)CC1,YBVSASBCIJUFCQ-UHFFFAOYSA-N
rxn:4:214853:225218,CC1CCCN(c2ncc(-c3cccc(N4CCN(C5CCCC5)CC4)c3C#N)cc2Cl)C1,ZVQBFSRXYDHHQW-UHFFFAOYSA-N
rxn:4:214871:222630,O=C(C1CCCN(c2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2Cl)C1)N1CCOCC1,WDMYHRNBYCEYGW-UHFFFAOYSA-N
rxn:4:214894:226432,CN1CCN(Cc2ccc(-c3ccc(C4CCCC4)nc3F)cc2N2CCOCC2)CC1,RLXYKZPGWYSPLK-UHFFFAOYSA-N
rxn:4:215054:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)CC1,XQGPJMWLQHMXEG-UHFFFAOYSA-N
rxn:4:215058:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)c1,XUILKOPIMVBATQ-UHFFFAOYSA-N
rxn:4:215064:224690,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(CN4CCC(=O)CC4)cc3F)[nH]c2C1,PRCOGPYUGFSWCG-UHFFFAOYSA-N
rxn:4:215065:224834,CN(C)S(=O)(=O)n1cc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,UGHIGSNDQRCBGR-UHFFFAOYSA-N
rxn:4:215081:224375,COC(=O)c1nn(C2CCCCO2)c2ncc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc12,HIWANUSGTMIAJG-UHFFFAOYSA-N
rxn:4:215099:224846,CCC1CCC(c2ccc(-c3cnn4c3CN(C(=O)OC(C)(C)C)[C@H](C)C4)cc2)CC1,PBBGYBQWLSSXJO-XEVCZEQESA-N
rxn:4:215099:224882,C[C@@H]1Cn2ncc(-c3ccc(CN4CCCCCC4)cc3)c2CN1C(=O)OC(C)(C)C,HHVVGWHEGAXOKP-LJQANCHMSA-N
rxn:4:215100:223490,Cc1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DRLKBKNSDMDCAS-UHFFFAOYSA-N
rxn:4:215100:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)CC1,DVEQVJZNAQDDLI-UHFFFAOYSA-N
rxn:4:215101:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,WYGUZVVEBOQZAU-UHFFFAOYSA-N
rxn:4:215103:224425,CCCC1CCC(c2ccccc2-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)CC1,KULDQLJMFODSKS-UHFFFAOYSA-N
rxn:4:215106:225324,Cc1nn2c(c1-c1cn(CCC(C)C)nc1C(F)(F)F)CN(C(=O)OC(C)(C)C)CC2,BPFXMCNWICKKGQ-UHFFFAOYSA-N
rxn:4:215109:224687,Cn1nc2c(c1-c1cc(F)cc(CN3CCC(=O)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,NPMHBOSSWMCYOE-UHFFFAOYSA-N
rxn:4:215197:223992,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)N1CCN(C)CC1,ODQCRYYLJIUGKD-UHFFFAOYSA-N
rxn:4:215233:224819,CN1c2ccccc2N(C2CCN(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)CC2)S1(=O)=O,IAOUNGAINABECB-UHFFFAOYSA-N
rxn:4:215610:223541,CCc1nn(C(C)C)nc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,SOPYJYIWNOVHLM-UHFFFAOYSA-N
rxn:4:215899:224336,CS(=O)(=O)N1CCCC(c2cnc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)C1,ADYHVOAGKCRBHH-UHFFFAOYSA-N
rxn:4:215905:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1c(C)nc(N2CCOCC2)c(C#N)c1C,VJASJQFUMFGPQG-UHFFFAOYSA-N
rxn:4:215975:223608,Cc1ccc(C2CN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cn3)CCO2)cc1,IHRDUMRXPWVTCF-UHFFFAOYSA-N
rxn:4:215981:223695,CC(C)(C)c1cc(N2CCCCC2)nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,UUHSIXPMBFNRSJ-UHFFFAOYSA-N
rxn:4:216207:222465,COc1nccc2c1c(-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)nn2C1CCCCO1,JVDIGFZHIYVFMM-UHFFFAOYSA-N
rxn:4:216252:223689,CCN1CCN(S(=O)(=O)c2cc(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)ccc2OC)CC1,GJVXBJURRRMYKN-UHFFFAOYSA-N
rxn:4:216252:224198,CCN1CCN(Cc2ccc(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)c(F)c2)CC1,LOLVXAARUXEOKE-UHFFFAOYSA-N
rxn:4:216252:224378,CC(=O)N1CCc2c(c(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)nn2C2CCOCC2)C1,CBTZZCMDPCLNHG-UHFFFAOYSA-N
rxn:4:216252:225355,COC(=O)c1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c(C(F)(F)F)c1,IRFRZXIRNUTZSK-UHFFFAOYSA-N
rxn:4:216252:226835,CC(=O)N1CCc2c(c(-c3cc(C(F)(F)F)nn3C(C)C)nn2C2CCOCC2)C1,IBSDNHQCXWCOOA-UHFFFAOYSA-N
rxn:4:217094:223541,Cc1nnc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)n1C1CCCC1,CPNSOUSJDVJIOW-UHFFFAOYSA-N
rxn:4:217098:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnnn3C3CCCCC3)cn2)CC1,GHPRJTMCCHKMNP-UHFFFAOYSA-N
rxn:4:217888:223671,Cc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc2c1ncn2C1CCCCC1,DGWGZFHFPPXZEG-UHFFFAOYSA-N
rxn:4:218521:223501,CN1Cc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nn2CS1(=O)=O,UCAHHIXURMXJKQ-UHFFFAOYSA-N
rxn:4:218578:223106,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,IIJWQERADLPZFZ-UHFFFAOYSA-N
rxn:4:218699:228224,Cc1cc(C#N)cc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)c1Cl,ALGCSLQNTMCPEA-UHFFFAOYSA-N
rxn:4:218704:223536,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)n[nH]2)CC1,MAIILDXABFSJDW-UHFFFAOYSA-N
rxn:4:218825:222849,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccc(C3CCNCC3)c(C#N)c2)CC1,SOSSOUVCFNJVIE-UHFFFAOYSA-N
rxn:4:218825:225215,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccnc(N3CCC(C)CC3)c2Cl)CC1,NPRFNJPKJHQGJC-UHFFFAOYSA-N
rxn:4:218919:223520,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)C2)cn1,VAQUYAZJKREIEK-UHFFFAOYSA-N
rxn:4:218919:224792,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cc(C(F)(F)F)cnc3SCC(C)C)C2)cn1,KIWQEBGHRBEDMO-UHFFFAOYSA-N
rxn:4:218943:223883,CN(c1cnc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cn1)C1CCN(C(=O)OC(C)(C)C)C1,OUVHRBPWLXFBKU-UHFFFAOYSA-N
rxn:4:218944:222948,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2[N+](=O)[O-])CC1,FWHCPXLLCUEOMO-UHFFFAOYSA-N
rxn:4:218965:226539,CCOC(=O)c1ccc(Cl)cc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cnn1C,ZDRPYASHTUPBHT-UHFFFAOYSA-N
rxn:4:218992:228211,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc(N5CCCC5)cs4)cn3)C2)CC1,BJBUEDVTGNGCML-UHFFFAOYSA-N
rxn:4:219000:223658,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c4ccccc34)cc2)CC1,XMVGULCWRSJUHF-UHFFFAOYSA-N
rxn:4:219011:225749,COc1ccc(C(=O)N(C)C)cc1-c1cnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,JNYPMAIKUGMNLL-UHFFFAOYSA-N
rxn:4:219026:224158,CC1CN(C(=O)c2c(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cnn2C)CCN1C(=O)OC(C)(C)C,IMIFJFLBMOLYHU-UHFFFAOYSA-N
rxn:4:219027:224280,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cnn1C,SJPJRGWQTTZCKG-UHFFFAOYSA-N
rxn:4:219031:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CSc4nnc(-c5ccc(C(C)(C)C)cc5)n4N)cc3)cc2)CC1,PABWQDPSBXFGBH-UHFFFAOYSA-N
rxn:4:219033:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc2[N+](=O)[O-])CC1,NPUSGQJVDKJPJF-UHFFFAOYSA-N
rxn:4:219047:225976,COc1ccc(-c2ccnc(N3CCOCC3)c2F)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,XYXSWDJWFZGBPE-UHFFFAOYSA-N
rxn:4:219051:222849,CN(c1cnc(-c2ccc(C3CCNCC3)c(C#N)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,IQDPXGDDNIWAJO-UHFFFAOYSA-N
rxn:4:219051:228459,COc1ncc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(SC)n1,MDVZTPCGBGRVLJ-UHFFFAOYSA-N
rxn:4:219053:225829,CC1CCN(c2ncc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)cn2)CC1,HZWAVTXHZZRGFO-UHFFFAOYSA-N
rxn:4:219067:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Cn6ccnc6)CC5)CC4=O)c3)cc2)CC1,BPQWPORZPMPCDM-SNOFGSQBSA-N
rxn:4:219192:222513,COc1ccccc1C1=NN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C(c2ccc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)cc2)C1,WDETVQSVRCFSLO-UHFFFAOYSA-N
rxn:4:219207:224770,Cc1cc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)cc(S(=O)(=O)N2CCCC2)c1,ZRKYDWNECHLUBX-UHFFFAOYSA-N
rxn:4:219363:224155,CN1CCN(c2cc(-c3cnccc3OC3CCN(S(=O)(=O)c4cnn(C)c4)C3)cc(C3CC3)c2)CC1,QBIIRTFZTDAAEK-UHFFFAOYSA-N
rxn:4:219369:223106,Cn1c(-c2cnc(N3CCC(O)C3)nc2Cl)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,OSNFPWIJOHAFCR-TYZXPVIJSA-N
rxn:4:219370:223055,Cc1nc(N2CCNCC2)ccc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,QDOHVWPCJBSMRV-UHFFFAOYSA-N
rxn:4:219371:225978,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(N3CCOCC3)nc2F)CC1,BOLJPXIYVDUROU-UHFFFAOYSA-N
rxn:4:219374:223885,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)nn2)CC1,CSVVANUWBMBCDL-UHFFFAOYSA-N
rxn:4:219374:224271,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)nn2)CC1,UXLZUCIIGHXYTQ-UHFFFAOYSA-N
rxn:4:219391:222630,Cc1nc(N2CCC(Oc3ccncc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)C2)cc(C(F)(F)F)n1,BXYONSWPCYIDGQ-UHFFFAOYSA-N
rxn:4:219406:226715,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnn(C(=O)OC(C)(C)C)c3)n2)CC1,MOLJUIUIOOXFEY-UHFFFAOYSA-N
rxn:4:219410:227086,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncc(-c3ccnc(C4CCCC4)c3)cn2)C1,GWIXEGHBPSBCEQ-UHFFFAOYSA-N
rxn:4:219453:227403,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(N5CCCCC5)s4)cn3)C2)C1=O,WVCYNQWSIFGUTK-UHFFFAOYSA-N
rxn:4:219454:223167,Cc1c(-c2ccnc(N3CCNCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,YJNIYIBIYWXXAG-UHFFFAOYSA-N
rxn:4:219454:224690,Cc1c(-c2ccc(CN3CCC(=O)CC3)cc2F)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,DZEVMCOZWHOERT-UHFFFAOYSA-N
rxn:4:219454:226417,Cc1c(-c2cc(Cl)cc(N3CCCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,KDIHZHJEOWQZQI-UHFFFAOYSA-N
rxn:4:219455:225794,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cnc(OC3CCCCC3)nc2)n[nH]1,ZBUULWIWCBRNGF-UHFFFAOYSA-N
rxn:4:219457:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2C)nn1,QPUDWMGTIJMJKR-UHFFFAOYSA-N
rxn:4:219464:223649,Cc1cccnc1OCC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,CJPHCFMNOPZWLC-UHFFFAOYSA-N
rxn:4:219469:222414,CSc1ncc(-c2cc(C)ccc2S(N)(=O)=O)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,QGUUQMMTQIXXOB-UHFFFAOYSA-N
rxn:4:219469:226792,CSc1ncc(-c2cnc(N3CCOCC3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,VYXVQWQWAZXWNC-UHFFFAOYSA-N
rxn:4:219487:222929,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cn2)CC1,SKSZANCPEJMIMQ-UHFFFAOYSA-N
rxn:4:219487:223904,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,QLBJQACKBGDYEE-UHFFFAOYSA-N
rxn:4:219487:223940,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)CC1,NUCZHAPWVJOJAZ-UHFFFAOYSA-N
rxn:4:219489:222799,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)ccc1S(=O)(=O)NC(C)(C)C,HLWOOBPIJXWQNA-UHFFFAOYSA-N
rxn:4:219489:223588,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,DTJJDPKZJBOCPD-UHFFFAOYSA-N
rxn:4:219499:227902,CCc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)ccc1C#N,JUDDMCYVJDLOQI-UHFFFAOYSA-N
rxn:4:219500:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C#N)c1,MPYOUJBSINXXGG-UHFFFAOYSA-N
rxn:4:219500:224065,CC1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C#N)c3)cc(C3CC3)c2)CC1,PBEQRBBTVPLSKN-UHFFFAOYSA-N
rxn:4:219500:224572,CC1CCCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C#N)c3)c(C#N)c2)C1,ISUJUCZDVVVKBB-UHFFFAOYSA-N
rxn:4:219500:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C#N)c1,GBWCTBXCMQSYJE-UHFFFAOYSA-N
rxn:4:219500:227902,CCc1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)ccc1C#N,VGBXLLWCRAIFFS-UHFFFAOYSA-N
rxn:4:219508:223739,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)CC2)cc(C(F)(F)F)n1,MYJMLBJCZIXTJJ-UHFFFAOYSA-N
rxn:4:219515:226743,CCc1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cc(C(F)(F)F)n1,DPCRLAHKWVROQI-UHFFFAOYSA-N
rxn:4:219515:228501,Cn1ncc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)c1C(F)(F)F,KMEULJXIGZHYDS-UHFFFAOYSA-N
rxn:4:219515:228680,CCCn1nc(C)cc1-c1nnc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1,ZVCXZQDKXJISMJ-UHFFFAOYSA-N
rxn:4:219539:223575,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,DWLSHBNSTOFIDY-UHFFFAOYSA-N
rxn:4:219539:224371,COC(=O)C1CCN(c2ncc(-c3ccccc3C(=O)N3CCN(c4cc(C5CC5)nn4C)CC3)cn2)CC1,AMAWKPXBIFLIKE-UHFFFAOYSA-N
rxn:4:219551:228497,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnn4CC(F)(F)F)cn3)CC2)C1=O,KTDCCYWERUDZSD-UHFFFAOYSA-N
rxn:4:219551:228679,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnn(CC5CC5)c4)cn3)CC2)C1=O,JMNKPIRFCMIINR-UHFFFAOYSA-N
rxn:4:219552:228704,CCn1nc(C)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1C,KBFRSDPSWDUHSP-UHFFFAOYSA-N
rxn:4:219654:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,BTOVEHJSXVIYPE-UHFFFAOYSA-N
rxn:4:219687:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cnc1Cl,JIAOHXVGYDWSCH-UHFFFAOYSA-N
rxn:4:219692:223775,COc1ccc2c(c1)c(-c1cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc13)cn2C(=O)OC(C)(C)C,DGJBCCOUDVKQRM-UHFFFAOYSA-N
rxn:4:219696:223508,Cn1c(CN2CCN(C(=O)c3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)o3)CC2)nc2ccccc21,BGYCCSIYDMQWGG-UHFFFAOYSA-N
rxn:4:219706:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,HJUZRBZYLBBIKY-UHFFFAOYSA-N
rxn:4:219706:224161,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)c(Cl)cc23)CC1,JDIDEIDSFPNSJV-UHFFFAOYSA-N
rxn:4:219905:222847,N#Cc1cc(-c2cnc(N3CCN(C4CCC4)CC3)c(C#N)c2)cc(C2CCCNC2)c1,HGQWFAQPGRLBTP-UHFFFAOYSA-N
rxn:4:219905:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(N2CCN(C3CCC3)CC2)c(C#N)c1,WWVNZRUGOUSVJK-UHFFFAOYSA-N
rxn:4:219905:222889,N#Cc1cc(-c2cc(F)cc(CN3CCNCC3)c2)cnc1N1CCN(C2CCC2)CC1,MVIAYWYILQULPE-UHFFFAOYSA-N
rxn:4:219959:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)cc2)CC1,OSAYRALHHHZUHU-UHFFFAOYSA-N
rxn:4:219980:222466,Cc1cc(N2CCN(Cc3ccccc3-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)CC2)ncn1,BQOSEMSDYDZBOO-UHFFFAOYSA-N
rxn:4:219988:226128,O=C(CC1CC1)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,BYNBBAKYHCTRTQ-UHFFFAOYSA-N
rxn:4:220018:223845,COCC(=O)N1CCn2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)nc2C1,VDBSCCKQKSOUHZ-UHFFFAOYSA-N
rxn:4:220039:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,VJQVYSLMMAQVCV-UHFFFAOYSA-N
rxn:4:220040:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)c2C1,SYDZDWZFELBPNB-UHFFFAOYSA-N
rxn:4:220040:224777,CC(C)(C)OC(=O)N1CCn2nc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)nc2C1,GTFJGGPVPJMMOH-UHFFFAOYSA-N
rxn:4:220041:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,RKHIZUWZGLYXMH-UHFFFAOYSA-N
rxn:4:220069:223636,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)n2CC1,RHDFBOQTLNMWPX-UHFFFAOYSA-N
rxn:4:220069:223841,Cc1cc(F)c(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCN(C)CC1,QEMSIVGSPDFIIJ-UHFFFAOYSA-N
rxn:4:220069:224155,CN1CCN(c2cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc(C3CC3)c2)CC1,IYEIRYGQRFWZFV-UHFFFAOYSA-N
rxn:4:220069:225992,CC(C)Cn1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)n1,VVSYYRWAMRFHNG-UHFFFAOYSA-N
rxn:4:220154:224817,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1Cc2cnc(N3CCOCC3)nc2C1,KZQOANXLPSGZEP-UHFFFAOYSA-N
rxn:4:220161:223773,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cc6cccc(OC)c6n5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)c1,BVZRTMMKZDHRES-UHFFFAOYSA-N
rxn:4:220414:224760,Cc1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],GLNGLQGVDKYNQA-UHFFFAOYSA-N
rxn:4:220421:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCN(c3cccc(Cl)c3)CC2)nc1,KWJLAFLUNWODJC-UHFFFAOYSA-N
rxn:4:220422:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)nc1,KTDVOMLAOKBMIJ-UHFFFAOYSA-N
rxn:4:220428:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(N4CCN(c5nccc(C)n5)CC4)c3)cc2C)CC1,BPXYGXDYMDCFMF-UHFFFAOYSA-N
rxn:4:220463:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc([N+](=O)[O-])c(N2CCOCC2)c2nsnc12,PEIGDVYKEKCDIW-UHFFFAOYSA-N
rxn:4:220491:223992,Cc1ccc(-c2nc3n(n2)CCN(C(=O)C(C)(C)C)C3)cc1S(=O)(=O)N1CCN(C)CC1,LBMODYSUROBKLY-UHFFFAOYSA-N
rxn:4:220567:223482,Cn1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C#N,NVFFGVNSDMIUNU-UHFFFAOYSA-N
rxn:4:220811:223687,CN1CCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nn2)CC1,XLETXAIGQBCWBU-UHFFFAOYSA-N
rxn:4:221060:223482,Cn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2c(Cl)ncnc21,BENRBMWGCAWEOX-UHFFFAOYSA-N
rxn:4:221112:224811,CCOc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,NFYVEQBKAVKDMT-UHFFFAOYSA-N
rxn:4:221114:222702,CCOc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GWCYPOMEQAJBTG-UHFFFAOYSA-N
rxn:4:221115:223493,CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,HJHSZDJGKYFMDZ-UHFFFAOYSA-N
rxn:4:221175:227489,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc(N(C)C)c(C#N)c4)cn3)C2)C(=O)C1=O,WTBIXRTUWBEXPS-UHFFFAOYSA-N
rxn:4:221182:222947,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(N5CCCC(O)C5)nc4Cl)cn3)CC2)C1=O,BSJOXECDBWQZKL-UHFFFAOYSA-N
rxn:4:221182:226572,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(OC5CCCC5)nc4)cn3)CC2)C1=O,IQVDZJNYMBECJY-UHFFFAOYSA-N
rxn:4:221205:223810,Cc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,WOUNNWFKXSZLOY-UHFFFAOYSA-N
rxn:4:221249:223491,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(N6CCN(C(=O)OC(C)(C)C)CC6)cc(C(F)(F)F)c5)cnn4c3)cc2)CC1,SCOFXBBPSAFRIW-UHFFFAOYSA-N
rxn:4:221275:223774,COc1cccc2c1cc(-c1ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc1)n2C(=O)OC(C)(C)C,YTUQTXSZDSSOCZ-UHFFFAOYSA-N
rxn:4:221419:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)nc2)c(Cl)c1,OJPGUSBJRTWDJU-UHFFFAOYSA-N
rxn:4:221425:222699,FC(F)(F)c1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)ccc1C1CCCNC1,FHMKZMBTRHCLQR-UHFFFAOYSA-N
rxn:4:221431:222475,Cc1ccc(CNC(=O)c2cc(-c3ccccc3C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)ccc2F)cc1,BWKNIFITLPCQGD-UHFFFAOYSA-N
rxn:4:221433:223608,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,LRRRGYXLCHGKOR-UHFFFAOYSA-N
rxn:4:221442:222729,CCCc1cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc(C2CCCNC2)n1,ZPITXDMEPGDICL-UHFFFAOYSA-N
rxn:4:221442:224820,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)n1,YTAAMOIANOSLOA-UHFFFAOYSA-N
rxn:4:221447:223521,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,HCKRGTAKGIULPN-UHFFFAOYSA-N
rxn:4:221447:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,RZRUUGLWQSHHJV-UHFFFAOYSA-N
rxn:4:221499:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)ccc2F)CC1,IKWYYNKEDIFYHA-UHFFFAOYSA-N
rxn:4:221596:223527,COCn1nc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)nc1N1CCN(C)CC1,WFMPBORRQAVGEG-UHFFFAOYSA-N
rxn:4:221645:223775,COc1ccc2c(c1)c(-c1cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc1)cn2C(=O)OC(C)(C)C,XTJNQHXFIJIKNZ-UHFFFAOYSA-N
rxn:4:221729:223886,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,IYZLOGFZXQQOFL-UHFFFAOYSA-N
rxn:4:221730:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5c(C)nc6cc(F)ccc6c5=O)CC4)nc3)cc2)CC1,XPDMDELPMFNOEC-FBSWEULCSA-N
rxn:4:221731:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)cc2)C1,DDYOMTOAJLQYRX-UHFFFAOYSA-N
rxn:4:221916:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(CC)no6)nn5)CC4)cc3)cc2)CC1,GQGMYXKYLDMOAQ-DUYHBEBVSA-N
rxn:4:221978:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cnc1Cl,TYPZNCXNUUMGDG-UHFFFAOYSA-N
rxn:4:221985:222426,Cn1cc(-c2nc3cnc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,HJKRQFKXQKIRJD-RUZDIDTESA-N
rxn:4:222032:224991,CN(C)c1nccc(N2CCN(c3ncc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3C(F)(F)F)CC2)n1,PTTYGMAJJYLRRX-UHFFFAOYSA-N
rxn:4:222069:223651,Cc1nnc(SCCn2c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)nc3c2c(=O)n(C)c(=O)n3C)s1,YDDDYYXOVUDBLD-UHFFFAOYSA-N
rxn:4:222122:224285,Cc1nnc2ccc(N3CC4CN(C(=O)Cc5ccccc5-c5ccc(OCCN6CCOCC6)cc5F)CC4C3)nn12,DKZWFXQJJWHNQE-UHFFFAOYSA-N
rxn:4:222162:224396,Cc1cc(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,LHJBBAXTRBTNOL-UHFFFAOYSA-N
rxn:4:222165:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)nc1,CMAPIDPPXYZFBF-UHFFFAOYSA-N
rxn:4:222284:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(OC)c5)CC4)cc3)cc2)CC1,HJYOBTGRQMAXHK-UHFFFAOYSA-N
rxn:4:222293:223530,Cn1cnnc1SCCn1c(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C,HZQWMFJRMKTCOL-UHFFFAOYSA-N
rxn:4:222293:223602,Cn1cnnc1SCCn1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc2c1c(=O)n(C)c(=O)n2C,POBLTMTUDSPGNK-UHFFFAOYSA-N
rxn:4:222293:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nncn1C,IVHMULHOQYKIIH-UHFFFAOYSA-N
rxn:4:222293:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nncn3C)c(F)c2)CC1,UDOMUKAVNZRFEU-MXVIHJGJSA-N
rxn:4:222293:223754,CC1CCN(CCCOc2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nncn3C)cc2Cl)CC1,WOJJIIXMXLBAOZ-UHFFFAOYSA-N
rxn:4:222293:223784,CCN1CCN(CCOc2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nncn3C)cc2F)CC1,LKFKFDSTKGGEJW-UHFFFAOYSA-N
rxn:4:222349:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CN(c6ncnc7c6ncn7C)CC5C4)c3)cc2)CC1,HTUJBQHBNQIEAR-KQCCPMTBSA-N
rxn:4:222367:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,UMSNLMZGFDWKBM-QMKXWPMSSA-N
rxn:4:222389:207047,Cc1cc(N(C)C2CCCCC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,FPYUHCMQVPCHQN-UHFFFAOYSA-N
rxn:4:223490:217091,Cc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OUWNRCBDMGFRJJ-UHFFFAOYSA-N
rxn:4:223540:214411,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cn(CC(F)F)nc1[N+](=O)[O-],VQONEDQGBVKNQM-UHFFFAOYSA-N
rxn:4:223540:214908,COC(=O)Cc1nc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cn2n1,MBAXRWCYZQJRLB-UHFFFAOYSA-N
rxn:5:176862:226652:226686,COC(=O)c1ccc(-c2cc(C)nn2C2CCCCO2)c(-c2c(C)cnn2C2CCCCO2)c1OC,UGJZKWXXMMOTRR-UHFFFAOYSA-N
rxn:5:177850:223010:225446,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(C)cc(OC2CCCC2)c1,BHNFLDXAEFGYIJ-UHFFFAOYSA-N
rxn:5:177850:223202:225446,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(C)cc(OC2CCCC2)c1,FVMSMUKEUBWXNY-UHFFFAOYSA-N
rxn:5:177850:226027:223281,CCOc1ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1-c1ccc(C2(O)COC2)nc1,HXNOTHNECAVHFK-UHFFFAOYSA-N
rxn:5:177850:226971:223010,CCOc1ccc(-c2ccc3c(c2)CCCOC3)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,KUZHDCZDSKSPBD-UHFFFAOYSA-N
rxn:5:177850:228343:226837,CCOc1ccc(-c2cc(C)c(C(=O)OC)s2)c(C2OCCO2)c1-c1c(C)nn(CC(F)(F)F)c1C,AKIIHNCADOBXAO-UHFFFAOYSA-N
rxn:5:177891:225817:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1ccc(C(F)(F)F)c(C2CC2)c1,NOSZUEZIJCHOHQ-UHFFFAOYSA-N
rxn:5:177891:226900:227026,N#Cc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C1CC1,ZVXGIYOQFVXILL-UHFFFAOYSA-N
rxn:5:177891:226901:226880,O=C(SC1CS(=O)(=O)CC1c1cc(F)c(F)c(C(F)(F)F)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,UINRLTQTFTUVOT-UHFFFAOYSA-N
rxn:5:177891:226901:227338,CC(C)Oc1ccc(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,XQFKRRDMHXCKRM-UHFFFAOYSA-N
rxn:5:177891:227749:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cc(F)cc(C(F)(F)F)c1,KJWGECMBUXCRQY-UHFFFAOYSA-N
rxn:5:177891:227925:226901,CC(C)Oc1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1,VXPCRUJIHHIXQC-UHFFFAOYSA-N
rxn:5:177891:227969:226900,Cc1nccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)c1C1CC1,KFDSGNGMLCZHOY-UHFFFAOYSA-N
rxn:5:177891:228199:227792,Cc1nn(C2CCC2)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(C(F)(F)F)c1F,NFADORDMYVKOLG-UHFFFAOYSA-N
rxn:5:177891:228211:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cc(N2CCCC2)cs1,YACXCLACJQJWKT-UHFFFAOYSA-N
rxn:5:177891:228493:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cc(F)c(F)c(F)c1F,HJMPVFABVWYNHT-UHFFFAOYSA-N
rxn:5:177891:228529:226029,CCOc1c(F)c(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)CCO3)c(F)c1F,HJIFLMHBDIAJFF-UHFFFAOYSA-N
rxn:5:178224:226685:227766,CCn1nc(C(F)(F)F)cc1-c1cc(OCC2CCCCC2)cc(-c2cnc(C3CCOCC3)nc2)c1,PAUGDSMEVYJQAI-UHFFFAOYSA-N
rxn:5:178225:223010:227301,CN(C)Cc1cc(F)ccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(C2(O)CCOCC2)cc1,NOZSGXLKHFVSOZ-UHFFFAOYSA-N
rxn:5:178225:223010:227346,CCCc1cc(F)c(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3(O)CCOCC3)cc2)c(F)c1,ZYNUGBKYIJPODO-UHFFFAOYSA-N
rxn:5:178225:225446:227107,Cc1cc(OC2CCCC2)cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C)cc(C3CC3)c2F)c1,LLBBUCJUQONHQQ-UHFFFAOYSA-N
rxn:5:178226:223010:227301,CN(C)Cc1cc(F)ccc1-c1cccc(OCC2CCCCC2)c1-c1ccc(C2(O)CCOCC2)cc1,FTUNNPRTDRLZLW-UHFFFAOYSA-N
rxn:5:178226:223010:227346,CCCc1cc(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3(O)CCOCC3)cc2)c(F)c1,ZKZWJWSEDCTXAY-UHFFFAOYSA-N
rxn:5:178226:225451:227292,CN(C)Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(SC3CCCCC3)cc2)ccc1F,JQFWXJPYIALQMV-UHFFFAOYSA-N
rxn:5:178226:226848:227766,CCn1nc(C(F)(F)F)cc1-c1cccc(OCC2CCCCC2)c1-c1ccc(OC)nc1C(F)(F)F,SVERHOQGILWFMK-UHFFFAOYSA-N
rxn:5:178295:223388:227320,COC(=O)C1(c2cc(-c3c(OC)cccc3N(C)C)ccc2-c2ccc(S(=O)(=O)O)cc2)CCC(=O)CC1,UQYRXHAJSOJZID-UHFFFAOYSA-N
rxn:5:178295:228078:227680,COC(=O)C1(c2cc(-c3cccc4c3OC(F)(F)O4)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,NXHJKWODLLDQIR-UHFFFAOYSA-N
rxn:5:178295:228653:227566,COC(=O)C1(c2cc(-c3ccc(OC)c(F)c3OC)ccc2-c2cnn3c2CCCC3)CCC(=O)CC1,QZKFWVWMQPLPIM-UHFFFAOYSA-N
rxn:5:178315:225514:227589,Cc1cc(OC(F)F)cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc4c3OCC3(CC3)CO4)c2)c1,SZRLXQGGDGCNHK-UHFFFAOYSA-N
rxn:5:178368:225514:225808,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(OC4CCCC4)ncc3F)c(C)c2)c(C)cc1-c1cccc2c1OCC1(CC1)CO2,SOHZTCRZQYMVLL-UHFFFAOYSA-N
rxn:5:178467:226764:226464,CCOC(=O)C1=Cc2cc(-c3c(OC)ccc4c3OCCO4)cc(-c3ccc(F)c(C(=O)OC)c3F)c2OC1,XMGLLQQRSSYJBK-UHFFFAOYSA-N
rxn:5:180095:225448:226027,Cc1ccc(OC2CCCC2)c(-c2ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c(OC3CCCC3)c2)c1,BQMFFEFKLUHYTA-UHFFFAOYSA-N
rxn:5:180297:222409:225440,COc1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c(C2(C)OCCO2)cc1-c1ccc(C2(C#N)CCCC2)cc1,NZIQBKPFKJOODM-UHFFFAOYSA-N
rxn:5:180297:223010:226971,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(C2(C)OCCO2)cc1-c1ccc2c(c1)CCCOC2,PCQITZPTSOHTDC-UHFFFAOYSA-N
rxn:5:188447:225832:227679,COC(=O)c1c(-c2ccc3c(c2)OC(F)(F)O3)cc(-c2c(C)nn(C3CCCCO3)c2C)cc1[N+](=O)[O-],DNYAGHQMFDTDAZ-UHFFFAOYSA-N
rxn:5:188460:222404:226900,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1ccc(C2NC(=O)NC2=O)cc1,MYZLDJAKYHYKRH-UHFFFAOYSA-N
rxn:5:189207:223427:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccccc2/C=N/O)cc1C(=O)ON1C(=O)CCC1=O,QMWYKFCPHVGDSY-MUFRIFMGSA-N
rxn:5:189207:225583:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1cccc(N2CCOCC2=O)c1,KGSKDNQSGSOTRK-UHFFFAOYSA-N
rxn:5:189207:225617:225986,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC3CCCCO3)cc2)ccc1-c1ccccc1N1CCCS1(=O)=O,KOCCPUVWFFMJIH-UHFFFAOYSA-N
rxn:5:189207:225677:229091,CC(=O)c1occc1-c1ccc(-c2ccc(C3CCCCC3)nc2F)cc1C(=O)ON1C(=O)CCC1=O,ODIFLSCBVZOQIX-UHFFFAOYSA-N
rxn:5:189207:225871:225583,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cccc(C(=O)N2CCCC2)c1,QKBLHNUUWXEOPD-UHFFFAOYSA-N
rxn:5:189207:225871:227082,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccccc1N1CCCC1,YQOUORLYZFXTGJ-UHFFFAOYSA-N
rxn:5:189207:225987:228894,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1ccccc1[N+](=O)[O-],SWSRTABWPDJFBL-UHFFFAOYSA-N
rxn:5:189207:226158:228078,O=C1OCc2cc(-c3ccc(-c4ccccc4N4CCCCC4)cc3C(=O)ON3C(=O)CCC3=O)ccc21,QOBHIDRHYGTNQE-UHFFFAOYSA-N
rxn:5:189207:226186:225985,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CCOCC2)ccc1-c1cccc(N2CCCS2(=O)=O)c1,PEIWKZXWLHLJIC-UHFFFAOYSA-N
rxn:5:189207:226319:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],UVANTKHQHRQUSC-UHFFFAOYSA-N
rxn:5:189207:226415:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,GKRXFZBVDSOWGW-UHFFFAOYSA-N
rxn:5:189207:226415:227546,COC(=O)c1cccc(-c2ccc(-c3ccccc3N3CCOCC3)cc2C(=O)ON2C(=O)CCC2=O)c1F,IZUNMLOIZDLBOM-UHFFFAOYSA-N
rxn:5:189207:226760:228066,COC(=O)c1cc(-c2ccc(-c3ccc4c(c3)OCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)cc(F)c1F,CVGYIYAMBJRMHM-UHFFFAOYSA-N
rxn:5:189207:227095:227203,O=C1CC(c2ccc(-c3ccc(-c4ccc5c(c4)OCCCO5)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)C1,DABWRRQVYOWMSG-UHFFFAOYSA-N
rxn:5:189207:227501:226900,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,FWQQQMGDWSNWCB-UHFFFAOYSA-N
rxn:5:189207:227501:227390,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1ccnn1C1CCCCC1,MERRRNMXQKVIGD-UHFFFAOYSA-N
rxn:5:189207:227501:227613,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1cnn(C2CCOCC2)c1,SUVLGOQAIUJIMC-UHFFFAOYSA-N
rxn:5:189207:227506:227390,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)ccc1-c1ccnn1C1CCCCC1,UOCXHKPURHMOQB-JQIJEIRASA-N
rxn:5:189207:227679:227783,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1cc([N+](=O)[O-])c(F)cc1F,HSNPHIKOSODOOR-UHFFFAOYSA-N
rxn:5:189207:228071:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cccc3c2OCCO3)cc1C(=O)ON1C(=O)CCC1=O,XLEFFIQKPJGZTR-UHFFFAOYSA-N
rxn:5:189207:228071:226047,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(OC(F)(F)F)c(F)c1F,YFGIQVMLEMVEDG-UHFFFAOYSA-N
rxn:5:189207:228292:226749,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccnc3c2OCCO3)cc1C(=O)ON1C(=O)CCC1=O,JSYGGFMFFJSLNL-UHFFFAOYSA-N
rxn:5:189207:228343:227610,COC(=O)c1sc(-c2ccc(-c3ccn(C4CCCCO4)n3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1C,UHLZPUXWYNBXFC-UHFFFAOYSA-N
rxn:5:189207:228500:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C(F)(F)F)nc2)cc1C(=O)ON1C(=O)CCC1=O,YLLJWEPTBPKGAQ-UHFFFAOYSA-N
rxn:5:189207:229049:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cnc3n2CCC3)cc1C(=O)ON1C(=O)CCC1=O,DNYGIWWTIPZMNS-UHFFFAOYSA-N
rxn:5:189207:229091:225445,CC(=O)c1occc1-c1ccc(-c2ccccc2OC2CCCCC2)c(C(=O)ON2C(=O)CCC2=O)c1,YQAWKDFXCXFLHE-UHFFFAOYSA-N
rxn:5:189208:225407:228602,CC(=O)c1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,JDXYJFMPYSHTEC-UHFFFAOYSA-N
rxn:5:189208:225470:229091,CC(=O)c1occc1-c1cc(-c2ccc(N3CCC(C)CC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,IWKFSVIOKNONSI-UHFFFAOYSA-N
rxn:5:189208:225584:228603,CC(=O)c1cccc(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)c1,TUMPTTYKGSFRHW-UHFFFAOYSA-N
rxn:5:189208:225584:229089,CC(=O)c1sccc1-c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,SJNMHMGJWZNIHY-UHFFFAOYSA-N
rxn:5:189208:225616:226739,CC(=O)c1ccc(-c2cc(-c3ccccc3C(=O)N3CCCC3)ccc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],SKOYDZOAEJWCLL-UHFFFAOYSA-N
rxn:5:189208:225819:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CC2)cc1-c1cccc2c1COC2=O,ISJHKHXHIAJYJG-UHFFFAOYSA-N
rxn:5:189208:225873:227066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1cccc(C(=O)C2CC2)c1,HMVDEAZYGKQVPS-UHFFFAOYSA-N
rxn:5:189208:226084:228416,COc1cc(F)cc(F)c1-c1cc(-c2ccc3c(c2)C(=O)CCCC3)ccc1C(=O)ON1C(=O)CCC1=O,BOKUOXUZYBHYCJ-UHFFFAOYSA-N
rxn:5:189208:226185:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCOCC3)cc2)cc1-c1cccc(C=C[N+](=O)[O-])c1,CWMJEXRJQRFEOA-UHFFFAOYSA-N
rxn:5:189208:226319:228473,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)cc1-c1cc([N+](=O)[O-])ccc1F,IKHPTUPAFGIACP-UHFFFAOYSA-N
rxn:5:189208:226411:227920,CCC(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,CCUXUMOVDRMHFU-UHFFFAOYSA-N
rxn:5:189208:226760:227863,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)CCCO4)c2)cc(F)c1F,SJUFLNUPZJYLLW-UHFFFAOYSA-N
rxn:5:189208:226774:227203,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OC(F)=C(F)F)cc2)cc1-c1ccc2c(c1)OCCCO2,IEOWLNPUANRBIF-UHFFFAOYSA-N
rxn:5:189208:226836:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2cn(C(C)C)nc2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,CDVVCPDJGYUGBA-UHFFFAOYSA-N
rxn:5:189208:226899:227992,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1ccc(C2COC2)cc1,ICXPOPPUMNUDBC-UHFFFAOYSA-N
rxn:5:189208:227203:226772,COC(=O)c1cc(F)c(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c1,CBXABHCCBIQVMV-UHFFFAOYSA-N
rxn:5:189208:227205:226880,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCCO3)cc1-c1cc(F)c(F)c(C(F)(F)F)c1,VSASVUDRQSUABM-UHFFFAOYSA-N
rxn:5:189208:227446:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCO3)cc2)cc1-c1cccc(C(=O)N2CCC2)c1,WTVJPNROSHEBQQ-UHFFFAOYSA-N
rxn:5:189208:227452:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3OCCO3)c2)cc1-c1cccc(C(=O)N2CCCC2)c1,LDOJLBBCIPCDJQ-UHFFFAOYSA-N
rxn:5:189208:227506:228002,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1sccc1C1CCCC1,IVGNYGNTPMUBLC-WYMLVPIESA-N
rxn:5:189208:227679:227675,COc1cc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c(F)c1C,CLNBOHQYJWKUCF-UHFFFAOYSA-N
rxn:5:189208:227739:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cnc(C(F)(F)F)c(C)c2)ccc1C(=O)ON1C(=O)CCC1=O,SGCOOURSGDVVBH-UHFFFAOYSA-N
rxn:5:189208:227804:228002,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])cc1-c1sccc1C1CCCC1,CWGQYNOTWUVGJK-UHFFFAOYSA-N
rxn:5:189208:227870:225583,O=C1CCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(C(=O)N5CCCC5)c4)c3)cc21,VQHBANAXNDFAGD-UHFFFAOYSA-N
rxn:5:189208:227918:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CC3)cc2)cc1-c1cccc(C(=O)N2CCC2)c1,DXIAYQYRZMWEJA-UHFFFAOYSA-N
rxn:5:189208:228077:225871,O=C1OCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(N5C(=O)C=CC5=O)c4)c3)cc21,YGYYWLUUDHZSRE-UHFFFAOYSA-N
rxn:5:189208:228150:225453,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(SC4CCCCC4)c3)c2)cc1,QGJYWBDZJHRYEH-UHFFFAOYSA-N
rxn:5:189208:228174:226413,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4CCOCC4)c3)c2)cc1,JIXMHTSGAOPSGU-UHFFFAOYSA-N
rxn:5:189208:228781:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(F)F)cc2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,BKCCVWDPDPIKEN-UHFFFAOYSA-N
rxn:5:189209:225583:228631,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2ccsc2C2CCC2)c1,OZGZBRRPWNLCCD-UHFFFAOYSA-N
rxn:5:189209:225618:228601,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(OC3CCCCO3)c2)c1,PVPXEVWNIPXZNN-UHFFFAOYSA-N
rxn:5:189209:226084:227044,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CC3)cc2)cc(-c2ccc3c(c2)C(=O)CCCC3)c1,VGMBPPFRCUMIRF-UHFFFAOYSA-N
rxn:5:189209:226186:227920,CCC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccccc3C3CCOCC3)c2)cc1,ZBNHEZOIKIHEOQ-UHFFFAOYSA-N
rxn:5:189209:226969:227207,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)CCCC3=O)cc(-c2cccc3c2OCCC3=O)c1,NLWHLMPWBLOJNA-UHFFFAOYSA-N
rxn:5:189209:227501:225986,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2ccccc2N2CCCS2(=O)=O)c1,HVFFEGPSYSDWDV-UHFFFAOYSA-N
rxn:5:189209:228150:227103,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3sccc3C3CCCCC3)c2)cc1,HJXMGWQIOIXYOR-UHFFFAOYSA-N
rxn:5:189209:228174:227386,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCC4)c3)c2)cc1,GDIKAEPATOBMJK-UHFFFAOYSA-N
rxn:5:189210:223342:226881,COc1c(F)c(F)c(-c2cccc(-c3ccc4c(c3)OCCN4)c2C(=O)ON2C(=O)CCC2=O)c(F)c1F,DKZLPCYRNBTXDW-UHFFFAOYSA-N
rxn:5:189210:225455:229168,COc1nc(C)sc1-c1cccc(-c2cc(N3CCCCC3)ccc2C)c1C(=O)ON1C(=O)CCC1=O,CWDVLVOEWGVLFD-UHFFFAOYSA-N
rxn:5:189210:225583:225873,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)cccc1-c1cccc(N2CCOCC2=O)c1,DPSQNWLZPTVSOW-UHFFFAOYSA-N
rxn:5:189210:225583:226333,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)cccc1-c1cccc(C(=O)N2CCC2)c1,PHBGLHISGIXFMY-UHFFFAOYSA-N
rxn:5:189210:225943:229002,COc1ccc(-c2cccc(-c3ccc(C(=O)N4CCOCC4)s3)c2C(=O)ON2C(=O)CCC2=O)cc1,CLBHGNRXDOFLJL-UHFFFAOYSA-N
rxn:5:189210:226155:227095,CC(=O)c1cc(-c2cccc(-c3ccc(C4CC(=O)C4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,CKZJTSKFHWDPMQ-UHFFFAOYSA-N
rxn:5:189210:226155:227207,CC(=O)c1cc(-c2cccc(-c3cccc4c3OCCC4=O)c2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,ZBHNHRKWKPITIQ-UHFFFAOYSA-N
rxn:5:189210:226185:226739,CC(=O)c1ccc(-c2cccc(-c3ccc(C4CCOCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],TXGDRNGQPMKGQL-UHFFFAOYSA-N
rxn:5:189210:226464:228407,COc1ccc(F)c(F)c1-c1cccc(-c2c(OC)ccc3c2OCCO3)c1C(=O)ON1C(=O)CCC1=O,CBIVHSBKDFZUCW-UHFFFAOYSA-N
rxn:5:189210:226783:227679,COc1cc(F)c(F)c(OC)c1-c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1C(=O)ON1C(=O)CCC1=O,QXNYMIXQIBKHFP-UHFFFAOYSA-N
rxn:5:189210:228283:227390,CC(=O)c1cc(F)ccc1-c1cccc(-c2ccnn2C2CCCCC2)c1C(=O)ON1C(=O)CCC1=O,ZFVRPUNOLBHKSY-UHFFFAOYSA-N
rxn:5:189210:228460:226652,COc1ncnc(OC)c1-c1cccc(-c2cc(C)nn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,IULOAEJUNCNYJG-UHFFFAOYSA-N
rxn:5:189210:228499:227205,Cn1nc(C(F)(F)F)cc1-c1cccc(-c2cccc3c2OCCCO3)c1C(=O)ON1C(=O)CCC1=O,UGQMNHBUNBDXCO-UHFFFAOYSA-N
rxn:5:189211:226069:228872,COC(=O)c1sccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc(C2CCCCC2)c1,NRXSHJWBVMBRII-UHFFFAOYSA-N
rxn:5:189211:226186:228345,COC(=O)c1sc(C)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1C1CCOCC1,YEMUJYUVQXJYMZ-UHFFFAOYSA-N
rxn:5:189211:226900:222993,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cccc(N2CCCCC2O)c1,YRJPRXSKVRRDQP-UHFFFAOYSA-N
rxn:5:189211:227126:228343,COC(=O)c1sc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCOC3)cc2)cc1C,AZPCSZPZCHDHMK-UHFFFAOYSA-N
rxn:5:189211:227875:226765,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2CCCO3)c(F)c1F,LIQFPESBPHTWCP-UHFFFAOYSA-N
rxn:5:189211:228868:226084,COC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)C(=O)CCCC3)s1,TZMKISNQBSXPKF-UHFFFAOYSA-N
rxn:5:189211:229091:225874,CC(=O)c1occc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(F)c(N2CCOCC2)c1,TXIHELVZFKTPMN-UHFFFAOYSA-N
rxn:5:189212:223361:226411,CC(=NO)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)cc1,WWFHUSGWORINST-UHFFFAOYSA-N
rxn:5:189212:226084:227066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2ccc3c(c2)C(=O)CCCC3)c1,FBQIMWMTGHBLQT-UHFFFAOYSA-N
rxn:5:189212:226084:227936,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CC3)c2)c(-c2ccc3c(c2)C(=O)CCCC3)c1,YBYMDPMDKLIVLB-UHFFFAOYSA-N
rxn:5:189212:226186:223347,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2CNC3=O)c(-c2ccccc2C2CCOCC2)c1,ULPJASDCJHCPBD-UHFFFAOYSA-N
rxn:5:189212:226187:228150,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(C3CCOCC3)c2)cc1,RADXJUGOVWKZPM-UHFFFAOYSA-N
rxn:5:189212:226411:223358,CC(=O)Nc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCOCC3)cc2)cc1,HPDNMSOXIBCGPT-UHFFFAOYSA-N
rxn:5:189212:226899:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,WGZWZMPGXFRIFE-UHFFFAOYSA-N
rxn:5:189212:226966:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc2c(c1)C(=O)CCC2,ASNLZJPVUWHCFE-UHFFFAOYSA-N
rxn:5:189212:227386:228150,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnn(C3CCCCC3)c2)cc1,JFNBJJNQVOFAEU-UHFFFAOYSA-N
rxn:5:189212:227507:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2cccc(C=C[N+](=O)[O-])c2)c1,LUWKXIGUKOSWPZ-UHFFFAOYSA-N
rxn:5:189212:227996:226411,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)c(C)c1,ZQUYPWKNBDQBEI-UHFFFAOYSA-N
rxn:5:189212:227996:227386,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnn(C3CCCCC3)c2)c(C)c1,XZXAWNSNNFMNQS-UHFFFAOYSA-N
rxn:5:189212:228077:225581,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)c(-c2ccc3c(c2)C(=O)OC3)c1,WLWCDFYAMCYDTP-UHFFFAOYSA-N
rxn:5:189212:228454:227386,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnn(C3CCCCC3)c2)c(OC)nn1,PHYAXOZLKPNSAZ-UHFFFAOYSA-N
rxn:5:189319:222404:222404,CC(C)(C)OC(=O)c1nc(-c2ccc(C3NC(=O)NC3=O)cc2)ccc1-c1ccc(C2NC(=O)NC2=O)cc1,MNLQGQHZOOPFNQ-UHFFFAOYSA-N
rxn:5:189540:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(CN3CC(OC)C3)c1)OCCO2,DBCYLZYWYAFIKF-UHFFFAOYSA-N
rxn:5:189666:223389:226654,Cc1n[nH]c(C(F)(F)F)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1csc(N2CCC(C)CC2)n1,QQDHFDLEOQUAGK-FOFJPNEYSA-N
rxn:5:189668:227203:225926,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc2c(c1)OCCCO2)N1CCCC1,SVWOHJQYSINEEP-UHFFFAOYSA-N
rxn:5:189676:227095:225871,O=C1CC(c2ccc(-c3cc(CC(=O)N4CCCC4)ccc3-c3cccc(N4C(=O)C=CC4=O)c3)cc2)C1,HEUSRUAZHSTPAU-UHFFFAOYSA-N
rxn:5:189718:225394:226191,O=[N+]([O-])c1cc(-c2cc(C3CCCC3)ccc2F)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1OC1CCOCC1,LDVCETBFDBOUEE-UHFFFAOYSA-N
rxn:5:189829:228340:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2sc(C3CC3)nc2OC)c1OC,COWCKMOQEZDCPD-UHFFFAOYSA-N
rxn:5:189908:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ncc(-c2c(C)nn(C3CCCCO3)c2C)cc1OCC1CCCCC1,ZLYZBQSPICAFBS-UHFFFAOYSA-N
rxn:5:189908:226374:226573,Cc1nc(OC(C)(C)C)ncc1-c1ncc(-c2cncnc2C2CCCCC2)cc1OCC1CCCCC1,QXIBXAOEFXHUMM-UHFFFAOYSA-N
rxn:5:189952:228653:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2cnn3c2CCCC3)c1OC,REJWOEDQEMWFHV-UHFFFAOYSA-N
rxn:5:190000:226424:226901,CC1CCCN(c2csc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)ccc3CC(=O)N3CCCCC3)c2)C1,SXZKXQQACBKCFW-UHFFFAOYSA-N
rxn:5:190177:227095:225871,O=C1CC(c2ccc(-c3ccc(N4C(=O)CC(Sc5ccc(-c6cccc(N7C(=O)C=CC7=O)c6)cc5)C4=O)cc3)cc2)C1,UEECAPWCRBMEHN-UHFFFAOYSA-N
rxn:5:190194:226835:228653,COC1CCN(Cc2cccc(-c3cc(C(F)(F)F)nn3C(C)C)c2-c2cnn3c2CCCC3)CC1,HWIRZGAPWHECDA-UHFFFAOYSA-N
rxn:5:190200:226464:227203,COc1ccc2c(c1-c1cc(CN(C)C3CCOCC3)cc(-c3ccc4c(c3)OCCCO4)c1)OCCO2,LJCSDFRHORMVTB-UHFFFAOYSA-N
rxn:5:190336:223389:228680,CCCn1nc(C)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2c(C)n[nH]c2C(F)(F)F)c1OC,HACPHHBCTLNUBJ-UHFFFAOYSA-N
rxn:5:190459:226900:226744,CCc1cc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)CCS2)cnc1C(F)(F)F,ZTHRHUXXNJFERA-UHFFFAOYSA-N
rxn:5:190833:226837:223452,Cc1n[nH]c(C)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,OAEQPGCPAUZIMY-UHFFFAOYSA-N
rxn:5:190833:229048:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnn3c2CCC3)c2c1CN(C(=O)OC(C)(C)C)C2=O,NLMDOQVIIHHRRR-UHFFFAOYSA-N
rxn:5:190998:226084:228077,COC(=O)c1cc(-c2ccc3c(c2)C(=O)OC3)ccc1N1Cc2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2OCC1=O,DDCCPSQAILGCSQ-UHFFFAOYSA-N
rxn:5:192235:226835:226054,COc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1S(N)(=O)=O,YUYZXJHYYZYCCP-UHFFFAOYSA-N
rxn:5:192236:225927:225597,COc1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,MPXJNJDVHXTUOC-UHFFFAOYSA-N
rxn:5:192236:225927:225613,COc1cc(-c2ccnc(OC3CCCCC3)c2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,XTBHSJOGUHRLEM-UHFFFAOYSA-N
rxn:5:192236:225927:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,WNJCHNLDMBKIIN-UHFFFAOYSA-N
rxn:5:192562:225927:226040,Cc1c(-c2cc(C3(C#N)CCC3)ccc2-c2cc(C(F)(F)F)ccc2N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-],SYDAWZMFGPARGB-UHFFFAOYSA-N
rxn:5:192562:226040:225927,Cc1c(-c2ccc(C3(C#N)CCC3)cc2-c2cc(C(F)(F)F)ccc2N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-],IFYJQHBMLWJGGR-UHFFFAOYSA-N
rxn:5:192564:225597:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3(C#N)CCC3)c(-c3ccc(OC4CCCCC4)nc3)c2)c1,NPMMHHLOPPDEMQ-UHFFFAOYSA-N
rxn:5:192564:225927:226040,Cc1c(-c2ccc(C3(C#N)CCC3)c(-c3cc(C(F)(F)F)ccc3N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],GYMWUZPSOFKMHT-UHFFFAOYSA-N
rxn:5:192565:225927:226040,Cc1c(-c2cc(-c3cc(C(F)(F)F)ccc3N(C)C)ccc2C2(C#N)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],GUNPPAOZQWIEEM-UHFFFAOYSA-N
rxn:5:192566:225927:226040,Cc1c(-c2cc(-c3cc(C(F)(F)F)ccc3N(C)C)cc(C3(C#N)CCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],BMYXBZFMKHSBRD-UHFFFAOYSA-N
rxn:5:192567:225927:226040,Cc1c(-c2ccc(-c3cc(C(F)(F)F)ccc3N(C)C)cc2C2(C#N)CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],AWFHBGSGPBDUBY-UHFFFAOYSA-N
rxn:5:192567:226040:225927,Cc1c(-c2ccc(-c3cc(C(F)(F)F)ccc3N(C)C)c(C3(C#N)CCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],ANMWPSLCYMUGCK-UHFFFAOYSA-N
rxn:5:193050:226424:226900,CC1CCCN(c2csc(-c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)c(C(=O)N4CCCC4)c3)c2)C1,WARVODKEIRJTLD-UHFFFAOYSA-N
rxn:5:193054:226900:225439,CC(c1cccc(-c2c(C(=O)N3CCCC3)cccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1)N1CCCC1,WVOPPCRDCWCQFZ-UHFFFAOYSA-N
rxn:5:193055:225927:226040,Cc1c(-c2cc(-c3cc(C(F)(F)F)ccc3N(C)C)ccc2C2(C#N)CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],KEXFSJIVQLCHOJ-UHFFFAOYSA-N
rxn:5:193055:226464:225514,COc1ccc2c(c1-c1ccc(C3(C#N)CCCC3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,OLBNQOUIRDDJBY-UHFFFAOYSA-N
rxn:5:193225:226466:226899,CN1C(=O)COc2cc(-c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(C(=O)N4CCOCC4)c3)ccc21,OPXNEJVCAQGFLG-UHFFFAOYSA-N
rxn:5:193226:226738:226469,CC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccc3c(c2)N(C)C(=O)CO3)c([N+](=O)[O-])c1,HNMMIZGBQHKMFH-UHFFFAOYSA-N
rxn:5:193331:225514:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCC3(CC3)CO4)ccc1CN1CCOCC1)OCCO2,JLKALEMNEFDENU-UHFFFAOYSA-N
rxn:5:193337:225514:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)cc1CN1CCOCC1)OCCO2,SDKBUOFFAQNFMV-UHFFFAOYSA-N
rxn:5:193382:226836:228198,Cc1nc(C(C)C)ncc1-c1cc(-c2cn(C(C)C)nc2C(F)(F)F)ccc1S(=O)(=O)N1CCOCC1,BCTJPVARNOYKJE-UHFFFAOYSA-N
rxn:5:193382:229048:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn3c2CCC3)ccc1S(=O)(=O)N1CCOCC1,OSYXEDNDWSTGSC-UHFFFAOYSA-N
rxn:5:193462:225439:226901,CC(c1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(CN3CCC(=O)CC3)c2)c1)N1CCCC1,YXCDSEDKNRCBHD-UHFFFAOYSA-N
rxn:5:193464:225930:227517,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(OC4COC4)nc3)c2)c1,AJPYIFYPPUCPLZ-UHFFFAOYSA-N
rxn:5:193464:226900:226900,N#CC1(c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)CCCCC1,CISOQLMSNJZSOU-UHFFFAOYSA-N
rxn:5:193465:225407:227745,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1-c1ccc(C2CCCCCC2)cc1,PWDHHILBTKHZQC-NRFANRHFSA-N
rxn:5:193465:225616:227799,C[C@H]1CCCN1C(=O)c1cccc(-c2cnc(C(F)(F)F)c(F)c2)c1-c1ccccc1C(=O)N1CCCC1,KYKNPACHTNTWFM-SFHVURJKSA-N
rxn:5:193465:225820:226966,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)c1-c1c(C2CC2)cccc1C(F)(F)F,JIGYDIFSIPMKGA-IBGZPJMESA-N
rxn:5:193465:225985:227748,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1cccc(N2CCCS2(=O)=O)c1,NYUZMYTWMIEUFQ-SFHVURJKSA-N
rxn:5:193465:226054:223216,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)CCC(=O)N3)c1-c1cnc(C(F)(F)C(F)(F)F)nc1,FNUZRQKUZGVZPO-HNNXBMFYSA-N
rxn:5:193465:226969:225978,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1ccc2c(c1)CCCC2=O,KTBXZSMLQZVBET-FQEVSTJZSA-N
rxn:5:193466:225946:227207,CC(=O)c1cc(-c2cc(-c3cccc4c3OCCC4=O)ccc2C(=O)N2CCC[C@H]2C)cc(C(F)(F)F)c1,XNMUPMBSNKMSME-QGZVFWFLSA-N
rxn:5:193466:226332:226738,CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3C)c(-c3ccccc3C(=O)N3CCC3)c2)c([N+](=O)[O-])c1,FKOPYPDJVOQHIV-LJQANCHMSA-N
rxn:5:193467:225616:227799,C[C@H]1CCCN1C(=O)c1cc(-c2cnc(C(F)(F)F)c(F)c2)ccc1-c1ccccc1C(=O)N1CCCC1,KMODDNCJHZYTNU-SFHVURJKSA-N
rxn:5:193467:225816:226919,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C3CCCC3)c2)ccc1-c1cc(C2CC2)ccc1C(F)(F)F,SOSLPJMUQJTJDE-NRFANRHFSA-N
rxn:5:193467:226742:223113,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(C#N)cc1C(F)(F)F,NOMULKJNDNWZAF-KRWDZBQOSA-N
rxn:5:193468:223145:226880,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCC(=O)N3)cc2)cccc1-c1cc(F)c(F)c(C(F)(F)F)c1,KTHDSYSSSMOSQP-FXIRQEPWSA-N
rxn:5:193468:223173:226774,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC(F)=C(F)F)cc2)cccc1-c1ccc2c(c1)C(O)CS2(=O)=O,BYQQJEVUDWCPGC-GZWBLTSWSA-N
rxn:5:193468:225815:226779,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C(F)(F)F)cc2)cccc1-c1ccc(C2CC2)cc1C(F)(F)F,LGPDUKQCQYIBKN-KRWDZBQOSA-N
rxn:5:193468:225871:227679,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccc2c(c1)OC(F)(F)O2,HFAJFBNDWFEELG-KRWDZBQOSA-N
rxn:5:193468:225942:227095,CC(C)c1ncc(-c2cccc(-c3ccc(C4CC(=O)C4)cc3)c2C(=O)N2CCC[C@@H]2C)cc1C(F)(F)F,FNWWPFFZTPNMHV-IBGZPJMESA-N
rxn:5:193468:226031:226966,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)C(=O)CCC3)cccc1-c1ccc(C(F)(F)F)cc1C(F)F,JQTOPIVVEJPYPX-KRWDZBQOSA-N
rxn:5:193468:226042:225452,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC3C=CCCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,HGSXMHMBGSLABD-AJZOCDQUSA-N
rxn:5:193468:226049:227207,C[C@H]1CCCN1C(=O)c1c(-c2cc(F)c(OC(F)(F)F)c(F)c2)cccc1-c1cccc2c1OCCC2=O,MPPHXMIJBNKNGG-HNNXBMFYSA-N
rxn:5:193506:225987:227197,CN1Cc2ccc(-c3cc(-c4ccc(N5CCCS5(=O)=O)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc2C1=O,UHALCYQYNKRSFD-UHFFFAOYSA-N
rxn:5:193506:226185:228974,CS(=O)(=O)n1cc(-c2cc(-c3ccc(C4CCOCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,OGYBBJSJTYTLSJ-UHFFFAOYSA-N
rxn:5:193506:226333:226738,CC(=O)c1ccc(-c2cc(-c3cccc(C(=O)N4CCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c([N+](=O)[O-])c1,VFDBURDTJLSGKC-UHFFFAOYSA-N
rxn:5:193506:226837:228198,Cc1nc(C(C)C)ncc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1S(=O)(=O)N1CCC(=O)CC1,NGIGPNMJQKSPGM-UHFFFAOYSA-N
rxn:5:193506:226901:228193,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cnn(C3CCCC3)c2)CC1,CYADNYGYUAWXBD-UHFFFAOYSA-N
rxn:5:193506:227279:223439,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C(F)(F)F)[nH]n2)c1,LJWDUMYMEVXEKO-UHFFFAOYSA-N
rxn:5:193506:227613:228306,CC(C)Sc1ncc(-c2cc(-c3cnn(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,SUUKVZQLHQXZSN-UHFFFAOYSA-N
rxn:5:193506:227735:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2cnc(C)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,HYHHSQVNZZHDKP-UHFFFAOYSA-N
rxn:5:193506:227804:226186,O=C1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2-c2ccccc2C2CCOCC2)CC1,ZOGZRRFATRBSOG-UHFFFAOYSA-N
rxn:5:193506:227804:227863,O=C1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2-c2ccc3c(c2)CCCO3)CC1,APCIHGLUXXRUTJ-UHFFFAOYSA-N
rxn:5:193506:228195:226836,Cc1nn(C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cn(C(C)C)nc2C(F)(F)F)c1,UFRQBGNZGKRFML-UHFFFAOYSA-N
rxn:5:193506:228455:226652,COc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C)nn3C3CCCCO3)c2)c(OC)n1,HCOHSANIJOSYBE-UHFFFAOYSA-N
rxn:5:193506:228495:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccn(CC(F)(F)F)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,VMCGEGCNVGUGEK-UHFFFAOYSA-N
rxn:5:193506:228498:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cn(C)nc2C(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,PJVXFRAUOKVZFA-UHFFFAOYSA-N
rxn:5:193506:228680:223186,CCCn1nc(C)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(C3CCCCO3)c2)c1,XZHSRQHZBOVNDP-UHFFFAOYSA-N
rxn:5:193506:228704:226686,CCn1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3c(C)cnn3C3CCCCO3)c2)c1C,MKNIIDMHYYHILE-UHFFFAOYSA-N
rxn:5:193506:229049:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc3n2CCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,UZYLSAKIXGIPBY-UHFFFAOYSA-N
rxn:5:193506:229084:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2scnc2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,XSPIWTXVSSEGMT-UHFFFAOYSA-N
rxn:5:193506:229147:225987,COCn1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)n1,MKVJDDPYSOLZIU-UHFFFAOYSA-N
rxn:5:193540:226464:225514,COc1ccc2c(c1-c1ccc(CN3CCCCC3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,XMTUFTVKEXEKLC-UHFFFAOYSA-N
rxn:5:193541:225514:226464,COc1ccc2c(c1-c1cc(CN3CCCCC3)cc(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,MUHZWFIYOSAXCW-UHFFFAOYSA-N
rxn:5:193681:223064:227419,CN1CCC(Oc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(C3CCC3)nc2F)CC1,UARQWLPQXNNSKA-UHFFFAOYSA-N
rxn:5:193710:226901:226900,O=C1C(=Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)SC(=S)N1c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1,ABHMUVACUHDOFD-UHFFFAOYSA-N
rxn:5:193749:226900:227761,CC1CCCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(F)cc1C(F)(F)F,OIYSXCDEAHKDOH-UHFFFAOYSA-N
rxn:5:193749:227894:226031,CC1CCCCN1C(=O)c1cc(-c2cccc(/C=C/C#N)c2)ccc1-c1ccc(C(F)(F)F)cc1C(F)F,ZTJWCZDIXSHCCW-VMPITWQZSA-N
rxn:5:193750:226901:226900,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,MTSCJQIBGJHIKV-UHFFFAOYSA-N
rxn:5:193754:226901:228200,CC1CCN(C(=O)c2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2ccnn2C2CCCC2)CC1,VFHWTVUKJWBSQB-UHFFFAOYSA-N
rxn:5:193755:225871:228077,CC1CCCN(C(=O)c2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2-c2ccc3c(c2)C(=O)OC3)C1,GEPBVOUGVRSHQV-UHFFFAOYSA-N
rxn:5:193869:228653:226883,Cc1cc(-c2cnn3c2CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1c(F)ccc(C(F)(F)F)c1F,RXVJHCVOXXAAKJ-UHFFFAOYSA-N
rxn:5:193870:223389:226686,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)cnn2C2CCCCO2)cc1-c1c(C)n[nH]c1C(F)(F)F,RMYDIVJXTQFMEO-UHFFFAOYSA-N
rxn:5:193870:226028:228653,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn3c2CCCC3)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,OJOHUQBZSJHLLI-UHFFFAOYSA-N
rxn:5:193870:226836:229079,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2csc(C3CC3)n2)cc1-c1cn(C(C)C)nc1C(F)(F)F,JMYDZKUSFOCDQL-UHFFFAOYSA-N
rxn:5:193870:227613:223388,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(S(=O)(=O)O)cc2)cc1-c1cnn(C2CCOCC2)c1,JGZLNFYUYPURLC-UHFFFAOYSA-N
rxn:5:193870:228366:226181,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3=CCCCC3)nc2)cc1-c1cnc(N(C)C)c(F)c1,PYMGPFWIULROOD-UHFFFAOYSA-N
rxn:5:193870:228366:226729,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCOC3)nc2)cc1-c1cnc(N(C)C)c(F)c1,NHXVMBWHMROBKS-UHFFFAOYSA-N
rxn:5:193870:228653:226744,CCc1cc(-c2cc(-c3cnn4c3CCCC4)c(C)cc2S(=O)(=O)N2CCCCC2)cnc1C(F)(F)F,GBZCYGFTXLMAOR-UHFFFAOYSA-N
rxn:5:193912:226900:223143,O=C1CS(=O)C(c2ccc(-c3cccc(N4CCC(O)C4)c3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,MBPXYCGSYGRUHI-UHFFFAOYSA-N
rxn:5:193967:223342:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)OCCN4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,ANAYQZFGQAYAFY-UHFFFAOYSA-N
rxn:5:193967:223378:226464,COc1ccc2c(c1-c1cc(-c3cnc4c(c3)NCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,WAZHRXZILNQJSK-UHFFFAOYSA-N
rxn:5:193967:223396:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)NCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,QNOSHAWATGLEEC-UHFFFAOYSA-N
rxn:5:193967:223397:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCN4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,OMYODTHRGDFHQU-UHFFFAOYSA-N
rxn:5:193967:226464:223378,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cnc4c(c3)NCCO4)c1)OCCO2,AQBSFSPOKOCXBA-UHFFFAOYSA-N
rxn:5:193967:226464:227875,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CCCO4)c1)OCCO2,AJHQVAFNAHQRFC-UHFFFAOYSA-N
rxn:5:193967:226464:228063,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cnc4c(c3)COCC4)c1)OCCO2,OOBQDDJBSWIAOC-UHFFFAOYSA-N
rxn:5:193967:226971:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCCOC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,UGSVNHICSOEFFX-UHFFFAOYSA-N
rxn:5:193967:227807:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3CCCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,CRUOSXGQPAOAAQ-UHFFFAOYSA-N
rxn:5:193967:227808:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,CLOAAVFGZUOAQB-UHFFFAOYSA-N
rxn:5:193967:227861:226464,COc1ccc2c(c1-c1cc(-c3cnc4c(c3)CCCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,VEMRALUNMBZYSI-UHFFFAOYSA-N
rxn:5:193967:227867:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,IRURMQWSMLQJBD-UHFFFAOYSA-N
rxn:5:193967:227868:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)OCCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,FLZBILXCYVUSLV-UHFFFAOYSA-N
rxn:5:193967:227868:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)OCCC3)ccc1CN1CCC2(CC1)OCCO2,MQEGENSLOMGLOZ-UHFFFAOYSA-N
rxn:5:193967:228062:226464,COc1ccc2c(c1-c1cc(-c3cncc4c3CCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,ZLGMEMBPSYCLTM-UHFFFAOYSA-N
rxn:5:193967:228063:226464,COc1ccc2c(c1-c1cc(-c3cnc4c(c3)COCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,YXXXYSZNJHRPGX-UHFFFAOYSA-N
rxn:5:193967:228524:226464,COc1ccc2c(c1-c1cc(-c3cnc4c(c3)CCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,GYSIUCAFUDFSSY-UHFFFAOYSA-N
rxn:5:193967:228527:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,YGNAXXSKMJMQHF-UHFFFAOYSA-N
rxn:5:193968:222417:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnc(=O)[nH]c2C(C)C)cc1CN1CCC2(CC1)OCCO2,CIHWAMURSFCLOG-UHFFFAOYSA-N
rxn:5:193968:223342:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCCN4)cc1CN1CCC3(CC1)OCCO3)OCCO2,MJVHNWATWVHXLV-UHFFFAOYSA-N
rxn:5:193968:223378:226464,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)NCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FZWXBHJOZBRIJE-UHFFFAOYSA-N
rxn:5:193968:223397:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCN4)cc1CN1CCC3(CC1)OCCO3)OCCO2,NVOJFEHGFVMSPA-UHFFFAOYSA-N
rxn:5:193968:226464:223378,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)NCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,XHIJPZBMKNTKDT-UHFFFAOYSA-N
rxn:5:193968:226464:227867,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,MHCPMVNVEPATLP-UHFFFAOYSA-N
rxn:5:193968:226464:227875,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,SLSDTGAQLBTHIQ-UHFFFAOYSA-N
rxn:5:193968:226464:228062,COc1ccc2c(c1-c1ccc(-c3cncc4c3CCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,KGDSEMLBKTXKKP-UHFFFAOYSA-N
rxn:5:193968:226464:228063,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)COCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,BQBFUGICRHHGBF-UHFFFAOYSA-N
rxn:5:193968:227808:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)CCCC3)cc1CN1CCC2(CC1)OCCO2,WMGOSGYXCQDFAR-UHFFFAOYSA-N
rxn:5:193968:227861:226464,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)CCCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,JJCHPTVOBUALOI-UHFFFAOYSA-N
rxn:5:193968:227867:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,MXJXFOPOKBQKEW-UHFFFAOYSA-N
rxn:5:193968:227868:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)OCCC3)cc1CN1CCC2(CC1)OCCO2,BVQPWTNVLZXWAK-UHFFFAOYSA-N
rxn:5:193968:228062:226464,COc1ccc2c(c1-c1ccc(-c3cncc4c3CCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,IRRJMJCELKYSFN-UHFFFAOYSA-N
rxn:5:193968:228063:226464,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)COCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,QAVPJUSTNAIZMR-UHFFFAOYSA-N
rxn:5:193968:228454:226836,COc1cc(-c2ccc(-c3cn(C(C)C)nc3C(F)(F)F)c(CN3CCC4(CC3)OCCO4)c2)c(OC)nn1,MBNDEYIDCNBSPP-UHFFFAOYSA-N
rxn:5:193968:228524:226464,COc1ccc2c(c1-c1ccc(-c3cnc4c(c3)CCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,IHFRTRLQLBJBFW-UHFFFAOYSA-N
rxn:5:193968:228527:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FQQITKTUDMQBPI-UHFFFAOYSA-N
rxn:5:193968:228530:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,AHRCGSJHKXTTIK-UHFFFAOYSA-N
rxn:5:193972:226837:228499,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(F)(F)F)nn1C,PYGCVIQHOBGETD-UHFFFAOYSA-N
rxn:5:193972:229048:226837,Cc1cc(-c2cnn3c2CCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)nn(CC(F)(F)F)c1C,OQONYNOWIKVATJ-UHFFFAOYSA-N
rxn:5:194399:226901:226901,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CC2CC2C1,ZZKAULAESSPFDS-UHFFFAOYSA-N
rxn:5:194733:226901:228434,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(C(F)F)c(F)c1)N1C2CCC1CC(=C1CC1)C2,UZHWHLOMFFFDIG-UHFFFAOYSA-N
rxn:5:194733:227659:223205,Cc1c(-c2ccc(-c3cc4c(C#N)cccc4[nH]3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cccc1C(F)(F)F,JJIVXNSIHFQZML-UHFFFAOYSA-N
rxn:5:194733:227663:228509,Cc1ccc(-c2ccc(-c3ccc(C(C)C)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1C(F)(F)F,FJRGXXNNINQWQP-UHFFFAOYSA-N
rxn:5:194733:227672:229226,Cc1cccc(-c2ccc(-c3ccc(C#N)s3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1C(F)(F)F,XVYXZRDIGFNSJT-UHFFFAOYSA-N
rxn:5:194733:227895:228829,Cc1c(F)cc(-c2ccc(-c3ccc(C=CC#N)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1F,FMIHDRNUVGONQG-UHFFFAOYSA-N
rxn:5:194733:228263:227894,CC(F)(F)c1ccc(-c2ccc(-c3cccc(/C=C/C#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,BBJKTLDEPJBAFJ-HWKANZROSA-N
rxn:5:194733:228626:227985,CCc1cccc(-c2ccc(-c3ccc(F)c(C(C)C)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1F,LRFQTHZCQKIQMH-UHFFFAOYSA-N
rxn:5:196198:225871:227386,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2cnn(C3CCCCC3)c2)c1,MNNQWJBJHFNOLQ-UHFFFAOYSA-N
rxn:5:196408:225633:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccc(N4CCCCCC4)nc3)c2)c1,NXIGPGLHLAAXKF-UHFFFAOYSA-N
rxn:5:196408:225802:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(OC3CCCC3)nc2F)c1,VWJVOKAXLKBNAO-UHFFFAOYSA-N
rxn:5:196408:225802:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(OC3CCCC3)nc2F)c1,AFUKTPRZZMNENH-UHFFFAOYSA-N
rxn:5:196408:225802:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccc(OC4CCCC4)nc3F)c2)c1,GACYCZRRMGSSJT-UHFFFAOYSA-N
rxn:5:196408:225833:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccnc(N4CCCCC4)c3F)c2)c1,TYTIKGRXPRBCEC-UHFFFAOYSA-N
rxn:5:196408:225849:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2cnc(N3CCCCC3)cc2F)c1,HTQGBYDPRSUTGO-UHFFFAOYSA-N
rxn:5:196620:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCCO3)c2)ccc1N1CCCC1=O,AYUBOBPHOBJOLM-UHFFFAOYSA-N
rxn:5:196793:226319:225873,O=C(c1ccc(-c2ccc(N3CCOCC3=O)cc2-c2cccc(N3CCOCC3=O)c2)cc1)N1CCC1,WKQUVNCUMUFWDQ-UHFFFAOYSA-N
rxn:5:196795:225616:226899,O=C(c1ccccc1-c1cc(N2CCOCC2=O)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1,SWWHRWMFASNJMV-UHFFFAOYSA-N
rxn:5:196923:226901:225439,CC(c1cccc(-c2cc(N3CCCCC3=O)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CCCC1,BEIFHRHXKUCGNH-UHFFFAOYSA-N
rxn:5:197526:225617:226783,COc1cc(F)c(F)c(OC)c1-c1c(-c2ccc(OC3CCCCO3)cc2)ccc2c1C(=O)CN2C(C)=O,KNJCIQRXYXCRDZ-UHFFFAOYSA-N
rxn:5:197876:226049:223438,CC(C)(C)N1C(=O)c2cc(-c3cn[nH]c3C(F)(F)F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2S1(=O)=O,QZNINACSAFSGBW-UHFFFAOYSA-N
rxn:5:197876:227279:228194,Cc1nn(C(C)C)c(C)c1-c1cc2c(cc1-c1cc(C3CC3)nn1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,MLKUCIZUHJWXSS-UHFFFAOYSA-N
rxn:5:197876:227766:228500,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cnc(C(F)(F)F)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,XVUPCBQMTQOUPH-UHFFFAOYSA-N
rxn:5:225655:196979:225931,Cc1cc(-c2cc(-c3cncc(N4CCC(C)CC4)c3)cc(N3CCCCC3)c2)cc(S(=O)(=O)N(C)C)c1,HLJTVCBRDXOJOM-UHFFFAOYSA-N
rxn:4:173306:224397,CCOC(=O)C(=O)CC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c1,RHJLGTWHTIELOO-UHFFFAOYSA-N
rxn:4:173360:223846,CCOC(=O)CC(=O)c1cc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)ccc1OC,YQTPZXBLSGCJTM-UHFFFAOYSA-N
rxn:4:173385:223901,COC(=O)CCCOc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)cc1C,FTHKYRUNFDJVLF-UHFFFAOYSA-N
rxn:4:173590:223712,CCCCOc1c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C(C)(C)C)cc1C(C)(C)C,FYYKXBDQABVRPQ-UHFFFAOYSA-N
rxn:4:173819:223597,COCCCOc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,HZOOXNWBOHUGSP-UHFFFAOYSA-N
rxn:4:173836:223696,CCOC(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,VUFQSWJZMNRJKW-UHFFFAOYSA-N
rxn:4:173911:223696,COC(=O)Cc1ccc(C(=O)OC)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,HNPBVDNARJPNTO-UHFFFAOYSA-N
rxn:4:174076:223840,COC(=O)c1cc(F)c(OCC2CC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,JGFRARWDLHPLKS-UHFFFAOYSA-N
rxn:4:174188:223813,CCOC(C)(OCC)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,PWLVOCFSJVNZMI-UHFFFAOYSA-N
rxn:4:174246:223999,COC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,IEQHSOWOWZPQMA-UHFFFAOYSA-N
rxn:4:174447:222522,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c(-c2ccc(F)cc2F)cc1OC(C)C,IQURYMUHIZFLTP-UHFFFAOYSA-N
rxn:4:174525:223712,CCCOc1c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C(C)(C)C)cc1C(C)(C)C,IBJMLUWTQCHREX-UHFFFAOYSA-N
rxn:4:174581:223683,COC(=O)c1c(C)oc2ccc(OCc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3)cc12,LICSDISLTIHKCK-UHFFFAOYSA-N
rxn:4:174663:222420,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,QQHVSMHJOAAXSK-IJSUORRQSA-N
rxn:4:174663:223609,CC1(C)c2ccccc2-c2c1cc(-c1ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc1)c1ccccc21,BJIZYFRHCMMFPH-WWIVOJJXSA-N
rxn:4:174663:225034,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(Oc3ccc(F)cc3)c2)cc1,SAVGDZLDHYFSLV-QNEAORKJSA-N
rxn:4:174663:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,JKUZRCDOTRNKPF-XHCDPWOSSA-N
rxn:4:174663:226560,CCOc1cc(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1OC,SINADCFZUNGVOY-HGERQNRQSA-N
rxn:4:174663:226790,Cc1ccn(-c2ncc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cn2)n1,SVBFOOIACBYNTG-OUYRWIGOSA-N
rxn:4:174663:227235,CCOc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C#N,XZLSAQLKBQGHQN-AMNGXLNPSA-N
rxn:4:174663:228117,CC(C)Oc1cncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,GEVWCMIWYHALPO-MCPNDBPUSA-N
rxn:4:174663:228166,CCOc1cc(Cl)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,NHNCJLOGMYXQNJ-MCPNDBPUSA-N
rxn:4:174663:228360,CC(C)c1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)n1,JCQKVIUZPWIHBV-SSFXTOADSA-N
rxn:4:174663:228489,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1,ZOJAWMHWDGZVNB-IJSUORRQSA-N
rxn:4:174663:228833,Cc1ccc(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1F,ZBSZMVYZKZRORZ-HHMMATJQSA-N
rxn:4:174663:229051,CCCn1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,OALDULHMXMSFQQ-PDMYYMTQSA-N
rxn:4:174790:223526,CCOC(=O)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,FNVUWCJNPCURJX-UHFFFAOYSA-N
rxn:4:175315:222513,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)ccc1OC(C)C,RPSOQVPBMMTUEZ-UHFFFAOYSA-N
rxn:4:175792:222513,COC(=O)c1ccccc1-c1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c(C(F)(F)F)c1,LPLFLBHAUMLZDE-UHFFFAOYSA-N
rxn:4:175797:223786,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1-c1ccc(C(F)(F)F)cc1,MEEJZISXBNYNOI-UHFFFAOYSA-N
rxn:4:175799:223597,COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,XETCLYLLMQPUFY-UHFFFAOYSA-N
rxn:4:175827:222634,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(OCCNC2CCCC2)c(F)c1,QZBSIURPDDAYEQ-UHFFFAOYSA-N
rxn:4:175938:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc(C(C)(C)C)c1OC,WXZIAYGUTKYHHP-UHFFFAOYSA-N
rxn:4:175966:223659,COC(=O)c1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)c1ccccc1C,ULNZPCYROAXSJV-UHFFFAOYSA-N
rxn:4:176085:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)cc21,ROHNGCRWAHHJGY-UHFFFAOYSA-N
rxn:4:176119:223505,CC(C)(C)OC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(-c2ccc(Cl)cc2F)c1,DHLDZJVKNVVFKF-UHFFFAOYSA-N
rxn:4:176215:223597,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,VIGKNTFAUOFFDH-UHFFFAOYSA-N
rxn:4:176215:223598,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc21,OZVLCCUVUGPQMD-UHFFFAOYSA-N
rxn:4:176215:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCCC4OCCOC)c(F)c2)CC1,VRQZMSWHJORIIA-RZWCHVLBSA-N
rxn:4:176215:224182,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCOCC4)c(C)c3)ccc21,RCUONGFFGHZXOB-UHFFFAOYSA-N
rxn:4:176215:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)OCCCC4OCCOC)c(F)c2)CC1,IOLLASXXMOTTOY-UHFFFAOYSA-N
rxn:4:176215:224267,COCCOC1CCCOc2cc(-c3cccc(N4CCC5(CC4)OCCO5)c3)ccc21,CJWBWTQHVQLMRS-UHFFFAOYSA-N
rxn:4:176215:224286,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)ccc21,ACOKLNYBLOOCPU-UHFFFAOYSA-N
rxn:4:176215:224290,COCCOC1CCCOc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc21,QBPCXQHAVVVNKX-UHFFFAOYSA-N
rxn:4:176418:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,KZXSVQZRTJCBOD-UHFFFAOYSA-N
rxn:4:176731:223575,COC(=O)c1ccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1C(F)(F)F,BTRGANUUPXQWAL-UHFFFAOYSA-N
rxn:4:178173:223754,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc1SC1CCOCC1,BTWXNEYLGWCBFR-UHFFFAOYSA-N
rxn:4:178384:225542,CCCCCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F,UWNPNJCERDYRCZ-UHFFFAOYSA-N
rxn:4:178384:226225,COCCOCc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,YCXUFXZUJSTMBF-UHFFFAOYSA-N
rxn:4:178384:226227,COCCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,IFTOZWWWSWTIRK-UHFFFAOYSA-N
rxn:4:178384:226229,COCCCOc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,IJADOMYCUJSYOI-UHFFFAOYSA-N
rxn:4:178384:226255,CCCCOc1ccc(Cl)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IFVLHTOIWKDHPM-UHFFFAOYSA-N
rxn:4:178384:226259,CCCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,JDDQMCUVHGYDQM-UHFFFAOYSA-N
rxn:4:178384:226780,COc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(OC)c1Cl,FNMGAZRTWDOSPM-UHFFFAOYSA-N
rxn:4:178384:226984,CCCOCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,LSVXMMUORAJYMN-UHFFFAOYSA-N
rxn:4:178384:227220,CCOCSc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,WHRPLJMIVQIKAN-UHFFFAOYSA-N
rxn:4:178384:227263,CCOCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,BUAHCCFFAHISPL-UHFFFAOYSA-N
rxn:4:178384:227267,CCOCc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1F,UHDBKTAVULLUTG-UHFFFAOYSA-N
rxn:4:178384:227270,CCOCc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,OWRRXWZIBJLQCJ-UHFFFAOYSA-N
rxn:4:178384:227882,CCOCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,MRPWWOHZBCRRNE-UHFFFAOYSA-N
rxn:4:178384:227883,CCOCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,WBULGEAIVOHERP-UHFFFAOYSA-N
rxn:4:178384:227887,COCCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,WLYOAOXHQVJRED-UHFFFAOYSA-N
rxn:4:178384:227890,CCOCc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,DNALYJQCTUASFS-UHFFFAOYSA-N
rxn:4:178384:228333,COc1nccc(SC)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,LQLPOPCFUPHLIB-UHFFFAOYSA-N
rxn:4:178564:224330,O=C1CCN(C(=O)c2cc(-c3ccc4oc(=O)c(C(=O)OC5CCCCC5)cc4c3)ccc2Cl)CC1,MBGPBZCNWYRAQM-UHFFFAOYSA-N
rxn:4:179546:223532,CCOc1cc(Cl)c(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,KDYZLNJLHWVKMF-UHFFFAOYSA-N
rxn:4:179653:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c3)cc2)CC1,XXTYDCSCYHUFTI-WKILWMFISA-N
rxn:4:179834:223525,CC(=O)[C@H]1C[C@@H]1c1cccc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,RCDQHAVDBFSUBB-DNQXCXABSA-N
rxn:4:180022:223527,COc1c(Cl)ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1C1OCCO1,FYDWMFMNONANOK-UHFFFAOYSA-N
rxn:4:180085:223597,COC1(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CCC1,IPZFHIPDVNZJRM-UHFFFAOYSA-N
rxn:4:180085:223598,COC1(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)CCC1,UQGPXISIYLYTGI-UHFFFAOYSA-N
rxn:4:180088:223597,COC1(c2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CCC1,WZZFYCUBJQBQND-UHFFFAOYSA-N
rxn:4:180088:223598,COC1(c2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CCC1,XSVLXVYNPXPUKV-UHFFFAOYSA-N
rxn:4:180390:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C4CC4)cc3C3CCCO3)c2)CC1,JCCFNGFOYXCMAL-UHFFFAOYSA-N
rxn:4:180447:224676,CN1CCN(C(=O)c2ccccc2-c2ccccc2CC2C(=O)OC(C)(C)OC2=O)CC1,SHXZDEZLCCKBPF-UHFFFAOYSA-N
rxn:4:180509:225277,COC(=O)c1c(OC)cc(-c2cc(OC)ccc2C=C2C(=O)OC(C)(C)OC2=O)cc1OC,SXSWGYOFMXMZGK-UHFFFAOYSA-N
rxn:4:180527:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c(F)c2)CC1,BVQTXBFOEIYCGC-ALOJWSFFSA-N
rxn:4:180708:223815,COC(=O)c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc2c1CCCC2=O,UNNYYXIOECQZLD-UHFFFAOYSA-N
rxn:4:180772:223712,CCC1(CC)CCc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2C1=O,KATGCQYMGPDWPO-UHFFFAOYSA-N
rxn:4:182354:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c2c1OC1(CCCC1)C2,AGDMMEPNADGMPB-UHFFFAOYSA-N
rxn:4:183169:223659,Cc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c2c1CCC2=O,KPLCULJNVYRSEI-UHFFFAOYSA-N
rxn:4:183272:228319,COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1OC,XMIUMTSDULLNOW-UHFFFAOYSA-N
rxn:4:183273:228121,CCOc1nccc(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,XYOSFLMILYEUDD-UHFFFAOYSA-N
rxn:4:183273:228698,CCC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,NZTRPWKZLXWMNF-UHFFFAOYSA-N
rxn:4:183274:229069,COc1ncccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,AZJMSJJQNVXZKV-UHFFFAOYSA-N
rxn:4:183379:224685,CC1(C)C=Cc2c3c(cc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)c2O1)C(=O)OC(C)(C)O3,VBZAJIHAJAKPNZ-UHFFFAOYSA-N
rxn:4:183549:222621,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(CC(C)C)nc(C2CCCNC2)c1,GYDIIPBGQWMGPU-UHFFFAOYSA-N
rxn:4:183549:222623,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(C(C)CC)nc(C2CCNCC2)c1,OLXHTXZOHQOSQQ-UHFFFAOYSA-N
rxn:4:183549:222624,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(CC(C)C)nc(C2CCNCC2)c1,ZNBWTZJNKTXUGE-UHFFFAOYSA-N
rxn:4:183549:223534,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,RYNGIIGOQPKIME-UHFFFAOYSA-N
rxn:4:183549:223588,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,GWKXIDAXJAOLRS-UHFFFAOYSA-N
rxn:4:183549:223683,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,HSBRPMJNSWGQGN-UHFFFAOYSA-N
rxn:4:183549:223687,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,XFEAMORVVSQVMS-UHFFFAOYSA-N
rxn:4:183552:222389,CCOC(=O)Cc1cc(OC)c(C#N)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AFNWRWKBBRJJPW-UHFFFAOYSA-N
rxn:4:183552:222624,CCOC(=O)Cc1cc(OC)c(C#N)cc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,DRYMERJUVBMLDZ-UHFFFAOYSA-N
rxn:4:183553:223588,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,JTPMIVCBYUBLQF-UHFFFAOYSA-N
rxn:4:183555:223683,CCOC(=O)Cc1cc(C#N)c(OC)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,CUZWULZIXLJIEG-UHFFFAOYSA-N
rxn:4:183556:222624,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(CC(C)C)nc(C2CCNCC2)c1,JTIZMFXREDGLIE-UHFFFAOYSA-N
rxn:4:183556:223918,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(C(=O)N(C)C2CCCCC2)ccc1F,JPNMMQFRXQSORW-UHFFFAOYSA-N
rxn:4:183558:223588,CCOC(=O)Cc1ccc(OC)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1C#N,HOLQOEWDAKIIRM-UHFFFAOYSA-N
rxn:4:183558:223918,CCOC(=O)Cc1ccc(OC)c(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c1C#N,HEVVXMGDXFNINA-UHFFFAOYSA-N
rxn:4:183559:223588,CCOC(=O)Cc1cc(OC)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1C#N,FIZLLMPKUWHGJL-UHFFFAOYSA-N
rxn:4:183559:223743,CCOC(=O)Cc1cc(OC)cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1C#N,CBWPNJGXPQTKFV-UHFFFAOYSA-N
rxn:4:183559:223918,CCOC(=O)Cc1cc(OC)cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c1C#N,DVXWHVXSCDJTDL-UHFFFAOYSA-N
rxn:4:183559:223922,CCOC(=O)Cc1cc(OC)cc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)c1C#N,AIQMXGFFNKEPBK-UHFFFAOYSA-N
rxn:4:183560:222623,CCOC(=O)Cc1c(OC)ccc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)c1C#N,ALDPHDMSPXTZBM-UHFFFAOYSA-N
rxn:4:183566:223922,CCOC(=O)Cc1ccc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)c(OC)c1C#N,GZQBGYOQNSTEFK-UHFFFAOYSA-N
rxn:4:183566:224196,CCOC(=O)Cc1ccc(-c2cc(F)cc(CN3CCN(CC)CC3)c2)c(OC)c1C#N,BRKRUTFQPCAWQE-UHFFFAOYSA-N
rxn:4:183568:222389,CCOC(=O)Cc1c(C#N)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1OC,JTPAFNLUSLNVNB-UHFFFAOYSA-N
rxn:4:183568:223534,CCOC(=O)Cc1c(C#N)cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1OC,QGNVUYISNPJRIC-UHFFFAOYSA-N
rxn:4:183568:223683,CCOC(=O)Cc1c(C#N)cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1OC,JDDLTZACHOFOHT-UHFFFAOYSA-N
rxn:4:183568:223687,CCOC(=O)Cc1c(C#N)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1OC,QTJIOJWOKDXQGH-UHFFFAOYSA-N
rxn:4:183570:223683,CCOC(=O)Cc1cc(C#N)c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(OC)c1,IHFYYGQYXLBUSS-UHFFFAOYSA-N
rxn:4:183572:223922,CCOC(=O)Cc1cc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)cc(OC)c1C#N,XQIZLOMAYQNHMW-UHFFFAOYSA-N
rxn:4:183572:224196,CCOC(=O)Cc1cc(-c2cc(F)cc(CN3CCN(CC)CC3)c2)cc(OC)c1C#N,GWFWRXGHYSGGGR-UHFFFAOYSA-N
rxn:4:183573:222621,CCOC(=O)Cc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c(OC)cc1C#N,GHDZESHMSYWWEQ-UHFFFAOYSA-N
rxn:4:183573:222623,CCOC(=O)Cc1cc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)c(OC)cc1C#N,BMGJWLPPESWPBC-UHFFFAOYSA-N
rxn:4:183573:223534,CCOC(=O)Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(OC)cc1C#N,GESRCKDRRIXUFK-UHFFFAOYSA-N
rxn:4:183573:223651,CCOC(=O)Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(OC)cc1C#N,PRZAFOAHGUGIRF-UHFFFAOYSA-N
rxn:4:183573:223743,CCOC(=O)Cc1cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c(OC)cc1C#N,JTMMRQNYUOEDJO-UHFFFAOYSA-N
rxn:4:183573:223918,CCOC(=O)Cc1cc(-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)c(OC)cc1C#N,PKWHURQAXXMYJV-UHFFFAOYSA-N
rxn:4:183573:223922,CCOC(=O)Cc1cc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)c(OC)cc1C#N,VOBUMQKSAZBFGJ-UHFFFAOYSA-N
rxn:4:183576:222623,CCOC(=O)Cc1c(-c2cc(C(C)CC)nc(C3CCNCC3)c2)ccc(OC)c1C#N,ZVYGCHYBNDLPAW-UHFFFAOYSA-N
rxn:4:183576:223534,CCOC(=O)Cc1c(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)ccc(OC)c1C#N,NCIPNRCVGCLXEL-UHFFFAOYSA-N
rxn:4:183600:224830,CS(=O)(=O)CCCOc1ncc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1C(F)(F)F,QYLUKWYYHJZMDC-UHFFFAOYSA-N
rxn:4:183602:223748,CN(C)CCOc1cc(OC(F)(F)F)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,ZZMIRWHCVPSOSE-UHFFFAOYSA-N
rxn:4:183646:227205,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCCO3)cc1OCC(F)(F)F,MPEREBAZGZHXRW-UHFFFAOYSA-N
rxn:4:183655:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OCCN(C)C)cc(C(=O)OC)c3)cc2)CC1,LUTCDWAOIRUNOU-HZCBDIJESA-N
rxn:4:183804:225227,CC1CCN(c2ncc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)cc2Cl)CC1,PJCPNTBEDFBCGY-UHFFFAOYSA-N
rxn:4:183842:227530,COC(=O)c1ccc(F)c(-c2ccc(OC(F)(F)F)cc2OCCN2CCOC(C)C2)c1,KTVQJUNMGSABOI-UHFFFAOYSA-N
rxn:4:183870:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)c2Cl)CC1,JANCRKBHQBHHDT-UHFFFAOYSA-N
rxn:4:183870:225232,CC1CCN(c2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)cnc2Cl)CC1,SQDJFMQKEIPFBU-UHFFFAOYSA-N
rxn:4:183877:222929,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cnc(Cl)c(N3CCC(O)CC3)c2)C1,KVLYBQHEPZSHPI-UHFFFAOYSA-N
rxn:4:183877:224997,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc(C(=O)N3CCCCC3)cc2)C1,QGUKWTDVBPFHBD-UHFFFAOYSA-N
rxn:4:183878:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(Cl)cc(OCC4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,SLMCXFCMYCIXKJ-UHFFFAOYSA-N
rxn:4:183879:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(Cl)c(OCC2CN(C(=O)OC(C)(C)C)C2)c1,QFNXURCPPZJMOQ-UHFFFAOYSA-N
rxn:4:183881:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3F)c2)CC1,ITHQXUMQDZBHCY-UHFFFAOYSA-N
rxn:4:183882:223637,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)C1,XRVWPGYXOVQZBS-UHFFFAOYSA-N
rxn:4:183882:226896,COCn1cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)c(C(F)(F)F)n1,APJDCUOVAONBGY-UHFFFAOYSA-N
rxn:4:183888:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC)c(S(=O)(=O)N(CC)Cc4ccccc4)c3)cc2C)CC1,ULHPHIVTWWUTEV-UHFFFAOYSA-N
rxn:4:183902:225514,COC1CCN(CCCOc2c(F)cccc2-c2cccc3c2OCC2(CC2)CO3)CC1,VFNHIHDHWFXWFR-UHFFFAOYSA-N
rxn:4:183917:223976,COc1ccc(COc2c(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cccc2S(=O)(=O)N(C)C)cc1,ACMMWQXKZSQEJQ-UHFFFAOYSA-N
rxn:4:183943:223818,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc2)C1,DPKKSMARWQGZGB-UHFFFAOYSA-N
rxn:4:183966:223741,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(CN4CCCc5ccccc54)ccc3F)c2)C1,DZMRXJLAESRHPZ-UHFFFAOYSA-N
rxn:4:183968:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc(F)cc(OCC2CCN(C(=O)OC(C)(C)C)C2)c1,WFUBWANRWWJYSL-UHFFFAOYSA-N
rxn:4:183969:226447,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCOCC4)c3)c(OC)c2)CC1,YECAAQHLONYUCE-UHFFFAOYSA-N
rxn:4:184013:223683,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,UAWXNQBBOZJDPX-UHFFFAOYSA-N
rxn:4:184014:223507,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,JQJLLTZNXYHDFI-UHFFFAOYSA-N
rxn:4:184022:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(Cl)cc3OCC3CCN(C(=O)OC(C)(C)C)CC3)cc21,AFQZAXVCKJMVMA-UHFFFAOYSA-N
rxn:4:184030:223521,CC(c1cccc(-c2c(F)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,CWOVIQNDOVQUMD-UHFFFAOYSA-N
rxn:4:184056:223788,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,ZCWKGOZYAJLVFG-UHFFFAOYSA-N
rxn:4:184090:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2)CC1,JHYBLMFWYCIOBQ-CPMJXGNESA-N
rxn:4:184092:222584,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)o2)C2CCS(=O)(=O)C2)cc1,JMWKTJZOFAQGRU-UHFFFAOYSA-N
rxn:4:184092:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CN(C(=O)c4ccc(C(C)(C)C)cc4)C4CCS(=O)(=O)C4)o3)cc21,NSQVOIIYZSJAHD-UHFFFAOYSA-N
rxn:4:184095:226645,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccnc(N3CCOCC3)c2)cc1,NJSJGSLQEIKFBC-HSZRJFAPSA-N
rxn:4:184187:223932,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccc2S1(=O)=O,YWBWEVKGTMVTDY-UHFFFAOYSA-N
rxn:4:184187:226502,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccn(C(=O)OC(C)(C)C)c3)ccc2S1(=O)=O,QLBJMJZVIBPPIB-UHFFFAOYSA-N
rxn:4:184561:223573,CCOC(=O)c1cc(C#N)c(OC)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,MFBORABGLLEGTH-UHFFFAOYSA-N
rxn:4:184647:222542,CCOC(=O)Cc1c(C)cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1C#N,LXKJUFWUQJQRRC-UHFFFAOYSA-N
rxn:4:184763:224355,COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1C(=O)OC(C)(C)C,KALIAIWCAXEDGQ-UHFFFAOYSA-N
rxn:4:184836:222546,CCN(CC)c1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(C(=O)OC)cc1F,UFQWJIHVQSSSEA-UHFFFAOYSA-N
rxn:4:184864:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(C(=O)OC)N(C)C)c3)cc2)CC1,CYGHKVPGHQDTDC-DDLDZWDOSA-N
rxn:4:184918:224182,Cc1cc(-c2ccccc2OCCCN2CCC(F)(F)C2)ccc1OCCN1CCOCC1,UDLKMYLKXGDTJJ-UHFFFAOYSA-N
rxn:4:185025:224290,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)C1,NOWSBGWBVRXVFX-UHFFFAOYSA-N
rxn:4:185027:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(SC4CN(C(=O)OC(C)(C)C)C4)c3)c2Cl)CC1,QWXWIODQTZFISQ-UHFFFAOYSA-N
rxn:4:185045:223058,CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(-c3cc(F)nc(C4CCCNC4)c3)c2)C1,KFHAZJDLPZCJCX-UHFFFAOYSA-N
rxn:4:185045:223652,COc1ccc(Cl)c2cc(-c3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3Cl)n(C(=O)OC(C)(C)C)c12,IMRCWEXIODEEEZ-UHFFFAOYSA-N
rxn:4:185097:225514,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cccc3c2OCC2(CC2)CO3)CC1,PQPISPKOLDCVPX-UHFFFAOYSA-N
rxn:4:185097:225591,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cc(CN3CCCC3)ccc2F)CC1,LCZFRIHDUNLVBI-UHFFFAOYSA-N
rxn:4:185100:225876,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(Cl)ccc1N1CCOCC1,KMKKFNMBIWZVFF-UHFFFAOYSA-N
rxn:4:185108:222986,Cc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc(C2CCCNC2)n1,DNSQRKYBVZHJKQ-UHFFFAOYSA-N
rxn:4:185130:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc(CC4CN(C(=O)OC(C)(C)C)C4)c3)ccc2F)CC1,KLKVFBWACXJVQU-UHFFFAOYSA-N
rxn:4:185138:223901,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)ccc2F)CC1,HJPBMTNECAAHCQ-UHFFFAOYSA-N
rxn:4:185139:222396,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)c2)CC1,QNWZZDINHHQASK-UHFFFAOYSA-N
rxn:4:185139:222684,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)CC1,RUNSTAAIUFYENJ-UHFFFAOYSA-N
rxn:4:185139:223786,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)CC1,JKJRAXHICZSHTA-UHFFFAOYSA-N
rxn:4:185149:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,RVQMXEALJPFMML-UHFFFAOYSA-N
rxn:4:185159:223901,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c1,VQYDYAYEWGNOFD-UHFFFAOYSA-N
rxn:4:185162:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3C3CN(C(=O)OC(C)(C)C)C3)cc2F)CC1,VWYFYBAFISZVEK-UHFFFAOYSA-N
rxn:4:185165:223492,Cc1cc(-c2ccc(C(F)(F)F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BQXUATXYHNHCMW-UHFFFAOYSA-N
rxn:4:185191:223810,Cc1cc(-c2cccc(F)c2OCCCN2CCCCC2C)cc(C)c1S(=O)(=O)N1CCC(C)CC1,DGDMWOATXQXTLG-UHFFFAOYSA-N
rxn:4:185197:223932,Cc1ccc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)cc1OC1CN(C(=O)OC(C)(C)C)C1,XEXQCKYPUPFTMU-UHFFFAOYSA-N
rxn:4:185201:226716,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccn(C(=O)OC(C)(C)C)n1,CCTVMLPFEYARCI-UHFFFAOYSA-N
rxn:4:185202:224486,COc1cc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,FIPGXUULIAFJCI-UHFFFAOYSA-N
rxn:4:185202:224719,COc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1C1CN(C(=O)OC(C)(C)C)C1,CIVGQIIGTNLFID-UHFFFAOYSA-N
rxn:4:185208:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)C1,GYLSNULMCSDBOA-UHFFFAOYSA-N
rxn:4:185260:223788,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2)C1,IDYQYSIQUXOPAZ-UHFFFAOYSA-N
rxn:4:185260:225829,CC1CCN(c2ncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,NFVXOGNOXNSHNW-UHFFFAOYSA-N
rxn:4:185307:223134,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cnccc1C1CCCNC1,KPNVCROQGXOHDO-UHFFFAOYSA-N
rxn:4:185313:223480,Cc1cc(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QZLYJNBTMUACIT-UHFFFAOYSA-N
rxn:4:185313:226655,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cc(Cl)cnc2N2CCCC2)CC1,SRMVKHBLLQCRHS-UHFFFAOYSA-N
rxn:4:185322:225829,CC1CCN(c2ncc(-c3ccc(Cl)c(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,LWBBTEDBHOWCNV-UHFFFAOYSA-N
rxn:4:185324:227549,COC(=O)c1cc(Cl)ccc1-c1cc(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,OCUSJVWPTHBKOU-UHFFFAOYSA-N
rxn:4:185354:223594,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LSIMFQAIQDGWEO-UHFFFAOYSA-N
rxn:4:185371:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,YUTBVNLEEBHHMY-UHFFFAOYSA-N
rxn:4:185383:226729,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(OC4CCOC4)nc3)cc(C(F)(F)F)c2)CC1,LPOGQQQCXXWDPE-UHFFFAOYSA-N
rxn:4:185387:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,AYENAVAAFNEFNV-UHFFFAOYSA-N
rxn:4:185387:225338,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(F)c(COCC(F)(F)F)c3)cc2C(F)(F)F)CC1,RZNGTSQROGOFCL-UHFFFAOYSA-N
rxn:4:185408:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc21,OWEUPCSTLUDEPJ-UHFFFAOYSA-N
rxn:4:185409:224290,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc(C3CC3)c2)C1,RCYPVNMJDDTTDG-UHFFFAOYSA-N
rxn:4:185410:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)cc3C3CC3)cc2Cl)CC1,PFRWGGQMOOVCEH-UHFFFAOYSA-N
rxn:4:185422:224076,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2C2CC2)C1,LNIMFNBFWUAPLI-UHFFFAOYSA-N
rxn:4:185430:222412,CNC(=O)Nc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc(C(F)(F)F)c2)cc1,ROUCFPUARREWQQ-UHFFFAOYSA-N
rxn:4:185430:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)cc(C(F)(F)F)c1,JBZRFJNAKIPDED-UHFFFAOYSA-N
rxn:4:185438:225881,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCOCC4)nc3F)cc2)CC1,YYRUYLRXDAXSLP-UHFFFAOYSA-N
rxn:4:185441:224279,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc2)CC1,XQZQPYKHRIGOHY-UHFFFAOYSA-N
rxn:4:185480:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3OCCCN3C(=O)c4ccccc4C3=O)cc2)CC1,PSBHAXAQSVIZTO-UHFFFAOYSA-N
rxn:4:185545:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2c1,JDDRCSYWXQMBCQ-UHFFFAOYSA-N
rxn:4:185913:224251,COC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2F)c(C(F)(F)F)c1C#N,XUMIZYCXMNJRLO-UHFFFAOYSA-N
rxn:4:186121:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(OC)c1[N+](=O)[O-],OLVOUSHDSSRVQX-UHFFFAOYSA-N
rxn:4:186327:223636,CCOC(=O)c1cnc(C2CC2)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,AHYPJJGBKJLGTK-UHFFFAOYSA-N
rxn:4:186327:223650,CCOC(=O)c1cnc(C2CC2)cc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,XNIKSHIVZSDARD-UHFFFAOYSA-N
rxn:4:186660:225167,COc1cccc(-c2cc(F)cc(C(=O)N3CCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,HFOPCRNQDWRKDV-UHFFFAOYSA-N
rxn:4:186662:224686,COc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,WFVWQLSVHORGQB-UHFFFAOYSA-N
rxn:4:186888:224817,CCN(C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)o1)C1CCS(=O)(=O)C1,BZUQSZHELAVBLI-UHFFFAOYSA-N
rxn:4:186991:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCOCC4)c3)cc2)CC1,YSXBEJJBLLBTRN-UHFFFAOYSA-N
rxn:4:186991:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(S(=O)(=O)CC(=O)N2CCOCC2)c1,PVNGLFNSTNQQPQ-UHFFFAOYSA-N
rxn:4:186991:225325,CCOC(=O)c1cc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1,NWRSLHBCUMYVBP-UHFFFAOYSA-N
rxn:4:186995:223480,COc1ccc(N(C)C(=O)c2cccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)cc1,FXXRMRVYCZWSDJ-UHFFFAOYSA-N
rxn:4:187011:224819,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2F)C1=O,OGXSWHMABODNLU-NRFANRHFSA-N
rxn:4:187059:223834,Cc1cc(-c2cc(Cl)cc(F)c2OCCN2CCCCC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,KOBSMMZBTFMOQR-UHFFFAOYSA-N
rxn:4:187108:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)ccc1OCCN1CCOCC1,YCLMHUHYPBBFPT-UHFFFAOYSA-N
rxn:4:187128:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCCCC4)c3)cc2)CC1,UMDZKGNQTDLYNB-UHFFFAOYSA-N
rxn:4:187189:224720,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2)C1,OSYUFUPULZNZTA-UHFFFAOYSA-N
rxn:4:187190:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cnc2C1,DEONUHURNCMNGA-UHFFFAOYSA-N
rxn:4:187204:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)ccc2Cl)CC1,JFOBCUANMBIXRG-UHFFFAOYSA-N
rxn:4:187207:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(Cl)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,FYSOXEJZZCIUHS-UHFFFAOYSA-N
rxn:4:187213:223578,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2F)C1,LBKYRKMFXMZGSF-UHFFFAOYSA-N
rxn:4:187213:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2)C1,SGRBCKGQTSBZRW-UHFFFAOYSA-N
rxn:4:187293:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)ccc3OCC)c(F)c2)CC1,ZJAMWTJAIAGETG-HCGLCNNCSA-N
rxn:4:187305:224590,COC1CCN(CCc2ccc(F)c(-c3ccc(CN4CCC(C)CC4)cc3F)c2)CC1,OHKBOIDZEIFXBK-UHFFFAOYSA-N
rxn:4:187327:224375,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c2)COS1(=O)=O,TYHZWRQXEBINHA-LJQANCHMSA-N
rxn:4:187327:224754,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccccc3S(=O)(=O)N3CCCCC3)c2)COS1(=O)=O,QHJBAXQXESHIMA-OAQYLSRUSA-N
rxn:4:187354:223671,CCN(C)Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,SGKBMDGRVRDHIZ-UHFFFAOYSA-N
rxn:4:187365:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCN(C)CC4)cc3OCC)c(F)c2)CC1,NEJPRYUDXZHGII-HZCBDIJESA-N
rxn:4:187405:224252,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,DDAOWTVWYOKEMW-UHFFFAOYSA-N
rxn:4:187406:224065,Cc1cc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)ccc1OCC(=O)N1CCC(C)CC1,VUMISYXMKFWCGQ-UHFFFAOYSA-N
rxn:4:187406:225145,Cc1cc(-c2ccc(N3CCOCC3)c(C#N)c2)ccc1OCC(=O)N1CCC(C)CC1,NRWGVHHYNHVDMS-UHFFFAOYSA-N
rxn:4:187413:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc21,OXYDFYWZTMUJJH-UHFFFAOYSA-N
rxn:4:187419:222810,Cc1cc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)ccc1C1CN(C(=O)OC(C)(C)C)C1,NGLKXVRNYOJFLU-UHFFFAOYSA-N
rxn:4:187439:224276,CC(C)(C)OC(=O)N1CCCC(c2coc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2)C1,MIYLYDOBASQVRF-UHFFFAOYSA-N
rxn:4:187441:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)o1,CIFKITQWUJTZEF-UHFFFAOYSA-N
rxn:4:187481:225593,COc1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1S(=N)(=O)CC1(C)CCOCC1,PGVVHXIQPBHOQY-UHFFFAOYSA-N
rxn:4:187483:223840,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c(OC)c1,NCKFOPOJCWUXOH-UHFFFAOYSA-N
rxn:4:187484:225269,CCOc1ccc(-c2ccc(C(=O)OC)cc2C(=O)OC)cc1S(=O)(=O)N1CCCCC1C,PJDKCOOYSXWEFN-UHFFFAOYSA-N
rxn:4:187489:223997,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,PNQMOTNJPYFROP-UHFFFAOYSA-N
rxn:4:187489:225641,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccnc(N2CCCC(C)C2)c1,AYIFUMWIBHLAKX-UHFFFAOYSA-N
rxn:4:187492:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)C1,QOVVVPRLAZBXPO-UHFFFAOYSA-N
rxn:4:187498:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc(OC)c1C(=O)N1CCC(C)CC1,NVFWQFSIHQDPDS-UHFFFAOYSA-N
rxn:4:187503:226123,COCc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1C1CC1,APZGBMCURWNKDF-UHFFFAOYSA-N
rxn:4:187503:226126,COCc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1C1CC1,IVGRVBNETJWJKI-UHFFFAOYSA-N
rxn:4:187504:226123,COCc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1C1CC1,FNKJUBHZFUMANU-UHFFFAOYSA-N
rxn:4:187504:226126,COCc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1C1CC1,MNQPJRYJHOVQBP-UHFFFAOYSA-N
rxn:4:187505:225499,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2Cl)C1,CNBXPLDEXWRUPE-UHFFFAOYSA-N
rxn:4:187542:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(OC)c1CN1CCC(C)CC1,QGVXUUJLNWPBKI-UHFFFAOYSA-N
rxn:4:187558:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2=O)cc1,FISXJQFDKWALTN-UHFFFAOYSA-N
rxn:4:187573:223498,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,YHRFANWZNJXPHS-UHFFFAOYSA-N
rxn:4:187578:223588,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,HSITUFDZWOKURP-UHFFFAOYSA-N
rxn:4:187578:224268,Cc1cc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,KPVWYCFUMDYZTO-UHFFFAOYSA-N
rxn:4:187578:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(C)c3)cn2)CC1,DMKLNIDROAEHNR-UHFFFAOYSA-N
rxn:4:187586:224269,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2Cl)C1,UIDNOUNMIWVUSW-UHFFFAOYSA-N
rxn:4:187589:224290,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)C1,YWLWTKYVANNGHB-UHFFFAOYSA-N
rxn:4:187589:226511,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3cc(Cl)cnc3OCC3CC3)c2)C1,YQYAIVLKEZJVTB-UHFFFAOYSA-N
rxn:4:187592:223507,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,MMHRQTUTEPOHJA-UHFFFAOYSA-N
rxn:4:187594:223773,COc1cccc2cc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,BKMGCOJXZKWNNN-UHFFFAOYSA-N
rxn:4:187595:225895,COCCOc1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1F,MIJATAHPSSCGAJ-UHFFFAOYSA-N
rxn:4:187601:222447,COc1ccc2c(c1-c1cccc(C(=O)c3cccc(CN4CCCCC4)c3)c1)N=C(NC(=O)OC(C)(C)C)C2,QJZXCLUXADRKOZ-UHFFFAOYSA-N
rxn:4:187622:225264,COC(=O)c1ccc(-c2cc(CN3CCC(C)CC3)ccc2OC(C)C)cc1C(=O)OC,BDRJPJWWOMUQKQ-UHFFFAOYSA-N
rxn:4:187659:223774,COc1cccc2c1cc(-c1ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,LRZCSTXMPKOXND-UHFFFAOYSA-N
rxn:4:187662:223939,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,CCBWFIDUXLIFAH-UHFFFAOYSA-N
rxn:4:187670:222596,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1,GIBADHWELDUJRB-UHFFFAOYSA-N
rxn:4:187779:223809,COCCCN1CCOc2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc21,BELUBEFKKWZKQF-UHFFFAOYSA-N
rxn:4:187863:224022,COC1c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2CN1C(=O)OC(C)(C)C,ZJJYGMZMFHYCPN-UHFFFAOYSA-N
rxn:4:187944:222855,COc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc(C2CCCNC2)c1,ZEAMLQYKHJHQAU-UHFFFAOYSA-N
rxn:4:187944:222857,COc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc(C2CCNCC2)c1,FRKHBGJKIRTLEA-UHFFFAOYSA-N
rxn:4:187944:224656,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(F)c1OC1CCCC1,OFPLOSKMPSWWHT-UHFFFAOYSA-N
rxn:4:187944:225003,COc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,DBJIKXHQBSOXAR-UHFFFAOYSA-N
rxn:4:187944:225043,Fc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1OC1CCCCC1,JNAFMQDUNYXATN-UHFFFAOYSA-N
rxn:4:187944:225165,COc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1N1CCOCC1,RRPFWNQLBREMQY-UHFFFAOYSA-N
rxn:4:187944:225190,COc1cc(N2CCOCC2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,SDIFGAOTEFTOJO-UHFFFAOYSA-N
rxn:4:187944:225611,COc1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,RABZXPGTKXGBHO-UHFFFAOYSA-N
rxn:4:187944:226097,c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1COCC1CC1,LMYNZLJOEODKMT-UHFFFAOYSA-N
rxn:4:187944:226122,COCc1ccc(C2CC2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,VTEJJYFUNCWPNI-UHFFFAOYSA-N
rxn:4:187944:226123,COCc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1C1CC1,XFVXDGJXDNIYOP-UHFFFAOYSA-N
rxn:4:187944:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,DDYDCWIMBKZZAU-UHFFFAOYSA-N
rxn:4:187944:226126,COCc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1C1CC1,LTHYDGJNJPXVLH-UHFFFAOYSA-N
rxn:4:187944:226490,COCCOc1ccc(F)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,NUOWPRJMAOPUCS-UHFFFAOYSA-N
rxn:4:187944:226491,COCCOc1cc(Cl)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,RWQRFGQBOIFYRJ-UHFFFAOYSA-N
rxn:4:187944:226492,COCCOc1ccc(Cl)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,IIBSZRLGJQJJIE-UHFFFAOYSA-N
rxn:4:188333:223506,CCOC(=O)c1nc(C)c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)s1,HJPRZZHFJYEOLD-UHFFFAOYSA-N
rxn:4:188605:223696,CCOc1c(F)ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1[N+](=O)[O-],DVQNLCOTAXCYSD-UHFFFAOYSA-N
rxn:4:188932:223697,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1,GKIDUHYOIRIYNH-UHFFFAOYSA-N
rxn:4:188989:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(C)nc1OC,BKHGRABPIIEYSU-UHFFFAOYSA-N
rxn:4:189601:224330,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RCVNBKLHLSFUTF-UHFFFAOYSA-N
rxn:4:189700:224819,CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C1CCS(=O)(=O)C1,DAEDZDBQGQKFOQ-UHFFFAOYSA-N
rxn:4:189702:224329,CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)o2)C1,RMTARUPXDPIARW-UHFFFAOYSA-N
rxn:4:189765:223562,CN(C(=O)c1c(F)cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1F)c1ccccc1F,PJVXYYCZESKRJB-UHFFFAOYSA-N
rxn:4:189849:224685,CC(C(=O)c1ccc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1)N1C(=O)CCC1=O,GQAPYXJJCDVNFI-UHFFFAOYSA-N
rxn:4:189866:222719,O=S(=O)(c1cc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc(C(F)(F)F)c1)N1CCCC1,YTKZUVZALLYNLO-UHFFFAOYSA-N
rxn:4:189943:223997,Cc1cc(-c2ccccc2CS(=O)(=O)N2CCOCC2)cc(C)c1S(=O)(=O)N1CCOCC1,HTYQAODRMNHYGT-UHFFFAOYSA-N
rxn:4:190123:223952,CN1CCN(CCOc2ccc(-c3ccc(C4(C(=O)N5CCCC5)CC4)cc3)cc2Cl)CC1,OLGIPVYJXKIPJG-UHFFFAOYSA-N
rxn:4:190123:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C4(C(=O)N5CCCC5)CC4)cc3)c(F)c2)C1,FOHTUMWKBSWAAN-UHFFFAOYSA-N
rxn:4:190213:224820,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,YSEGNIYZBSSCFG-UHFFFAOYSA-N
rxn:4:190216:224405,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCC1,MTKIKJKDOGCHIN-UHFFFAOYSA-N
rxn:4:190261:224198,CCN1CCN(Cc2ccc(-c3ccc(OC4CCN(C)CC4)cc3OC)c(F)c2)CC1,XLVUDMCUNFDPGR-UHFFFAOYSA-N
rxn:4:190264:223785,CCN1CCN(CCOc2ccc(-c3cc(CC(=O)N4CCC(C)CC4)ccc3Cl)cc2Cl)CC1,YIASZQJQRCGUOI-UHFFFAOYSA-N
rxn:4:190360:222389,COCc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1N1CCCCC1C,ZNQCDUUDZJZSIX-UHFFFAOYSA-N
rxn:4:190360:222630,COCc1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)ccc1N1CCCCC1C,AJYPAHMHSLIFFZ-UHFFFAOYSA-N
rxn:4:190364:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(CN4CCC(C)CC4)ccc3OC)c2)CC1,QRNBBXYBBILAJJ-UHFFFAOYSA-N
rxn:4:191037:222849,Cc1cc2c(c(-c3ccc(C4CCNCC4)c(C#N)c3)c1)CN(C(=O)OC(C)(C)C)CC2,RFVKESWFJHQTQP-UHFFFAOYSA-N
rxn:4:191037:222850,Cc1cc2c(c(-c3cc(C4CCNCC4)ccc3C#N)c1)CN(C(=O)OC(C)(C)C)CC2,UEQAWLBGMGEQNH-UHFFFAOYSA-N
rxn:4:191037:222886,Cc1cc2c(c(-c3ccc(N4CCNCC4)cc3C#N)c1)CN(C(=O)OC(C)(C)C)CC2,LPGUGHGEJJJGKI-UHFFFAOYSA-N
rxn:4:191063:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)OC1(CC2=O)CN(C(=O)OC(C)(C)C)C1,SLJBSYPZMITKND-UHFFFAOYSA-N
rxn:4:191069:225716,COCCOCc1cc(F)ccc1-c1cc(F)c2c(c1)N(CCC1CCCCC1)CCO2,VTIKXCFBGYYXPX-UHFFFAOYSA-N
rxn:4:191099:228415,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(F)ccc3C(F)F)cc1C2=O,POBHIDUDRHEHCD-UHFFFAOYSA-N
rxn:4:191116:222432,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)ccc12,MIVTTWNOIRLAAY-UHFFFAOYSA-N
rxn:4:191121:228356,CC(C)c1nc(Cl)ncc1-c1ccc2c(c1F)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,SNNGTWSHCYUBED-UHFFFAOYSA-N
rxn:4:191127:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,DNJIHEKOFAOJNE-UHFFFAOYSA-N
rxn:4:191129:223934,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5ccc(F)cc5n4C(=O)OC(C)(C)C)ccc3O2)CC1,SVSNMKWVLURDFG-UHFFFAOYSA-N
rxn:4:191147:223597,COCCn1c2c(c3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)ccc31)CCCC2,DOSUPYZAUAJCQW-UHFFFAOYSA-N
rxn:4:191147:223598,COCCn1c2c(c3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)ccc31)CCCC2,BTABEKLJTMGDRO-UHFFFAOYSA-N
rxn:4:192537:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccnc3OC3CCSC3)c2)CC1,SWDFHYXVZXEPFN-UHFFFAOYSA-N
rxn:4:192709:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(CN4CCC4)ccc3Cl)ccc2F)CC1,OALHHYJUDSDRNE-UHFFFAOYSA-N
rxn:4:192773:223499,CSC1=NC(=Cc2cccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C(=O)S1,MUPQBCUZGXTYBY-UHFFFAOYSA-N
rxn:4:192775:223846,CCN1C(=O)C(=Cc2ccc(-c3cc(C)cc(C4CC5CCC4(C)C5(C)C)c3)o2)SC1=S,ODXOQCVEGBLGHL-UHFFFAOYSA-N
rxn:4:193122:223588,Cc1cc(-c2cc(C(=O)N3CCCC3)cc(F)c2F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GYTXLQGMVJSTSF-UHFFFAOYSA-N
rxn:4:193292:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1,ZDAJNYUCORMUCD-UAPYVXQJSA-N
rxn:4:193355:222466,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1)N1CCSCC1,ORYWSCQGCWYWAR-UHFFFAOYSA-N
rxn:4:193369:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cc(C(F)F)ccc3N3CCOCC3)c2C1,OQFUSWBSIHPWNN-UHFFFAOYSA-N
rxn:4:193386:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,UWNGLRXECPRTEM-UHFFFAOYSA-N
rxn:4:193391:224080,FC(F)(F)c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1N1CCOCC1,TZWFWCHQGBSLRS-UHFFFAOYSA-N
rxn:4:193562:222465,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,DZNANWCDSCBURP-UHFFFAOYSA-N
rxn:4:193626:224329,CC(C)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cc2)SC1=S,UELDSUFZHHAYIJ-UHFFFAOYSA-N
rxn:4:193632:222631,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)cc2)cc(C2CCNCC2)n1,KXACRYFOIBUMJP-UHFFFAOYSA-N
rxn:4:193664:223577,Cc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(CN2CCOCC2)c1,JFFBEGPOZRABRO-UHFFFAOYSA-N
rxn:4:193664:223637,Cc1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)c(CN2CCOCC2)c1,WBIBTJDTZIYZOY-UHFFFAOYSA-N
rxn:4:193691:224404,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)o1)N1CCC(=C2CC2)CC1,LKOFOEIVLVLHJY-UHFFFAOYSA-N
rxn:4:193828:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,CLEIEMMQZAJJEF-UHFFFAOYSA-N
rxn:4:193836:222465,CC1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,CTOZAPPXHXCTJH-UHFFFAOYSA-N
rxn:4:193836:224327,CC1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)c2)CC1,YTFDNCNAUYKHJW-UHFFFAOYSA-N
rxn:4:193842:222722,CC1CCCCN1S(=O)(=O)c1cccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1,OHXUKOKFXGZUQV-UHFFFAOYSA-N
rxn:4:193844:224319,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc(S(=O)(=O)N2CCCCC2)c1,DUKLRQCGKOYPGD-UHFFFAOYSA-N
rxn:4:193869:224830,Cc1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)c(S(=O)(=O)N2CCCCC2)cc1Cl,RVIYSEJPAOWXQI-UHFFFAOYSA-N
rxn:4:193870:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C,SHVWJRZQPKUXGU-UHFFFAOYSA-N
rxn:4:193874:224691,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cc2F)CC1,NMYMTLJELXLYCQ-UHFFFAOYSA-N
rxn:4:193918:224248,Cc1ccc(C(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1,HYZWRGUIWINAPN-UHFFFAOYSA-N
rxn:4:193973:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,FZVCVEGISZOXGX-UHFFFAOYSA-N
rxn:4:193973:225899,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n(C(=O)OC(C)(C)C)n1,VXMAQBOOCIFXED-UHFFFAOYSA-N
rxn:4:193974:222612,O=S(=O)(c1ccc(F)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1)N1CCC(O)CC1,RVBNGHNKWSETCN-UHFFFAOYSA-N
rxn:4:193975:226043,COc1c(F)cc(Cl)c(-c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCS3)c1[N+](=O)[O-],XKIROJONLXGUAD-UHFFFAOYSA-N
rxn:4:193999:222465,Cc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,IBZVRMQWHAXKAX-UHFFFAOYSA-N
rxn:4:193999:223481,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(S(=O)(=O)N2CCC(C)CC2)cc1C,OGSGCOLETNNQPB-UHFFFAOYSA-N
rxn:4:194113:223490,COC(=O)c1c[nH]c2cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc12,HRALYTAYEKYAIW-UHFFFAOYSA-N
rxn:4:194275:224360,COC(=O)c1ccc(-c2cc3c(cc2C=C[N+](=O)[O-])OCCO3)n1C(=O)OC(C)(C)C,BFAQCWOXULMYJB-UHFFFAOYSA-N
rxn:4:194647:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(CC2CCCC2)C(=O)CO3)cc1,WIQOQYFCRLXIBI-GOSISDBHSA-N
rxn:4:194677:224396,Cc1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCCC4)cc3c2)ccc1S(=O)(=O)N1CCOCC1,VDAAHLHVOJGLKD-UHFFFAOYSA-N
rxn:4:194709:224772,O=C(c1ccc(-c2ccc3c(c2)N(CC2CCCCC2)C(=O)CO3)c(Cl)c1)N1CCOCC1,PRTKSTJBRZPOMJ-UHFFFAOYSA-N
rxn:4:194712:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)CC1,FLLHAMMNXUOYIW-UHFFFAOYSA-N
rxn:4:194729:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)CN(CC3CCOCC3)CC4)cc2)CC1,KPVJZCGJTUQFQK-UHFFFAOYSA-N
rxn:4:194749:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)cc2)CC1,ABGBHBKLBFCMAZ-UHFFFAOYSA-N
rxn:4:194768:224482,COC1CCN(C2CCCc3cc(-c4cccc(OCCCN5CCCC5)c4)ccc32)CC1,SCEYVPIANSGNOD-UHFFFAOYSA-N
rxn:4:194821:223520,CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,VLKZPWOUCMKYTQ-UHFFFAOYSA-N
rxn:4:195116:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CC1,OPNJJDIZXTVBHH-UHFFFAOYSA-N
rxn:4:196933:223521,CC(c1cccc(-c2cc(F)cc(N3CCC(=O)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,MIWAYHPBZRSSPK-UHFFFAOYSA-N
rxn:4:196978:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CCCCC4)c(Cl)c3)c2)CC1,LWMGQWCJMHSWEM-UHFFFAOYSA-N
rxn:4:199232:223695,CN1C(=O)Cc2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2C1=O,BUCDDCOYZUTWLA-UHFFFAOYSA-N
rxn:4:199280:223608,CN1C(=O)CCc2c1ccc(-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c1)c2Cl,WYIGYEBPCNRLDL-UHFFFAOYSA-N
rxn:4:199334:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)N(C)CCC3(C)C)cc1,RTLZUHOUNKIDGQ-UHFFFAOYSA-N
rxn:4:199557:222948,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2C#N)C1,FPTAHDBOTRUCKZ-UHFFFAOYSA-N
rxn:4:199557:224290,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2C#N)C1,WCTKCXIHYPNHPX-UHFFFAOYSA-N
rxn:4:199570:222948,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,UNXXHSINWLUSCR-MRXNPFEDSA-N
rxn:4:199570:223520,CC(c1ccc(-c2cncc(OC[C@H]3CCN3C(=O)OC(C)(C)C)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RIMRBPWRMQNSED-ZWAGFTRDSA-N
rxn:4:199570:225877,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2ccc(Cl)cc2N2CCOCC2)c1,XLXVMPCGQJAIKQ-LJQANCHMSA-N
rxn:4:199577:226526,COC(=O)c1ccc(OC)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)c1,GMVCKBXCINYBPT-UHFFFAOYSA-N
rxn:4:199642:224251,CCN1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2Cl)CC1,UNKLGHPLXPCXRA-UHFFFAOYSA-N
rxn:4:199649:223084,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCC(O)CC2)nc1,OUFTYDWIWDQKRK-UHFFFAOYSA-N
rxn:4:199649:226897,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(OCC(F)(F)F)nc1,QWHMUKQQGGXZKN-UHFFFAOYSA-N
rxn:4:199652:226275,Cc1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)ccc2[N+](=O)[O-])cnc1OCC(C)C,OUABQWMZKTUXQY-UHFFFAOYSA-N
rxn:4:199661:222513,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)cn2)C1,ACDMKJNBEOCWEP-UHFFFAOYSA-N
rxn:4:199692:225294,CCN1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cn2)CC1,BBKLMPRBLHDEQK-UHFFFAOYSA-N
rxn:4:199705:224591,CCN1CCN(CCCOc2cc(-c3ccc(Cl)c(CN4CCC(C)CC4)c3)ccc2C)CC1,ULMROVPSCBYYKV-UHFFFAOYSA-N
rxn:4:199707:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(SCC2CCCN(C(=O)OC(C)(C)C)C2)n1,DTKUWRHQUOBYFO-UHFFFAOYSA-N
rxn:4:199709:223503,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n2)CC1,UPGSPCATCXMNSX-UHFFFAOYSA-N
rxn:4:199711:225899,Cc1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)n(C(=O)OC(C)(C)C)n1,OTHAJZURVLBBBB-UHFFFAOYSA-N
rxn:4:199714:224653,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)CC1,BTCLFEIQSRVKEX-UHFFFAOYSA-N
rxn:4:199714:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)nc1,NVEBPJLILCXIQF-UHFFFAOYSA-N
rxn:4:199719:223536,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,WSVFBEUPGFZCSW-UHFFFAOYSA-N
rxn:4:199764:226485,COCCOc1cc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1Cl,NHVRJXBHLUCYNB-UHFFFAOYSA-N
rxn:4:199770:223525,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XCQHKRFUWXGCKG-UHFFFAOYSA-N
rxn:4:199770:225896,COCCOc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2C(=O)OC)c(F)cc1F,HTVCBSDTDKNRIS-UHFFFAOYSA-N
rxn:4:199778:223889,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c2)CC1,QIGQSBRWVYOBSE-UHFFFAOYSA-N
rxn:4:199778:227666,CC(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1F,ADEOKJCVVSGDNE-UHFFFAOYSA-N
rxn:4:199784:223775,COc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(OC)cc23)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QUVYDTAUUDPPOH-UHFFFAOYSA-N
rxn:4:199784:223941,COc1ccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HXVOXXPHSHSSRV-UHFFFAOYSA-N
rxn:4:199787:224997,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-],KQYBVGHDUZMTCL-UHFFFAOYSA-N
rxn:4:199787:226896,COCn1cc(-c2cc([N+](=O)[O-])c(C)cc2OC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,QSXOFPCDIVFBCL-UHFFFAOYSA-N
rxn:4:199790:223532,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,BZITUTIIMXQESL-UHFFFAOYSA-N
rxn:4:199790:223562,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,OIZNPXNDUNFFAY-UHFFFAOYSA-N
rxn:4:199791:223651,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KOCFGPCTKWCJMA-UHFFFAOYSA-N
rxn:4:199809:223823,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LOVOAQGGXAEWBC-UHFFFAOYSA-N
rxn:4:199809:224974,CN1CCN(Cc2ccccc2-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,WIMBIXXGDJTMQI-UHFFFAOYSA-N
rxn:4:199810:224081,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccccc1CCO[Si](C)(C)C(C)(C)C,ODIYAOPBTBZPOO-UHFFFAOYSA-N
rxn:4:199811:228549,CCCc1ccc(-c2ccc(F)cc2CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cn1,RMQZAMHXGYSQBJ-UHFFFAOYSA-N
rxn:4:199812:223648,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCN1C(=O)OC(C)(C)C,MQLSYGBSRLETFG-UHFFFAOYSA-N
rxn:4:199812:224157,CC1CN(C(=O)Cc2ccc(F)cc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CCN1C(=O)OC(C)(C)C,TZTPZHZAFFCSQD-UHFFFAOYSA-N
rxn:4:199812:224806,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N(C)C3CC3)cc2F)CCN1C(=O)OC(C)(C)C,CBLSUXMBGSFDKN-UHFFFAOYSA-N
rxn:4:199818:225879,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(N2CCOCC2)cc1F,UZURPHALLFPXPL-UHFFFAOYSA-N
rxn:4:199827:223491,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1,ISGVJNOZBBQRBP-UHFFFAOYSA-N
rxn:4:199828:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(Cl)c1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1,NTJASOPLJQQOCY-UHFFFAOYSA-N
rxn:4:199829:223574,CC1CN(CCc2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CCN1C(=O)OC(C)(C)C,UIOCRJFUTGQGPD-UHFFFAOYSA-N
rxn:4:199830:223934,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)ccc1Cl,NDFXESWBRCLKLS-UHFFFAOYSA-N
rxn:4:199831:225569,COC(=O)c1cc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)ccc1C1CC1,QVLJQKMIPDHDEU-LJQANCHMSA-N
rxn:4:199839:224062,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cccc(OCc2cc(C)ccc2C)c1,CKSBHDLDAGKSAC-XMMPIXPASA-N
rxn:4:199842:223134,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1cnccc1C1CCCNC1,XLSWKLBOUVMBSB-UHFFFAOYSA-N
rxn:4:199846:226739,CCOc1ccc(-c2ccc(C(C)=O)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,SQMYCIVSSAUHMR-UHFFFAOYSA-N
rxn:4:199860:224391,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,KYNKTDDGFWVOSH-UHFFFAOYSA-N
rxn:4:199863:225825,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(N2CCN(C)CC2)nc1,UNQMHRYHSRSMBF-UHFFFAOYSA-N
rxn:4:199865:223588,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,YKSXRPNCMXEKOR-WJOKGBTCSA-N
rxn:4:199883:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)cc2)CC1,XYNPOVMJFAUEJS-UHFFFAOYSA-N
rxn:4:199910:223533,CCOCCn1c(=NC(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)s2)sc2cc(F)ccc21,ASPPDLHUZQAWGN-UHFFFAOYSA-N
rxn:4:200001:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccccc3CCC(=O)N3C4CCC3CC(Oc3ccncc3)C4)cn2)CC1,PYMAQNKBMCFURA-UHFFFAOYSA-N
rxn:4:200001:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccccc1CCC(=O)N1C2CCC1CC(Oc1ccncc1)C2,QEOMQZIDADZTCX-UHFFFAOYSA-N
rxn:4:200008:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(ccn3CC3CCN(C(=O)OCc4ccccc4)CC3)c2)c(Cl)c1,DHYPQLOUBHQDJD-UHFFFAOYSA-N
rxn:4:200158:222584,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,LLPZEZUMUBKREQ-UHFFFAOYSA-N
rxn:4:200259:223922,CN(C(=O)c1cc(-c2ccc(OCCN3CCCC3)c(C#N)c2)ccc1Cl)C1CCCCC1,RXHWWJGKCXWQNH-UHFFFAOYSA-N
rxn:4:200340:223833,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)CC2)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)c1,APNBNGCGHHUSEN-UHFFFAOYSA-N
rxn:4:200366:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C#N)c(Cl)c1,COUKNEJYEDOOIU-UHFFFAOYSA-N
rxn:4:200370:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cnc2C1,CVZUSGDOBKSCIF-UHFFFAOYSA-N
rxn:4:200371:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc21,DKJAJNWWJZELTE-UHFFFAOYSA-N
rxn:4:200427:222542,COCCN1CCN(C(=O)c2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc2)CC1,YJLGPBZJOKCLRA-UHFFFAOYSA-N
rxn:4:200493:225155,O=C(Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1)N1CC(CN2C(=O)CCC2=O)C1,SQSVREDTMQMASM-UHFFFAOYSA-N
rxn:4:200555:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(CC2CCN(C(=O)OC(C)(C)C)C2)n1,ZGBOTLIZAVKAGF-UHFFFAOYSA-N
rxn:4:200557:224752,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C)cc2)CC1,GKYGWCSTZOCJSK-UHFFFAOYSA-N
rxn:4:200559:223885,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)co2)CC1,BTEMURZCENMJCS-UHFFFAOYSA-N
rxn:4:200559:226715,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)co2)CC1,FMVXZJVICFSUDB-UHFFFAOYSA-N
rxn:4:200567:222950,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)NOC)c3)c(C)c2)CC1,SFISNSQMVNRGNM-UHFFFAOYSA-N
rxn:4:200595:223593,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nc2)CC1,VYWLENYKBNBWCQ-UHFFFAOYSA-N
rxn:4:200602:223884,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,IQYNSGINPQOHDX-UHFFFAOYSA-N
rxn:4:200603:223934,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)CC1,LMEGXVCQCIPFOH-UHFFFAOYSA-N
rxn:4:200603:224157,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)CC1,PBCCHEJNYVKQKM-UHFFFAOYSA-N
rxn:4:200603:225538,CC(C)COc1cccc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,GREADYCSJMFNCM-UHFFFAOYSA-N
rxn:4:200605:222426,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,JPSGRUQJCYYYEQ-UHFFFAOYSA-N
rxn:4:200606:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,NRRIUVDZGNJQRY-RQNOJGIXSA-N
rxn:4:200607:224157,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1,INVGFBIKGZWFDT-UHFFFAOYSA-N
rxn:4:200643:225092,CCCCOc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(Cl)c1OC,JXOQFRKAKKCYFN-UHFFFAOYSA-N
rxn:4:200648:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,PVXQHLUMVXQZSW-UHFFFAOYSA-N
rxn:4:200648:224414,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)c2)CC1,WEQVVBADFVRDQC-UHFFFAOYSA-N
rxn:4:200651:223490,Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JEDKTSGVWGZFLF-UHFFFAOYSA-N
rxn:4:200651:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)CC1,OXVQFTVIMAGAMX-UHFFFAOYSA-N
rxn:4:200656:224161,CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2)CC1,PHNHXVIJMVMQST-UHFFFAOYSA-N
rxn:4:200658:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(F)c2)CC1,UYGIIJZTTQOXJT-UHFFFAOYSA-N
rxn:4:200658:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1,NQAICZIKQSPFEG-UHFFFAOYSA-N
rxn:4:200659:227698,COc1ncc(Cl)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1OC,QGNLXWYVPCYKNC-UHFFFAOYSA-N
rxn:4:200695:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,PPWHGMVUVKRNAG-UHFFFAOYSA-N
rxn:4:200702:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,QVMHFVHOXOOYMP-UHFFFAOYSA-N
rxn:4:200702:227751,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(C(F)(F)F)c(Cl)c3)c2)CC1,SSNMBJNHCOUDNG-UHFFFAOYSA-N
rxn:4:200703:226792,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCOCC4)nc3)ccc2Cl)CC1,BBVIQCDETAZFLH-UHFFFAOYSA-N
rxn:4:200705:223536,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2Cl)CC1,WPBQACXGVOEOEB-UHFFFAOYSA-N
rxn:4:200705:225975,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3Cl)c2Cl)CC1,WHEIFWJGXVXRCP-UHFFFAOYSA-N
rxn:4:200708:224270,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c(F)c2)CC1,SHUVLFYAPGBIIG-UHFFFAOYSA-N
rxn:4:200709:223741,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(CN4CCCc5ccccc54)ccc3F)ccc2F)CC1,BUCYPARIERRVSQ-UHFFFAOYSA-N
rxn:4:200724:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,NVJLKHIRIKONIE-UHFFFAOYSA-N
rxn:4:200724:223938,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc2Cl)CC1,QEYWUCYINYAXMG-UHFFFAOYSA-N
rxn:4:200727:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,NQUAINHINOLEQO-UHFFFAOYSA-N
rxn:4:200727:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(Cl)c1,ZOEUPFGFHRZUQW-UHFFFAOYSA-N
rxn:4:200730:226716,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccn(C(=O)OC(C)(C)C)n3)c2C(F)(F)F)CC1,AUERXAJHMGHLKF-UHFFFAOYSA-N
rxn:4:200732:223889,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc2C(F)(F)F)CC1,ZMKVGZFNGBTGLR-UHFFFAOYSA-N
rxn:4:200744:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cc(C)ccc2OC)C1,OVGMJTGGVURKTN-UHFFFAOYSA-N
rxn:4:200749:226332,O=C(c1ccccc1-c1ccc(S(=O)(=O)ON=C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCC1,ODVKFFRVUYHTOR-UHFFFAOYSA-N
rxn:4:200772:225269,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(COc4ccncc4C)CC3)c(F)c2)c(C(=O)OC)c1,KGXJBDFJBHMMQQ-UHFFFAOYSA-N
rxn:4:200781:223775,COc1ccc2c(c1)c(-c1cc(C)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)cn2C(=O)OC(C)(C)C,DOLKXUMFEMRYQA-UHFFFAOYSA-N
rxn:4:200783:223218,Cc1cc(-c2ccc3c(c2C)NCCO3)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,DVXXKTNPWUJKMY-UHFFFAOYSA-N
rxn:4:200783:224271,Cc1cc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,SBMHDKIWWYWRRF-UHFFFAOYSA-N
rxn:4:200791:223880,Cc1ccc2c(c1)cc(-c1cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc1F)n2C(=O)OC(C)(C)C,WJBSJLZEHSMNCC-FQEVSTJZSA-N
rxn:4:200799:227680,O=C(CCc1ccccc1-c1cccc2c1OC(F)(F)O2)N1CCC(N2C(=O)COCC2=O)CC1,NBIIJSCKQVSCDK-UHFFFAOYSA-N
rxn:4:200815:225517,CC(c1cccc(-c2cccc(OCCCN(C)C)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HFOZFGVUPQVMFI-UHFFFAOYSA-N
rxn:4:200817:222412,CNC(=O)Nc1ccc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LFEVJKPTNVJWKK-UHFFFAOYSA-N
rxn:4:200818:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl,ZZYDXLUSUOQMPD-KRWDZBQOSA-N
rxn:4:200822:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)c1,RQFYXIWYVWAHQR-UHFFFAOYSA-N
rxn:4:200822:226870,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc(F)c(OC(F)(F)F)c3)c2)CC1,MLKNMBDPLDYFCF-UHFFFAOYSA-N
rxn:4:200826:222987,Cc1cc(-c2ccc(C3CCNCC3)nc2C)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NQHIOENZHVRKHO-UHFFFAOYSA-N
rxn:4:200831:225450,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C(=O)C4CCCC4)cc3)CC2)cc1C,QLZWUHFGUUOSJK-UHFFFAOYSA-N
rxn:4:200832:222718,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(S(=O)(=O)N2CCNCC2)ccc1C,UIJGNRVSBFWXGF-UHFFFAOYSA-N
rxn:4:200839:226538,CCOC(=O)c1cc(Cl)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1OC,AAHDEMSUQQHZEO-UHFFFAOYSA-N
rxn:4:200882:223883,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c1)C2,GNWRQWIVOJIOJR-UHFFFAOYSA-N
rxn:4:200882:227062,CCOc1ccc(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)c(C)c1C,YJJBTOLZWZHSJN-UHFFFAOYSA-N
rxn:4:200883:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2F)CC1,JUOGALMCUKPTRA-UHFFFAOYSA-N
rxn:4:200884:223937,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc1)C2,QKGARQQFIHYINC-UHFFFAOYSA-N
rxn:4:200884:224290,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc1)C2,NBDPVXCVLWHRDL-UHFFFAOYSA-N
rxn:4:200891:224612,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(OCCN4CCOCC4)cc3)cc2C)CC1,MXZOXQLMYPXSLC-UHFFFAOYSA-N
rxn:4:201082:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(-n4c(SCC=Cc5ccccc5)nc5ccccc5c4=O)cc3)c2)CC1,TVLNGHJMXJIKOZ-UHFFFAOYSA-N
rxn:4:201109:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)C3)C(=O)CO4)c2)CC1,CDCXBMVLRQSXRA-UHFFFAOYSA-N
rxn:4:201134:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)cc2Cl)CC1,BTLSUIUPHHMUGQ-UHFFFAOYSA-N
rxn:4:201144:226607,CC(C)Oc1cc(Cl)cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)c1F,IFFSSFYAVXNOLW-UHFFFAOYSA-N
rxn:4:201379:227103,CC(=O)n1nc(C)c(-c2sccc2C2CCCCC2)c1C(F)(F)C(F)(F)C(F)(F)F,IYBURUDAWNPJEV-UHFFFAOYSA-N
rxn:4:201645:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)CC1,IXYMYJZWEIKZJA-UHFFFAOYSA-N
rxn:4:201660:224355,N#CCC(=O)C1CCCN(c2cccc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)c2)C1=O,ORMQPEYHRRADKM-UHFFFAOYSA-N
rxn:4:201677:224015,Cc1cc(F)c(-c2cccc(N3CCCC(C(=O)CC#N)C3=O)c2F)cc1S(=O)(=O)N1CCOCC1,ZRCOJLOIYIISAC-UHFFFAOYSA-N
rxn:4:201686:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cncc(C(=O)N(C(C)C)C(C)C)c3)c2)CC1,FFFDTFXOINZWBV-UHFFFAOYSA-N
rxn:4:201694:224128,CCOC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1,MZVVDQYCWFSLCG-UHFFFAOYSA-N
rxn:4:201704:226411,O=C(c1ccc(-c2ccc(N3CCOCC3)cc2)o1)N1CC(CN2C(=O)CCC2=O)C1,ZTAHQBXHQWGKRN-UHFFFAOYSA-N
rxn:4:201773:224653,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)n2)C1,OIRMKHHQZIABPR-UHFFFAOYSA-N
rxn:4:201774:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cs1,JCZAIVQIDMWCJU-YSYXNDDBSA-N
rxn:4:201783:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cncc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,VIJJVQJJMCTHDJ-UHFFFAOYSA-N
rxn:4:201783:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,FICZJNSEYAOMFE-UHFFFAOYSA-N
rxn:4:201817:222740,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(C(C)C)nc(C2CCCNC2)c1,AUCCSKQFOZNNOV-UHFFFAOYSA-N
rxn:4:201823:224817,O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1,BWEPXGMSUFGJLV-UHFFFAOYSA-N
rxn:4:201928:224720,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)n2)C1,AJJSYMBENCQZFD-UHFFFAOYSA-N
rxn:4:201932:223492,Cc1cc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FLZGXJNXQBRPBN-UHFFFAOYSA-N
rxn:4:201945:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1,RIAILNYSODBHCK-XMMPIXPASA-N
rxn:4:201947:223562,CC(C)(C)OC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N1CCCC1,WLROCBHKHSIUHW-UHFFFAOYSA-N
rxn:4:201947:224720,CC(C)(C)OC(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cnc1N1CCCC1,ZTWZPTXESRDVOV-UHFFFAOYSA-N
rxn:4:201957:224587,CCN1CCN(C(=O)c2ccc(OC)c(-c3ccc(CN4CCC(C)CC4)c(F)c3)c2)CC1,WYKXQBVRXYMMOW-UHFFFAOYSA-N
rxn:4:201962:222985,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(C3CCCNC3)nc2C)c1,JFUCZCYYWVQLJN-UHFFFAOYSA-N
rxn:4:201995:225798,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OC4CCOCC4)nc3)ccn2)C1,RUGMTYSQZNVTHT-UHFFFAOYSA-N
rxn:4:201996:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)C1,KOEOHSOFSRXXTF-UHFFFAOYSA-N
rxn:4:202002:222776,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(O)CC4)cc3F)ccc2OC)CC1,BHJFLDYTGQDVSR-UHFFFAOYSA-N
rxn:4:202002:225819,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2OC)CC1,RGFXEWHYASZDMJ-UHFFFAOYSA-N
rxn:4:202008:223671,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,MZAWJCWISWWIMH-UHFFFAOYSA-N
rxn:4:202010:223761,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,QXZSBTZXCFLNIC-UHFFFAOYSA-N
rxn:4:202020:223937,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)C1,YECBOOVPLMYFGN-UHFFFAOYSA-N
rxn:4:202022:226715,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cn1,XORHJIOIPZFJJK-UHFFFAOYSA-N
rxn:4:202071:223927,C[Si](C)(C)CCOCn1c(-c2cnccc2OC2CCN(C(=O)C3CCOCC3)C2)cc2cccnc21,ATLAKSPWSYPAPV-UHFFFAOYSA-N
rxn:4:202072:226747,CCc1ncc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)cc1C(F)(F)F,OBOXQLBEOCRTQS-UHFFFAOYSA-N
rxn:4:202075:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)C4=O)nc3)c2)C1,YHMHBZZKKSNPEL-UHFFFAOYSA-N
rxn:4:202081:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ccncc3)C2)cc1,VIBQRPRYKLXDBZ-UHFFFAOYSA-N
rxn:4:202086:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnccc1OC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)C1,DJOCPYGGLMMOKX-UHFFFAOYSA-N
rxn:4:202095:226038,COc1cc(C(F)(F)F)c(F)cc1-c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C,JEDORBFHKUUDFP-UHFFFAOYSA-N
rxn:4:202098:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,UKEPYSUPNVWRDF-UHFFFAOYSA-N
rxn:4:202098:223932,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)nc2)CC1,GTXGTVVEDQCIKL-UHFFFAOYSA-N
rxn:4:202106:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)C1,YFXCNCRYIAWBEW-UHFFFAOYSA-N
rxn:4:202106:225437,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3cccc(CN4CCCCC4)c3)c2)C1,KPXSQCIFKZDHPO-UHFFFAOYSA-N
rxn:4:202107:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,XZUJBBYYKKMYDT-UHFFFAOYSA-N
rxn:4:202122:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)cc2)CC1,SMBVAXDSEYIOIY-SOAUALDESA-N
rxn:4:202126:223935,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2cccc(F)c2n1C(=O)OC(C)(C)C,VABFQJSKSCDHTB-UHFFFAOYSA-N
rxn:4:202146:223773,COc1cccc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3F)n(C(=O)OC(C)(C)C)c12,NXKMGUCZDUAAQO-UHFFFAOYSA-N
rxn:4:202146:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)c(F)c2F)CC1,FOVQNULVRDKOHK-UHFFFAOYSA-N
rxn:4:202161:223549,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(COc2c(C(C)C)cccc2C(C)C)cc1,LEOBMOHKPAVVEF-UHFFFAOYSA-N
rxn:4:202161:225181,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cccc(CN2CCOCC2)c1F,KISOPFDPTUHYLE-UHFFFAOYSA-N
rxn:4:202173:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,ZYMKKAZPABNVHN-UHFFFAOYSA-N
rxn:4:202175:225825,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4C(=O)N4CCOCC4)cc3)cn2)CC1,AYNSFWPMMTZEJN-UHFFFAOYSA-N
rxn:4:202209:223810,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,JCPYDKZNZZEUEP-UHFFFAOYSA-N
rxn:4:202233:223500,CC1CCCN(c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(=O)OC(C)(C)C)n2)C1,HCJSQGWQCSJFTI-UHFFFAOYSA-N
rxn:4:202233:225758,CC1CCCN(c2ccc(-c3ccncc3C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)n2)C1,LWUTUSHZAAJVLG-UHFFFAOYSA-N
rxn:4:202234:224180,Cc1c(-c2ccccc2OCCN2CCN(C)CC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,LLXPSIOOLBVSIO-UHFFFAOYSA-N
rxn:4:202275:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)cc1C,PCEXDHGJQJMVAM-UHFFFAOYSA-N
rxn:4:202275:227464,CCCCSc1ncc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)cn1,YQIOUGAAHCIGIV-UHFFFAOYSA-N
rxn:4:202291:225716,COCCOCc1cc(F)ccc1-c1ccc(CN2CCCC(C(F)(F)F)C2)c(N2CCOCC2)c1,LUHQBAAMOGNUBQ-UHFFFAOYSA-N
rxn:4:202322:226236,CCCCOc1ncc(C)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCCC2)c1,IJKVMLNRCIFKIA-UHFFFAOYSA-N
rxn:4:202328:228519,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cc(C)cc3C)CC2)CC1,PBURRZWPMNYTSF-UHFFFAOYSA-N
rxn:4:202330:225980,COc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,ZVXAGIFKHABUMG-UHFFFAOYSA-N
rxn:4:202331:223699,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,FONKRDSQGXUZMK-UHFFFAOYSA-N
rxn:4:202341:224846,CCC1CCC(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,QTIMYZRKRGJPNG-UHFFFAOYSA-N
rxn:4:202412:224018,CCOC(=O)Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)n2c1COCC2,RAIVLKAOFFEXGW-UHFFFAOYSA-N
rxn:4:202515:223527,COC(=O)c1ccc2c(c1)sc(=NC(=O)c1ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C,KYFUWSQEMJJNQZ-UHFFFAOYSA-N
rxn:4:202540:223493,CCOC(=O)c1cnc2c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cccc2c1N1CCOCC1,BCIBLQNDISDWCW-UHFFFAOYSA-N
rxn:4:202564:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,CNZMNKAPWICBFJ-UHFFFAOYSA-N
rxn:4:202647:223699,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)c(C(F)(F)F)c1)N1CCOCC1,FHKOTFUDKAIIQV-UHFFFAOYSA-N
rxn:4:202648:224018,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ncccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)C1,BORKYYMFLDWQSC-UHFFFAOYSA-N
rxn:4:202686:222849,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(C5CCNCC5)c(C#N)c4)ccc3OCC2=O)CC1,CQHTXIBPTJVAFX-UHFFFAOYSA-N
rxn:4:202706:223970,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1S(=O)(=O)N1CCC(C)CC1,JHLMLBZZZJRADP-UHFFFAOYSA-N
rxn:4:202712:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,GTDBNGRFOAYAIY-IBGZPJMESA-N
rxn:4:202712:223935,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)ccc3C2=O)C1,QLUAOTANYCDZJN-QFIPXVFZSA-N
rxn:4:202712:228904,COc1ccnc(Cl)c1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,PDSXNUDISYXDSL-KRWDZBQOSA-N
rxn:4:202713:223683,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)ccc3C2=O)CC1,LWOTWABHPWGFHC-UHFFFAOYSA-N
rxn:4:202713:226421,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(Cl)cc4N4CCCC4)ccc3C2=O)CC1,LCMYZZSEILDIDM-UHFFFAOYSA-N
rxn:4:202714:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cc2Cl)CC1,GGEDQCYEUOVVSG-UHFFFAOYSA-N
rxn:4:202714:224270,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ncccc45)cc23)C1,WCQFPBIAFVWGST-UHFFFAOYSA-N
rxn:4:202720:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(C)cc23)cc1,BUKMJQGEXWXTAI-UHFFFAOYSA-N
rxn:4:202754:228303,CCN(C)c1ncc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cn1,ULGXSZGZKWAXCA-UHFFFAOYSA-N
rxn:4:203061:223696,COC(=O)C1(n2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,FHVAQNGMCNNIIZ-UHFFFAOYSA-N
rxn:4:203545:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CC(N5C(=O)CSC5=O)C4)o3)cc2F)CC1,RNXAOIDJSHWBPN-UHFFFAOYSA-N
rxn:4:203565:224161,COC(=O)c1cn(C2CCCCO2)nc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,IMSUAVKOIVOUPL-UHFFFAOYSA-N
rxn:4:203684:223658,COc1c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cncc1S(=O)(=O)N1CCOCC1,QCDRWRRVLYMDAY-UHFFFAOYSA-N
rxn:4:203696:225558,O=C(c1ccccc1-c1ccccc1OCC1CCOC1)N1CC(N2C(=O)CSC2=O)C1,ROWVZFUNGXPMRM-UHFFFAOYSA-N
rxn:4:203708:224129,CN(C(=O)c1cccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c1)C1CCCCC1,LOLSMHZWEYGSCU-UHFFFAOYSA-N
rxn:4:203709:225875,O=C(c1ccc(-c2ccc(N3CCOCC3)cc2Cl)o1)N1CCC(N2C(=O)COC2=O)C1,BMGBRPMHSSMFLO-UHFFFAOYSA-N
rxn:4:203712:226159,O=S(=O)(c1ccc(-c2cccc(N3CCCCC3)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,YWRNWIGJSOOPFD-UHFFFAOYSA-N
rxn:4:203757:223835,Cc1cc(F)c(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,BOHVNRMIVCQJTM-UHFFFAOYSA-N
rxn:4:203833:223860,O=C(c1ccc(-c2ccccc2CN2CCCc3ccccc32)o1)N1CCC(N2C(=O)CSC2=O)CC1,NIKZCCFUQPQQRC-UHFFFAOYSA-N
rxn:4:203833:225559,O=C(c1ccc(-c2ccc(OCC3CCOC3)cc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,UFVQPQXVDOSUEZ-UHFFFAOYSA-N
rxn:4:203833:225884,O=C(c1ccc(-c2ccc(C3COCCO3)c(F)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,SIXQEXGSGHRXGC-UHFFFAOYSA-N
rxn:4:203833:227697,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cnc1Cl,APBZADFTKGYFRA-UHFFFAOYSA-N
rxn:4:203883:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3)cc2)CC1,NGJZWTXXXLXIJB-RQNOJGIXSA-N
rxn:4:203884:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1,JECOCTUTEZUIBD-UHFFFAOYSA-N
rxn:4:203897:222622,CCC(C)c1cc(-c2cccc(N3CCN(S(=O)(=O)CC)CC3)c2)cc(C2CCCNC2)n1,QMWPGRMAHKRZCI-UHFFFAOYSA-N
rxn:4:203915:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)c1,JXSQUURMLYBGDW-UHFFFAOYSA-N
rxn:4:203919:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)c(F)c2)CC1,SMRJPYCHGYMVKN-AFARHQOCSA-N
rxn:4:203937:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccccc3S(=O)(=O)N3CC(N4CCCC4)C3)c2)CC1,RMLOQVDHVHEPPN-UHFFFAOYSA-N
rxn:4:203949:222694,CC(C)[C@H]1CC[C@H](Cn2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,FNXLPUQBMHCUOF-MEMLXQNLSA-N
rxn:4:203955:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,HJRWMTYLSLGVER-RQNOJGIXSA-N
rxn:4:203958:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,RELJPOWWVTUECJ-UHFFFAOYSA-N
rxn:4:203977:227551,COC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1Cl,QRKSCAVQEZHBJN-UHFFFAOYSA-N
rxn:4:203985:225384,O=C(c1ccccc1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)N1CCC(N2C(=O)COC2=O)CC1,VLLNUXQEHLGXGG-UHFFFAOYSA-N
rxn:4:204000:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)cc2)CC1,XWUYBVOZTSSTPR-UHFFFAOYSA-N
rxn:4:204011:225274,COCCOc1c(F)cc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)c(C)c1F,KXWMYUKDJOFPTK-UHFFFAOYSA-N
rxn:4:204039:223010,CN(C)C1CCN(c2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2C(F)(F)F)CC1,IXAXKBWMBNTGHZ-UHFFFAOYSA-N
rxn:4:204046:226115,CC(C)CC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,KLFOSWGYOZBYBW-UHFFFAOYSA-N
rxn:4:204063:222849,Cc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1-c1ccc(C2CCNCC2)c(C#N)c1,SBEFGAFPAQXFEV-UHFFFAOYSA-N
rxn:4:204064:222849,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1ccc(C2CCNCC2)c(C#N)c1,AURGFCPBIJBDEX-UHFFFAOYSA-N
rxn:4:204065:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3C)cc2)CC1,WWZVFAHAGQQCKO-UHFFFAOYSA-N
rxn:4:204073:225294,CCN1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCN(C(C)=O)CC4)c(C)cc3C)cn2)CC1,MSSAXKWFWYLOLD-UHFFFAOYSA-N
rxn:4:204082:225720,CCOC(=O)COc1ccccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,WCZJBUWUGWMDLO-UHFFFAOYSA-N
rxn:4:204082:227199,CN1C(=O)Cc2ccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)cc21,MUWOKQFBFXUBOF-UHFFFAOYSA-N
rxn:4:204082:228320,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)ccn1,SOMCQVXIWUFOFR-UHFFFAOYSA-N
rxn:4:204082:228628,O=C(c1cccc(-c2cc(C3CCC3)cs2)c1)N1CCC(N2C(=O)COCC2=O)CC1,VJNOTAPAKOADNB-UHFFFAOYSA-N
rxn:4:204099:225896,COCCOc1cc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)c(F)cc1F,LLOLWJINCXEHRU-UHFFFAOYSA-N
rxn:4:204109:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)C1,PWTANOVRFAJCKV-UHFFFAOYSA-N
rxn:4:204109:226469,CN1C(=O)COc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc21,MVIZOLIPOZVMML-UHFFFAOYSA-N
rxn:4:204109:227839,Cc1cccc(C2CC2)c1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,SLFLDZOIVUEOOB-UHFFFAOYSA-N
rxn:4:204109:228924,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(Cl)n1,HIOTZEJCUWAZIK-UHFFFAOYSA-N
rxn:4:204116:225518,CCCCCOc1ncc(C)cc1-c1cccc(C(=O)N2CCCN(C3CCOC3)CC2)c1,QGTZXFMPIJVBHJ-UHFFFAOYSA-N
rxn:4:204131:224078,CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cccc21,IRPKGDOZXQSGFJ-UHFFFAOYSA-N
rxn:4:204140:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,JLZQRCSYBIZWCK-UHFFFAOYSA-N
rxn:4:204147:225035,CC1CCCCN1Cc1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1N1CCCC1,ARXFYNMSJULPPI-UHFFFAOYSA-N
rxn:4:204156:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,KMDWPDCNZBHQIV-UHFFFAOYSA-N
rxn:4:204179:224819,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3C)CC2)cc1C,CVUKRRFKXBXRAL-UHFFFAOYSA-N
rxn:4:204186:225274,COCCOc1c(F)cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)c(C)c1F,OMVUSLGGLNOYCS-UHFFFAOYSA-N
rxn:4:204323:223606,CCOC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)nn2c1CCC2,MJJJFQJLACBEHF-UHFFFAOYSA-N
rxn:4:204403:223815,COCn1ncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1C12CCCC1O2,MOOPCNKUZYKCKS-UHFFFAOYSA-N
rxn:4:204458:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncn(C(=O)OC(C)(C)C)c4c3)cn2)CC1,VYRLVHBXEWQFTP-UHFFFAOYSA-N
rxn:4:204459:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc4ccn(C(=O)OC(C)(C)C)c4cn3)c2)CC1,XZXASSRDLWTECE-UHFFFAOYSA-N
rxn:4:204473:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)c(Cl)cn4C(=O)OC(C)(C)C)cc2F)CC1,IHGTZAWBLWIHTM-UHFFFAOYSA-N
rxn:4:204475:223492,Cc1cc(-c2nc(Cl)cc3ccn(C(=O)OC(C)(C)C)c23)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OPBZMFGQXHRSEZ-UHFFFAOYSA-N
rxn:4:204514:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1,AFUNEYQRFVUDTB-UHFFFAOYSA-N
rxn:4:204680:225294,CCN1CCN(c2ncc(-c3ccc4c(n3)CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,ORIXGOPGDCBVMM-UHFFFAOYSA-N
rxn:4:204682:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc(C)cc4c3CN(C(=O)OC(C)(C)C)CC4)cc21,MVSUSTGBZHQSCR-UHFFFAOYSA-N
rxn:4:204682:223648,Cc1cc2c(c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n1)CN(C(=O)OC(C)(C)C)CC2,MYFFAXFWOYISCW-UHFFFAOYSA-N
rxn:4:204696:228104,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1c(C#N)cccc1C#N,NSBHJIQLJQTBKQ-UHFFFAOYSA-N
rxn:4:204720:222855,CCN1CCN(Cc2cc3c(c(-c4cc(OC)cc(C5CCCNC5)c4)c2)OCC3)CC1,AXCANAXGBFMYNL-UHFFFAOYSA-N
rxn:4:204720:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)cc2)CC1,HJIOFYWAOLEGEM-YOCNBXQISA-N
rxn:4:205185:223697,Cn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cnc1C(F)(F)C(=O)[O-],CFHWTOFJFDZUJA-UHFFFAOYSA-M
rxn:4:206232:224018,O=C(c1csc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)n1)N1CCC(F)(F)CC1,XQSSWJCJZSEAMY-UHFFFAOYSA-N
rxn:4:206411:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4(C#N)CCOCC4)nc3)cn2)C1,RPMOVBFFHCTSQR-UHFFFAOYSA-N
rxn:4:206444:222546,O=C(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1Cl)N1CCOCC1,BXISDCWJDDXQGJ-UHFFFAOYSA-N
rxn:4:206449:222546,O=C(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1F)N1CCOCC1,MKTOKJJEGZBWGA-UHFFFAOYSA-N
rxn:4:206924:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCN(C)CC2)c(Cl)c1,PYHOOLWPZCYYKV-UHFFFAOYSA-N
rxn:4:206943:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1sc(C2CCN(S(C)(=O)=O)CC2)nc1C,XDZLBWLHRRTNGY-UHFFFAOYSA-N
rxn:4:206956:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,PVPGMFVFYSPXQG-UHFFFAOYSA-N
rxn:4:206957:222631,CC1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c2)CC1,GQBYHWPOZVSYLY-UHFFFAOYSA-N
rxn:4:206976:222465,CN1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,WTBGUBQDDAPAMM-UHFFFAOYSA-N
rxn:4:206980:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,IQPUPHCEAOXFCM-UHFFFAOYSA-N
rxn:4:206990:224818,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)CC1,IYAMOJFEQVZLAY-UHFFFAOYSA-N
rxn:4:207067:223835,Cc1cc(F)c(-c2nc(C3CCOCC3)cc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCC(C)CC1,CNTRTRXZQMJRRZ-UHFFFAOYSA-N
rxn:4:207082:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(N4C(=O)CC(N5CCCCC5)C4=O)cc3)c2)CC1,FJAUZDVKAVKYCA-UHFFFAOYSA-N
rxn:4:207262:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc4c(ccn4CC(F)(F)F)c3)cc(C(F)(F)F)c2)CC1,BYSDKNWOMKLGNQ-UHFFFAOYSA-N
rxn:4:207262:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc4c(ccn4CC(F)(F)F)c3)cc2)CC1,URDSTZDVGFZWGK-UHFFFAOYSA-N
rxn:4:207315:223832,COC(=O)c1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)n2c1COCC2,ZOISMUAGMWOACK-UHFFFAOYSA-N
rxn:4:207669:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc2c(n1)OCCN2C(=O)C(C)(C)C,KRTRSSBKGLXODK-UHFFFAOYSA-N
rxn:4:207760:224268,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc1F,SSPNJDREJJWPBZ-UHFFFAOYSA-N
rxn:4:207765:225279,Cc1cc2c(cnn2C2CCCCO2)c(-c2c(C)nn(C(=O)OC(C)(C)C)c2C)c1C(F)(F)F,APBNASMCTQRWSL-UHFFFAOYSA-N
rxn:4:207794:222546,CN1CCN(Cc2cc3c(c(-c4ccc(OCCNC5CCCCC5)c(F)c4)c2)OCC3)CC1,VMYPKLZWEIYIBI-UHFFFAOYSA-N
rxn:4:207794:222634,CN1CCN(Cc2cc3c(c(-c4ccc(OCCNC5CCCC5)c(F)c4)c2)OCC3)CC1,GFGWBKVBYVBZQV-UHFFFAOYSA-N
rxn:4:207796:224397,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)ccc3oc2=O)CC1,RSKOCDBLLNKESZ-UHFFFAOYSA-N
rxn:4:207946:225531,CCN(CC)Cc1cc(F)ccc1-c1cc(OC)c2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,KHIWSRVSHUBGER-UHFFFAOYSA-N
rxn:4:207965:223064,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCNCC5)nc4F)ccc2OC32CCC(C)CC2)cc1,MTIZBCYSMDFGDK-UHFFFAOYSA-N
rxn:4:209457:223659,Cc1ncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCOC1,HYKGMODQQPMZGX-UHFFFAOYSA-N
rxn:4:209821:223542,CC1CCN(c2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)ccn2)CC1,CLRODCVCKKVCDQ-UHFFFAOYSA-N
rxn:4:209893:223845,Cc1ccc(N2CCN(C)CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,GMIKXZRLADMCPP-UHFFFAOYSA-N
rxn:4:210528:223539,COc1ccc(-c2cnc3c(c2)C(C#N)CCC3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,GZTGBNFSJHVFAU-UHFFFAOYSA-N
rxn:4:211056:223815,CN1CCN(C2CCc3ccc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cc32)CC1,FTKXFUYIEXGYRF-UHFFFAOYSA-N
rxn:4:211089:225852,N#CC1=C2CCCCCN2c2cc(-c3cnc(C4CCCCC4)nc3Cl)ccc2S1(=O)=O,DJPXJYHGOMGSLB-UHFFFAOYSA-N
rxn:4:212382:223490,Cc1ccc(-c2cnn3c2CCCCC3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DTILXNLKGALSEV-UHFFFAOYSA-N
rxn:4:212503:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(Oc4cccc(OC(F)(F)F)c4)n(CC(F)F)n3)cc2Cl)CC1,YXSQPZKQRUOJIR-UHFFFAOYSA-N
rxn:4:212511:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(C(=O)CCC(F)(F)F)C2)c1,QKMHFMOJSAADMB-UHFFFAOYSA-N
rxn:4:212547:223602,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,LJWYFAHTBJEIFT-UHFFFAOYSA-N
rxn:4:212571:223505,Cn1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,ZVOGWFIXTZSZTR-UHFFFAOYSA-N
rxn:4:212571:223530,Cn1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,VVGODORQUBOUDP-UHFFFAOYSA-N
rxn:4:212593:223652,COc1ccc(Cl)c2cc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)n(C(=O)OC(C)(C)C)c12,DHIOVENGQDWJJJ-UHFFFAOYSA-N
rxn:4:212605:223670,Cn1cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,HMOQPTLLVZKZDJ-UHFFFAOYSA-N
rxn:4:212605:226511,Cn1cc(-c2cc(Cl)cnc2OCC2CC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,ZPWWVTMJHDVNNE-UHFFFAOYSA-N
rxn:4:212620:224718,O=C(Cc1ccc(F)cc1-c1ccc(OCCN2CCOCC2)nc1)N1CCC(COc2ncccn2)CC1,FWBKKIILNDSZHS-UHFFFAOYSA-N
rxn:4:212647:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)CC1,FHZIFTDARUZYIO-UHFFFAOYSA-N
rxn:4:212651:224271,CC(C)(C)OC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2cc3cccnc3n2C(=O)OC(C)(C)C)CC1,AMIZGQCIXCXHMU-UHFFFAOYSA-N
rxn:4:212655:223773,COC(=O)c1cc(-c2cc3cccc(OC)c3n2C(=O)OC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PQIPWKLCCQWJKT-UHFFFAOYSA-N
rxn:4:212676:223812,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2)ncn1,FITXXLLOGXRDOA-UHFFFAOYSA-N
rxn:4:212691:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,KDLKEXZNUPCBDJ-UHFFFAOYSA-N
rxn:4:212696:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1,IYUUTZCHLHPKNI-UHFFFAOYSA-N
rxn:4:212705:222849,CN(c1ccccn1)C1CCN(C(=O)CCc2ccccc2-c2ccc(C3CCNCC3)c(C#N)c2)CC1,YPEKQIIZVVTOQF-UHFFFAOYSA-N
rxn:4:212723:223696,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cc4)CC3)n2)cc1,OSWOYJYWZSXFSU-UHFFFAOYSA-N
rxn:4:212723:225297,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCCC6)c5)cc4)CC3)n2)cc1,SNVJQGCZQCQDBT-UHFFFAOYSA-N
rxn:4:212738:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCOCC2)c1,OREKJYBWTMYNKY-UHFFFAOYSA-N
rxn:4:212747:223823,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCOCC1,SWLIGSGIKJLIEL-UHFFFAOYSA-N
rxn:4:212750:223490,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,TWDPXPQGEDZETI-UHFFFAOYSA-N
rxn:4:212769:225828,CCOC(=O)c1nc2n(c1-c1cnc(N3CCCCCC3)nc1)CCN(C(=O)OC(C)(C)C)C2,JHKBEFGWSQLYAI-UHFFFAOYSA-N
rxn:4:212770:223588,CCOC(=O)c1nn2c(c1-c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c1)CN(C(=O)OC(C)(C)C)CC2,KVRMYKSUCDYYOP-UHFFFAOYSA-N
rxn:4:212804:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)cc2Cl)CC1,SYBPTQXTEMKXGC-UHFFFAOYSA-N
rxn:4:212829:223530,CN(C(=O)c1cc2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,MYQGRFPQUFMKSF-UHFFFAOYSA-N
rxn:4:212830:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc4[nH]c(C(=O)N(C)[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)cc4c3)cc2)cc1,UHRCHUFKAOJBHQ-SSEXGKCCSA-N
rxn:4:212870:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnn(COCC[Si](C)(C)C)n1,HUPIAKRBHLQJLI-UHFFFAOYSA-N
rxn:4:212906:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cncc(OC3CN(C(=O)OC(C)(C)C)C3)n2)c1,PIAGHEXKKXRQCY-UHFFFAOYSA-N
rxn:4:212908:225215,CCOC(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCC(C)CC4)c3Cl)cn2)C1,OSKKGEPCEIMFLK-UHFFFAOYSA-N
rxn:4:212923:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,BFZFDYHQEOMBGO-UHFFFAOYSA-N
rxn:4:212964:223774,COc1cccc2c1cc(-c1cnc(OC3CCN(C(=O)OC(C)(C)C)C3)cn1)n2C(=O)OC(C)(C)C,WRKSINHXTZUQHT-UHFFFAOYSA-N
rxn:4:212970:223659,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,JTKZNWXGAYWSDY-UHFFFAOYSA-N
rxn:4:213007:223743,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)cn3)C2)cc1F,SBZUVHJYZGDOCC-UHFFFAOYSA-N
rxn:4:213031:224413,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3c(OC)cc(C(F)(F)F)cc3C(F)(F)F)cn2)C1,VYWGCLLEPLZFGI-UHFFFAOYSA-N
rxn:4:213043:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,SPVYPPFLPMSHOP-UHFFFAOYSA-N
rxn:4:213048:224820,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1C,GVLBUOUTMSHACU-UHFFFAOYSA-N
rxn:4:213053:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,WHPMTILSPTWWLY-UHFFFAOYSA-N
rxn:4:213053:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,HSXAHDZVSPDPOR-UHFFFAOYSA-N
rxn:4:213073:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccnn2CC2CCN(C(=O)OC(C)(C)C)CC2)c1,TWMTYZPFHJLDTF-UHFFFAOYSA-N
rxn:4:213073:223823,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,YSIQCSLLHLJQSK-UHFFFAOYSA-N
rxn:4:213078:224653,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)c2C(F)F)CC1,TXMSPVWFQIXSSC-UHFFFAOYSA-N
rxn:4:213078:225367,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(N4CCC(F)(F)CC4)nc3)c2C(F)F)CC1,WYBUDMKTVRUAKJ-UHFFFAOYSA-N
rxn:4:213079:224268,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)nc2)CC1,XNTSJZZEUPTPGA-UHFFFAOYSA-N
rxn:4:213081:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cc2)CC1,WSMVJMSCBYHYSJ-UHFFFAOYSA-N
rxn:4:213081:226235,CCCCOc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(C)n1,ZZUYARZPMYGLJM-UHFFFAOYSA-N
rxn:4:213093:223169,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C4CCNCC4)nc3)c(C#N)c2)CC1,KTWBFXWKKFMGAM-UHFFFAOYSA-N
rxn:4:213093:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cc2)CC1,KJBFUQATYJXWJN-UHFFFAOYSA-N
rxn:4:213093:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N,KAPKTQOIJIYOJN-UHFFFAOYSA-N
rxn:4:213094:223935,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)CC1,LLFQYZXCINOOAF-UHFFFAOYSA-N
rxn:4:213096:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,PQXLFSWVQXSENP-UHFFFAOYSA-N
rxn:4:213097:223490,Cc1ccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YTZNAHRORWTYTC-UHFFFAOYSA-N
rxn:4:213109:224770,Cc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)cc(S(=O)(=O)N2CCCC2)c1,ZOEPKKMLXUHZEF-UHFFFAOYSA-N
rxn:4:213128:225561,COc1nc(-c2ccccc2C(=O)OC(C)(C)C)cn1C1CCCN(C(=O)OC(C)(C)C)C1,BWBNQLFCHISNKK-UHFFFAOYSA-N
rxn:4:213128:228002,COc1nc(-c2sccc2C2CCCC2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,UZEZWPJZBWCBPQ-UHFFFAOYSA-N
rxn:4:213130:222892,COc1cc(N2CCNCC2)ccc1-c1cncc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WDPGKXOULPHEQJ-UHFFFAOYSA-N
rxn:4:213130:223501,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,HXDWFEGBJDGXER-UHFFFAOYSA-N
rxn:4:213132:222948,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,IMIJKPNUJBNSTK-UHFFFAOYSA-N
rxn:4:213132:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c2)CC1,SUDPPJAMYJJBSV-UHFFFAOYSA-N
rxn:4:213133:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cnc(OCC2CCN(CC3CCCO3)CC2)nc1,GHMLJZSWJNIJIE-UHFFFAOYSA-N
rxn:4:213134:223945,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,BBJZWJBSLMHOCW-UHFFFAOYSA-N
rxn:4:213135:225518,CCCCCOc1ncc(C)cc1-c1cnc(OC2CCN(C(=O)CC(C)(C)C)CC2)nc1,JQPAENRDBFKHSE-UHFFFAOYSA-N
rxn:4:213138:223637,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cnc2F)CC1,MIZYLVLXBKTLCI-UHFFFAOYSA-N
rxn:4:213141:225899,Cc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])n(C(=O)OC(C)(C)C)n1,RCBBNYUXKHWWRE-UHFFFAOYSA-N
rxn:4:213144:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,GIIVTJTTZDXLGH-UHFFFAOYSA-N
rxn:4:213144:225451,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc(SC3CCCCC3)cc2)CC1,VCFQMJDQRPCHER-UHFFFAOYSA-N
rxn:4:213147:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,PSZQONAZTCABJZ-UHFFFAOYSA-N
rxn:4:213147:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2Cl)CC1,FIOOCPHOVJBFPU-UHFFFAOYSA-N
rxn:4:213150:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2Cl)CC1,NMINYMBZNNIFBX-UHFFFAOYSA-N
rxn:4:213150:225423,CN(C)CCCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,MBUJDENAFNXQBP-UHFFFAOYSA-N
rxn:4:213162:225226,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(N5CCC(C)CC5)ncc4F)cn3)CC2)cc1F,CFTCIPPFRLMKGT-UHFFFAOYSA-N
rxn:4:213195:223812,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,VZBLGTRWMUZVFH-UHFFFAOYSA-N
rxn:4:213207:222584,COc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c1,WBNBCMGTASDLDN-UHFFFAOYSA-N
rxn:4:213213:223889,CN(c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)n1)C1CCN(C(=O)OC(C)(C)C)CC1,DDXGTISRCCXFKP-UHFFFAOYSA-N
rxn:4:213215:227770,COc1ncc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)cc1[N+](=O)[O-],AYGVUJHCLXCWIZ-UHFFFAOYSA-N
rxn:4:213223:223652,COc1ccc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,GFNPYZVTANNKJU-UHFFFAOYSA-N
rxn:4:213226:222948,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)[nH]1,FRQKYFUSSRMFAD-QFIPXVFZSA-N
rxn:4:213236:224752,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cn3)C2)cc1C,HYLZNSMNORYJSY-UHFFFAOYSA-N
rxn:4:213243:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,KLHSZBXSCFGEFS-KWQFAZJVSA-N
rxn:4:213258:228459,COc1ncc(-c2c(C)nn(CC3CCCN(C(=O)OC(C)(C)C)C3)c2C)c(SC)n1,VXAHODBOOVLJOB-UHFFFAOYSA-N
rxn:4:213259:228090,CCOCc1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c1,SEDPUFYYBUZATA-UHFFFAOYSA-N
rxn:4:213285:224825,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4cc(C(=O)N(C)OC)cc([N+](=O)[O-])c4)cc3)C2)c1,YVNDWGOVRKGARB-UHFFFAOYSA-N
rxn:4:213289:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,NLEDBYNIPJNSMG-UHFFFAOYSA-N
rxn:4:213354:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cn2)CC1,KEGXRQZDPDEZCZ-UHFFFAOYSA-N
rxn:4:213428:223521,CC(c1cccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KYSZGKKVTCBIIJ-BFZOCEIISA-N
rxn:4:213458:228195,COc1ccc(-c2cn(C(C)(C)C)nc2C)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,HICUSCFKYCUVNU-MPFGFTFXSA-N
rxn:4:213474:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc2C1,QNQDLJBMRQYHCD-XIFFEERXSA-N
rxn:4:213476:226710,C[Si](C)(C)c1c(F)ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c1F,SVAUDKNCQZGAHJ-NRXJRNGASA-N
rxn:4:213476:229287,Cc1ccsc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,RLBCSSHQQTYPPZ-WASJGJKXSA-N
rxn:4:213663:225361,CC(C)(C)OC(=O)N1CC(c2ncc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)C1,DYPVEEIFKRJMRZ-UHFFFAOYSA-N
rxn:4:213687:223811,COCCN1CCN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)CC1,DRMBYFBQBIPRSU-UHFFFAOYSA-N
rxn:4:213687:223813,COCCN1CCN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cn2)CC1,YCEIVFAXZOAVOE-UHFFFAOYSA-N
rxn:4:213693:225877,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(Cl)cc2N2CCOCC2)cn1,UHMRITOJHBNCNO-UHFFFAOYSA-N
rxn:4:213715:223940,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,QRPOINBRJINBMX-UHFFFAOYSA-N
rxn:4:213715:224371,COC(=O)C1CCN(c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,VYNVKRHFQKWIQK-UHFFFAOYSA-N
rxn:4:213759:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)c2)CC1,LVKXFUIKRUQRCW-UHFFFAOYSA-N
rxn:4:213760:225926,O=C(C1CCOCC1)N1CC(Cn2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cn2)C1,TVQWIIHNQWCSGH-UHFFFAOYSA-N
rxn:4:213764:223818,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)C1,PUQJXYPCULJCBZ-UHFFFAOYSA-N
rxn:4:213769:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)nc3)ccc21,SXLNBQWVBINFDW-UHFFFAOYSA-N
rxn:4:213769:224081,CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)cn1,FLKBEFBVFBUBIU-UHFFFAOYSA-N
rxn:4:213798:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cc1,HUNAXFTXULNKCP-UHFFFAOYSA-N
rxn:4:213798:224273,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cn2)C1,GINVONZWDCUXLY-UHFFFAOYSA-N
rxn:4:213799:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)c(Cl)c1,UAWHWXCWKNYEME-UHFFFAOYSA-N
rxn:4:213801:225877,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(Cl)cc3N3CCOCC3)n2)C1,FNYUEZRRZLAKIW-UHFFFAOYSA-N
rxn:4:213803:225977,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cc(Cl)cnc2N2CCOCC2)cn1,RZLWVZQJYJXMOT-UHFFFAOYSA-N
rxn:4:213805:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c(F)c2)CC1,ITRFCPNGLVMABG-INCBEPGWSA-N
rxn:4:213828:222719,O=S(=O)(c1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1,SNKHNQKMVUWCGB-UHFFFAOYSA-N
rxn:4:213836:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,FABITHWTBMPOLI-UHFFFAOYSA-N
rxn:4:213838:225519,CCOC(=O)CCc1ccc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,ONRDGPDPROTHHN-UHFFFAOYSA-N
rxn:4:213838:226714,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2ccnn2C(=O)OC(C)(C)C)CC1,AYRSYAGBDRPOJZ-UHFFFAOYSA-N
rxn:4:213839:226046,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccnc(C(F)(F)C(F)(F)F)c2)CC1,AHAUGFLVNZGRMD-UHFFFAOYSA-N
rxn:4:213880:222432,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)CC1,GGXKFECJIKNUOV-UHFFFAOYSA-N
rxn:4:213880:225979,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(N3CCOCC3)c(Cl)c2)CC1,SNLOEPBSNDDXHL-UHFFFAOYSA-N
rxn:4:213881:224269,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cn2)CC1,KXTHQWKVJFPMOX-UHFFFAOYSA-N
rxn:4:213884:223491,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)n2)CC1,WVNWATJQNGPPKD-UHFFFAOYSA-N
rxn:4:213887:223531,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)nc2)CC1,LMFRRSPUQMXPHS-UHFFFAOYSA-N
rxn:4:213887:225215,CC1CCN(c2nccc(-c3ncc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2Cl)CC1,HLXZZOAMYCZSEL-UHFFFAOYSA-N
rxn:4:213888:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c(Cl)c2)CC1,JBKSMDQQHOMJGD-UHFFFAOYSA-N
rxn:4:213890:224171,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(OCCCN4CCCC4)c(F)c3)ncn2)CC1,BGYNESADKDSYER-UHFFFAOYSA-N
rxn:4:213891:225899,Cc1cc(-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)cn2)n(C(=O)OC(C)(C)C)n1,VMXJPCZATKSPIN-UHFFFAOYSA-N
rxn:4:213892:225829,CC1CCN(c2ncc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,UAOLKHCBXZZFRR-UHFFFAOYSA-N
rxn:4:213892:225982,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOCC3)cc2F)CC1,OIPJWCXCRBTZQM-UHFFFAOYSA-N
rxn:4:213894:223935,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)CC1,INCQUKGFNPYDMF-UHFFFAOYSA-N
rxn:4:213894:225979,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)CC1,RXQOOHNYCRJRCG-UHFFFAOYSA-N
rxn:4:213896:223889,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,HGHSFWMYEHIAFT-UHFFFAOYSA-N
rxn:4:213896:224352,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cn2)CC1,HQUFATGHAJXTKK-UHFFFAOYSA-N
rxn:4:213897:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,GDASUKPQZODKDT-UHFFFAOYSA-N
rxn:4:213898:225172,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,GBAAALDJFCTUGX-UHFFFAOYSA-N
rxn:4:213901:224718,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(OCCN3CCOCC3)nc2)CC1,JWPDOLWBQMYDGM-UHFFFAOYSA-N
rxn:4:213902:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)CC1,WWXPVMIRRQZTHH-UHFFFAOYSA-N
rxn:4:213902:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,OOTTZWXWIPRCDC-UHFFFAOYSA-N
rxn:4:213938:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc(C2CCCNC2)n1,TUJXWGNYDBPOEU-UHFFFAOYSA-N
rxn:4:213940:222813,Cn1ncc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,QCSLBLWOLUDAPG-UHFFFAOYSA-N
rxn:4:213941:223638,Cc1c(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,ARTZOLWVOYCBPP-UHFFFAOYSA-N
rxn:4:213941:223646,Cc1c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,CYWIOZVYSZOXJT-UHFFFAOYSA-N
rxn:4:213942:223938,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C,FHPKXFCIPGSYGD-UHFFFAOYSA-N
rxn:4:213944:223885,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)[nH]1,WIHPEZQXCYSJBI-UHFFFAOYSA-N
rxn:4:213947:225889,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2ccnn2COCC[Si](C)(C)C)n1,YOSHHYQMGDRRAQ-UHFFFAOYSA-N
rxn:4:213968:224319,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)C2)c1,SDBQJOHSHLOWHG-UHFFFAOYSA-N
rxn:4:213972:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,IIHXGKLGNOWKIP-UHFFFAOYSA-N
rxn:4:213972:224759,O=C(c1cc(F)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1)N1CCOCC1,KQVZZMHEDGYQPM-UHFFFAOYSA-N
rxn:4:213979:223501,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)nn1,IPSOGXSJMPCARX-UHFFFAOYSA-N
rxn:4:213985:223660,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,IJGJATKYVVCCAD-UHFFFAOYSA-N
rxn:4:213985:223880,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cc(C)ccc3n2C(=O)OC(C)(C)C)c1,MGOGZPGWHGSAPY-UHFFFAOYSA-N
rxn:4:213985:226589,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(C(F)F)ncc2C(C)C)c1,IEZIRPXSYKFMFT-UHFFFAOYSA-N
rxn:4:213990:223932,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2c(Cl)cccc2n1C(=O)OC(C)(C)C,DSEPVMPHXBQMSM-UHFFFAOYSA-N
rxn:4:213991:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(CC5CCCOC5)CC4)nc3)cc2)CC1,LZIPVMZZTPASFM-PECFQXNXSA-N
rxn:4:213992:223847,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(CC5CCOCC5)CC4)nc3)cc2)CC1,LXERVJQBOBVOMM-UHFFFAOYSA-N
rxn:4:213997:225975,CC1CN(c2ccncc2-c2ccnc(N3CCOCC3)c2Cl)CCN1C(=O)OC(C)(C)C,DAKKPTNGDZLYAQ-UHFFFAOYSA-N
rxn:4:214011:225165,COc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)ccc1N1CCOCC1,XOCUOVOJHCSRCK-UHFFFAOYSA-N
rxn:4:214011:225557,COC(=O)C1(c2ccc(-c3ccc(S(=O)(=O)n4nc(C)c(S(=O)(=O)N5CCCC5)c4C)cc3)cc2)CC1,HTBGGFAJYLJGJJ-UHFFFAOYSA-N
rxn:4:214047:223886,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,RAKULLLDHYBVDP-UHFFFAOYSA-N
rxn:4:214054:223388,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)O)cc3)CC2)C(=O)N1C1CC1,ZLASAPYDPPPCEK-UHFFFAOYSA-N
rxn:4:214059:223003,CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cn3)CC2)C1,LQRNACOJFQJNBT-UHFFFAOYSA-N
rxn:4:214135:224658,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCN(C(C)=O)CC3)cc2)nc2n1CCOC2,AAUSCMNYURWRBQ-UHFFFAOYSA-N
rxn:4:214144:223055,Cc1nc(N2CCNCC2)ccc1-c1c(C#N)cnc2c1CCN(C(=O)OC(C)(C)C)C2,JWXUHYNCORRLRX-UHFFFAOYSA-N
rxn:4:214147:226730,CC(C)(C)OC(=O)N1CCn2c(-c3cnc(OC4CCC4)nc3Cl)nc(C(F)(F)F)c2C1,RRUDZFZLSNPVAN-UHFFFAOYSA-N
rxn:4:214180:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)c(Cl)cn1,CSTZPAFYAYSCCM-UHFFFAOYSA-N
rxn:4:214185:228109,CCc1cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)cc(C#N)n1,DNQAIMCBEZPBNP-UHFFFAOYSA-N
rxn:4:214190:222886,CC(=O)N1CCN(C(=O)Cn2ccc3c(-c4ccc(N5CCNCC5)cc4C#N)cccc32)CC1,SMAZYRYQXXCJPP-UHFFFAOYSA-N
rxn:4:214255:223648,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2c(Cl)ncnc21,MZXQPELXNMDOEI-UHFFFAOYSA-N
rxn:4:214255:223773,COc1cccc2cc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncnc(Cl)c34)n(C(=O)OC(C)(C)C)c12,RDDYYQSSWPGXAW-UHFFFAOYSA-N
rxn:4:214255:224653,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(Cl)cc2OCC2CCCCO2)c2c(Cl)ncnc21,SMIWHRQOHAEWCG-UHFFFAOYSA-N
rxn:4:214256:226444,Cc1nc(C2CCCO2)ccc1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,NTXJRNPJVUMYHQ-UHFFFAOYSA-N
rxn:4:214274:223596,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cccc32)CC1,ZOLPVOIHJYKFGN-UHFFFAOYSA-N
rxn:4:214274:223650,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cccc32)CC1,JEKRHJOUHJOLKL-UHFFFAOYSA-N
rxn:4:214275:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,GKGWFWGDWGOLEL-UHFFFAOYSA-N
rxn:4:214276:223775,COc1ccc2c(c1)c(-c1cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c1)cn2C(=O)OC(C)(C)C,USXMRTFQMBLUGZ-UHFFFAOYSA-N
rxn:4:214276:224269,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cn(C(=O)OC(C)(C)C)c5cnccc45)cnc3[nH]2)CC1,HGXQXMWFKBWBGL-UHFFFAOYSA-N
rxn:4:214304:228595,CCc1ncc(C)cc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,ZFCOCJZJZMNMRS-UHFFFAOYSA-N
rxn:4:214304:228786,COc1cccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1Cl,JLTSXVHWGRVTFO-UHFFFAOYSA-N
rxn:4:214304:228805,CSc1cccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1F,WSQXJOVDVSVAQK-UHFFFAOYSA-N
rxn:4:214320:223506,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,NANSHYDFVIXPDQ-UHFFFAOYSA-N
rxn:4:214320:223581,COC(=O)c1cccc2cc(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)CC5)c4c3)n(C(=O)OC(C)(C)C)c12,KPJUHVGBHUEASH-UHFFFAOYSA-N
rxn:4:214320:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1,DIJTURHWBRFODB-UHFFFAOYSA-N
rxn:4:214321:225233,CC1CCCN(c2cc(-c3ccc4c(c3)ncn4C3CCCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)C1,FXEWTLQFPHEPIB-UHFFFAOYSA-N
rxn:4:214390:225008,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCC(OC)CC5)cc4)ccc2OC32CCN(C(C)=O)CC2)cc1,SYCPSRQBUVCQPC-UHFFFAOYSA-N
rxn:4:214395:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2nc(SCC(=O)c3ccc(F)cc3)n3c4ccccc4nc3c2c1,JQOOATLHGLWKQL-UHFFFAOYSA-N
rxn:4:214630:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c2Cl)CC1,VJXDAOFNWRLGHP-UHFFFAOYSA-N
rxn:4:214705:225324,CC(C)CCn1cc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)c(C(F)(F)F)n1,QIUPGYWIFKFVKS-UHFFFAOYSA-N
rxn:4:214706:224820,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)C1,ZJHKAVXTYAVDFH-UHFFFAOYSA-N
rxn:4:214711:224379,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C)CC3)cn2)CC1,UPMJMCBHJITLCV-UHFFFAOYSA-N
rxn:4:214734:223810,Cc1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,BOABYAVKMHUFKG-UHFFFAOYSA-N
rxn:4:214734:225982,O=S(=O)(C1CC1)N1CCN(c2ncc(-c3cnc(N4CCOCC4)cc3F)cc2Cl)CC1,PIDMFJHCVFXNID-UHFFFAOYSA-N
rxn:4:214753:223897,Cc1ccc(-c2cnc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)cc1OCCCN1CCOCC1,DLLGMPVAHGYVBF-UHFFFAOYSA-N
rxn:4:214760:223671,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,RWRLCKIAWPKYEM-UHFFFAOYSA-N
rxn:4:214766:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,NZCFKZUUIDVLJT-UHFFFAOYSA-N
rxn:4:214772:223696,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,ZCKQFQPEUYCAPA-UHFFFAOYSA-N
rxn:4:214829:226236,CCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,LRYJGAUBQCGQFX-UHFFFAOYSA-N
rxn:4:214830:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,PFSAGHHEZFSGBQ-UHFFFAOYSA-N
rxn:4:214837:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,RNWUBELKNFBWKE-UHFFFAOYSA-N
rxn:4:214838:227218,O=C(C1CN(c2ncc(-c3ccccc3OCCCF)cc2F)CCO1)N1CCOCC1,LUEDQAFZFBWXAI-UHFFFAOYSA-N
rxn:4:214839:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,SWFZWNNMMBCVFL-UHFFFAOYSA-N
rxn:4:214853:222849,N#Cc1cc(-c2cccc(N3CCN(C4CCCC4)CC3)c2C#N)ccc1C1CCNCC1,PZIWYZGVAOEUKR-UHFFFAOYSA-N
rxn:4:214857:223480,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4ccn(C)n4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OFQHWFRFGZOJOL-UHFFFAOYSA-N
rxn:4:214865:222869,CC(C)CNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,VWJLWFCTPHBNPV-UHFFFAOYSA-N
rxn:4:214866:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,WSDHAAVQWZZABC-UHFFFAOYSA-N
rxn:4:214866:226649,O=C(C1CCCN(c2ccc(-c3cccnc3N3CCOCC3)cn2)C1)N1CCOCC1,PDMYULKXLUWZFJ-UHFFFAOYSA-N
rxn:4:214867:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,CNYGOZLLCCXUEL-UHFFFAOYSA-N
rxn:4:214870:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)ccn2)CC1,CPVWWEWOUORNDL-UHFFFAOYSA-N
rxn:4:214872:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,GMNGCFUAIBPAIU-UHFFFAOYSA-N
rxn:4:214873:227252,CCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,QSXATLMTBIWRNV-UHFFFAOYSA-N
rxn:4:214875:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,AFWBEAMQGUZTGP-UHFFFAOYSA-N
rxn:4:214885:228062,O=C(C1CCN(c2ncc(-c3cncc4c3CCCO4)cc2Cl)CC1)N1CCC(F)(F)CC1,BLUAAGCLBRYNSQ-UHFFFAOYSA-N
rxn:4:214889:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCC4)c3)cc2)CC1,SDLBJZFJWVIWMF-MCZWQBSQSA-N
rxn:4:214889:225001,CN1CCN(Cc2ccc(-c3ccc(CN4CCCC(F)C4)cc3)cc2N2CCCC2)CC1,RROSTMIBXWUMLN-UHFFFAOYSA-N
rxn:4:214979:223606,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cnn2c1C,WFKASQVAJUBHLJ-UHFFFAOYSA-N
rxn:4:215019:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc4cnn(C(=O)OC(C)(C)C)c34)cc2Cl)CC1,VTHJXOOOIFIJJL-UHFFFAOYSA-N
rxn:4:215056:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)cc2)CC1,UOHBIGPDQPPMBP-UHFFFAOYSA-N
rxn:4:215056:225295,O=C1CCCN2N=C(SCc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)SC2=N1,LWUCDHFJXXWZDI-UHFFFAOYSA-N
rxn:4:215058:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)c(Cl)cn1,KYIUSQHMOPXLCD-UHFFFAOYSA-N
rxn:4:215058:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2C1,HPWFERLZBDXSMZ-UHFFFAOYSA-N
rxn:4:215065:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,CQWGLYOPLNAZHX-UHFFFAOYSA-N
rxn:4:215096:224355,CC1c2cnc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)n2CCN1C(=O)OC(C)(C)C,UEXFSVHLXXCSNG-UHFFFAOYSA-N
rxn:4:215100:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2F)CC1,UONDRJJXJZZCSG-UHFFFAOYSA-N
rxn:4:215106:225232,Cc1nn2c(c1-c1cnc(Cl)c(N3CCC(C)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,QJGDXTGKVBKNPG-UHFFFAOYSA-N
rxn:4:215107:225231,CC1CCCCN1c1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cnc1Cl,ZOAWSZLKVCNICS-UHFFFAOYSA-N
rxn:4:215146:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(-n2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)ccc1C#N,ULWYLOKVPNWOPY-UHFFFAOYSA-N
rxn:4:215146:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(-n3nc(C(F)(F)F)c4c3CC(C)(C)CC4=O)ccc2C#N)c(F)c1,ZRMBUZJREGZZQG-UHFFFAOYSA-N
rxn:4:215148:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2,GIYRYBLMNNCXHP-UHFFFAOYSA-N
rxn:4:215148:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2,QRKUFMBFQCRSHC-UHFFFAOYSA-N
rxn:4:215201:226172,Cc1ccc(N2CCCC2)cc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,OFEPURWZDVMEIK-UHFFFAOYSA-N
rxn:4:215214:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)c(Cl)c1,GHZAUYPFLHMKFZ-UHFFFAOYSA-N
rxn:4:215214:223084,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cnc(N5CCC(O)CC5)nc4)n3C2)C1,XELMKMORVNONTR-UHFFFAOYSA-N
rxn:4:215214:223790,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)n3C2)C1,OYUJGIYGXCUCPS-UHFFFAOYSA-N
rxn:4:215309:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,OTBAHUPLUNRYLR-VWLOTQADSA-N
rxn:4:215823:223823,COc1nc(N2CCCCC2)ncc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,PRIDERDSEVAGEE-UHFFFAOYSA-N
rxn:4:215848:223695,CS(=O)(=O)N1CCC(n2cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,NJRXQLKSELKMTE-UHFFFAOYSA-N
rxn:4:215897:223999,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,AOFWEIOWNDPCRP-UHFFFAOYSA-N
rxn:4:215897:224326,Cc1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)ccc1S(=O)(=O)N1CCCCC1,JFYDVOJYTLNOMC-UHFFFAOYSA-N
rxn:4:215898:224416,CS(=O)(=O)N1CCC(c2cnc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cn2)CC1,RXAVFDJWUWCOFC-UHFFFAOYSA-N
rxn:4:215899:224395,CS(=O)(=O)N1CCCC(c2cnc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)C1,GFUVCMQCDZXHJR-UHFFFAOYSA-N
rxn:4:215899:224407,CS(=O)(=O)N1CCCC(c2cnc(-c3cccc(S(=O)(=O)N4CCC(F)(F)C4)c3)cn2)C1,JFQYCSAKJVRZQW-UHFFFAOYSA-N
rxn:4:215912:223835,Cc1cc(F)c(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(C)CC1,RONQMCMRFKFKFD-UHFFFAOYSA-N
rxn:4:215935:223928,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,KMPISISFMXCHKK-UHFFFAOYSA-N
rxn:4:215956:223894,CN1CCN(CCCOc2cccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c2)CC1,MEEJUXSBYDKYFG-UHFFFAOYSA-N
rxn:4:215970:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(SC)nc1N1CCC2(CC1)OCCO2,VCYTVCXYFJIKSE-UHFFFAOYSA-N
rxn:4:215970:222856,COc1ccc(C2CCNCC2)cc1-c1cnc(SC)nc1N1CCC2(CC1)OCCO2,NRAHENJTIFDTFW-UHFFFAOYSA-N
rxn:4:215979:224396,Cc1cc(-c2cc(N3CCCCC3C)nc(C(C)C)n2)ccc1S(=O)(=O)N1CCOCC1,YXZFMMRDCVYTSD-UHFFFAOYSA-N
rxn:4:216089:222524,COC(=O)C1CCn2c(nnc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)C1,UFMRQIGMMIJMBF-UHFFFAOYSA-N
rxn:4:216252:223845,CC(=O)N1CCc2c(c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)nn2C2CCOCC2)C1,XDGAMKOMOBPBMD-UHFFFAOYSA-N
rxn:4:216252:224756,CC(=O)N1CCc2c(c(-c3cc(F)ccc3C(=O)N3CCOCC3)nn2C2CCOCC2)C1,BRMLVLMSZDANNF-UHFFFAOYSA-N
rxn:4:216252:225875,CC(=O)N1CCc2c(c(-c3ccc(N4CCOCC4)cc3Cl)nn2C2CCOCC2)C1,LOSXIMXDYFNBMC-UHFFFAOYSA-N
rxn:4:216252:226428,CC(=O)N1CCc2c(c(-c3cc(N4CCCCC4C)cs3)nn2C2CCOCC2)C1,JFGIADCRJKKVHD-UHFFFAOYSA-N
rxn:4:216319:226837,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4c(C)nn(CC(F)(F)F)c4C)ccc3S2(=O)=O)n1,QYCJCJUENDZMQK-UHFFFAOYSA-N
rxn:4:216601:223506,Cn1nnc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C1CC1,FJIQVCJGGBYRFK-UHFFFAOYSA-N
rxn:4:216785:223492,Cc1cc(-c2nnc(C)n2C2COC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UAYRDZSGJABDEH-UHFFFAOYSA-N
rxn:4:217086:223697,O=S(=O)(c1ccc(-c2cnc(N3CCOCC3)nc2Cl)c(C(F)(F)F)c1)N1CCCCC1,ZWXIRNBEDTWHLA-UHFFFAOYSA-N
rxn:4:217204:223695,Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(N2CCC(C)CC2)n1,UHVRVJWFTZTSBM-UHFFFAOYSA-N
rxn:4:217860:222439,CC(C)N1CCc2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)nn2CC1=O,WOGNMBFYYDZZPL-UHFFFAOYSA-N
rxn:4:218478:223480,Cc1cc(-c2cc3c(C)n(C)nc3cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LOEWVTJXDRLQJZ-UHFFFAOYSA-N
rxn:4:218615:222624,CC(C)Cc1cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)C3)cn2)cc(C2CCNCC2)n1,UYTALIPYZGJASF-UHFFFAOYSA-N
rxn:4:218618:224759,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1cc(F)cc(C(=O)N2CCOCC2)c1,WEYDVQCDFRANML-UHFFFAOYSA-N
rxn:4:218655:223659,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,GHKKDTMPTNWWIL-UHFFFAOYSA-N
rxn:4:218666:222546,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)C2)nn1,AOJPSRGHRFLEDO-UHFFFAOYSA-N
rxn:4:218681:226277,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCC(C)(C)C)nc4)cn3)CC2)CC1,QFTRMWPOSUCYFF-UHFFFAOYSA-N
rxn:4:218684:224162,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)c3)ccc2C#N)CC1,CZWYDAJKBYJCHE-UHFFFAOYSA-N
rxn:4:218695:223201,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccccc4C4CCNC4)c3C)CC2)cc1,YKCOSGJWBWDVRT-UHFFFAOYSA-N
rxn:4:218696:223055,Cc1nc(N2CCNCC2)ccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C,LNPLQBRMMXRBGP-UHFFFAOYSA-N
rxn:4:218706:223062,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cnc(C5CCNCC5)cc4F)c3C)CC2)cc1C,DERBTVPTODRIKA-UHFFFAOYSA-N
rxn:4:218709:225977,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4)n[nH]3)CC2)c1,INIXEVDGEMLIJN-UHFFFAOYSA-N
rxn:4:218709:225984,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(Cl)c(N6CCOCC6)c5)cc4)n[nH]3)CC2)c1,PYWHQDAGYYTJJA-UHFFFAOYSA-N
rxn:4:218825:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CCN(C(=O)OCC)CC3)c(F)c2)CC1,SVAPYENEYDILLS-HZCBDIJESA-N
rxn:4:218825:223754,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)CC1,LNNUXPSQCUZAHY-UHFFFAOYSA-N
rxn:4:218825:223901,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)CC1,YQOOHXOHCZHJGX-UHFFFAOYSA-N
rxn:4:218825:223902,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2ccc(OCCN3CCC(C)CC3)c(F)c2)CC1,XGQAJDSPGDATQG-UHFFFAOYSA-N
rxn:4:218825:225218,CCOC(=O)N1CCN(c2nc(SC)ncc2-c2cnc(N3CCCC(C)C3)c(Cl)c2)CC1,KCJBMQAKYOHUGI-UHFFFAOYSA-N
rxn:4:218831:222634,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,DCQNEYFNVXLHDY-UHFFFAOYSA-N
rxn:4:218886:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c(Cl)c2)CC1,GUJNBFFSSBKASE-UHFFFAOYSA-N
rxn:4:218898:222584,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,HVIDPCQOWZTCLE-UHFFFAOYSA-N
rxn:4:218971:222584,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)s1,ABPOZXBCQKOPMQ-UHFFFAOYSA-N
rxn:4:218972:225898,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)s1,SOURGOGAKIFONV-UHFFFAOYSA-N
rxn:4:218974:223532,Cc1cc(OCC2CCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3C#N)CC2)ccn1,GJECVSOLJFCPOB-UHFFFAOYSA-N
rxn:4:218975:224704,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2C#N)CC1,NDYYHIKQXPGGHE-UHFFFAOYSA-N
rxn:4:219000:222389,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,QVPLEEPHXOAKSP-UHFFFAOYSA-N
rxn:4:219012:227212,CCCCOc1ncccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,JHLDPZOJEIJPNX-UHFFFAOYSA-N
rxn:4:219033:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc2)CC1,YCLHAZPASQJDFI-UHFFFAOYSA-N
rxn:4:219033:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,IKRYZMPMZMRRCA-UHFFFAOYSA-N
rxn:4:219046:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,QMEVCTVXQONNOI-UHFFFAOYSA-N
rxn:4:219046:225172,O=C1C(N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)CCN1C1CC1,IPRRQJCMUXMNOQ-UHFFFAOYSA-N
rxn:4:219046:227766,CCn1nc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,VKWYWXIWLNWJTM-UHFFFAOYSA-N
rxn:4:219047:223884,COc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,YDUNQXRNRRNZDL-UHFFFAOYSA-N
rxn:4:219051:223593,CN(c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,QUZNAOFVRWFDDD-UHFFFAOYSA-N
rxn:4:219053:223059,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4Cl)c3)cn2)CC1,VZYLQNPPVZOZNS-UHFFFAOYSA-N
rxn:4:219053:223650,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,NBSDFQVEGLZPRC-UHFFFAOYSA-N
rxn:4:219120:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2Cl)CC1,CKMLCEMHKSROPE-UHFFFAOYSA-N
rxn:4:219128:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)C1,ZYOCUZPSWJZBLT-UHFFFAOYSA-N
rxn:4:219135:222409,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(S(N)(=O)=O)c5)c4)C3C2=O)cc1,NZQOBGHROKSFMD-UHFFFAOYSA-N
rxn:4:219135:223150,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccnc(NCCN(C)C)c5)c4)C3C2=O)cc1,BISVHKWEAHMDBP-UHFFFAOYSA-N
rxn:4:219135:226014,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)OC)ccc5OC)c4)C3C2=O)cc1,ISCKZSDRAGUPFV-UHFFFAOYSA-N
rxn:4:219214:223697,CC(C)CCn1nc([N+](=O)[O-])nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,RPTDPNXVEFVBDU-UHFFFAOYSA-N
rxn:4:219312:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c2)CC1,NRUWPTZYTDOTBQ-UHFFFAOYSA-N
rxn:4:219334:226000,CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1[N+](=O)[O-],CRTKIPIXJGPWBJ-UHFFFAOYSA-N
rxn:4:219334:226652,Cc1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)n(C2CCCCO2)n1,GBYXAWQAOFGHKN-UHFFFAOYSA-N
rxn:4:219338:225145,CN(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)c(C#N)c3)cn2)CC1,SZYFCFZQYHMHIN-UHFFFAOYSA-N
rxn:4:219360:223728,CCCCCC1CCC(c2ccc(-c3cccnc3OC3CCN(C(=O)c4snnc4C)CC3)c(F)c2)CC1,XSGWZBZYONXFON-UHFFFAOYSA-N
rxn:4:219369:224770,Cc1cc(-c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2C)cc(S(=O)(=O)N2CCCC2)c1,RNNOAARUSCQUPX-LJQANCHMSA-N
rxn:4:219370:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1,PJHGIIVYFGRYMD-UHFFFAOYSA-N
rxn:4:219370:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2F)C1,OZHZPMYHJZOVHF-UHFFFAOYSA-N
rxn:4:219371:225806,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cnc(OC3CCCC3)cc2F)CC1,LPDVOGFACYWTJX-UHFFFAOYSA-N
rxn:4:219372:223637,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)CC1,FHOBWFXQQJDOBY-UHFFFAOYSA-N
rxn:4:219372:223649,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,AZCXTBBCLDOASE-UHFFFAOYSA-N
rxn:4:219374:225639,CC1CCN(c2ncccc2-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1,QTQWSHLVXYDOCW-UHFFFAOYSA-N
rxn:4:219401:226425,CC1CCCCN1c1ccc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)s1,YHTGHJFZMLKDFU-UHFFFAOYSA-N
rxn:4:219402:223945,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GSBJVYCQEZLDAG-UHFFFAOYSA-N
rxn:4:219403:226494,CCN(CC)c1ncc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(C)n1,ZEYZIKUCBKPARF-UHFFFAOYSA-N
rxn:4:219406:222891,COc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C2CCNCC2)n1,OFQOMPTVKXTCNT-UHFFFAOYSA-N
rxn:4:219406:225881,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C4CCOCC4)nc3F)n2)CC1,JDGSRRXVEBWMDM-UHFFFAOYSA-N
rxn:4:219410:223252,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncc(-c3cc(F)c4c(c3)NCCO4)cn2)C1,LPCGDFQZYZQTIV-UHFFFAOYSA-N
rxn:4:219410:227766,CCn1nc(C(F)(F)F)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,DCUZXMVCFFYKQP-UHFFFAOYSA-N
rxn:4:219414:222849,N#Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)ccc1C1CCNCC1,AAQCLCHYBQWHDT-UHFFFAOYSA-N
rxn:4:219451:222847,Cn1cc(-c2cc(C#N)cc(C3CCCNC3)c2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,RDIXOSXDFFTCEV-UHFFFAOYSA-N
rxn:4:219451:222886,Cn1cc(-c2ccc(N3CCNCC3)cc2C#N)c(C(=O)N2CCCN(CC3CC3)CC2)n1,QSHKKOZNLRORFX-UHFFFAOYSA-N
rxn:4:219451:224572,CC1CCCN(c2ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)c(C#N)c2)C1,ZROCTARNKMNZEF-UHFFFAOYSA-N
rxn:4:219452:225597,Cc1nc(-c2ccc(OC3CCCCC3)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,FQLHJONUGBCGLV-UHFFFAOYSA-N
rxn:4:219452:226571,Cc1nc(-c2cnn(CC3CCOCC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,RNPQKJOYPACWDE-UHFFFAOYSA-N
rxn:4:219453:226659,CC(C)N1CCC(N2CC(Cn3cc(-c4cnc(N5CCCC5)c(Cl)c4)cn3)C2)C1=O,JCKRDILCVBOHRB-UHFFFAOYSA-N
rxn:4:219455:227403,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(N3CCCCC3)s2)n[nH]1,RJPPGVBGVYUEFP-UHFFFAOYSA-N
rxn:4:219456:223638,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)n1,VFLVHYGYOHDOBX-UHFFFAOYSA-N
rxn:4:219456:223774,COc1cccc2c1cc(-c1cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n1)n2C(=O)OC(C)(C)C,JEORMZMLJSYXBE-UHFFFAOYSA-N
rxn:4:219456:224279,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)n1,VSHLGDHVGMGRDC-UHFFFAOYSA-N
rxn:4:219456:225613,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccnc(OC3CCCCC3)c2)n1,GMLRUDVOILOUKX-UHFFFAOYSA-N
rxn:4:219456:227390,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccnn2C2CCCCC2)n1,UHUQPEIZZGMDLW-UHFFFAOYSA-N
rxn:4:219462:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,UQMFABWKPBNMSR-UHFFFAOYSA-N
rxn:4:219463:223533,Cc1cc(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)ccn1,JZTFLBURQYBHIG-UHFFFAOYSA-N
rxn:4:219464:223595,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,WIYIYHMCEWLSKZ-UHFFFAOYSA-N
rxn:4:219465:223532,Cc1cc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccn1,LZEIHQRHLVSVPI-UHFFFAOYSA-N
rxn:4:219471:222546,CSc1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,FBCJXJQNXOIHHI-UHFFFAOYSA-N
rxn:4:219471:226236,CCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,WNJJECLQGSVDDT-UHFFFAOYSA-N
rxn:4:219477:222612,O=C(c1ccccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,AQAUSPYMZMMMRT-UHFFFAOYSA-N
rxn:4:219477:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c1,PHWMNSNCYWLNAI-UHFFFAOYSA-N
rxn:4:219489:224736,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(F)(F)F)cc1OCC(C)C,XREHENNYVIRGPV-UHFFFAOYSA-N
rxn:4:219489:225832,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1c(C)nn(C2CCCCO2)c1C,SDUOEUZWWKBNRF-UHFFFAOYSA-N
rxn:4:219489:225852,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C2CCCCC2)nc1Cl,FZJAFPGHZPOHDE-UHFFFAOYSA-N
rxn:4:219497:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(C#N)c1,PJGMBEUPWBYQIV-UHFFFAOYSA-N
rxn:4:219499:222886,N#Cc1cc(N2CCNCC2)ccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C#N)c1,GUYKYFNKXWHFKD-UHFFFAOYSA-N
rxn:4:219500:222849,N#Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)ccc1C1CCNCC1,ZGLHUMLTWAFMQU-UHFFFAOYSA-N
rxn:4:219500:222850,N#Cc1ccc(C2CCNCC2)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C#N)c1,MJNCMZFCCCDHRS-UHFFFAOYSA-N
rxn:4:219500:224064,CC1CCCCN1c1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc(C2CC2)c1,ITLBOTUEVSMPKK-UHFFFAOYSA-N
rxn:4:219500:224155,CN1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C#N)c3)cc(C3CC3)c2)CC1,ZJVNIFUJNASUHR-UHFFFAOYSA-N
rxn:4:219500:227489,CN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1C#N,IGOAXMKKUOAXSB-UHFFFAOYSA-N
rxn:4:219501:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,PDLWBXWDGSMEJF-UHFFFAOYSA-N
rxn:4:219508:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)c2)CC1,HVDFZBOADUGHSZ-UHFFFAOYSA-N
rxn:4:219508:224760,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc(C(F)(F)F)n1,NNINBRLEKLICNJ-UHFFFAOYSA-N
rxn:4:219515:226686,Cc1cnn(C2CCCCO2)c1-c1nnc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1,GFFNLIIMLXEDFE-UHFFFAOYSA-N
rxn:4:219533:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DDFDVEHPCUMTHH-UHFFFAOYSA-N
rxn:4:219533:224015,CSc1ncc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,LNTICNDUWJZCLW-UHFFFAOYSA-N
rxn:4:219534:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,XHXZVZJYEBPZEZ-UHFFFAOYSA-N
rxn:4:219551:225849,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(N5CCCCC5)cc4F)cn3)CC2)C1=O,ORPPTCRAOHOGKU-UHFFFAOYSA-N
rxn:4:219560:222629,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)CC2)cn1C,YCEGQNCXRLPQJJ-UHFFFAOYSA-N
rxn:4:219560:223508,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)CC2)cn1C,PTUTUYCZBIAGTO-UHFFFAOYSA-N
rxn:4:219569:228003,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2c(C)cc(SC)cc2C)cc1[N+](=O)[O-],AAXXICJSUMSPDJ-UHFFFAOYSA-N
rxn:4:219653:222584,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)nc3s2)CC1,GCGJZEHLELNECF-UHFFFAOYSA-N
rxn:4:219653:222929,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)nc3s2)CC1,WXFKDMJGYKTFIN-UHFFFAOYSA-N
rxn:4:219687:223491,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cc32)CC1,DSUIJYQWFFMXOD-UHFFFAOYSA-N
rxn:4:219687:225984,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)CC1,NRIMOHYUSSHLSI-UHFFFAOYSA-N
rxn:4:219689:226714,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccnn4C(=O)OC(C)(C)C)n3c2)CC1,ZRLQOSDYPIACCX-UHFFFAOYSA-N
rxn:4:219692:224161,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c3cnc(Cl)nc32)CC1,BKCNAYPCKZXHCF-UHFFFAOYSA-N
rxn:4:219696:224009,COc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc5ccccc5n4C)CC3)o2)cc1S(=O)(=O)N1CCOCC1,WIASDBFKBPVYIR-UHFFFAOYSA-N
rxn:4:219706:224974,CN1CCN(Cc2ccccc2-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)CC1,RZDZXIQHFLTVIK-UHFFFAOYSA-N
rxn:4:219750:226766,COc1ccc(-c2cc(C)ccc2OC(F)(F)F)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,FRLUKKJBIQNXAE-UHFFFAOYSA-N
rxn:4:219817:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3nc(C(F)(F)c4ncc(C(F)(F)F)cc4Cl)n[nH]3)c2)CC1,GTJWNAMRPKNXGT-UHFFFAOYSA-N
rxn:4:219862:223489,Cc1cc(OC2CN(c3ncc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cn3)C2)ccn1,QHKIUXZKDUOJOU-UHFFFAOYSA-N
rxn:4:219876:223945,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,NGMXWNLUKLEIHV-UHFFFAOYSA-N
rxn:4:219880:224408,CSc1ncc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,FSRKWJZECAXBBD-UHFFFAOYSA-N
rxn:4:219880:225313,CSc1ncc(-c2ccc(N3CCN(C)CC3)nc2F)c(N2CCN(S(C)(=O)=O)CC2)n1,SHBSJXTZRMEPOT-UHFFFAOYSA-N
rxn:4:219904:222699,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)CC1,UGWSOMGWBPAUCZ-UHFFFAOYSA-N
rxn:4:219904:222846,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cc(C4CCCNC4)ccc3C#N)cn2)CC1,BGKYADJTDSVDAK-UHFFFAOYSA-N
rxn:4:219905:224572,CC1CCCN(c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)c(C#N)c3)c(C#N)c2)C1,WZUVNBWSMMKDQN-UHFFFAOYSA-N
rxn:4:219931:226831,CCCn1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c(C(F)(F)F)n1,CCBFZOFKJMJIFZ-UHFFFAOYSA-N
rxn:4:219934:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)ccn2)CC1,WLHUUEPIUCYYAL-UHFFFAOYSA-N
rxn:4:219950:222926,CSc1ncc(-c2cnc(N3CCCC(O)C3)nc2C)c(N2CCN(C3CCC3)CC2)n1,RPANGRZRYNDLMO-UHFFFAOYSA-N
rxn:4:219955:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,OQTXJBZZRHUJCI-UHFFFAOYSA-N
rxn:4:219955:223974,CC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(C(F)(F)F)c2)CC1,SCIUSJUSRFBXPB-UHFFFAOYSA-N
rxn:4:219959:222634,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CCO1)N1CCOCC1,AWXYXSCQHVSWEZ-UHFFFAOYSA-N
rxn:4:219959:222721,O=C(C1CN(c2ncc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)cn2)CCO1)N1CCOCC1,VEXZNJABDNRRSA-UHFFFAOYSA-N
rxn:4:219959:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,OIFWHEUWBLKITH-UHFFFAOYSA-N
rxn:4:219975:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,UBGSDFNPUWDBEW-RSSXGHEXSA-N
rxn:4:219981:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)nc3)cc(F)c2F)CC1,MFRDFBXBJUOGHI-UHFFFAOYSA-N
rxn:4:219988:223520,CC(c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FCTNDZAOCKYNCJ-UHFFFAOYSA-N
rxn:4:220018:223811,COCC(=O)N1CCn2nc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)nc2C1,JRFYUNRPBKKIGQ-UHFFFAOYSA-N
rxn:4:220039:224337,CC(C)(C)OC(=O)N1CCc2nnc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)n2C1,GYZBXDBVOZJYKM-UHFFFAOYSA-N
rxn:4:220039:224351,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)n2C1,QTOZYHJRWWKBMJ-UHFFFAOYSA-N
rxn:4:220039:224584,CC1CCN(C(=O)c2cccc(-c3nnc4n3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,DNFHASZBVAYIBU-UHFFFAOYSA-N
rxn:4:220069:222782,Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cnc1NC(=O)OC(C)(C)C,ZXUWIACCOLSTIX-UHFFFAOYSA-N
rxn:4:220069:222947,CC(C)(C)OC(=O)N1CCc2nnc(-c3cnc(N4CCCC(O)C4)nc3Cl)n2CC1,PIRQXYCKFZVUJI-UHFFFAOYSA-N
rxn:4:220069:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,FXYLZWDLYNTZLD-UHFFFAOYSA-N
rxn:4:220069:225227,CC1CCN(c2ncc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,KKYGXDQENGYONI-UHFFFAOYSA-N
rxn:4:220069:225233,CC1CCCN(c2cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cnc2Cl)C1,RZNYOANOSNPULT-UHFFFAOYSA-N
rxn:4:220070:224425,CCCC1CCC(c2ccccc2-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)CC1,BWWNUHIFXXVJLM-UHFFFAOYSA-N
rxn:4:220209:225946,CC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C(F)(F)F)c1,SUPBDQMLKULEPK-UHFFFAOYSA-N
rxn:4:220257:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)nn3c(C)c(CC(=O)N5CCOCC5)c(C)nc43)c2)CC1,JSQJHSAAQRJGNT-UHFFFAOYSA-N
rxn:4:220414:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(N2CCN(C)CC2)c([N+](=O)[O-])c1C,KXCSISMJUSIZTF-UHFFFAOYSA-N
rxn:4:220537:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(C4CCC4)CC3)ncc2c1,QHGSJGRGIGNMLI-UHFFFAOYSA-N
rxn:4:220808:223608,Cn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)nc1N1CCCCC1,HANSUVPVFAFZLW-UHFFFAOYSA-N
rxn:4:221105:225361,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)C2)nc1C,SSWOFMZIECBCST-UHFFFAOYSA-N
rxn:4:221107:225877,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)c(=O)c1C,ACSJZHCAEJYSIR-UHFFFAOYSA-N
rxn:4:221112:222957,CCOc1ccc(-c2cc(C)cc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,ATAKYYADFDBOGA-UHFFFAOYSA-N
rxn:4:221112:225880,CCOc1ccc(-c2cc(C3CCOCC3)ncc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,FOSATVCYUPGKTK-UHFFFAOYSA-N
rxn:4:221175:222780,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(C(=O)NCCN(C)C)c4)cn3)C2)C(=O)C1=O,YQWQDEVEFXVDPC-UHFFFAOYSA-N
rxn:4:221180:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c2)CC1,OGJWPGQEIXTEMH-UHFFFAOYSA-N
rxn:4:221181:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)nn1C,JZCNLYNHYODXGG-UHFFFAOYSA-N
rxn:4:221186:222988,Cc1cc(-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)cc(C2CCNCC2)n1,HYICSZLLBDCOCG-UHFFFAOYSA-N
rxn:4:221186:223970,Cc1ccc(-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,RMAPLSVRLLVQQJ-UHFFFAOYSA-N
rxn:4:221191:224376,Cc1cc(N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cn3)C2)nc(C2CC2)n1,QYFPWLOFWVNMET-UHFFFAOYSA-N
rxn:4:221196:222546,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cnn1-c1ccccc1,RYZXJXZZLYQCKI-UHFFFAOYSA-N
rxn:4:221198:224018,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cn3)CC2)nn1,DXSXTUHCWSSNLN-UHFFFAOYSA-N
rxn:4:221203:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)c(F)c2)CC1,CYBVPABUMLYFSC-UHFFFAOYSA-N
rxn:4:221203:224819,O=S(=O)(c1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1)N1CCOCC1,KGOKQMRJZGBTPL-UHFFFAOYSA-N
rxn:4:221205:222988,Cc1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,BTFHMNWRCFGSQR-UHFFFAOYSA-N
rxn:4:221205:224759,O=C(c1cc(F)cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1)N1CCOCC1,VCJGZWVJGWKJBP-UHFFFAOYSA-N
rxn:4:221205:224810,FC(F)(F)c1cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cnc1N1CCCC1,YSWBGZIQNXPLCQ-UHFFFAOYSA-N
rxn:4:221209:223602,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)n1,DMYYMSHEPVRJQU-UHFFFAOYSA-N
rxn:4:221209:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,NJOYOININAUSCP-UHFFFAOYSA-N
rxn:4:221227:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)c2)CC1,BQAUZACJROAIJZ-UHFFFAOYSA-N
rxn:4:221232:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,ZAFODOULALUQFO-UHFFFAOYSA-N
rxn:4:221240:224759,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCC2,HEHBSIJRWAUBLK-UHFFFAOYSA-N
rxn:4:221249:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c(Cl)cn1,AQXNQORCRZKPMS-UHFFFAOYSA-N
rxn:4:221272:222948,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,IOXUZUJOPYXMEP-UHFFFAOYSA-N
rxn:4:221351:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)c(Cl)c1,ORPRDNRASMDHSB-UHFFFAOYSA-N
rxn:4:221369:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)cc2F)CC1,WYHAFZKAYFTDNE-UHFFFAOYSA-N
rxn:4:221387:223532,Cc1ncnc(OCC2CCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,ASHRVSORKFFQGI-UHFFFAOYSA-N
rxn:4:221389:222584,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1C,MUECXYUNPAAQPU-UHFFFAOYSA-N
rxn:4:221392:223776,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cn3)CC2)n1,KHEOZGUBCCYGHQ-UHFFFAOYSA-N
rxn:4:221392:223885,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cn3)CC2)n1,WNLBDODCTBDQPB-UHFFFAOYSA-N
rxn:4:221407:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(c5ccc(N(C)C)nn5)CC4)cc3)cc2)CC1,GSMFTYIPRVMRMD-UHFFFAOYSA-N
rxn:4:221412:223928,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cn3)CC2)n1,MCCLYJPBWUBWHW-UHFFFAOYSA-N
rxn:4:221419:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,PHZNRDOFMAJGFO-UHFFFAOYSA-N
rxn:4:221425:222960,Cc1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc(C2CCNCC2)c1,WPSNNZHJUNHPQC-UHFFFAOYSA-N
rxn:4:221432:222695,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)c3)CC2)n1,AVZYXNQZVVPJID-UHFFFAOYSA-N
rxn:4:221441:224756,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cc(F)ccc4C(=O)N4CCOCC4)c3)CC2)n1,GJULYNUCCSXZDO-UHFFFAOYSA-N
rxn:4:221451:222997,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(Cl)cc3C3CCCNC3)CC2)n1,XRPHCPFGMLCAPQ-UHFFFAOYSA-N
rxn:4:221520:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(COc5cc6c(nn5)CCCC6)CC4)nc3)cc2)CC1,NJUYSZYFGXKHHS-DUYHBEBVSA-N
rxn:4:221522:223670,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cccnc5N5CCN(C(=O)OC(C)(C)C)CC5)cn4)CC3)cnc2c1,FHFDWRHPVYSHOV-UHFFFAOYSA-N
rxn:4:221539:226025,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(OC4CCOC4)nc3Cl)cc2)CC(C)O1,ZSUBZBMHMJJRRX-UHFFFAOYSA-N
rxn:4:221564:225176,CCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(CN4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,KWWRYEYERKNNAX-UHFFFAOYSA-N
rxn:4:221641:222546,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,JNKMIKWNFROOIU-UHFFFAOYSA-N
rxn:4:221642:228194,Cc1nn(C(C)C)c(C)c1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,CXGHNNLNIKRELY-UHFFFAOYSA-N
rxn:4:221723:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)ccc2F)CC1,KSEZQSUUQRAURZ-UHFFFAOYSA-N
rxn:4:221730:223532,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,CVJBKAGAGCGVJX-UHFFFAOYSA-N
rxn:4:221731:224665,CN1CCN(Cc2cc(F)ccc2-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)CC1,LKKQRSAXBCADBL-UHFFFAOYSA-N
rxn:4:221853:223540,CCn1c(=O)c2c(nc3n(-c4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc4)c(C)c(C)n23)n(C)c1=O,SRECOPHTQQJEKJ-UHFFFAOYSA-N
rxn:4:221961:223812,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nc2)cn1,LHXJIXSJGSPNCI-UHFFFAOYSA-N
rxn:4:221971:224398,Cc1cc(F)c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cc1S(=O)(=O)N1CCCC1,ALNXFIRPJCMNHJ-UHFFFAOYSA-N
rxn:4:221971:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(OCC2CCN(Cc3nnc4n3CCC4)CC2)nc1,CQWCJRCWAIXBOJ-UHFFFAOYSA-N
rxn:4:221972:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c1,LBDJYWMXRRFDLG-UHFFFAOYSA-N
rxn:4:221980:225172,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)sc3n2)CC1,DFXSWFPPXWPEKZ-UHFFFAOYSA-N
rxn:4:221985:223059,Cn1cc(-c2nc3cnc(-c4ccc(N5CCNCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GPGSPRDLXHRVCM-JOCHJYFZSA-N
rxn:4:222009:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c2)CC1,NFKZYZZMTRYHCO-UHFFFAOYSA-N
rxn:4:222031:222621,CC(C)Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)cc(C2CCCNC2)n1,UWAJFZFYKTZVDJ-UHFFFAOYSA-N
rxn:4:222031:223521,CC(c1cccc(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccnc(N(C)C)n3)CC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HREPKHGSGRNZFG-UHFFFAOYSA-N
rxn:4:222039:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(-n2cnnn2)c(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c1,LFCUAOCEEMYLLT-UHFFFAOYSA-N
rxn:4:222039:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-n2cnnn2)c(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c1,LFCZOTHODAFUND-UHFFFAOYSA-N
rxn:4:222044:224394,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCOCC6)c5)cc4)CC3)nn2)n1,JZHKYUOCXWWCDC-UHFFFAOYSA-N
rxn:4:222046:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc(C)c5CC)CC4)nc3)cc2)CC1,MPEJZHBYYMJXHR-MCZWQBSQSA-N
rxn:4:222069:223743,Cc1nnc(SCCn2c(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)nc3c2c(=O)n(C)c(=O)n3C)s1,JLBXOXWLYHJZBP-UHFFFAOYSA-N
rxn:4:222069:223755,Cc1nnc(SCCn2c(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)nc3c2c(=O)n(C)c(=O)n3C)s1,OGLOKFMJRVGZSK-UHFFFAOYSA-N
rxn:4:222069:223784,CCN1CCN(CCOc2ccc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nnc(C)s3)cc2F)CC1,SWKIYCNEATWHEZ-UHFFFAOYSA-N
rxn:4:222079:222389,Cc1cc(C)nc(SCCn2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)nc3c2c(=O)n(C)c(=O)n3C)n1,XPZXGBZDTRTDLJ-UHFFFAOYSA-N
rxn:4:222079:223651,Cc1cc(C)nc(SCCn2c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)nc3c2c(=O)n(C)c(=O)n3C)n1,YFGMTTGYQGPSHP-UHFFFAOYSA-N
rxn:4:222114:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)CN4CCN(c5ncnc6c(C)nn(C)c56)CC4)c3)cc2)CC1,TUHFCXWRWINHOB-QVYRIUEQSA-N
rxn:4:222155:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5cc(C6CC6)ncn5)CC4)nc3)cc2F)CC1,GEWZBLOKYWURDZ-UHFFFAOYSA-N
rxn:4:222168:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cn2)C1,YLUGURFGDJDYKV-UHFFFAOYSA-N
rxn:4:222168:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2C1,DIRRUFIYNJWSID-UHFFFAOYSA-N
rxn:4:222214:223506,Cc1ccc(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)nn1,MNTXJZAYSXGLMV-UHFFFAOYSA-N
rxn:4:222293:223588,Cc1cc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nncn2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,YRQHQLMGSXZVEL-UHFFFAOYSA-N
rxn:4:222338:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)nc3)cc2F)CC1,COIOQPDYQKJULB-UHFFFAOYSA-N
rxn:4:222367:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,SAWGBXBXDFNKBY-JYEAOAIVSA-N
rxn:4:222393:187156,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)CC2)c1,SFGTUPSQKGVXAL-MEMLXQNLSA-N
rxn:4:222511:176504,O=C(NC1CCCCC1)c1cc(-c2ccc(F)c(CC(=O)C(F)(F)F)c2)cc([N+](=O)[O-])c1,SILNKEVDODCDGF-UHFFFAOYSA-N
rxn:4:222582:189167,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c1,IWDYTAWKCUTTLE-UHFFFAOYSA-N
rxn:4:222693:204418,CCOC(=O)c1c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)nn2c1O[C@H](C)CC2,MYCKWCWLLCFZSD-OAHLLOKOSA-N
rxn:4:222770:186990,O=C(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)cc1Cl,UIMZDNLNCUUMPX-UHFFFAOYSA-N
rxn:4:223590:217035,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nn[nH]c1C1CCCOC1,JLMBOQDPPNNVIW-UHFFFAOYSA-N
rxn:4:223811:174188,CCOC(C)(OCC)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,WEMFXFXWODPMNR-UHFFFAOYSA-N
rxn:5:176862:226571:226835,COC(=O)c1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2cc(C(F)(F)F)nn2C(C)C)c1OC,NRKNLNBAGLVAAP-UHFFFAOYSA-N
rxn:5:176864:225832:227390,COC(=O)c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc(-c2ccnn2C2CCCCC2)c1OC,FYIORIRMUQSMTD-UHFFFAOYSA-N
rxn:5:176864:226426:225652,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)s2)cc(-c2cncc(N3CCCC(C)C3)c2)c1OC,PARYMIRYSPHGPO-UHFFFAOYSA-N
rxn:5:177447:225453:225623,COc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2cccc(OC3CCOCC3)c2)c1OC(C)C,CYVUQNSOPHFVRD-UHFFFAOYSA-N
rxn:5:177447:225499:225451,COc1cc(-c2ccc(C3CCCCC3)cc2F)cc(-c2ccc(SC3CCCCC3)cc2)c1OC(C)C,WXBKKEFZDXOFBI-UHFFFAOYSA-N
rxn:5:177731:226026:226029,CCOc1c(F)c(F)c(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)c2)c(F)c1F,HSZDVMJFAGSJPT-UHFFFAOYSA-N
rxn:5:177733:223138:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)cc(-c2ccnc(N3CCOCC3)c2F)c1,CJSKJASGHBAXFX-UHFFFAOYSA-N
rxn:5:177733:225976:226366,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)cc(-c2ccnc(N3CCOCC3)c2F)c1,MFMHUFBCDKDKJB-UHFFFAOYSA-N
rxn:5:177733:226644:225976,CC(C)(C)OC(=O)c1cc(-c2cncc(N3CCOCC3)c2)cc(-c2ccnc(N3CCOCC3)c2F)c1,LCVQLKNHZQLSON-UHFFFAOYSA-N
rxn:5:177735:225394:225449,Cc1cc(C(=O)OC(C)C)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1-c1cccc(OC2CCCCC2)c1,HRJRFBZNKWUMHC-UHFFFAOYSA-N
rxn:5:177735:226598:225978,Cc1cc(C(=O)OC(C)C)cc(-c2cc(OC(C)C)c(F)cc2F)c1-c1ccc(N2CCOCC2)nc1F,GHDZFPUEOHLMPQ-UHFFFAOYSA-N
rxn:5:177736:223064:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(C3CCNCC3)nc2F)c1,IWQRFQCTZJZYJR-UHFFFAOYSA-N
rxn:5:177737:226794:225982,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(N2CCSCC2)nc1,UTFADILHUXOUIQ-UHFFFAOYSA-N
rxn:5:177738:226864:225498,COc1cc(-c2cc(C3CCCCC3)ccc2F)c(-c2cc(F)c(OC(F)F)c(F)c2)cc1OC1CCC1,IYABZMGXNRPISK-UHFFFAOYSA-N
rxn:5:177739:223061:223056,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(N2CCC(O)CC2)nc1,MDISXLSEEVCLTN-UHFFFAOYSA-N
rxn:5:177739:223061:226679,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCCC2)cc1F,NRPHWZSUKZXENE-UHFFFAOYSA-N
rxn:5:177739:226663:225834,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCSCC3)nc2)c1-c1cc(N2CCCCC2)ncc1F,MWLGTUHETUIDIA-UHFFFAOYSA-N
rxn:5:177739:226663:225976,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCSCC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,XJSLRTXAZCYANI-UHFFFAOYSA-N
rxn:5:177739:226679:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,RGYPCXLNMWCVKD-UHFFFAOYSA-N
rxn:5:177850:222992:227185,CCOc1ccc(-c2ccc(N3CCCCC3O)cc2)c(C2OCCO2)c1-c1ccc2c(c1)N(C)CCO2,BSUHCUOJDPXJDB-UHFFFAOYSA-N
rxn:5:177850:226033:227766,CCOc1ccc(-c2cc(OC)c(F)c(C(F)(F)F)c2)c(C2OCCO2)c1-c1cc(C(F)(F)F)nn1CC,OYFNCNWGIKJIOB-UHFFFAOYSA-N
rxn:5:177850:226062:226881,CCOc1ccc(-c2cc(C(C)C)cc(C(C)C)c2)c(C2OCCO2)c1-c1c(F)c(F)c(OC)c(F)c1F,YJBKLWHLHXBNKB-UHFFFAOYSA-N
rxn:5:177850:226907:222994,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1cccc(N2CCC(O)CC2)c1,LCFSUVNWDIURMU-UHFFFAOYSA-N
rxn:5:177851:226438:225451,CCOc1c(-c2ccc(SC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1cnc(C2CCCC2)cc1F,CPINTFNGPYRMJR-UHFFFAOYSA-N
rxn:5:177851:227408:225666,CCOc1c(-c2cc(F)cc(N3CCCCC3)c2)cc(C2OCCO2)cc1-c1cc(C2CCC2)ncc1F,NOAJEUGZDZWSIZ-UHFFFAOYSA-N
rxn:5:177891:226685:228500,O=C(SC1CS(=O)(=O)CC1c1cnc(C(F)(F)F)nc1)c1ccccc1-c1cnc(C2CCOCC2)nc1,BEBKVRBEVDQXSD-UHFFFAOYSA-N
rxn:5:177891:226863:223063,O=C(SC1CS(=O)(=O)CC1c1cc(F)nc(C2CCNCC2)c1)c1ccccc1-c1ccc(OC(F)(F)F)cc1F,LHIAMPZAUBLQHL-UHFFFAOYSA-N
rxn:5:177891:226900:223164,O=C(SC1CS(=O)(=O)CC1c1cc(F)c(F)c(NC2CC2)c1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,QDBTYVRYMJBXCX-UHFFFAOYSA-N
rxn:5:177891:226901:228012,O=C(SC1CS(=O)(=O)CC1c1cccc(F)c1C1CC1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,MAMDXBDHMMLYMV-UHFFFAOYSA-N
rxn:5:177891:226919:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cccc(C2CCCC2)c1,WRGKCHUBFOSMGD-UHFFFAOYSA-N
rxn:5:177891:227954:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1ccc(C2CCC2)nc1,YKEFRCXHFICVSY-UHFFFAOYSA-N
rxn:5:177891:228241:226901,CC(=O)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)ccc1F,DPXBPQDVZQBUNN-UHFFFAOYSA-N
rxn:5:178117:227070:222960,CCOc1cc(C)c(C)cc1-c1ccc(-c2cc(C)cc(C3CCNCC3)c2)c(OCC2CCOCC2)c1,VFOZKFCJSVPXIK-UHFFFAOYSA-N
rxn:5:178118:225810:227458,COc1ccc(-c2ccc(-c3cnc4c(c3)OCCN4C)cc2OCC2CCCCO2)c(C2OCCO2)c1,CIVWEBRCHPQBNZ-UHFFFAOYSA-N
rxn:5:178120:226027:225641,CC1CCCN(c2cc(-c3c(OCC4CCOCC4)cccc3-c3ccc(F)c(S(=O)(=O)N(C)C)c3)ccn2)C1,ZIYXPKSJAVQFMM-UHFFFAOYSA-N
rxn:5:178121:222984:226887,OC1CCN(Cc2ccc(-c3c(OCC4CCOCC4)cccc3-c3ccc(F)c(C(F)(F)F)c3F)cc2)C1,ODUGIYGBQDQFDS-UHFFFAOYSA-N
rxn:5:178121:225617:227341,CC(C)Oc1cccc(-c2cccc(OCC3CCOCC3)c2-c2ccc(OC3CCCCO3)cc2)c1F,LIWFFFKFOPFUEF-UHFFFAOYSA-N
rxn:5:178121:227187:225938,CN1Cc2c(cccc2-c2c(OCC3CCOCC3)cccc2-c2cc(C(F)(F)F)ncc2C2CC2)C1=O,BXKGPGQHECROGD-UHFFFAOYSA-N
rxn:5:178224:225605:227056,COc1cccc(C2CC2)c1-c1cc(OCC2CCCCC2)cc(-c2cc(C)cnc2OC2CCCC2)c1,BIRFUWTXNFCGNO-UHFFFAOYSA-N
rxn:5:178224:225929:223203,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(C4(O)CCC4)c3)c2)ccc1S(=O)(=O)N(C)C,FGVDBMQFGKJVBZ-UHFFFAOYSA-N
rxn:5:178224:227371:225625,COc1c(C)ccc(-c2cc(OCC3CCCCC3)cc(-c3cc(OC4CCCC4)ccc3F)c2)c1OC,QIKMEFVNUKUBSE-UHFFFAOYSA-N
rxn:5:178224:227521:225932,COC(=O)c1cnc(C)c(-c2cc(OCC3CCCCC3)cc(-c3ccc(N(C)C)c(C(F)(F)F)c3)c2)c1,DLJTYEPCBKPAEN-UHFFFAOYSA-N
rxn:5:178225:225394:227587,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(F)c1OC,FKCXGLHQVNLMBW-UHFFFAOYSA-N
rxn:5:178225:225448:227587,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C)ccc2OC2CCCC2)cc(F)c1OC,DSIICONUBCIGLD-UHFFFAOYSA-N
rxn:5:178225:225625:226925,Cc1cc(C2CC2)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(OC3CCCC3)ccc2F)c1C,LXXSEDIDSMDIPE-UHFFFAOYSA-N
rxn:5:178226:225621:227358,CCOc1cc(C)cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(OC3CCOC3)c(C)c2)c1F,QHLWCUIWFDJHTD-UHFFFAOYSA-N
rxn:5:178226:225622:225929,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccccc2OC2CCCCO2)ccc1S(=O)(=O)N(C)C,CNGJGHUJXDPVQV-UHFFFAOYSA-N
rxn:5:178295:223389:228496,COC(=O)C1(c2cc(-c3cnn(CC(F)(F)F)c3)ccc2-c2c(C)n[nH]c2C(F)(F)F)CCC(=O)CC1,KSSFITISIXDSCM-UHFFFAOYSA-N
rxn:5:178313:225407:227185,CN1CCOc2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3-c3ccc(C4CCCCCC4)cc3)cc21,VHNQQPSAWAMURR-UHFFFAOYSA-N
rxn:5:178313:225611:225625,COc1cc(N2CCCC2)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(OC2CCCC2)ccc1F,PGMWMFICFTWYFN-UHFFFAOYSA-N
rxn:5:178368:225832:225407,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4CCCCCC4)cc3)c(C)c2)c(C)cc1-c1c(C)nn(C2CCCCO2)c1C,MHYZUMBGBKIBDO-UHFFFAOYSA-N
rxn:5:178466:223056:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cc(N2CCOCC2)ncc1F,WFBPDTXMWDLITD-UHFFFAOYSA-N
rxn:5:178466:223061:225976,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,KFOZTVPBTCDQBS-UHFFFAOYSA-N
rxn:5:178466:225656:225849,CC(C)OC(=O)c1sc2cc(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,HPJZDVOKKXINRF-UHFFFAOYSA-N
rxn:5:178466:225784:223063,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,KSAJRLIWZSHVEB-UHFFFAOYSA-N
rxn:5:178467:223011:223006,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,RXSCBENQMJDFCX-UHFFFAOYSA-N
rxn:5:178467:223062:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,HWVXGFMUTTVIMJ-UHFFFAOYSA-N
rxn:5:178467:223064:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,DEECXTYXHYYWHL-UHFFFAOYSA-N
rxn:5:178467:223378:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc4c(c3)NCCO4)c2OC1,UYNCZYDAUCVTQI-UHFFFAOYSA-N
rxn:5:178467:225602:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,HHPMZYOBCWXEAV-UHFFFAOYSA-N
rxn:5:178467:225602:227377,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCC3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,LEBHXMLOKVPKIA-UHFFFAOYSA-N
rxn:5:178467:225849:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,REJPNEPTDVCWAI-UHFFFAOYSA-N
rxn:5:178467:225881:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,GUECTGIKYBERBV-UHFFFAOYSA-N
rxn:5:178467:225982:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,HSFUOSGRMAMHLJ-UHFFFAOYSA-N
rxn:5:178467:226153:227078,CCOC(=O)C1=Cc2cc(-c3cc(OC)ccc3C3CC3)cc(-c3cc(C4CC4)c(OC)cc3C)c2OC1,INSZNSNULBJDIY-UHFFFAOYSA-N
rxn:5:178467:226366:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,OHRZJEXUIWIFCU-UHFFFAOYSA-N
rxn:5:178467:226645:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,BJIUDQUONDFUOP-UHFFFAOYSA-N
rxn:5:178467:226679:225639,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,LWZDKIOCRZNDTI-UHFFFAOYSA-N
rxn:5:178467:226763:227680,CCOC(=O)C1=Cc2cc(-c3cccc4c3OC(F)(F)O4)cc(-c3cc(F)c(C(=O)OC)c(F)c3)c2OC1,QYGQLZHJPIWTPK-UHFFFAOYSA-N
rxn:5:178467:226764:227679,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)OC(F)(F)O4)cc(-c3ccc(F)c(C(=O)OC)c3F)c2OC1,NCSXTIHRJUJVQH-UHFFFAOYSA-N
rxn:5:178467:226794:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,RWJSKNKNDGHMDO-UHFFFAOYSA-N
rxn:5:178467:227376:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,AGYWJUYPCSAYCC-UHFFFAOYSA-N
rxn:5:178467:228653:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnn4c3CCCC4)c2OC1,CJMUNAJATKQYLA-UHFFFAOYSA-N
rxn:5:179629:225978:225605,COc1ccc(-c2ccc(N3CCOCC3)nc2F)c(S(C)(=O)=O)c1-c1cc(C)cnc1OC1CCCC1,FKIIADFVPOXYDJ-UHFFFAOYSA-N
rxn:5:179629:226583:225802,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(OC2CCCC2)nc1F,UYKQJGSMDSRKLI-UHFFFAOYSA-N
rxn:5:179840:225440:225932,CN(C)c1ccc(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc1C(F)(F)F,VTNPASSFOSXLFT-RUZDIDTESA-N
rxn:5:179840:225448:226027,Cc1ccc(OC2CCCC2)c(-c2ccc(O[C@@H]3CCOC3)cc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,ZLNHABTWJYSDDM-XMMPIXPASA-N
rxn:5:179840:225605:226027,Cc1cnc(OC2CCCC2)c(-c2ccc(O[C@@H]3CCOC3)cc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,SNHVUZKLKSEUPG-HSZRJFAPSA-N
rxn:5:179840:225611:226027,COc1cc(N2CCCC2)ccc1-c1ccc(O[C@@H]2CCOC2)cc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,POBAZWDAYRRIFB-HSZRJFAPSA-N
rxn:5:179840:225802:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(OC3CCCC3)nc2F)c1,YLBFARBTZZROJI-JOCHJYFZSA-N
rxn:5:179840:225930:225802,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(O[C@@H]3CCOC3)cc2-c2ccc(OC3CCCC3)nc2F)c1,IOJCITLWOKMNTO-JOCHJYFZSA-N
rxn:5:179840:226027:225448,Cc1ccc(OC2CCCC2)c(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,HKLOOWVXNZVTHY-XMMPIXPASA-N
rxn:5:179840:226027:225605,Cc1cnc(OC2CCCC2)c(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,LCRWONNESADAFJ-HSZRJFAPSA-N
rxn:5:180020:226779:225679,O=C1CCCC1Oc1ccc(-c2ccc(N3CCCCC3)cc2F)cc1-c1ccc(C(=O)C(F)(F)F)cc1,PXBDEKVQIDZGRX-UHFFFAOYSA-N
rxn:5:180020:226900:226031,O=C1CCCC1Oc1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,FOZTUXHPGSNWAL-UHFFFAOYSA-N
rxn:5:180021:225435:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccccc3CN3CCCCC3)c1OC)OCCO2,YFWBTVFPXABDPR-UHFFFAOYSA-N
rxn:5:180021:225436:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CCCCC4)cc3)c1OC)OCCO2,DSBPCQYSEJMNGQ-UHFFFAOYSA-N
rxn:5:180021:225437:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(CN4CCCCC4)c3)c1OC)OCCO2,PGROCXLJPFOJGV-UHFFFAOYSA-N
rxn:5:180021:225448:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cc(C)ccc3OC3CCCC3)c1OC)OCCO2,PUVLUUGYRFLVGA-UHFFFAOYSA-N
rxn:5:180021:225661:226026,COc1c(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)cc(C2OCCO2)cc1-c1ccc(N2CCOCC2)cc1C,RSALQWZBSIOJNY-UHFFFAOYSA-N
rxn:5:180021:225671:226686,COc1c(-c2cc(C3CCCCC3)ncc2F)cc(C2OCCO2)cc1-c1c(C)cnn1C1CCCCO1,HGWGISMKPVDBDO-UHFFFAOYSA-N
rxn:5:180021:225925:223004,COc1c(-c2ccc(C3CCNCC3)c(F)c2)cc(C2OCCO2)cc1-c1cc(S(=O)(=O)N(C)C)ccc1C,BYWHGWATPYIZIV-UHFFFAOYSA-N
rxn:5:180022:222988:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)ccc(-c2cc(C)nc(C3CCNCC3)c2)c1C1OCCO1,LXAZLKOKEANAFG-UHFFFAOYSA-N
rxn:5:180022:223006:225978,COc1c(-c2ccc(N3CCOCC3)nc2F)ccc(-c2ccc(F)c(C3CCNCC3)c2)c1C1OCCO1,PFPPHURJYRQULF-UHFFFAOYSA-N
rxn:5:180022:223008:226174,COc1c(-c2ccc(C3CCCCC3)nc2)ccc(-c2cc(C3CCNCC3)ccc2F)c1C1OCCO1,LGBCQQYICAGPTJ-UHFFFAOYSA-N
rxn:5:180022:225407:223062,COc1c(-c2cnc(C3CCNCC3)cc2F)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,JAZYAUSIBPUSGI-UHFFFAOYSA-N
rxn:5:180022:225456:226898,COc1c(-c2cn(S(=O)(=O)N(C)C)nc2C)ccc(-c2ccc(C3CCN(C)CC3)cc2)c1C1OCCO1,KUQGDBHXBJQIOJ-UHFFFAOYSA-N
rxn:5:180022:225499:226321,COc1c(-c2ccc(SC3CCCC3)nc2)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,NXMZJQPEDVYQBK-UHFFFAOYSA-N
rxn:5:180022:225661:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)ccc(-c2ccc(N3CCOCC3)cc2C)c1C1OCCO1,HCAIGKRCRVYGFL-UHFFFAOYSA-N
rxn:5:180022:226027:226658,COc1c(-c2ccc(N3CCCC3)nc2F)ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1C1OCCO1,AOZGNRJRLNJEKE-UHFFFAOYSA-N
rxn:5:180022:226422:226661,COc1c(-c2cc(N3CCN(C)CC3)cs2)ccc(-c2cc(F)ccc2N2CCCC2)c1C1OCCO1,HPJXVBZOYDUGEI-UHFFFAOYSA-N
rxn:5:180092:225834:223056,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cc(N3CCCCC3)ncc2F)c1,YDTQDMKCMDDKDU-UHFFFAOYSA-N
rxn:5:180096:225672:225656,CC1CCCCN1c1cncc(-c2cc(-c3cc(F)nc(C4CCCCC4)c3)ccc2OC2CCCC2)c1,WOQIZTPLONDAOQ-UHFFFAOYSA-N
rxn:5:180097:225446:226027,Cc1cc(OC2CCCC2)cc(-c2cc(OC3CCCC3)cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)c1,QBRGOICMAIMBIP-UHFFFAOYSA-N
rxn:5:180297:225499:225451,COc1cc(-c2ccc(C3CCCCC3)cc2F)c(C2(C)OCCO2)cc1-c1ccc(SC2CCCCC2)cc1,TUUKRIZRCFANAW-UHFFFAOYSA-N
rxn:5:180297:225499:227277,COc1cc(-c2ccc(C3CCCCC3)cc2F)c(C2(C)OCCO2)cc1-c1ccc(N(C)C)c(C#N)c1,DLQQNHAVEVNMPX-UHFFFAOYSA-N
rxn:5:180297:225633:226774,COc1cc(-c2ccc(N3CCCCCC3)nc2)c(C2(C)OCCO2)cc1-c1ccc(OC(F)=C(F)F)cc1,BSSIJEQYOYYYDJ-UHFFFAOYSA-N
rxn:5:180297:225799:226588,COc1cc(-c2cncc(OC3CCOCC3)c2)c(C2(C)OCCO2)cc1-c1cc(OC2CCC2)ncc1F,JYDHIEXQMDFUSN-UHFFFAOYSA-N
rxn:5:180297:226572:226420,COc1cc(-c2cnc(OC3CCCC3)nc2)c(C2(C)OCCO2)cc1-c1ccc(F)c(N2CCCC2)c1,QHAOLAXGCAQBQT-UHFFFAOYSA-N
rxn:5:180297:226599:227766,CCOc1c(F)cc(-c2cc(OC)c(-c3cc(C(F)(F)F)nn3CC)cc2C2(C)OCCO2)c(C)c1F,IXWRKNREVNOTFD-UHFFFAOYSA-N
rxn:5:180297:226911:225605,CCc1cc(C)cc(CC)c1-c1cc(OC)c(-c2cc(C)cnc2OC2CCCC2)cc1C1(C)OCCO1,MOJBCVWJZLVSMA-UHFFFAOYSA-N
rxn:5:180297:227058:225514,COc1ccc(C2CC2)cc1-c1cc(OC)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1(C)OCCO1,LLWDLGPMXUDTKX-UHFFFAOYSA-N
rxn:5:180297:227072:225514,COc1cc(C2CC2)ccc1-c1cc(OC)c(-c2cccc3c2OCC2(CC2)CO3)cc1C1(C)OCCO1,NQILXRALEOTIEZ-UHFFFAOYSA-N
rxn:5:180297:227371:225585,COc1cc(-c2ccc(C)c(OC)c2OC)c(C2(C)OCCO2)cc1-c1ccccc1CN1CCOCC1,SLMOUGCFMOOBEY-UHFFFAOYSA-N
rxn:5:180506:225447:227950,Cc1ccc(N(C)C)cc1-c1c(-c2ccc(OC3CCCCC3)cc2)cc(C(C)(C)C)cc1C1OCCO1,NLUAGKOOAQFZRT-UHFFFAOYSA-N
rxn:5:180662:223061:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,GUYBMGSREQSIGB-UHFFFAOYSA-N
rxn:5:181905:225802:226027,Cc1ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1-c1ccc(OC2CCCC2)nc1F,QEIBLGVNYVVSEI-UHFFFAOYSA-N
rxn:5:182952:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c2c1OCCC2=O,OQZQMLKDHGZKJI-UHFFFAOYSA-N
rxn:5:183063:225832:225633,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(N3CCCCCC3)nc2)ccc2c1CCCC2=O,SHDLFVQWRCOIPY-UHFFFAOYSA-N
rxn:5:183064:225832:226654,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2csc(N3CCC(C)CC3)n2)cc2c1CCCC2=O,NMBRXJRSEQELGJ-UHFFFAOYSA-N
rxn:5:183064:226836:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cn(C(C)C)nc3C(F)(F)F)c1)CCCC2=O,IUUYAIYSQSDNET-UHFFFAOYSA-N
rxn:5:183216:225939:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc2c1OC(C)(C)CC2=O,SXYQDBKBYMNBNE-UHFFFAOYSA-N
rxn:5:188375:225832:226835,COC(=O)Cc1nc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1-c1c(C)nn(C2CCCCO2)c1C,VMFTYGNSNJVZFC-UHFFFAOYSA-N
rxn:5:188386:225924:223054,CCOC(=O)c1c(-c2ccc(S(=O)(=O)N(C)C)cc2C)ccnc1-c1ccc(C(C)N2CCC(O)C2)s1,QSFPMQYMJFCJNL-UHFFFAOYSA-N
rxn:5:188458:225832:226652,COC(=O)c1cc(-c2cc(C)nn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1[N+](=O)[O-],MNPFDYGCVAOJMR-UHFFFAOYSA-N
rxn:5:188787:226188:225603,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc([N+](=O)[O-])c(OC2CC2)cc1-c1cccc(C2(C#N)CCC2)c1F,OMHCMNRQOHNNAH-UHFFFAOYSA-N
rxn:5:188931:222956:225931,COC(=O)c1cc(-c2ccc(C)cc2C2CCCNC2)cc(S(N)(=O)=O)c1-c1cc(C)cc(S(=O)(=O)N(C)C)c1,REFMTHUJSFPWPQ-UHFFFAOYSA-N
rxn:5:189000:226589:226836,CC(C)Oc1cc(-c2cc(C(F)F)ncc2C(C)C)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1[N+](=O)[O-],CQKVPRGMYBZXIY-UHFFFAOYSA-N
rxn:5:189207:225583:227870,O=C1CCc2ccc(-c3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3C(=O)ON3C(=O)CCC3=O)cc21,JUWAASKIALFJNT-UHFFFAOYSA-N
rxn:5:189207:226069:228631,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccsc1C1CCC1,ZLJJYPSTEBXJOI-UHFFFAOYSA-N
rxn:5:189207:226158:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCCCC2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,ZEGVEYTXNRPBIH-UHFFFAOYSA-N
rxn:5:189207:226185:227920,CCC(=O)c1ccc(-c2ccc(-c3ccc(C4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,GUDRSAJOEJLEIM-UHFFFAOYSA-N
rxn:5:189207:226319:225583,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1cccc(C(=O)N2CCCC2)c1,YNMOPLSXXQMKDN-UHFFFAOYSA-N
rxn:5:189207:226415:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(N2CCOCC2=O)c1,BQRHLIKFWANJAK-UHFFFAOYSA-N
rxn:5:189207:226415:228317,COC(=O)c1ccc(-c2ccc(-c3ccccc3N3CCOCC3)cc2C(=O)ON2C(=O)CCC2=O)cn1,ARSPSNGPYCPAHE-UHFFFAOYSA-N
rxn:5:189207:226899:226185,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1ccc(C2CCOCC2)cc1,JKZOZCOKQDOEFL-UHFFFAOYSA-N
rxn:5:189207:227103:228488,O=C(ON1C(=O)CCC1=O)c1cc(-c2sccc2C2CCCCC2)ccc1-c1ccc(F)cc1[N+](=O)[O-],GSILFSYZRUZYAV-UHFFFAOYSA-N
rxn:5:189207:227203:227750,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OCCCO3)ccc1-c1cccc(F)c1C(F)(F)F,SHPSAVIDKXVCSG-UHFFFAOYSA-N
rxn:5:189207:227205:227095,O=C1CC(c2ccc(-c3ccc(-c4cccc5c4OCCCO5)cc3C(=O)ON3C(=O)CCC3=O)cc2)C1,IFJUKOSUQAPLNK-UHFFFAOYSA-N
rxn:5:189207:227680:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1cccc(C2CCOCC2)c1,GHZPZKNQCJOITF-UHFFFAOYSA-N
rxn:5:189207:227863:226900,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)CCCO3)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,KDGNADXOQWUYFF-UHFFFAOYSA-N
rxn:5:189207:227875:226033,COc1cc(-c2ccc(-c3cccc4c3CCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)c1F,SIIJVQMMHQJNSC-UHFFFAOYSA-N
rxn:5:189207:228066:226749,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc3c(c2)OCCO3)cc1C(=O)ON1C(=O)CCC1=O,XZDVPQSGRYBQED-UHFFFAOYSA-N
rxn:5:189207:228079:227657,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2COC3=O)ccc1-c1ccc(N2CCOCC2)s1,BKVPVGJXKKWWAR-UHFFFAOYSA-N
rxn:5:189207:228501:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cnn(C)c2C(F)(F)F)cc1C(=O)ON1C(=O)CCC1=O,KAOCWFWIHGRLOU-UHFFFAOYSA-N
rxn:5:189207:228531:225822,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2CCO3)ccc1-c1cccc(C(F)(F)F)c1C1CC1,XRDDMZBRDZTOKR-UHFFFAOYSA-N
rxn:5:189207:228602:225617,CC(=O)c1ccc(-c2ccc(-c3ccc(OC4CCCCO4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,PTIZBKYKCCYECJ-UHFFFAOYSA-N
rxn:5:189207:229089:225832,CC(=O)c1sccc1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C(=O)ON2C(=O)CCC2=O)c1,DSRSYKBLQKBPDG-UHFFFAOYSA-N
rxn:5:189208:223389:227739,Cc1cc(-c2cc(-c3c(C)n[nH]c3C(F)(F)F)ccc2C(=O)ON2C(=O)CCC2=O)cnc1C(F)(F)F,JIEWDRGEQDYFPM-UHFFFAOYSA-N
rxn:5:189208:226185:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCOCC3)cc2)cc1-c1cccc(C(=O)N2CCC2)c1,YQTUKOWZBOIWIY-UHFFFAOYSA-N
rxn:5:189208:226187:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOCC3)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,MHRKLELYXGXZAG-UHFFFAOYSA-N
rxn:5:189208:226452:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCCO3)cc2)cc1-c1ccc(N2CCOCC2)cc1,NCOSCPAEYFSJSC-UHFFFAOYSA-N
rxn:5:189208:226966:226084,O=C1CCCCc2ccc(-c3cc(-c4ccc5c(c4)C(=O)CCC5)ccc3C(=O)ON3C(=O)CCC3=O)cc21,INVZUNJICMLVQU-UHFFFAOYSA-N
rxn:5:189208:226968:225804,CC1(C)Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C(=O)N5CCC5)c(F)c4)c3)cc2O1,DKSMOJBSRQWQFR-UHFFFAOYSA-N
rxn:5:189208:227131:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOC3)c2)cc1-c1cccc(N2CCOCC2=O)c1,HAGXSJUGIKLKMW-UHFFFAOYSA-N
rxn:5:189208:227203:226029,CCOc1c(F)c(F)c(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c1F,VWAUIMBXFKRHMD-UHFFFAOYSA-N
rxn:5:189208:227330:226185,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C4CCOCC4)cc3)c2)c(C)c1,DWOFXPULCJQJKY-UHFFFAOYSA-N
rxn:5:189208:227359:228002,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3sccc3C3CCCC3)c2)c1C,QVDZJVVIDYWKLP-UHFFFAOYSA-N
rxn:5:189208:227654:228345,COC(=O)c1sc(C)cc1-c1cc(-c2ccc(C3OCCO3)nc2)ccc1C(=O)ON1C(=O)CCC1=O,WVYCFKVSQSOTND-UHFFFAOYSA-N
rxn:5:189208:227680:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1cccc(C2CCOCC2)c1,LASALPATVGELHD-UHFFFAOYSA-N
rxn:5:189208:228066:226760,COC(=O)c1cc(-c2cc(-c3ccc4c(c3)OCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc(F)c1F,LHTJOQODASRYKV-UHFFFAOYSA-N
rxn:5:189208:228509:225871,CC(C)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cc1,KTQBHAFAFXSCSY-UHFFFAOYSA-N
rxn:5:189208:228514:225943,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CC3)c2)cc1-c1ccc(C(=O)N2CCOCC2)s1,IXSOMALVLRUCBW-UHFFFAOYSA-N
rxn:5:189208:228531:225822,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2CCO3)cc1-c1cccc(C(F)(F)F)c1C1CC1,NFWIEEOWIWOFEH-UHFFFAOYSA-N
rxn:5:189208:228728:225617,COc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC4CCCCO4)cc3)c2)cc1C,XWRUKTOGXJNHPZ-UHFFFAOYSA-N
rxn:5:189208:228870:226069,COC(=O)c1csc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CCCCC4)c3)c2)c1,QLWXRUKNERRYRR-UHFFFAOYSA-N
rxn:5:189209:225616:226333,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCC3)c2)cc(-c2ccccc2C(=O)N2CCCC2)c1,ZPSLUIKSLJIWDD-UHFFFAOYSA-N
rxn:5:189209:225616:226452,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)cc(-c2ccccc2C(=O)N2CCCC2)c1,FKUIOUYNYPPKSX-UHFFFAOYSA-N
rxn:5:189209:226049:228066,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)cc(-c2ccc3c(c2)OCCO3)c1,KSPSNPDISQFQFW-UHFFFAOYSA-N
rxn:5:189209:226084:228870,COC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)C(=O)CCCC4)c2)c1,UVPGUJYJLRISDT-UHFFFAOYSA-N
rxn:5:189209:226411:227044,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CC3)cc2)cc(-c2ccc(N3CCOCC3)cc2)c1,RZAWNLDRRQZGNA-UHFFFAOYSA-N
rxn:5:189209:229052:226428,CCCn1nccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(N3CCCCC3C)cs2)c1,AUOSUKDDGQKAOS-UHFFFAOYSA-N
rxn:5:189210:225450:228078,O=C1OCc2cc(-c3cccc(-c4ccc(C(=O)C5CCCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)ccc21,HEVRSXSOSMCQMY-UHFFFAOYSA-N
rxn:5:189210:225584:229013,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1sccc1C1CC1,DJGHSWDXIUJLOT-UHFFFAOYSA-N
rxn:5:189210:225636:229014,CC1CCN(c2cc(-c3cccc(-c4ccc(C(C)C)s4)c3C(=O)ON3C(=O)CCC3=O)ccn2)CC1,MOOLXHOIKNIHFR-UHFFFAOYSA-N
rxn:5:189210:226319:228866,COCc1noc(C)c1-c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,LFOOKDKHHLMYPQ-UHFFFAOYSA-N
rxn:5:189210:226374:228340,COc1nc(C2CC2)sc1-c1cccc(-c2cncnc2C2CCCCC2)c1C(=O)ON1C(=O)CCC1=O,YQSSJKJNWWJBLZ-UHFFFAOYSA-N
rxn:5:189210:226686:228753,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cccc(F)c2C#N)c1C(=O)ON1C(=O)CCC1=O,RRDOYBPTVKMIFG-UHFFFAOYSA-N
rxn:5:189210:226738:227095,CC(=O)c1ccc(-c2cccc(-c3ccc(C4CC(=O)C4)cc3)c2C(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1,HMSXIZKNGSGOBV-UHFFFAOYSA-N
rxn:5:189210:228199:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cn(C3CCC3)nc2C)c1C(=O)ON1C(=O)CCC1=O,IFUPSLXFAPQQHR-UHFFFAOYSA-N
rxn:5:189210:228349:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2cnn(C3CCOC3)c2)c1C(=O)ON1C(=O)CCC1=O,CNVXGNBCMKAGBR-UHFFFAOYSA-N
rxn:5:189211:223422:225943,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(/C=N/O)cc2)c1-c1ccc(C(=O)N2CCOCC2)s1,UKYAKYYRVHHDFG-LQKURTRISA-N
rxn:5:189211:225616:227804,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],JEUNMWDWEFUIJK-UHFFFAOYSA-N
rxn:5:189211:225832:229256,Cc1noc(C)c1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1c(C)nn(C2CCCCO2)c1C,UVOWREIJWWCHDO-UHFFFAOYSA-N
rxn:5:189211:225871:227814,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc(CC2CC2)cc1,GGPLPQICMMYZSP-UHFFFAOYSA-N
rxn:5:189211:225926:226185,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1ccc(C2CCOCC2)cc1,RSLNZQCKBYKLSV-UHFFFAOYSA-N
rxn:5:189211:226186:227326,COC(=O)c1ccc(C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2C2CCOCC2)c1,QEBZYTGLPOQHAQ-UHFFFAOYSA-N
rxn:5:189211:226319:228488,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1ccc(F)cc1[N+](=O)[O-],QMJVMYYOXMFFBT-UHFFFAOYSA-N
rxn:5:189211:226760:228066,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)OCCO3)cc(F)c1F,QXNDCFQFAIMJJN-UHFFFAOYSA-N
rxn:5:189211:227501:225616,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccccc1C(=O)N1CCCC1,SUNGHEBEKOQNCK-UHFFFAOYSA-N
rxn:5:189211:227656:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(N3CCOCC3)cs2)c1-c1ccc(N2CCOCC2)cc1,GBTYNWBMPHSEMU-UHFFFAOYSA-N
rxn:5:189211:228019:226185,CC(=O)c1ccc(C)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCOCC3)cc2)c1,CTSSUFOANWSLPH-UHFFFAOYSA-N
rxn:5:189211:229009:225584,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(C3CC3)cs2)c1-c1ccc(C(=O)N2CCCC2)cc1,OFCGEEMLCHIAKZ-UHFFFAOYSA-N
rxn:5:189212:225616:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)c(-c2ccccc2C(=O)N2CCCC2)c1,SPIVXAWPIUBORS-UHFFFAOYSA-N
rxn:5:189212:225871:228541,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)COC3)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,BPXRJLNTKQIYHL-UHFFFAOYSA-N
rxn:5:189212:225871:229090,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cs1,HEHJEFVIWGPBQC-UHFFFAOYSA-N
rxn:5:189212:226084:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOCC3)c2)c(-c2ccc3c(c2)C(=O)CCCC3)c1,NKXDJSLDBHLIGC-UHFFFAOYSA-N
rxn:5:189212:226164:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2ccc(N3CCCCC3)cc2)c1,GNLFWFDLIVVJIV-UHFFFAOYSA-N
rxn:5:189212:226415:228488,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)cc2[N+](=O)[O-])c(-c2ccccc2N2CCOCC2)c1,ZBRVGPPAUMOSJF-UHFFFAOYSA-N
rxn:5:189212:226737:227875,N#Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2CCCO3)ccc1C(F)(F)F,CNWQQAXWLNCURN-UHFFFAOYSA-N
rxn:5:189212:226919:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2cccc(C3CCCC3)c2)c1,OIRRZEYUGRMCJA-UHFFFAOYSA-N
rxn:5:189212:226966:226969,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)CCCC3=O)c(-c2ccc3c(c2)C(=O)CCC3)c1,AQKLGUJCAUDHNK-UHFFFAOYSA-N
rxn:5:189212:227205:228343,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)cc1C,CSEQRBNTFDNBTG-UHFFFAOYSA-N
rxn:5:189212:227279:225449,CC(C)n1nc(C2CC2)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cccc(OC2CCCCC2)c1,WUFORSDTKFWUJB-UHFFFAOYSA-N
rxn:5:189212:227386:228149,COC(=O)c1ccccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cnn(C2CCCCC2)c1,QYEXSMAMTBSIEH-UHFFFAOYSA-N
rxn:5:189212:227506:226319,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)c(-c2cccc(/C=C/[N+](=O)[O-])c2)c1,YQZZBSNUXQGKHE-DTQAZKPQSA-N
rxn:5:189212:227506:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCOCC3)cs2)c(-c2cccc(/C=C/[N+](=O)[O-])c2)c1,WXWQDSYXIZUFDA-CMDGGOBGSA-N
rxn:5:189212:227611:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2ccnn2C2CCCCO2)c1,NZYOBPRDBAQSFM-FYWRMAATSA-N
rxn:5:189212:227679:223271,CC(=O)Nc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OC(F)(F)O3)ccc1F,LSUHRJUNAYVBER-UHFFFAOYSA-N
rxn:5:189212:227926:226031,CC(C)Sc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C(F)(F)F)cc2C(F)F)cc1,LFBMOBHENNVADJ-UHFFFAOYSA-N
rxn:5:189212:228077:225618,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(OC3CCCCO3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,MDVFMVQJVATNKB-UHFFFAOYSA-N
rxn:5:189212:228077:226763,COC(=O)c1c(F)cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)OC3)cc1F,NRBRXIKQZQSYSC-UHFFFAOYSA-N
rxn:5:189212:228079:226880,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)c(F)c(C(F)(F)F)c2)c(-c2cccc3c2COC3=O)c1,NICTTYAUNIWIAW-UHFFFAOYSA-N
rxn:5:189212:228345:227446,COC(=O)c1sc(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C2OCCO2)cc1,GMOMGHJVHBPTBG-UHFFFAOYSA-N
rxn:5:189322:223000:223010,CC(C)(C)OC(=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1-c1ccc(C2(O)CCOCC2)cc1,MAHPYLYLAWSJOL-UHFFFAOYSA-N
rxn:5:189337:227611:222988,COc1c(-c2cc(C)nc(C3CCNCC3)c2)cc(C(=O)N(C)C)cc1-c1ccnn1C1CCCCO1,RZPXMXLMAHCHSH-UHFFFAOYSA-N
rxn:5:189539:225591:225465,CC(C)N(C)C(=O)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1-c1cccc(C2CCN(C)CC2)c1,KCOLQDTXMKSQQK-UHFFFAOYSA-N
rxn:5:189540:225447:225591,COC1CN(Cc2cc(-c3ccc(OC4CCCCC4)cc3)ccc2-c2cc(CN3CCCC3)ccc2F)C1,SLZGJYGYAYMFSQ-UHFFFAOYSA-N
rxn:5:189665:225925:226971,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cnc(OCC2CCOCC2)c(-c2ccc3c(c2)CCCOC3)c1,PIEGLRFOZYYESA-UHFFFAOYSA-N
rxn:5:189669:227444:225784,CC(C)(C)S(=O)/N=C/c1ccc(-c2cncc(C3CCCO3)c2)c(-c2ccc(CN3CCOCC3)nc2)c1,KIZRUEWGFRTONR-ATZGPIRCSA-N
rxn:5:189670:226148:223188,CNc1cc(C(F)(F)F)c(-c2ccc(-c3cccc(C#C[Si](C)(C)C)c3)cc2/C=N/S(=O)C(C)(C)C)cn1,VFQHSPHYOUVICL-MWBNBJEGSA-N
rxn:5:189671:226837:228495,Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(-c2ccn(CC(F)(F)F)n2)c1/C=N/S(=O)C(C)(C)C,WQZXIDNZEZAUJX-KNBZMSCYSA-N
rxn:5:189676:226900:226428,CC1CCCCN1c1csc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1,NVENLUQCYPYCQM-UHFFFAOYSA-N
rxn:5:189827:227766:228502,CCn1nc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCOCC2)ccc1-c1nn(C)cc1C(F)(F)F,JZVONSOUYHSGGV-UHFFFAOYSA-N
rxn:5:189829:226464:227561,COc1cc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3c(OC)ccc4c3OCCO4)c2OC)cc1OC,NMMRWQYUIXFPEV-UHFFFAOYSA-N
rxn:5:189829:226464:227562,COc1ccc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3c(OC)ccc4c3OCCO4)c2OC)c1OC,PBEBGIUKPDLMGQ-UHFFFAOYSA-N
rxn:5:189908:226026:225449,CN(C)S(=O)(=O)c1ccc(-c2cnc(-c3cccc(OC4CCCCC4)c3)c(OCC3CCCCC3)c2)cc1F,PEURDNNGLOUHFD-UHFFFAOYSA-N
rxn:5:189909:223061:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)c(CCN2CCOCC2)c1,VGWVYOIRNISMHO-UHFFFAOYSA-N
rxn:5:189909:225849:223058,Fc1cc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)c(CCN3CCOCC3)c2)cc(C2CCCNC2)n1,ODFQWMDVWWEPAU-UHFFFAOYSA-N
rxn:5:189909:226366:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,CIOFZFHVUGSNDX-UHFFFAOYSA-N
rxn:5:189952:222990:228417,COc1c(-c2ccc(N3CCC(O)CC3)cc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C(F)F)c1,KJWNEZFISJVHTM-UHFFFAOYSA-N
rxn:5:189952:223199:227412,COc1c(-c2cccc(C3CCNC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(C)(C)C)cc1F,OYQDABMIFSMBLY-UHFFFAOYSA-N
rxn:5:189952:225447:227299,COc1c(-c2ccc(OC3CCCCC3)cc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)cc(CN(C)C)c1,HCGOULBYMMILAM-UHFFFAOYSA-N
rxn:5:189952:226851:227365,CCOc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(OC)ncc3C(F)(F)F)c2OC)cc(C)c1F,IKZJTWIVDFEARC-UHFFFAOYSA-N
rxn:5:189952:228703:226395,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(C2CCC2)c1,ZCXHEPDMEYXUHK-UHFFFAOYSA-N
rxn:5:190000:225935:223359,CNCc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cc(C(C)C)nc(C(F)(F)F)c3)c2)cc1F,FXOTUTJKXCGRRN-UHFFFAOYSA-N
rxn:5:190001:228677:225833,CC(C)Cn1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccnc(N3CCCCC3)c2F)cn1,YPIIBURVTIAGLI-UHFFFAOYSA-N
rxn:5:190127:225980:225834,COC1CCN(C(=O)c2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2cc(N3CCCCC3)ncc2F)CC1,JTCWEXQAHNRCSR-UHFFFAOYSA-N
rxn:5:190128:227661:226144,COC1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C)c(-c3ccc(C#C[Si](C)(C)C)cc3)c2)CC1,UYEBJAIVELNTTD-UHFFFAOYSA-N
rxn:5:190131:228469:226576,COc1c(-c2ccc(F)c(C(=O)N(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1cc([N+](=O)[O-])cnc1C,KSTSNJUKGJQQBJ-UHFFFAOYSA-N
rxn:5:190131:228753:225872,COc1c(-c2cc(F)c(F)c(N3CCCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cccc(F)c1C#N,MAWZCDSQVMDSAM-UHFFFAOYSA-N
rxn:5:190132:228366:225597,COC1CCN(C(=O)c2ccc(-c3cnc(N(C)C)c(F)c3)cc2-c2ccc(OC3CCCCC3)nc2)CC1,NFUPLAXNVMZODI-UHFFFAOYSA-N
rxn:5:190177:225470:226901,CC1CCN(c2ccc(-c3ccc(N4C(=O)CC(Sc5ccc(-c6cccc(S(F)(F)(F)(F)F)c6)cc5)C4=O)cc3)cc2)CC1,UGUWNWIMGNVYEN-UHFFFAOYSA-N
rxn:5:190177:226901:226900,O=C1CC(Sc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,DVIYUVDGBSPXCM-UHFFFAOYSA-N
rxn:5:190194:225810:227520,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnc(OC(C)C)cc2F)c(C2OCCO2)c1,UFKQZVPUDFKMJG-UHFFFAOYSA-N
rxn:5:190194:225871:226686,COC1CCN(Cc2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2-c2c(C)cnn2C2CCCCO2)CC1,CQRXNBULBUPASJ-UHFFFAOYSA-N
rxn:5:190194:227674:226364,COc1c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(N3CCCCC3)nc2)cc(C)c(F)c1F,FEKGNPPMWLZNIB-UHFFFAOYSA-N
rxn:5:190194:227951:225445,COC1CCN(Cc2cccc(-c3ccc([N+](C)(C)C)cc3)c2-c2ccccc2OC2CCCCC2)CC1,FXMNUBOKBVRMBO-UHFFFAOYSA-N
rxn:5:190195:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,BPLOYDULAFEUKJ-UHFFFAOYSA-N
rxn:5:190195:223062:223113,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,MPAKDSDWHJUCGW-UHFFFAOYSA-N
rxn:5:190195:225448:226883,Cc1ccc(OC2CCCC2)c(-c2ccc(CN(C)C3CCOCC3)cc2-c2c(F)ccc(C(F)(F)F)c2F)c1,JYDSUWSHZYOQNY-UHFFFAOYSA-N
rxn:5:190195:227348:226190,COc1ccc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(C3CCCC3)cc2F)c(C)c1OC,IYBBOPTWXVKFCN-UHFFFAOYSA-N
rxn:5:190195:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,WSPPEFOZYUOSDC-UHFFFAOYSA-N
rxn:5:190196:222417:225655,CC1CCN(c2cncc(-c3cc(-c4cnc(=O)[nH]c4C(C)C)ccc3CN(C)C3CCOCC3)c2)CC1,RSGVFIGDDQBPOZ-UHFFFAOYSA-N
rxn:5:190196:226588:223113,CN(Cc1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,GNOKEAOZHWQNQY-UHFFFAOYSA-N
rxn:5:190197:225438:228148,COc1cccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C(C)N4CCCC4)cc3)c2)c1OC,OMKFTTBOFFBUFM-UHFFFAOYSA-N
rxn:5:190197:225440:226597,CC(C)Oc1c(F)cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)cc1F,JKGNYGAUACRCNL-UHFFFAOYSA-N
rxn:5:190197:225874:228408,COc1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(F)c(N4CCOCC4)c3)c2)cc1F,FZMMABVSWOTFQZ-UHFFFAOYSA-N
rxn:5:190197:226649:226429,CC1CCCN(c2ccc(-c3ccc(CN(C)C4CCOCC4)c(-c4cccnc4N4CCOCC4)c3)s2)C1,QMANJFMUWYAQGL-UHFFFAOYSA-N
rxn:5:190197:228223:225806,CN(Cc1ccc(-c2cnc(OC3CCCC3)cc2F)cc1-c1ccc(C2CC2)nc1F)C1CCOCC1,FBSDZKRJNOCASN-UHFFFAOYSA-N
rxn:5:190198:226968:226464,COc1ccc2c(c1-c1cccc(-c3ccc4c(c3)OC(C)(C)C4)c1CN(C)C1CCOCC1)OCCO2,CWRNJWUKPHMLQR-UHFFFAOYSA-N
rxn:5:190199:222417:226571,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnn(CC3CCOCC3)c2)cc1CN(C)C1CCOCC1,YMNMTAVCDPGVSV-UHFFFAOYSA-N
rxn:5:190199:223113:223061,CN(Cc1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,UBQPIURBLXKSOB-UHFFFAOYSA-N
rxn:5:190199:225622:227951,CN(Cc1cc(-c2ccc([N+](C)(C)C)cc2)ccc1-c1ccccc1OC1CCCCO1)C1CCOCC1,AMENJEXAJAAHQS-UHFFFAOYSA-N
rxn:5:190200:225620:227536,CCOc1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(OC4CCOCC4)cc3)c2)c(F)cc1F,VVJVZYJKPQKNSV-UHFFFAOYSA-N
rxn:5:190200:226427:226662,CC1CCN(c2csc(-c3cc(CN(C)C4CCOCC4)cc(-c4ccc(N5CCN(C)CC5)s4)c3)c2)CC1,ULFOYDVCNHPTRW-UHFFFAOYSA-N
rxn:5:190231:228454:227492,COc1cc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3c(OC)ncnc3C3CC3)c2OC)c(OC)nn1,VHGCTVAOJTUTKF-UHFFFAOYSA-N
rxn:5:190299:222413:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(S(N)(=O)=O)cc5C)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],PPEAWHZJVXOTQZ-UHFFFAOYSA-N
rxn:5:190299:222414:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5cc(C)ccc5S(N)(=O)=O)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],BRGHEMSBHBZEGJ-UHFFFAOYSA-N
rxn:5:190299:223295:226899,COc1ccc(-c2cncc(NS(C)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,MCTDMGZPHBYQCH-UHFFFAOYSA-N
rxn:5:190308:227936:225926,CC1CCCN(CCc2cc(-c3cccc(SC4CC4)c3)ccc2-c2ccc(S(=O)(=O)N3CCC3)cc2)C1,HXDZESSBSRQBFA-UHFFFAOYSA-N
rxn:5:190309:226901:227022,CC1CCCCN1CCc1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(CN2CCC2)cc1,PGKUGWVXBXHSLF-UHFFFAOYSA-N
rxn:5:190335:223343:225456,COc1c(-c2ccc(C3CCN(C)CC3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1ccc2c(c1)NC(=O)C2,AIHNRYWDRADUNP-UHFFFAOYSA-N
rxn:5:190335:226446:226045,COc1c(-c2ccc(C(F)(F)C(F)(F)F)nc2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C2CCOC2)nc1C,WDVCQFXNGFXALW-UHFFFAOYSA-N
rxn:5:190336:223164:227716,COc1c(-c2cc(F)c(F)c(NC3CC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cccc(F)c1OC(F)F,AXZVYWHUWQUSPY-UHFFFAOYSA-N
rxn:5:190336:223389:226778,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC)c(F)c(F)c1OC,UWIVSYHNZSYIJG-UHFFFAOYSA-N
rxn:5:190336:228136:223138,COc1c(-c2ccc(OC3CC3)nc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccnc(C2CCNCC2)c1,IFPUADSXZQHPAY-UHFFFAOYSA-N
rxn:5:190337:225942:226149,COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cnc(C(C)C)c(C(F)(F)F)c3)c2OC)cc1C(C)(C)C,HYWHIIJAWLPHES-UHFFFAOYSA-N
rxn:5:190337:228119:225832,COc1c(-c2ccc(SC(C)C)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)nn(C2CCCCO2)c1C,MIRKFDIBJONXNS-UHFFFAOYSA-N
rxn:5:190337:228202:226899,COc1c(-c2ccc(F)c(N(C)C)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],KNZCOQVNGNACMF-UHFFFAOYSA-N
rxn:5:190337:228774:226030,COc1cccc(F)c1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cc(F)c(OC)c(C(F)(F)F)c2)c1OC,YWOMNECRCUZCHI-UHFFFAOYSA-N
rxn:5:190353:226901:225939,CC(C)c1cc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2CCC(c3ccccc3)C2)cnc1C(F)(F)F,DUWYNSLTIKOFFQ-UHFFFAOYSA-N
rxn:5:190418:226886:227203,Cc1cc(-c2ccc3c(c2)OCCCO3)ccc1N1C(=O)CC(Cc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)C1=O,ANWSZTAEUFXASO-UHFFFAOYSA-N
rxn:5:190418:227046:225632,Cc1cc(OC(C)C)cc(-c2ccc(CC3CC(=O)N(c4ccc(-c5cccc(N6CCN(C)CC6)c5)cc4C)C3=O)cc2)c1,BJCPMMYWVATUOV-UHFFFAOYSA-N
rxn:5:190459:226900:227739,Cc1cc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)CCS2)cnc1C(F)(F)F,AUTXKBUXNLJCIC-UHFFFAOYSA-N
rxn:5:190484:226901:227026,N#Cc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(S(F)(F)(F)(F)F)c4)c3)CCS2(=O)=O)cc1C1CC1,SNRWMMZDJFERQL-UHFFFAOYSA-N
rxn:5:190484:227032:225589,N#Cc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(CN5CCSCC5)cc4)S(=O)(=O)CC3)c2)c1C1CC1,CNUHDEHLHBHCAL-UHFFFAOYSA-N
rxn:5:190740:223061:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,CPJWMBPXCGIXMF-UHFFFAOYSA-N
rxn:5:190740:223062:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,IELLSEMPKFYIET-UHFFFAOYSA-N
rxn:5:190740:225655:223010,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(C2(O)CCOCC2)cc1,NJKNTVSCVAABOB-UHFFFAOYSA-N
rxn:5:190740:225833:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cnc(N2CCOCC2)cc1F,LIDJPDRNKZFSSE-UHFFFAOYSA-N
rxn:5:190740:225834:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,NSTCTQIWAWUWDP-UHFFFAOYSA-N
rxn:5:190740:225834:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,MBZCTZCHIPOEIT-UHFFFAOYSA-N
rxn:5:190741:223064:225833,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PXEIFTTVJCFVKA-UHFFFAOYSA-N
rxn:5:190741:225833:225633,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PTAUCDCEJVZBRJ-UHFFFAOYSA-N
rxn:5:190741:225834:225655,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,YXRVPNTUOQOWSG-UHFFFAOYSA-N
rxn:5:190742:223062:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JOEXDZURUFTARD-UHFFFAOYSA-N
rxn:5:190742:225655:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cc(C2CCNCC2)ncc1F,KLJVUQSUNLKLFA-UHFFFAOYSA-N
rxn:5:190742:225784:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,RPZBTSVSEULAKZ-UHFFFAOYSA-N
rxn:5:190742:225834:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cc(N2CCOCC2)ncc1F,IEPJBISQTJSEOV-UHFFFAOYSA-N
rxn:5:190742:225881:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JSAPZYNXDXJIHJ-UHFFFAOYSA-N
rxn:5:190742:225976:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JDIAKVQJGZMIRG-UHFFFAOYSA-N
rxn:5:190742:225978:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,FZWWKHZUNANSOB-UHFFFAOYSA-N
rxn:5:190743:223064:225655,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,XOMQOQLEEJQILC-UHFFFAOYSA-N
rxn:5:190743:225849:225655,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,IMWFPBORNWFCQM-UHFFFAOYSA-N
rxn:5:190744:225656:225834,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,CJDUJQSOJSHNRI-UHFFFAOYSA-N
rxn:5:190744:225834:223006,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,GMRJCACSIXHRNP-UHFFFAOYSA-N
rxn:5:190744:225834:223064,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,RZWAVUOGRJNYNM-UHFFFAOYSA-N
rxn:5:190744:225834:225980,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,HDGDNUQUVCNWCM-UHFFFAOYSA-N
rxn:5:190744:225980:225980,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,TYHXYJIVUPMPEX-UHFFFAOYSA-N
rxn:5:190832:223056:226679,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1cnc(N2CCCC2)cc1F,RZOQIHSFDNUBON-UHFFFAOYSA-N
rxn:5:190832:225833:226664,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1cc(N2CCCC2)ncc1F,VSYAHYLATYCVFI-UHFFFAOYSA-N
rxn:5:190832:226663:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCSCC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,CRFIUQKCPJTZMC-UHFFFAOYSA-N
rxn:5:190833:227336:226138,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(-c2ccc(F)cc2OC(C)C)c2c1CN(C(=O)OC(C)(C)C)C2=O,PBSJQOJUOAPZRR-UHFFFAOYSA-N
rxn:5:190833:228496:228653,CC(C)(C)OC(=O)N1Cc2c(-c3cnn4c3CCCC4)ccc(-c3cnn(CC(F)(F)F)c3)c2C1=O,AHOOMFSROQLOOZ-UHFFFAOYSA-N
rxn:5:190833:228499:228653,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cnn3c2CCCC3)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,PQKJLFMJLIBPJX-UHFFFAOYSA-N
rxn:5:190833:229048:226371,Cc1cc(N2CCCC2)ncc1-c1ccc(-c2cnn3c2CCC3)c2c1CN(C(=O)OC(C)(C)C)C2=O,GDFOQFAJGWCMPQ-UHFFFAOYSA-N
rxn:5:190993:227611:223140,O=C1COc2ccc(-c3ccnn3C3CCCCO3)cc2CN1CCc1ccc(-c2ccnc(C3CCCNC3)c2)cc1,RQYDUCGMKGUKKR-UHFFFAOYSA-N
rxn:5:190998:222960:227917,CCc1ccc(OC)c(-c2ccc(N3Cc4cc(-c5cc(C)cc(C6CCNCC6)c5)ccc4OCC3=O)c(C(=O)OC)c2)c1,FOALKWVVUHFBOJ-UHFFFAOYSA-N
rxn:5:190998:223284:225616,COC(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1N1Cc2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2OCC1=O,JIIUTWDDWIGCCR-UHFFFAOYSA-N
rxn:5:190998:225980:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2OCC1=O,LWDJHRKKRWOHSW-UHFFFAOYSA-N
rxn:5:191026:223200:227107,COC(=O)C1=CN(c2ccc(C)c(-c3cc(C)cc(C4CC4)c3F)c2)c2cc(-c3ccc(C4CCNC4)cc3)ccc2S1(=O)=O,WOQMAZJBSSHEFS-UHFFFAOYSA-N
rxn:5:191026:225946:226916,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C4=CCCC4)c3)c2)c2cc(-c3cc(C(C)=O)cc(C(F)(F)F)c3)ccc2S1(=O)=O,WILXWAOJOVZSFN-UHFFFAOYSA-N
rxn:5:191026:226197:227055,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(OC)c(C4CC4)c3)c2)c2cc(-c3ccc(C4CCCOC4)cc3)ccc2S1(=O)=O,SNFCKSLADZBBED-UHFFFAOYSA-N
rxn:5:191049:226915:222995,COc1cc(N2Cc3cc(-c4ccc(C5CCCC5)cc4)ccc3OCC2=O)c(OC)cc1-c1cccc(N2CCCC(O)C2)c1,CASFUZMYLJVLDT-UHFFFAOYSA-N
rxn:5:191049:227087:227296,COc1cc(N2Cc3cc(-c4cc(C)cnc4C(C)(C)C)ccc3OCC2=O)c(OC)cc1-c1ccc(OC2CCC2)nc1,MWNJUKKMHUCUHD-UHFFFAOYSA-N
rxn:5:192565:226035:225944,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C2(C#N)CCC2)c(-c2c(F)cc(F)c(OC(C)C)c2F)c1,RZNMFIXZULUAAN-UHFFFAOYSA-N
rxn:5:192568:225623:225499,O=C(c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1cccc(OC2CCOCC2)c1)N1CCC1,NQIGUOAOYNTOQG-UHFFFAOYSA-N
rxn:5:193054:225931:225879,Cc1cc(-c2cccc(C(=O)N3CCCC3)c2-c2ccc(N3CCOCC3)cc2F)cc(S(=O)(=O)N(C)C)c1,MBQWFSKWWRBIRB-UHFFFAOYSA-N
rxn:5:193226:223061:225590,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(CN3CCCC3)c(F)c2)c1)N1CCOCC1,RQIZRFYPPMTTHH-UHFFFAOYSA-N
rxn:5:193226:225834:226794,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cnc(N3CCSCC3)nc2)c1)N1CCOCC1,KRYHEKIPTMTPJI-UHFFFAOYSA-N
rxn:5:193226:227316:225976,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccnc(N3CCOCC3)c2F)cc(F)n1,ULYIZWDOWFFEAM-UHFFFAOYSA-N
rxn:5:193229:223065:223062,O=C(c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1cnc(C2CCNCC2)cc1F)N1CCOCC1,HCPWWRLRLLARTB-UHFFFAOYSA-N
rxn:5:193229:225655:225978,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3ccc(N4CCOCC4)nc3F)c2)CC1,JLBOVBUQQUWHBY-UHFFFAOYSA-N
rxn:5:193229:225982:225834,O=C(c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,SVZDEOCGJNDAOO-UHFFFAOYSA-N
rxn:5:193229:227316:226583,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(CN3CCOCC3)s2)cc(F)n1,QBFXBGJSIILZNL-UHFFFAOYSA-N
rxn:5:193230:223061:225980,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,DBALNOUTNUERIL-UHFFFAOYSA-N
rxn:5:193230:225871:227095,O=C1CC(c2ccc(-c3cc(-c4cccc(N5C(=O)C=CC5=O)c4)ccc3C(=O)N3CCOCC3)cc2)C1,ARYDLRWXZSXAEE-UHFFFAOYSA-N
rxn:5:193329:225448:226710,Cc1ccc(OC2CCCC2)c(-c2ccnc(OC3CCCCC3)c2-c2ccc(F)c([Si](C)(C)C)c2F)c1,MBCXZUNZOSGOFW-UHFFFAOYSA-N
rxn:5:193329:226856:225932,COc1cnc(C(F)(F)F)cc1-c1ccnc(OC2CCCCC2)c1-c1ccc(N(C)C)c(C(F)(F)F)c1,MGPJMLQZOZOZTN-UHFFFAOYSA-N
rxn:5:193331:223065:225833,Fc1cc(N2CCNCC2)ccc1-c1ccc(CN2CCOCC2)c(-c2ccnc(N3CCCCC3)c2F)c1,MXTVKRYITQQOEC-UHFFFAOYSA-N
rxn:5:193331:225445:222958,Cc1ccc(-c2cc(-c3ccccc3OC3CCCCC3)ccc2CN2CCOCC2)cc1C1CCNCC1,YKWXZVPDZYPRRQ-UHFFFAOYSA-N
rxn:5:193333:225653:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1ccc(N3CCCCC3C)nc1)OCCO2,LZBIPWLMLPYUNE-UHFFFAOYSA-N
rxn:5:193337:225633:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2CN2CCOCC2)c1,ZBCLDRSTFSPZPG-UHFFFAOYSA-N
rxn:5:193382:225976:227020,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cncc(C#CC2CC2)c1)N1CCOCC1,ZQYPIVINBNNKOR-UHFFFAOYSA-N
rxn:5:193382:226411:226332,O=C(c1ccccc1-c1cc(-c2ccc(N3CCOCC3)cc2)ccc1S(=O)(=O)N1CCOCC1)N1CCC1,WWOCPLCANSWFDM-UHFFFAOYSA-N
rxn:5:193382:228193:225986,O=S1(=O)CCCN1c1ccccc1-c1cc(-c2cnn(C3CCCC3)c2)ccc1S(=O)(=O)N1CCOCC1,GSKVIIVJZAMGRH-UHFFFAOYSA-N
rxn:5:193463:226837:228100,CCCn1nc(C)c(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)ccc2CN2CCC(=O)CC2)c1C,KEUNQWVTALWFOG-UHFFFAOYSA-N
rxn:5:193463:228498:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn(C)nc2C(F)(F)F)ccc1CN1CCC(=O)CC1,PVXGKRRJUOVMEG-UHFFFAOYSA-N
rxn:5:193465:225436:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc(CN2CCCCC2)cc1,UEPIAUKEWHFFHG-QFIPXVFZSA-N
rxn:5:193465:225456:227768,C[C@H]1CCCN1C(=O)c1cccc(-c2cccn2S(=O)(=O)N(C)C)c1-c1ccc(C2CCN(C)CC2)cc1,SUKWQIRSMIUNEM-QFIPXVFZSA-N
rxn:5:193465:225820:226319,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1c(C2CC2)cccc1C(F)(F)F,ZMYMRMSOOKCBAL-FQEVSTJZSA-N
rxn:5:193465:226046:226966,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)c1-c1ccnc(C(F)(F)C(F)(F)F)c1,FLPSHNXZZLDQNJ-KRWDZBQOSA-N
rxn:5:193465:226158:226899,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1ccccc1N1CCCCC1,KQSIUKFQNZWSIL-FQEVSTJZSA-N
rxn:5:193465:226901:226069,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(C3CCCCC3)c2)c1-c1cccc(S(F)(F)(F)(F)F)c1,ANFJGODESMEYKN-NRFANRHFSA-N
rxn:5:193465:227761:225987,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1-c1ccc(F)cc1C(F)(F)F,CYUYYKFGHGZTIM-SFHVURJKSA-N
rxn:5:193467:225815:226319,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1ccc(C2CC2)cc1C(F)(F)F,RXZPFPBKIKBMPD-FQEVSTJZSA-N
rxn:5:193467:226041:226899,C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,VNFRTTIWPYWWKR-AWEZNQCLSA-N
rxn:5:193467:226042:227451,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CC3(F)F)cc2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,JSJIOVYAXFRDTR-YPHZTSLFSA-N
rxn:5:193467:226332:227804,C[C@H]1CCCN1C(=O)c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1-c1ccccc1C(=O)N1CCC1,XZELOHOPUOVGBL-INIZCTEOSA-N
rxn:5:193467:226872:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1cc(F)ccc1OC(F)(F)F,AHAAPKSBFYKZEJ-SFHVURJKSA-N
rxn:5:193467:227063:225672,Cc1ccc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2C(=O)N2CCC[C@@H]2C)c(OC(C)C)c1,FWURXZYMJUMHNG-QHCPKHFHSA-N
rxn:5:193468:225445:227746,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2OC2CCCCC2)cccc1-c1cccc(C(F)(F)F)c1F,KJQPHJOQTIWHMI-FQEVSTJZSA-N
rxn:5:193506:223438:226652,Cc1cc(-c2cc(-c3cn[nH]c3C(F)(F)F)ccc2S(=O)(=O)N2CCC(=O)CC2)n(C2CCCCO2)n1,WMNKGVBDUMFBHO-UHFFFAOYSA-N
rxn:5:193506:225926:228707,CC(C)(C)n1cc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,KEDKBSCFMJOAMS-UHFFFAOYSA-N
rxn:5:193506:226197:228501,Cn1ncc(-c2cc(-c3ccc(C4CCCOC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,ZJGZQHJDFKGSIW-UHFFFAOYSA-N
rxn:5:193506:226415:228872,COC(=O)c1sccc1-c1cc(-c2ccccc2N2CCOCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,UVIKTTNVSLEGDE-UHFFFAOYSA-N
rxn:5:193506:226415:228974,CS(=O)(=O)n1cc(-c2cc(-c3ccccc3N3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,QIYFBSBDCOKQTQ-UHFFFAOYSA-N
rxn:5:193506:226774:223347,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2-c2cccc3c2CNC3=O)CC1,PNVJEBWRKNGGRG-UHFFFAOYSA-N
rxn:5:193506:226915:227804,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCC4)cc3)cc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])CC1,PAZXNUFHTSHVBS-UHFFFAOYSA-N
rxn:5:193506:227203:226739,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],PKKBYLYQSREMEI-UHFFFAOYSA-N
rxn:5:193506:227385:227691,COc1cc(-c2cc(-c3cnc(C(C)(C)C)nc3C)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1[N+](=O)[O-],HXSVXXFPZMYOHA-UHFFFAOYSA-N
rxn:5:193506:227386:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,LUZUOLMZJOSJGW-UHFFFAOYSA-N
rxn:5:193506:227556:227073,COc1cc(-c2cc(-c3cc(OC)c(F)c(OC)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C2CC2)c1,RBCYXUXPLVEDTL-UHFFFAOYSA-N
rxn:5:193506:227766:227861,CCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc3c(c2)CCCC3)c1,DLWUQPAHKQBPSV-UHFFFAOYSA-N
rxn:5:193506:227901:223147,CC(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CNCCO4)cc3)c2)cn1,NAXLOFNIHDCLPJ-UHFFFAOYSA-N
rxn:5:193506:228066:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2ccc3c(c2)OCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,OZIUDFNDPWDMOV-UHFFFAOYSA-N
rxn:5:193506:228349:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnn(C3CCOC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,BRIBBOARPZLLHG-UHFFFAOYSA-N
rxn:5:193506:228455:223186,COc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCCO4)c3)c2)c(OC)n1,NPJHBDQJQBEECX-UHFFFAOYSA-N
rxn:5:193506:228524:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnc3c(c2)CCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,VEXTXQUXHSLXGZ-UHFFFAOYSA-N
rxn:5:193506:228653:226852,COc1ncc(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C(F)(F)F,QJYZNOPPDIQLLF-UHFFFAOYSA-N
rxn:5:193506:228710:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnc(C(C)C)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,HKEVAWMBDHKBEY-UHFFFAOYSA-N
rxn:5:193506:228974:226685,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCOCC4)nc3)c2)cn1,CUPSTJNMDVDSNX-UHFFFAOYSA-N
rxn:5:193506:229061:226836,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cn(C(C)C)nc3C(F)(F)F)c2)cn1,YTGRDXIVLCOONG-UHFFFAOYSA-N
rxn:5:193653:226041:227804,O=C1OC(c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2)=NC1=Cc1ccc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1,MAOWHZFLUFKJFG-UHFFFAOYSA-N
rxn:5:193681:223010:227338,CC(C)Oc1ccc(F)c(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2OC2CCN(C)CC2)c1,OZTQSVIDYPPUMA-UHFFFAOYSA-N
rxn:5:193681:225976:225806,CN1CCC(Oc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2cnc(OC3CCCC3)cc2F)CC1,KLBSRMCIYBZJJH-UHFFFAOYSA-N
rxn:5:193710:226040:223295,Cc1c(-c2cccc(N3C(=O)C(=Cc4ccc(-c5cncc(NS(C)(=O)=O)c5)cc4)SC3=S)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],JXBFDYXFDDOPMJ-UHFFFAOYSA-N
rxn:5:193711:226572:225808,O=C1C(=Cc2ccccc2-c2cc(OC3CCCC3)ncc2F)SC(=S)N1c1ccc(-c2cnc(OC3CCCC3)nc2)cc1,TTWFQOQFAVMUAX-UHFFFAOYSA-N
rxn:5:193751:223264:225633,CNC(=O)c1cc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2C(=O)N2CCCC(C)C2)ccc1F,XRPPHFCOSRVOAJ-UHFFFAOYSA-N
rxn:5:193754:223341:226031,CC1CCN(C(=O)c2cccc(-c3ccc4c(c3)CC(=O)N4)c2-c2ccc(C(F)(F)F)cc2C(F)F)CC1,JHJPNNMPAYAUFW-UHFFFAOYSA-N
rxn:5:193754:226835:228653,CC1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)nn3C(C)C)c2-c2cnn3c2CCCC3)CC1,VFKREEZDUCVASU-UHFFFAOYSA-N
rxn:5:193755:222986:228970,Cc1cc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2ccc(C(F)(F)F)s2)cc(C2CCCNC2)n1,ZOYPZZJMGDUCCR-UHFFFAOYSA-N
rxn:5:193755:227071:226133,COCc1cc(C)c(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2cc(C3CC3)cc(C#N)c2C)c(C)c1,OATUFKCCDCRGAD-UHFFFAOYSA-N
rxn:5:193807:223010:227761,CC1CCN(Cc2cccc(-c3ccc(F)cc3C(F)(F)F)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,ZZTIWEWTQARRIM-UHFFFAOYSA-N
rxn:5:193808:226190:223064,CC1CCN(Cc2cc(-c3ccc(C4CCCC4)cc3F)ccc2-c2ccc(C3CCNCC3)nc2F)CC1,TYYVNJLHHOEHJP-UHFFFAOYSA-N
rxn:5:193808:226900:225985,CC1CCN(Cc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2cccc(N3CCCS3(=O)=O)c2)CC1,RGWPNIRYMKWXDP-UHFFFAOYSA-N
rxn:5:193866:227412:227386,CC(C)(C)c1cc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cnn(C3CCCCC3)c2)cn1,PGEQNHYZYPBIJU-UHFFFAOYSA-N
rxn:5:193866:227530:225472,COC(=O)c1ccc(F)c(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cccc(N3CCCCC3C)c2)c1,KIRQHRQNDAUUCI-UHFFFAOYSA-N
rxn:5:193867:226038:228566,COc1cc(C(F)(F)F)c(F)cc1-c1cc(-c2ccsc2CC(C)C)cc(C2(N3CCC(=O)CC3)CC2)c1,OERZAULKGMKGJE-UHFFFAOYSA-N
rxn:5:193868:226838:228348,CC1CN(C(=O)c2cc(-c3cnc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(N(C)C)nc2F)CC(C)O1,OKTSPLYWEDINFG-UHFFFAOYSA-N
rxn:5:193869:225810:226190,COc1ccc(-c2cc(C)c(-c3ccc(C4CCCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)c(C2OCCO2)c1,RIORTLALZIWQCO-UHFFFAOYSA-N
rxn:5:193870:223389:227497,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC(C)C)nc2C)cc1-c1c(C)n[nH]c1C(F)(F)F,OVIYBJPWNXOUPJ-UHFFFAOYSA-N
rxn:5:193870:225684:222959,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)c(C)c2)cc1-c1ccc(C2CCOCC2)nc1C,DUYFBTXDVLJNGF-UHFFFAOYSA-N
rxn:5:193870:226762:228401,COc1c(F)ccc(F)c1-c1cc(-c2cc(SC)cc(C(F)(F)F)c2)c(C)cc1S(=O)(=O)N1CCCCC1,SYWIGKWNOPMDBV-UHFFFAOYSA-N
rxn:5:193892:227076:225407,CCC(C)c1ccc(F)c(-c2ccc(N3C(=O)CSC(c4ccc(-c5ccc(C6CCCCCC6)cc5)cc4)C3=O)cc2)c1,MCOSZSQQHPOPRK-UHFFFAOYSA-N
rxn:5:193912:223058:225598,O=C1CS(=O)C(c2ccc(-c3cccc(CN4CCSCC4)c3)cc2)C(=O)N1c1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1,QCTMDNIKYLYVIX-UHFFFAOYSA-N
rxn:5:193912:227203:226901,O=C1CS(=O)C(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2ccc3c(c2)OCCCO3)cc1,MJXOBFRXCGSURC-UHFFFAOYSA-N
rxn:5:193932:226138:225498,Cc1cc(C#N)cc(C2CC2)c1-c1cc(C(=O)N2CC(C)CC(C)C2)ccc1-c1cc(C2CCCCC2)ccc1F,ZMPPJZJYDYVRFV-UHFFFAOYSA-N
rxn:5:193932:226772:226946,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccc3c(c2)CCN(C)C3)c(F)c1,AZVHMVAIFGWGSM-UHFFFAOYSA-N
rxn:5:193967:225874:228259,COc1cc(C)cc(-c2cc(-c3ccc(F)c(N4CCOCC4)c3)ccc2CN2CCC3(CC2)OCCO3)c1F,ZBEJFOAFCIVKQJ-UHFFFAOYSA-N
rxn:5:193967:226422:227942,CCc1ccc(-c2cc(-c3cc(F)ccc3N3CCCC3)ccc2CN2CCC3(CC2)OCCO3)c(OC)c1,FFNWTZSQGOIPCD-UHFFFAOYSA-N
rxn:5:193967:227320:226338,COc1cccc(N(C)C)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccnc(OC3CCCC3)c2)c1,UVVHFZKLRMRCEZ-UHFFFAOYSA-N
rxn:5:193967:227364:227125,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccccc3C3CCOC3)c2)c(OC)c1C,AMLPXUCXOPUDRY-UHFFFAOYSA-N
rxn:5:193967:227922:225598,CCc1cc(OC)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cccc(CN3CCSCC3)c2)c1,IHRMMBRWWZYYCL-UHFFFAOYSA-N
rxn:5:193967:227942:227403,CCc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(N4CCCCC4)s3)c2)c(OC)c1,YYWYUVZEUCPLRD-UHFFFAOYSA-N
rxn:5:193967:228186:226679,COc1c(SC)cccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cnc(N3CCCC3)cc2F)c1,ULIIPZOVHGOLGA-UHFFFAOYSA-N
rxn:5:193967:228680:226837,CCCn1nc(C)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,PNTCTAWICVSVEG-UHFFFAOYSA-N
rxn:5:193967:228778:225623,COc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc(OC4CCOCC4)c3)c2)c1F,XGOLMEGADDENCR-UHFFFAOYSA-N
rxn:5:193967:228778:225625,COc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(OC4CCCC4)ccc3F)c2)c1F,PLLCQHBLAFQMLI-UHFFFAOYSA-N
rxn:5:193968:223389:228867,CCc1nc(OC)c(-c2ccc(-c3c(C)n[nH]c3C(F)(F)F)cc2CN2CCC3(CC2)OCCO3)s1,MNSZLLTYZALFPV-UHFFFAOYSA-N
rxn:5:193968:225620:228927,COc1nccc(F)c1-c1ccc(-c2ccc(OC3CCOCC3)cc2)cc1CN1CCC2(CC1)OCCO2,GRBLRUSPTPWLHK-UHFFFAOYSA-N
rxn:5:193968:226132:228897,COc1ncc(F)cc1-c1ccc(-c2ccc(C3(C#N)CC3)cc2C)cc1CN1CCC2(CC1)OCCO2,SYCXFUYZLOVUMR-UHFFFAOYSA-N
rxn:5:193968:226145:227588,COc1cc(F)cc(OC)c1-c1ccc(-c2ccc(OC3CCCC3)cc2)cc1CN1CCC2(CC1)OCCO2,HQQSXTZMEQDTKN-UHFFFAOYSA-N
rxn:5:193968:227588:223007,COc1cc(F)cc(OC)c1-c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(CN2CCC3(CC2)OCCO3)c1,ULAIBWKFUARKHA-UHFFFAOYSA-N
rxn:5:193968:228866:228502,COCc1noc(C)c1-c1ccc(-c2nn(C)cc2C(F)(F)F)c(CN2CCC3(CC2)OCCO3)c1,WHTFAKDKQUTUMY-UHFFFAOYSA-N
rxn:5:193972:223294:228653,Cc1cc(-c2csc(N3CCNCC3)n2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCCC2,LGLUAHRBGLWZNP-UHFFFAOYSA-N
rxn:5:193972:223384:225935,CNC(=O)c1ccc(-c2cc(C)c(-c3cc(C(C)C)nc(C(F)(F)F)c3)cc2S(=O)(=O)N2CCCCCC2)cn1,DCAFJOPGLCIPFV-UHFFFAOYSA-N
rxn:5:193972:225832:229049,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc2n1CCC2,DREUIZUNEOSISR-UHFFFAOYSA-N
rxn:5:193972:225988:225446,Cc1cc(OC2CCCC2)cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(F)cc(C4OCCO4)cc3F)cc2C)c1,JDAZOXCIAHCCNO-UHFFFAOYSA-N
rxn:5:193972:227412:223010,Cc1cc(-c2cnc(C(C)(C)C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2(O)CCOCC2)cc1,IXIDDSMTLPFBJW-UHFFFAOYSA-N
rxn:5:194058:226837:225832,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1c(C)nn(C2CCCCO2)c1C,YYFWEIHZZRJCGU-UHFFFAOYSA-M
rxn:5:194397:226884:226900,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1c(F)cc(C(F)(F)F)cc1F)N1CC2CC2C1,MLRTYYBNDDDLGR-UHFFFAOYSA-N
rxn:5:194399:222991:226901,O=C(c1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CC2CC2C1,GJPNTCHLBLPBJP-UHFFFAOYSA-N
rxn:5:194399:225811:226045,O=C(c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1)N1CC2CC2C1,JYTJZECQHDJLBX-UHFFFAOYSA-N
rxn:5:194561:225454:227590,CN1CC=C(c2ccc(-c3ccc(-c4ccc(CC(F)(F)F)cc4)c(C(=O)N4C5CCC4COC5)c3)cc2)CC1,DALZMUBMXNJIAX-UHFFFAOYSA-N
rxn:5:194561:227745:226901,O=C(c1cc(-c2ccc(C(F)(F)F)c(F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1COC2,ZEWZIVPZUCVNFE-UHFFFAOYSA-N
rxn:5:194575:227803:226425,CC1CCCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccnn2S(=O)(=O)N(C)C)C3)s1,YJUOBNNMTSVBCV-UHFFFAOYSA-N
rxn:5:194660:225470:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2Cc3cc(-c4ccc(N5CCC(C)CC5)cc4)ccc3OCC2=O)cc1,MOSXLBPNUXCERC-UHFFFAOYSA-N
rxn:5:194733:226900:225489,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cc(F)cc(-c2ccccc2)c1)N1C2CCC1CC(=C1CC1)C2,JMAMEBZTRBWMNE-UHFFFAOYSA-N
rxn:5:194733:226901:226976,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1c(F)ccc2ccccc12)N1C2CCC1CC(=C1CC1)C2,LFJJVUDZYWEZIP-UHFFFAOYSA-N
rxn:5:194733:227672:227829,Cc1cccc(-c2ccc(-c3ccccc3C3CCC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1C(F)(F)F,OTCFGSFEKNTSQA-UHFFFAOYSA-N
rxn:5:194733:227894:227673,CC(F)(F)c1cccc(-c2ccc(-c3cccc(/C=C/C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,FLCQMTOUKCXNSC-GQCTYLIASA-N
rxn:5:194733:228510:227659,Cc1c(-c2ccc(-c3ccccc3C(C)C)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cccc1C(F)(F)F,QIBAZZZGYFEIJH-UHFFFAOYSA-N
rxn:5:194733:228644:227895,Cc1cc(-c2ccc(-c3ccc(C=CC#N)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc(C)c1F,SAPJXEMUTJJPBR-UHFFFAOYSA-N
rxn:5:194733:229218:226900,O=C(c1cc(-c2cccc(F)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,POYVPXULEYHSED-UHFFFAOYSA-N
rxn:5:194767:223062:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(C5CCNCC5)cc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,ACCOUOGIFMLTBK-UHFFFAOYSA-N
rxn:5:194767:225636:226203,CC1CCN(c2cc(-c3ccc(-c4ccc5c(cnn5C5CC5)c4)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)ccn2)CC1,NXXHZPVNPFPSHE-UHFFFAOYSA-N
rxn:5:194767:226469:228357,COc1nc(C)c(-c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(C)n1,CZKFTFSSYARWHE-UHFFFAOYSA-N
rxn:5:194767:226664:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCC5)ncc4F)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,HIIAKRHMAHYWGG-UHFFFAOYSA-N
rxn:5:194767:226679:226366,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3ccnc(N4CCCCC4)c3)C2)c2ccccc21,DBKWCSKOOIOOBK-UHFFFAOYSA-N
rxn:5:194791:223010:226679,O=C1C2C(c3ccc(-c4cnc(N5CCCC5)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(C2(O)CCOCC2)cc1,WEZATOVYOBPBKN-UHFFFAOYSA-N
rxn:5:194791:226903:227495,CCN(C)c1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5c(C)ccc6ccccc56)C(=O)C34)cc2)c(F)cn1,JRWJCVDBBUAXTE-UHFFFAOYSA-N
rxn:5:194792:226754:226317,CCOc1c(F)cc(F)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(Cn7cccn7)cc6)cc5)C(=O)C34)cc2)c1F,CFTYMAVPFQQZED-UHFFFAOYSA-N
rxn:5:196198:222992:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(N3CCCCC3O)cc2)c1,ZBGGWVXGDLLBSF-UHFFFAOYSA-N
rxn:5:196198:225871:227103,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2sccc2C2CCCCC2)c1,XZYOAMRVOYPNMN-UHFFFAOYSA-N
rxn:5:196408:225802:225928,Cc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(OC4CCCC4)nc3F)c2)cc1S(=O)(=O)N(C)C,BJQVXPFOOVSEHC-UHFFFAOYSA-N
rxn:5:196408:225802:225929,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(OC4CCCC4)nc3F)c2)ccc1S(=O)(=O)N(C)C,AGICMEAFGWKHHZ-UHFFFAOYSA-N
rxn:5:196408:225802:225931,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(OC4CCCC4)nc3F)c2)cc(S(=O)(=O)N(C)C)c1,YMCFENICTDSZGI-UHFFFAOYSA-N
rxn:5:196533:225584:226900,O=C(c1ccc(-c2ccc(N3C(=O)CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3=O)cc2)cc1)N1CCCC1,OLCZSKNQRNRXNN-UHFFFAOYSA-N
rxn:5:196533:226186:225871,O=C1C=CC(=O)N1c1cccc(C2CC(=O)N(c3ccc(-c4ccccc4C4CCOCC4)cc3)C2=O)c1,PRNYCXIVMRGRFE-UHFFFAOYSA-N
rxn:5:196533:226187:225943,O=C(c1ccc(C2CC(=O)N(c3ccc(-c4cccc(C5CCOCC5)c4)cc3)C2=O)s1)N1CCOCC1,GIWPXOAJAMSBPR-UHFFFAOYSA-N
rxn:5:196619:225986:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(N2CCCC2=O)ccc1-c1ccccc1N1CCCS1(=O)=O,JUCURRRCAADWHX-UHFFFAOYSA-N
rxn:5:196791:225655:223065,CC1CCN(c2cncc(-c3cccc(N4CCOCC4=O)c3-c3ccc(N4CCNCC4)cc3F)c2)CC1,SHWYTMHCOPVGOI-UHFFFAOYSA-N
rxn:5:196792:225683:226452,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(C3OCCCO3)cc2)cc1N1CCOCC1=O,IUWBURCNUWJFKH-UHFFFAOYSA-N
rxn:5:196794:225833:226679,O=C1COCCN1c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1cnc(N2CCCC2)cc1F,QEXHJGUHSNLDEC-UHFFFAOYSA-N
rxn:5:196916:226837:226835,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1N1CCCCC1=O,DFWVJINGWWOUDF-UHFFFAOYSA-N
rxn:5:196916:226900:226427,CC1CCN(c2csc(-c3ccc(N4CCCCC4=O)c(-c4ccc(S(F)(F)(F)(F)F)cc4)c3)c2)CC1,QZSYHJZJDMYWKZ-UHFFFAOYSA-N
rxn:5:196917:226598:225831,Cc1cc(-c2ccc(-c3cc(OC(C)C)c(F)cc3F)c(C3=NC(C)(C)CO3)c2)cnc1N1CCOCC1,ROPJUERUTKKRCK-UHFFFAOYSA-N
rxn:5:196918:222991:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2ccc(N3CCCC(O)C3)cc2)cccc1N1CCCCC1=O,AHVVYLGSETUQJN-UHFFFAOYSA-N
rxn:5:196919:225661:226037,COc1c(C(F)(F)F)ccc(-c2cc(-c3ccc(N4CCOCC4)cc3C)ccc2C2=NC(C)(C)CO2)c1F,LHOSPQHQLFISMO-UHFFFAOYSA-N
rxn:5:196977:225655:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(N2CCCCC2)ccc1-c1cncc(N2CCC(C)CC2)c1,JAIFFELDUTWHLI-UHFFFAOYSA-N
rxn:5:197876:223389:228501,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1cnn(C)c1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,GZTXBHOLJOVMKU-UHFFFAOYSA-N
rxn:5:197876:227302:227680,Cc1cc(-c2cc3c(cc2-c2cccc4c2OC(F)(F)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cnc1OC(C)C,CXCPMPCZASYDCP-UHFFFAOYSA-N
rxn:5:197876:228683:226038,CCCc1ncc(-c2cc3c(cc2-c2cc(F)c(C(F)(F)F)cc2OC)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,GKADSCFLDDNJHS-UHFFFAOYSA-N
rxn:5:226900:193753:227745,CC1CCCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)c(F)c2)c1,BOTHIZFWGPGRLG-UHFFFAOYSA-N
rxn:4:173340:222524,CCOC(=O)CC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(C(F)(F)F)c1,XBLBULASBFNMBC-UHFFFAOYSA-N
rxn:4:173390:223842,COCCCOc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1C(C)=O,ZNPGILYPUVONAA-UHFFFAOYSA-N
rxn:4:173747:223712,CCOC(=O)COc1ccc(F)cc1-c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1,DTGGFPKCZLLBFD-UHFFFAOYSA-N
rxn:4:173796:223572,COC(=O)c1cc(F)c(OCC(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c1,JKYFZOLRPZUVMT-UHFFFAOYSA-N
rxn:4:173860:223941,CCCOc1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,HGMUYDXQDAZLLR-UHFFFAOYSA-N
rxn:4:173865:223504,COCCOc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,DEUQLTWVGSNYCL-UHFFFAOYSA-N
rxn:4:174004:223761,CCOC(=O)c1cc(OCC)c(F)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,BPQRMDWXKOEPQK-UHFFFAOYSA-N
rxn:4:174149:224371,COC(=O)C1CCN(c2ncc(-c3cc(Cl)ccc3OCC(=O)OC(C)(C)C)cn2)CC1,MSCPOYBJKRWIKP-UHFFFAOYSA-N
rxn:4:174161:222542,COC(=O)c1cc(F)c(OCC(C)C)cc1-c1ccc(C)c(OCCCN2CCNCC2)c1,MAAOXMBXFJRUET-UHFFFAOYSA-N
rxn:4:174378:224426,COc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1OCCC1OCCCO1,VKVWICVHUKPESG-UHFFFAOYSA-N
rxn:4:174406:222856,COC(=O)C1(c2ccc(-c3cc(C4CCNCC4)ccc3OC)cc2)CC(OC)(OC)C1,VQCOZZVLZNZOGJ-UHFFFAOYSA-N
rxn:4:174406:222857,COC(=O)C1(c2ccc(-c3cc(OC)cc(C4CCNCC4)c3)cc2)CC(OC)(OC)C1,VBTPCVBSMRXWQQ-UHFFFAOYSA-N
rxn:4:174406:222950,CONS(=O)(=O)c1cc(-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)ccc1OC,HHPFOQNNNNAOHB-UHFFFAOYSA-N
rxn:4:174406:224552,COC(=O)C1(c2ccc(-c3cc(F)cc(COC4CCCCC4)c3)cc2)CC(OC)(OC)C1,NQZYUECPXJIZCW-UHFFFAOYSA-N
rxn:4:174406:224596,COC(=O)C1(c2ccc(-c3ccc(N4CCCCC4C)cc3OC)cc2)CC(OC)(OC)C1,MDERNACSHBSUSB-UHFFFAOYSA-N
rxn:4:174406:224874,COC(=O)C1(c2ccc(-c3cccc(COC4CCCCC4)c3)cc2)CC(OC)(OC)C1,VJJXDASAVUUVLT-UHFFFAOYSA-N
rxn:4:174406:224878,COC(=O)C1(c2ccc(-c3ccccc3COC3CCCCC3)cc2)CC(OC)(OC)C1,ZHINXBUXWJVAPA-UHFFFAOYSA-N
rxn:4:174406:225035,COC(=O)C1(c2ccc(-c3cc(F)ccc3OC3CCCCC3)cc2)CC(OC)(OC)C1,BOCLZWSVOOPZRC-UHFFFAOYSA-N
rxn:4:174406:225043,COC(=O)C1(c2ccc(-c3ccc(OC4CCCCC4)c(F)c3)cc2)CC(OC)(OC)C1,BPCURPAQWAJTSV-UHFFFAOYSA-N
rxn:4:174407:222856,COC(=O)C1(c2cccc(-c3cc(C4CCNCC4)ccc3OC)c2)CC(OC)(OC)C1,IYRKYWDCVLEORV-UHFFFAOYSA-N
rxn:4:174407:222857,COC(=O)C1(c2cccc(-c3cc(OC)cc(C4CCNCC4)c3)c2)CC(OC)(OC)C1,UGIVAYFUAHJSGA-UHFFFAOYSA-N
rxn:4:174407:224552,COC(=O)C1(c2cccc(-c3cc(F)cc(COC4CCCCC4)c3)c2)CC(OC)(OC)C1,RZXYNVIPYJFQHZ-UHFFFAOYSA-N
rxn:4:174407:224596,COC(=O)C1(c2cccc(-c3ccc(N4CCCCC4C)cc3OC)c2)CC(OC)(OC)C1,JKCVUUXLPOZEAS-UHFFFAOYSA-N
rxn:4:174407:224874,COC(=O)C1(c2cccc(-c3cccc(COC4CCCCC4)c3)c2)CC(OC)(OC)C1,HYPODVFXSMOVLL-UHFFFAOYSA-N
rxn:4:174407:224877,COC(=O)C1(c2cccc(-c3ccc(COC4CCCCC4)cc3)c2)CC(OC)(OC)C1,RNEINAKZUKTZNZ-UHFFFAOYSA-N
rxn:4:174407:224878,COC(=O)C1(c2cccc(-c3ccccc3COC3CCCCC3)c2)CC(OC)(OC)C1,QYHPVLOWYJMGJO-UHFFFAOYSA-N
rxn:4:174407:225035,COC(=O)C1(c2cccc(-c3cc(F)ccc3OC3CCCCC3)c2)CC(OC)(OC)C1,NVVKSDKKIDSLOS-UHFFFAOYSA-N
rxn:4:174407:225043,COC(=O)C1(c2cccc(-c3ccc(OC4CCCCC4)c(F)c3)c2)CC(OC)(OC)C1,AEIPCQNSFFGEMD-UHFFFAOYSA-N
rxn:4:174469:224599,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc(C(=O)C3CCCCC3)ccc2F)cc1F,IOAIFLIOLICZMM-UHFFFAOYSA-N
rxn:4:174483:224752,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1CO[Si](C)(C)C(C)(C)C,HJXNCQBBMJXEBH-UHFFFAOYSA-N
rxn:4:174519:224811,O=[N+]([O-])c1cc(-c2cc(F)c(OC3CCC(OCc4ccccc4)CC3)c(F)c2)ccc1N1CCOCC1,MXAHQISCZMRYDP-UHFFFAOYSA-N
rxn:4:174663:226076,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c2ccccc2c1,UEKOKPWIHLRFDR-AKQGLDRWSA-N
rxn:4:174663:226942,Cc1cc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccc2cn1,PAUIXKKBJMPTKU-OTLVMJKUSA-N
rxn:4:174663:227252,CCCOc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1Cl,SXZRARAODOOHEB-LQTLMSLGSA-N
rxn:4:174663:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,WHQYKQHXYWMIIB-PDMVVSJHSA-N
rxn:4:174663:228653,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnn3c2CCCC3)cc1,YMVJYGIWSIBSLJ-LWMYCZQRSA-N
rxn:4:174814:223712,CCOC(=O)C(=O)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1F,DTGGNCZPYNQUOU-UHFFFAOYSA-N
rxn:4:174898:223809,COC(=O)c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1C(=O)OC,GMAHFVMCHKEUBT-UHFFFAOYSA-N
rxn:4:174925:222524,CCOC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc(C(F)(F)F)c1,VGVIIHIHJMRROT-UHFFFAOYSA-N
rxn:4:175068:223696,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(OC)c1F,NUTQTVUWHIHUDH-UHFFFAOYSA-N
rxn:4:175079:223597,CCOc1cc(C(=O)OC)c(F)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,NKGREBIVORTLFQ-UHFFFAOYSA-N
rxn:4:175089:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)c2)C1,QJVHQAHTSNOWTI-UHFFFAOYSA-N
rxn:4:175789:223526,COC(=O)c1ccccc1-c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C(F)(F)F,GLWBZLKCCBKRFR-UHFFFAOYSA-N
rxn:4:175966:223753,COC(=O)c1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)ccc1S(=O)(=O)c1ccccc1C,MSIXYWKNJQHXRE-UHFFFAOYSA-N
rxn:4:176119:223596,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2F)cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,TVKQARDAYUWCEO-UHFFFAOYSA-N
rxn:4:176127:223660,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,PSRIDMNOLDAWKK-UHFFFAOYSA-N
rxn:4:176731:223505,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1C(F)(F)F,GAVKIFRQVNVZEF-UHFFFAOYSA-N
rxn:4:176731:223536,COC(=O)c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1C(F)(F)F,OTFZZXCLGLDXRL-UHFFFAOYSA-N
rxn:4:176929:223753,COC(=O)c1cc(F)c(F)c(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1OC,VZOMEJAUYDXTOF-UHFFFAOYSA-N
rxn:4:177199:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(F)c3C(=O)CC3CC3)c(Cl)c2)CC1,YBACLUISBJVRNU-UHFFFAOYSA-N
rxn:4:177737:223648,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1,QFOHOQXXAWEKLM-UHFFFAOYSA-N
rxn:4:177805:223574,CCCOc1cc(C)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,CLRGCWQKPOMKBF-UHFFFAOYSA-N
rxn:4:178069:223490,Cc1ccccc1-c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC(F)(F)F,HHGQVYUQGGIWOX-UHFFFAOYSA-N
rxn:4:178124:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC)c(OC2CCCC2)c1F,RSDZBEJYRWRUMX-UHFFFAOYSA-N
rxn:4:178384:225242,Fc1ccc(-c2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cnc2Cl)cc1,WYDZSAFVVITUMU-UHFFFAOYSA-N
rxn:4:178397:223526,CCOC(=O)c1cc2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2s1,RREFNGZNTBTTHH-UHFFFAOYSA-N
rxn:4:178497:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(OC)c(S(=O)(=O)C23CC(C2)C3)c1,TWWGDFSPNKSENO-UHFFFAOYSA-N
rxn:4:178588:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc2c(c1)CCC(O[Si](C)(C)C(C)(C)C)C2,HHJOJKHRRCBPIL-UHFFFAOYSA-N
rxn:4:178594:222999,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cc(Cl)cc(C2CCCNC2)c1,FYFOAKUKYVOUGJ-UHFFFAOYSA-N
rxn:4:178598:222605,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)c1,VDEKZZAOBQSSOV-UHFFFAOYSA-N
rxn:4:178598:222634,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1,PHQILWIEWMWUEA-UHFFFAOYSA-N
rxn:4:178598:222820,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)c1,ZRHMSTUBDWQPEP-UHFFFAOYSA-N
rxn:4:178598:224494,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CCOC3CCCCO3)cc2)c1,PNKGAZSYCQAJDV-UHFFFAOYSA-N
rxn:4:178598:224552,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)cc(COC3CCCCC3)c2)c1,BZURRZUTDTYQRC-UHFFFAOYSA-N
rxn:4:178598:224874,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cccc(COC3CCCCC3)c2)c1,SAIXXSZPLPCCCJ-UHFFFAOYSA-N
rxn:4:178598:224877,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(COC3CCCCC3)cc2)c1,QFUDTAKOLQHGIC-UHFFFAOYSA-N
rxn:4:178598:224878,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2COC2CCCCC2)c1,JRNZMFXSFJHZDV-UHFFFAOYSA-N
rxn:4:178598:224962,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2COC2CCOCC2)c1,KUSKSHJLNIDZCR-UHFFFAOYSA-N
rxn:4:178598:224963,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cccc(COC3CCOCC3)c2)c1,DDSJCFWMTHRRSP-UHFFFAOYSA-N
rxn:4:178598:224964,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(COC3CCOCC3)cc2)c1,GXGZPQXHEHVNLA-UHFFFAOYSA-N
rxn:4:178598:225262,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(C(=O)N(C)OC)cc2OC)c1,HFQNSBFQOLLNND-UHFFFAOYSA-N
rxn:4:178598:225346,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1,IYGRGPXNEWNKOW-UHFFFAOYSA-N
rxn:4:179611:223489,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1S(C)(=O)=O,NPLBHAIIJQAYPY-UHFFFAOYSA-N
rxn:4:179653:224022,FS(F)(F)(F)(F)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(S(F)(F)(F)(F)F)c1,HJQVDJIMLRBAAD-UHFFFAOYSA-N
rxn:4:179700:223522,COC1(c2cccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)CC1,HEFXFCKQDQMBCA-UHFFFAOYSA-N
rxn:4:180085:223522,COC1(c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)CCC1,HIOCQQBKZZLALK-UHFFFAOYSA-N
rxn:4:180284:223529,CC1C(=O)CCC1Sc1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MWYCRTJNGAEXKY-UHFFFAOYSA-N
rxn:4:181262:223591,CC(=O)c1c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc(F)c(F)c1F,ADDHYHIDGZUGRW-UHFFFAOYSA-N
rxn:4:182087:223576,Cc1cc(C2CCOCC2)ccc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,VKMWGFJBQOJQPR-UHFFFAOYSA-N
rxn:4:182090:222795,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(NC(=O)N4CCOCC4)cc3)cc2)C(=O)O1,UASWNWVNEUTFTP-UHFFFAOYSA-N
rxn:4:183271:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)ccc21,JZNPINRDVWHRGX-UHFFFAOYSA-N
rxn:4:183271:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,KUGSJNCYHVJOHQ-UHFFFAOYSA-N
rxn:4:183272:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,CQOHPNDSOBJKIA-UHFFFAOYSA-N
rxn:4:183272:225711,COC(COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1)OC,OXACRRAFJZVZIA-UHFFFAOYSA-N
rxn:4:183272:225718,COC(COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1)OC,QLARVSRGSKPUFY-UHFFFAOYSA-N
rxn:4:183273:224071,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,QOYQLIVFIJBAAJ-UHFFFAOYSA-N
rxn:4:183273:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,AMTKSSLLPZWDBG-UHFFFAOYSA-N
rxn:4:183273:225711,COC(COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1)OC,VHNDBWLNXGAXSG-UHFFFAOYSA-N
rxn:4:183273:225718,COC(COc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)OC,LSUMFBDORYJIOX-UHFFFAOYSA-N
rxn:4:183273:226122,COCc1ccc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,JOKJCSSZYAHPOV-UHFFFAOYSA-N
rxn:4:183273:227468,CCN(CC)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cn1,GPRUZAKFSATZPX-UHFFFAOYSA-N
rxn:4:183274:226494,CCN(CC)c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C)n1,KOJTYDNJUVHJIT-UHFFFAOYSA-N
rxn:4:183516:223952,CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1,NGHMIWHDHCMCNN-UHFFFAOYSA-N
rxn:4:183541:224160,CCOC(=O)Cc1cc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc(C#N)c1C(F)(F)F,IZBXNUXOUUIOSV-UHFFFAOYSA-N
rxn:4:183669:224817,COC(=O)CSC1CCN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)o2)C1,UAWFSSZVWHDKJI-UHFFFAOYSA-N
rxn:4:183688:222612,COCCOc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)ccc1C(=O)N1CCC1,OQMOXCFLCCAXSW-UHFFFAOYSA-N
rxn:4:183755:226966,O=C1CCCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(OCC4CC4)c3)cc21,XDTRDZRJBQGYKZ-UHFFFAOYSA-N
rxn:4:183803:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCCCC1,JMTYSHMAEYCJGC-UHFFFAOYSA-N
rxn:4:183804:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)cn2)CC1,WZHKRCPKMNWYKP-UHFFFAOYSA-N
rxn:4:183804:225896,COCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)c(F)cc1F,WQILOOVSRZKVDE-UHFFFAOYSA-N
rxn:4:183863:224182,COC(=O)CN1CCCC(COc2ccc(-c3ccc(OCCN4CCOCC4)c(C)c3)cc2)C1,HGQFDFSGELKVTI-UHFFFAOYSA-N
rxn:4:183863:224187,COC(=O)CN1CCCC(COc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cc2)C1,PDSYJYIJGAMGMH-UHFFFAOYSA-N
rxn:4:183863:225269,COC(=O)CN1CCCC(COc2ccc(-c3ccc(C(=O)OC)cc3C(=O)OC)cc2)C1,OQNGGGXVLUZXPU-UHFFFAOYSA-N
rxn:4:183870:223480,Cc1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SXVPCAREFAQTAV-UHFFFAOYSA-N
rxn:4:183872:224413,COCCOc1cc(-c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)ccc1C(=O)N1CCCCC1,DSQDTBUBJWZWNT-UHFFFAOYSA-N
rxn:4:183878:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)cc(OCC4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,VCSGMPZWXHCHJC-UHFFFAOYSA-N
rxn:4:183880:226021,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2F)C1,KOSWTMLTIJASSS-UHFFFAOYSA-N
rxn:4:183881:226502,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)c(F)c2)C1,GASZJHQHOVSFDR-UHFFFAOYSA-N
rxn:4:183944:223934,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)C1,HVZYULSQGLCJQK-UHFFFAOYSA-N
rxn:4:183964:225350,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(C(F)(F)F)cc2C(=O)OC)c1,OKMCQUAIBCMAJV-UHFFFAOYSA-N
rxn:4:183966:224081,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)c2)C1,IYBQBZARFFBPPP-UHFFFAOYSA-N
rxn:4:183968:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(F)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,BNUISFZSYGFONU-UHFFFAOYSA-N
rxn:4:184014:223592,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)c2)CC1,HVNLWZBTINQUCE-UHFFFAOYSA-N
rxn:4:184016:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,BRJNUAXZSHSYOI-UHFFFAOYSA-N
rxn:4:184018:226046,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2ccnc(C(F)(F)C(F)(F)F)c2)CC1,QLWDFXVZOXUCGM-UHFFFAOYSA-N
rxn:4:184022:223646,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,SFFUUQVTNPQCTE-UHFFFAOYSA-N
rxn:4:184022:226897,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cnc(OCC(F)(F)F)nc2)CC1,CHNSROQPCFTLHA-UHFFFAOYSA-N
rxn:4:184023:223533,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,LWAPBDZRLXPVMW-UHFFFAOYSA-N
rxn:4:184023:228415,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(F)ccc3C(F)F)c2)CC1,BJNVNZGQISQUAS-UHFFFAOYSA-N
rxn:4:184024:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,DPEDFHVIZPYOLE-UHFFFAOYSA-N
rxn:4:184026:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Cl)c(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(C(F)(F)F)c2)CC1,YOZCTCNTMUGBCV-UHFFFAOYSA-N
rxn:4:184029:225995,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(C#N)ccc3OC(F)(F)F)c2F)CC1,GVFVPYURFVZNTH-UHFFFAOYSA-N
rxn:4:184030:225909,CCOc1ccc(-c2c(F)cccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,JYTJGIQTJIGMLR-UHFFFAOYSA-N
rxn:4:184055:225437,COc1cc(-c2cccc(CN3CCCCC3)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,GBECWNXMAVJSRN-UHFFFAOYSA-N
rxn:4:184055:225711,COc1cc(-c2ccc(OCC(OC)OC)cc2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,YEFCQRHKBQWRMC-UHFFFAOYSA-N
rxn:4:184056:225233,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(Cl)c(N2CCCC(C)C2)c1,XAWRXWYSUTZQMX-UHFFFAOYSA-N
rxn:4:184095:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO[Si](C)(C)C(C)(C)C)cc3)ccn2)CC1,LBMXMDMBRGFXGH-AREMUKBSSA-N
rxn:4:184216:223581,COC(=O)c1cccc2cc(-c3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)cc4ccccc34)n(C(=O)OC(C)(C)C)c12,MNDXAMDAQZWARD-UHFFFAOYSA-N
rxn:4:184245:222998,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(F)cc(C4CCCNC4)c2)cc1)N(CCCOC(C)C)C3=O,LYSQXWYIIKJCIZ-UHFFFAOYSA-N
rxn:4:184628:223980,CCOC(=O)Cc1cc(C)cc(C#N)c1-c1cccc(S(=O)(=O)N2CCN(CC)CC2)c1,RQTSWKHLGDJPIU-UHFFFAOYSA-N
rxn:4:184794:223608,COc1ccc(COc2ccc(C#N)cc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1,HFEXRTPVUNNRPD-UHFFFAOYSA-N
rxn:4:184864:222619,COC(=O)C(c1cc(-c2ccc(CNC(=O)C3CCCCC3)cc2)ccc1OC)N(C)C,JJYGWCDSIFLGDO-UHFFFAOYSA-N
rxn:4:184954:223840,COc1ccc(-c2cc(Cl)ccc2OCCCN2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,QPZGBCYDGYYWEK-UHFFFAOYSA-N
rxn:4:184958:222827,O=S(=O)(NC1CC1)c1cc(F)c(-c2cccc(F)c2OCCCN2CCOCC2)cc1F,NEJXEFGRMACZNJ-UHFFFAOYSA-N
rxn:4:184969:226069,CC(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,MZOQOQCQVBQIPS-UHFFFAOYSA-N
rxn:4:185025:223492,Cc1cc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MMOGNGKWSGLQAU-UHFFFAOYSA-N
rxn:4:185027:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(SC4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,FAMNOVNMBHMWQM-UHFFFAOYSA-N
rxn:4:185027:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(SC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,SULPAXBDBIWWOM-UHFFFAOYSA-N
rxn:4:185093:224247,CC1CCN(C(=O)c2ccc(-c3ccccc3OCCCN3CCOC(C)C3)c(F)c2)CC1,URZXTIODQXGEPN-UHFFFAOYSA-N
rxn:4:185159:226770,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(C(=O)OC)c(Cl)cc2F)c1,WROWSFYILATMJR-UHFFFAOYSA-N
rxn:4:185193:222522,COc1ccc(-c2cccc(F)c2OCCCN2CCC(C)CC2)cc1S(=O)(=O)N1CCC(O)CC1,ITALTZKQTTVYKB-UHFFFAOYSA-N
rxn:4:185193:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(F)c3OCCCN3CCC(C)CC3)c2)CC1,QDEKEGGKBCDHOO-UHFFFAOYSA-N
rxn:4:185205:223084,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cnc(N3CCC(O)CC3)nc2)c1,KUKRDZPDKDNJGS-UHFFFAOYSA-N
rxn:4:185205:225947,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cnc(N3CCN(C)CC3)nc2)c1,ZGEVHVYWOUYANR-UHFFFAOYSA-N
rxn:4:185208:223637,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)C1,ZJWZLKCMJQHKAG-UHFFFAOYSA-N
rxn:4:185208:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)cnc1Cl,ZRIMDBAZLHVOMG-UHFFFAOYSA-N
rxn:4:185296:222424,CCOc1ccc(C=C2SC(=S)N(c3ccccc3-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)C2=O)cc1OC,DMURRNQZQDCITK-UHFFFAOYSA-N
rxn:4:185315:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,HGHMMNJSGMFXLF-UHFFFAOYSA-N
rxn:4:185315:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CC2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,DHGMBWUKMGFFPK-UHFFFAOYSA-N
rxn:4:185318:222741,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc(C3CC3)c2)C1,JOZOYRFOBYHLDJ-UHFFFAOYSA-N
rxn:4:185319:224270,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cc2C2CC2)C1,OPJUNVAWBRCDCK-UHFFFAOYSA-N
rxn:4:185319:224352,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2C2CC2)C1,HRYUHRKTMKPQMZ-UHFFFAOYSA-N
rxn:4:185323:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FRANPSKZSGFGFY-UHFFFAOYSA-N
rxn:4:185324:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MMIVXJIYIICMIM-UHFFFAOYSA-N
rxn:4:185324:225338,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc(F)c(COCC(F)(F)F)c3)c2)CC1,UWSCSDDWMJFQNS-UHFFFAOYSA-N
rxn:4:185344:222424,COc1cc(C=C2SC(=S)N(c3ccccc3-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)C2=O)cc(OC)c1OC,NHIPRLUSWOTDHR-UHFFFAOYSA-N
rxn:4:185354:223527,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,AVYGBCFUKICWBO-UHFFFAOYSA-N
rxn:4:185354:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,PZDBQJGWZXTHAA-UHFFFAOYSA-N
rxn:4:185371:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,YZUGIGIJKRFQJY-UHFFFAOYSA-N
rxn:4:185371:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,IYXPNKVAURJKQM-UHFFFAOYSA-N
rxn:4:185381:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,NORPWVGSNINJME-UHFFFAOYSA-N
rxn:4:185407:224248,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1,ZNEZHIGBNFJSIT-UHFFFAOYSA-N
rxn:4:185408:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CC2)c(C2CCN(C(=O)OC(C)(C)C)C2)c1,VCTKOUINDGHLFU-UHFFFAOYSA-N
rxn:4:185409:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)C2)c1,NWDOYVDXJALEIL-UHFFFAOYSA-N
rxn:4:185411:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c(C2CC2)c1,IDAHVRSQYGEDBD-UHFFFAOYSA-N
rxn:4:185423:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,AGOAMXONVGHKNK-UHFFFAOYSA-N
rxn:4:185423:227910,CCC(C)c1ccc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cn1,IKYWZYXXQFVXIF-UHFFFAOYSA-N
rxn:4:185438:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)CC1,YLSXOZCSJKDBSP-UHFFFAOYSA-N
rxn:4:185438:226649,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccnc3N3CCOCC3)cc2)CC1,NZPBNGNNXCNNCO-UHFFFAOYSA-N
rxn:4:185489:225361,CCOCCCN1Cc2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)ccc2OCC1=O,LMHVJNIFZXRNIP-UHFFFAOYSA-N
rxn:4:185535:223250,COC(=O)[C@@H]1Cc2ccc(-c3ccc4c(c3)NC(=O)CO4)cc2CN1C(=O)OC(C)(C)C,RNDCVZKNMOSROH-IBGZPJMESA-N
rxn:4:185571:225986,O=C(C1COc2ccccc2O1)N(Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)o1)C1CCS(=O)(=O)C1,ITXRACASMGVQPH-UHFFFAOYSA-N
rxn:4:185625:224089,CC1CCN(CCOc2ccc(-c3ccc(-c4coc5cc(OCCN6CC(C)OC(C)C6)ccc5c4=O)cc3)cc2)CC1,WVAFXEBECLFPMG-UHFFFAOYSA-N
rxn:4:185913:223785,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)OC)c(C#N)c3C(F)(F)F)cc2Cl)CC1,GQSCBMFBKFFHIO-UHFFFAOYSA-N
rxn:4:185914:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)c(C(=O)OC)cc2C(F)(F)F)c(Cl)c1,SHJUONOWDIXNMK-UHFFFAOYSA-N
rxn:4:186277:222513,COC(=O)Cc1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)ccc1S(N)(=O)=O,YDYTUSYPXUDFMX-UHFFFAOYSA-N
rxn:4:186327:223498,CCOC(=O)c1cnc(C2CC2)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,ZWLZSAVIUPJMQZ-UHFFFAOYSA-N
rxn:4:186533:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2C1,MTCGGHLVMBTABN-UHFFFAOYSA-N
rxn:4:186797:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)N2CCOCC2)cc1,JNVUVRKFMSZRLW-UHFFFAOYSA-N
rxn:4:186991:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCOCC4)c3)cc2)CC1,JDFZBQUCDCOPHC-UHFFFAOYSA-N
rxn:4:186992:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCOCC3)cc2)CC1,QZMWMGPKHLEVPB-UHFFFAOYSA-N
rxn:4:187011:224375,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2F)C1=O,RALZPPRGKVZKPG-IBGZPJMESA-N
rxn:4:187124:225296,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1,YSVUYXJDFBTJSK-UHFFFAOYSA-N
rxn:4:187127:225943,O=C(CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)cc1)N1CCCCC1,GQZHJEQRRCTIPD-UHFFFAOYSA-N
rxn:4:187129:224396,Cc1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2)ccc1S(=O)(=O)N1CCOCC1,OFJSMYDOMFUKGM-UHFFFAOYSA-N
rxn:4:187205:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(Cl)cc3C3CN(C(=O)OC(C)(C)C)C3)cc2C1,XVFRVHBOEYNNSG-UHFFFAOYSA-N
rxn:4:187206:225233,CC1CCCN(c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3Cl)cnc2Cl)C1,MHLIMZQYRCCQBP-UHFFFAOYSA-N
rxn:4:187207:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(Cl)c(C2CN(C(=O)OC(C)(C)C)C2)c1,UDMVXWHMPDDTIL-UHFFFAOYSA-N
rxn:4:187214:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)C1,DZHBIJIYNXMOFR-UHFFFAOYSA-N
rxn:4:187220:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2Cl)CC1,PHDOXOQLGXIAMC-UHFFFAOYSA-N
rxn:4:187220:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2F)CC1,AOECMRNYPTYCHK-UHFFFAOYSA-N
rxn:4:187222:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(F)cc3C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,BZDPQEMDBHWQTC-UHFFFAOYSA-N
rxn:4:187290:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3OCCN3CCC(C)CC3)c2)CC1,QXWGYWALMFTDGG-UHFFFAOYSA-N
rxn:4:187374:222546,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,GJNDJVOTQWERAC-UHFFFAOYSA-N
rxn:4:187374:225295,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCCC3)c2)CC1,IXRSJKNIDYRKTO-UHFFFAOYSA-N
rxn:4:187405:222588,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,CHLKFIRPONUTRA-UHFFFAOYSA-N
rxn:4:187415:223536,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)o2)CC1,YOZGIYPKFGNKDU-UHFFFAOYSA-N
rxn:4:187418:225899,Cc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)n(C(=O)OC(C)(C)C)n1,IQJSAQLMROFUGD-UHFFFAOYSA-N
rxn:4:187421:223883,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,XYSPVWWQKVUNGO-UHFFFAOYSA-N
rxn:4:187421:224356,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc2sc(Cl)cc2n1C(=O)OC(C)(C)C,RPDPGOVEEZXYRE-UHFFFAOYSA-N
rxn:4:187436:224368,Cc1ccc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,HVWPHOBIZKOWOP-UHFFFAOYSA-N
rxn:4:187441:224276,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)o2)C1,UJBHPNMXSFGRMQ-UHFFFAOYSA-N
rxn:4:187444:224277,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)cc1F,LLGLSQBILJOQHV-UHFFFAOYSA-N
rxn:4:187484:225572,CCOc1ccc(-c2cc(C3CC3)ccc2C(=O)OC)cc1S(=O)(=O)N1CCCCC1C,FFPBTQUTLVEFPN-UHFFFAOYSA-N
rxn:4:187488:225297,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,CJSHBVLIIFURTI-UHFFFAOYSA-N
rxn:4:187494:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)cc3)cn2)C1,WGOVUFSEQYGJNT-UHFFFAOYSA-N
rxn:4:187498:223952,COc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc(OC)c1C(=O)N1CCC(C)CC1,NNTJOXCZHYGJFJ-UHFFFAOYSA-N
rxn:4:187557:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)cc21,KWPOZPCBBADYNK-JOCHJYFZSA-N
rxn:4:187573:223578,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)CC1,XNJQSBLKDBEMFL-UHFFFAOYSA-N
rxn:4:187579:223536,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KXSRCMOXHGJOFZ-UHFFFAOYSA-N
rxn:4:187580:223649,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)o1,DXYAPDNEDJDKBG-UHFFFAOYSA-N
rxn:4:187589:224653,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc(Cl)cc3OCC3CCCCO3)c2)C1,RESUVUGMJPBZSD-UHFFFAOYSA-N
rxn:4:187593:224653,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2F)C1,VFGQOYURURPUAX-UHFFFAOYSA-N
rxn:4:187595:225233,CC1CCCN(c2cc(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)C1,QUORAQJZSVZKQO-UHFFFAOYSA-N
rxn:4:187681:223669,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,QFYXLNGVKMYFGP-UHFFFAOYSA-N
rxn:4:187681:225303,Cc1cc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,BEYVRLOXVFSJJY-UHFFFAOYSA-N
rxn:4:187863:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2OC,ZPFXFSBNPHXRHR-UHFFFAOYSA-N
rxn:4:187944:222775,OC1CCN(Cc2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2F)CC1,AHGPFLYXNHXRJO-UHFFFAOYSA-N
rxn:4:187944:222777,OC1CCN(Cc2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2Cl)CC1,PLGBUTWEYYMEFP-UHFFFAOYSA-N
rxn:4:187944:225711,COC(COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1)OC,SBLPIWAWQUBDJJ-UHFFFAOYSA-N
rxn:4:187944:226267,COCCOc1ccc(C)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,QSEVPJILCFLHJQ-UHFFFAOYSA-N
rxn:4:187995:222947,CCc1cc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,QDFRVTJLQNLZFN-UHFFFAOYSA-N
rxn:4:187995:223885,CCc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,PUPLKJUSPLXSJZ-UHFFFAOYSA-N
rxn:4:188333:223562,CCOC(=O)c1nc(C)c(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)s1,XQFQVEXWBMIMFJ-UHFFFAOYSA-N
rxn:4:188333:223593,CCOC(=O)c1nc(C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)s1,NAPWQMTVGRZCGG-UHFFFAOYSA-N
rxn:4:188460:223480,COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,OQLQEFWORPKWEP-UHFFFAOYSA-N
rxn:4:189217:224760,O=C(ON1C(=O)CCC1=O)c1cccc(F)c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,STMPVJZTBRJDFL-UHFFFAOYSA-N
rxn:4:189521:223812,COC1CCN(Cc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)o2)C1,DPQVCMKLTSUNFA-UHFFFAOYSA-N
rxn:4:189603:223815,Cc1cccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1C(=O)ON1C(=O)CCC1=O,ABHIPJJLPPUZGW-UHFFFAOYSA-N
rxn:4:189766:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3C(F)(F)F)ccc21,VEMNBWXPUQOEIZ-UHFFFAOYSA-N
rxn:4:189847:224248,CC(=O)N(c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)cc1)C1C=CS(=O)(=O)C1,JZAYRNWBNBXEFB-UHFFFAOYSA-N
rxn:4:189874:224760,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C(F)(F)F)N1CCOCC1,JYWGSSJLBBNZLA-UHFFFAOYSA-N
rxn:4:189926:222612,O=S(=O)(Cc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1)N1CCOCC1,QGJMWNOWMGYQLK-UHFFFAOYSA-N
rxn:4:189943:222628,O=S(=O)(Cc1ccccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1)N1CCOCC1,DXMTVIABFIHLKD-UHFFFAOYSA-N
rxn:4:189973:223992,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,QRUALAIARMEGFJ-UHFFFAOYSA-N
rxn:4:190005:223490,Cc1ccc(-c2cccc(C(=O)N(C)C3CCCC3)c2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZMHJJPBNZOTYOU-UHFFFAOYSA-N
rxn:4:190016:223970,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,FJDXZNQIGVHGQL-UHFFFAOYSA-N
rxn:4:190139:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)cc2Cl)CC1,VQDIXKBKPVFHFM-UHFFFAOYSA-N
rxn:4:190139:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(CN4CCCCC4)c(C(F)(F)F)c3)ccn2)CC1,JQWJBRDTPPWXSF-UHFFFAOYSA-N
rxn:4:190221:223904,COc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1CN1CCC(F)(F)CC1,VOTHRPIZUFENEZ-UHFFFAOYSA-N
rxn:4:190364:223597,COc1ccc(CN2CCC(C)CC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,JHFZVTSWUHIECU-UHFFFAOYSA-N
rxn:4:190378:223845,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,KQXCWCHOBKUCHQ-UHFFFAOYSA-N
rxn:4:190378:223999,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,FBRRNDTXNYKXIU-UHFFFAOYSA-N
rxn:4:190379:225226,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(N2CCC(C)CC2)ncc1F,UQOQZLTYYXZLDU-UHFFFAOYSA-N
rxn:4:190380:222847,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(C#N)cc(C2CCCNC2)c1,HZOUSLIXETXCHE-UHFFFAOYSA-N
rxn:4:190380:224820,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,TXCVTMSWMGCNGH-UHFFFAOYSA-N
rxn:4:190408:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])cc2F)CC1,IXQYEQHZUKOSIK-UHFFFAOYSA-N
rxn:4:190458:223844,C[C@@H](c1ccccc1)N1C[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)OCC1=O,YKCXIKLDUDNCIK-DCFHFQCYSA-N
rxn:4:190557:223531,CCOC(=O)c1cc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cccc2[nH]1,FRZTZHSHJRSQQH-UHFFFAOYSA-N
rxn:4:190823:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)cn2)C1,NSNBEERJMSNPFM-UHFFFAOYSA-N
rxn:4:190833:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1,HDDJAEZYOBKADL-UHFFFAOYSA-N
rxn:4:190931:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)cc1,YERQWALJEALHFY-UHFFFAOYSA-N
rxn:4:190931:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)C(=O)CCN4C(=O)OC(C)(C)C)c2)CC1,MEQINJKKKJCPBE-UHFFFAOYSA-N
rxn:4:191006:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,ZQNHIZFUOKQXLS-UHFFFAOYSA-N
rxn:4:191006:222855,COc1cc(-c2ccc(S(=O)(=O)N3C4CCC3CC(OC)C4)cc2)cc(C2CCCNC2)c1,WTTZMIFUCXPQJU-UHFFFAOYSA-N
rxn:4:191041:226536,COc1ccc(OC)c(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)c1OC,DQVXIJCFDQATEX-UHFFFAOYSA-N
rxn:4:191043:225867,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cnc(Cl)c(N5CCCCC5)c4)ccc3C2=O)CC1,JWPODLSURJWQJT-CYWCHRQTSA-N
rxn:4:191043:226333,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cccc(C(=O)N5CCC5)c4)ccc3C2=O)CC1,OESQUDIHOZAJKR-VVOJOOEHSA-N
rxn:4:191063:223084,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4)cc3O2)C1,LKORXJLLPRVYOW-UHFFFAOYSA-N
rxn:4:191075:224017,O=S1(=O)C[C@]2(c3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)CN(Cc3ccccc3)C[C@@H]21,WVBKAQWKRDCCHA-SVBPBHIXSA-N
rxn:4:191099:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)cc2F)CC1,VXXMJELBZDJREF-UHFFFAOYSA-N
rxn:4:191103:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc2c(c1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1,RMIMEBHZWYNSAG-UHFFFAOYSA-N
rxn:4:191115:223889,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc1O2,DOOIPFMJMHHCNT-UHFFFAOYSA-N
rxn:4:191117:223556,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c12,PXEXLCWNYRIKJP-UHFFFAOYSA-N
rxn:4:191117:227554,COC(=O)c1c(F)cccc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,SXWMUJXRDYCTQP-UHFFFAOYSA-N
rxn:4:191118:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)c(F)c2)CC1,WVFHYRWZNXZITJ-UHFFFAOYSA-N
rxn:4:191119:222799,Cc1cc(-c2ccc3c(c2)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1S(=O)(=O)NC(C)(C)C,BUMMHPYMVNHEOQ-UHFFFAOYSA-N
rxn:4:191120:225829,CC1CCN(c2ncc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)cn2)CC1,KAACTZIXQUCFEA-UHFFFAOYSA-N
rxn:4:191121:224279,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c(F)c1C2=O,IWGUAVOBVYBFLU-UHFFFAOYSA-N
rxn:4:191124:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,DWDHSIWHJWEKAO-UHFFFAOYSA-N
rxn:4:191125:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)CCC21CCN(C(=O)OC(C)(C)C)CC1,SSJGENZNNMAKAM-UHFFFAOYSA-N
rxn:4:191129:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)c2Cl)CC1,WXVHHLNGTGNOBV-UHFFFAOYSA-N
rxn:4:192330:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nc(OC4CCC4)ccc3F)c2)CC1,OTOVTMUOHDHBKW-UHFFFAOYSA-N
rxn:4:193062:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(C2(C#N)CCCC2)c1F,VLOSVLUZFAZJQU-UHFFFAOYSA-N
rxn:4:193139:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccccc2CN2CCCC2)cc1,LCQABKFPBCJVLQ-UHFFFAOYSA-N
rxn:4:193139:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3CN3CCCC3)s2)CC1,WLCKDCYQDXQOFT-UHFFFAOYSA-N
rxn:4:193391:222621,CC(C)Cc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc(C2CCCNC2)n1,ADLTZHPKJRPCGL-UHFFFAOYSA-N
rxn:4:193684:223596,Cc1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(CN2CCOCC2)c1F,JBHGWZHZRYYCKW-UHFFFAOYSA-N
rxn:4:193685:224376,Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,UANQOYZQSJAONC-UHFFFAOYSA-N
rxn:4:193738:223659,C[C@@H](c1cccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCC(=O)CC1,HLLLGGADVASXAH-FQEVSTJZSA-N
rxn:4:193747:223835,Cc1cc(F)c(-c2ccc(N3CCOCC3)cc2C2CC2)cc1S(=O)(=O)N1CCC(C)CC1,SZZMSKHXKHIMPA-UHFFFAOYSA-N
rxn:4:193747:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)cc1C1CC1,DNGNKNKETPSWKO-UHFFFAOYSA-N
rxn:4:193870:222538,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,GFCOWXCIOOTHMS-UHFFFAOYSA-N
rxn:4:193881:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,MKAVDJLEAVFUHN-UHFFFAOYSA-N
rxn:4:193908:224404,Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,KQEXIRSVOWDLDE-UHFFFAOYSA-N
rxn:4:193957:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,JUKYZGUVBZDCKQ-UHFFFAOYSA-N
rxn:4:193972:222855,COc1cc(-c2cc(C)c(Cl)cc2S(=O)(=O)N2CCCCCC2)cc(C2CCCNC2)c1,KWGPGXZXTJSNFR-UHFFFAOYSA-N
rxn:4:193974:225978,O=S(=O)(c1cccc(-c2ccc(N3CCOCC3)nc2F)c1)N1CCC2(CC1)OCCO2,LFVNNNMAMBGREH-UHFFFAOYSA-N
rxn:4:193975:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccccc1S(=O)(=O)N1CCC2(CC1)OCCS2,DAKBFFWNGMMTFA-UHFFFAOYSA-N
rxn:4:193983:223883,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C,FKTUOWDUKOLBSR-UHFFFAOYSA-N
rxn:4:193983:224161,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,CXQDKZQRXCKOFE-UHFFFAOYSA-N
rxn:4:193983:224162,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2,MLMPGEORIYKWJK-UHFFFAOYSA-N
rxn:4:193997:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1C,VMQZOBKJDVUMMS-UHFFFAOYSA-N
rxn:4:194416:223992,Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(C)C)cc1S(=O)(=O)N1CCN(C)CC1,ZZNMKMMBILCJBP-UHFFFAOYSA-N
rxn:4:194712:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(N1CCCC(C(F)(F)F)C1)CC2,ZCBANXQRHUDLDQ-UHFFFAOYSA-N
rxn:4:194730:223813,COC1CCN(C2CCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)ccc32)CC1,FUQRYBINIAVVHR-UHFFFAOYSA-N
rxn:4:194768:223813,COC1CCN(C2CCCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)ccc32)CC1,GXLVUPPZQZCHAO-UHFFFAOYSA-N
rxn:4:194768:225346,COc1ccc(-c2ccc3c(c2)CCCC3N2CCC(OC)CC2)cc1S(=O)(=O)N(C)C,MDDNFBNETHVYGO-UHFFFAOYSA-N
rxn:4:194819:223574,CC(C)Cn1c2c(c3cc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc31)CCCC2,OSXRYOOGKIHYMW-UHFFFAOYSA-N
rxn:4:195265:223481,CSc1cccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)n1,QLAKRZWJOBQFTG-UHFFFAOYSA-N
rxn:4:197990:224593,CC1CCN(Cc2cc(-c3ccc4c(c3)CCCC4N3CCCC(C)C3)ccc2F)CC1,YLKQTXXSSYLWJE-UHFFFAOYSA-N
rxn:4:199557:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)ccc2Cl)CC1,MVVMKAZXCAPQAT-UHFFFAOYSA-N
rxn:4:199570:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cncc(OC[C@H]2CCN2C(=O)OC(C)(C)C)c1,QYYPPVCQBAANHG-JOCHJYFZSA-N
rxn:4:199570:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cncc(OC[C@H]4CCN4C(=O)OC(C)(C)C)c3)cc2)C1,WWHTTXAVWRFPAF-OAQYLSRUSA-N
rxn:4:199570:224271,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)c1,WJDWRGURNKMVHH-LJQANCHMSA-N
rxn:4:199577:223597,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)CC1,HKIMRWCVNHYKFN-UHFFFAOYSA-N
rxn:4:199577:226256,CCCCOc1cc(F)ccc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCN(C)CC1,KYJNVUZTBDFAFZ-UHFFFAOYSA-N
rxn:4:199584:223671,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)co2)n1,LESWSFQIKOIGLN-UHFFFAOYSA-N
rxn:4:199622:222998,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C4CCCNC4)c3)cc2)CC1,BLTVGPPGLJEDMN-UHFFFAOYSA-N
rxn:4:199652:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])cc2[N+](=O)[O-])CC1,WELPMICMFGBXTP-UHFFFAOYSA-N
rxn:4:199716:224280,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1,SFNUPEGBSKQOAU-UHFFFAOYSA-N
rxn:4:199726:223152,CN(C)C(=O)Nc1ccc(-c2cc(C#N)c(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,YEAYRLSAHCBROM-UHFFFAOYSA-N
rxn:4:199741:228214,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3cnc(C4CC4)cc3F)c2)CC1,LUMDYUQANWWFDK-UHFFFAOYSA-N
rxn:4:199760:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3N3CCN(C(=O)OCC[Si](C)(C)C)CC3)cc2F)CC1,HAXGVVABPOQVMD-UHFFFAOYSA-N
rxn:4:199764:226275,COC(=O)c1cc(-c2cnc(OCC(C)C)c(C)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XDWUDRXABJNQLO-UHFFFAOYSA-N
rxn:4:199769:223576,COc1cc(Cl)c(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MLCGIBTXDICNGV-UHFFFAOYSA-N
rxn:4:199769:228470,COc1cc(Cl)c(-c2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SHBTUKONAYCCQL-UHFFFAOYSA-N
rxn:4:199778:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,DTPUPNBNHYEJKG-UHFFFAOYSA-N
rxn:4:199778:224962,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccccc3COC3CCOCC3)cc(C(F)(F)F)c2)CC1,ZWKGWHGHRHKMBG-UHFFFAOYSA-N
rxn:4:199784:223885,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,IMVGVOXXSUDWQA-UHFFFAOYSA-N
rxn:4:199784:224653,COc1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HJMDMJTVFLSTDI-UHFFFAOYSA-N
rxn:4:199790:224624,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)ccc1C(=O)OCC(C)(C)C,OGJHKFOQYUXXNO-UHFFFAOYSA-N
rxn:4:199790:225899,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C)nn1C(=O)OC(C)(C)C,FUGGGONHJXWSHF-UHFFFAOYSA-N
rxn:4:199791:223637,COc1ccc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OKRGGBPRZWVIPR-UHFFFAOYSA-N
rxn:4:199809:223939,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,CNMANKDQBIJNMC-UHFFFAOYSA-N
rxn:4:199809:224268,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)c1,CBOKTMBAXDFJBY-UHFFFAOYSA-N
rxn:4:199810:223683,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,AAJUAKWKTJKFBP-UHFFFAOYSA-N
rxn:4:199812:222947,CC1CN(C(=O)Cc2ccc(F)cc2-c2cnc(N3CCCC(O)C3)nc2Cl)CCN1C(=O)OC(C)(C)C,XXYATRSHTPZULR-UHFFFAOYSA-N
rxn:4:199813:225758,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccncc1C(=O)OC(C)(C)C,MKDPPAAJONAYFZ-UHFFFAOYSA-N
rxn:4:199818:223835,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,DITXTPRPDPSCBX-UHFFFAOYSA-N
rxn:4:199827:226138,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(CCN2CCN(C(=O)OC(C)(C)C)CC2C)cc1,DZYGXBOYOIXGFY-UHFFFAOYSA-N
rxn:4:199835:223635,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,OTPCGBOUWLYCGV-UHFFFAOYSA-N
rxn:4:199842:228217,CC(C)c1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1C,GCDWYGSPAMOCNV-UHFFFAOYSA-N
rxn:4:199863:222855,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(OC)cc(C2CCCNC2)c1,WKVKRCBDMVBWEM-UHFFFAOYSA-N
rxn:4:199863:223981,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,JUNKMXSHNWCUOQ-UHFFFAOYSA-N
rxn:4:199863:224392,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,XLFAUDWDYKGVDR-UHFFFAOYSA-N
rxn:4:199865:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C[C@@H]4c4ccc(Cl)cc4)cc3)cc2C1,IRJXXSVAGGRRQX-SSEXGKCCSA-N
rxn:4:199883:224270,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cn(C(=O)OC(C)(C)C)c5ncccc45)cc3)CC2)CC1,YVBZCMAHPOYWQN-UHFFFAOYSA-N
rxn:4:200001:225899,Cc1cc(-c2ccccc2CCC(=O)N2C3CCC2CC(Oc2ccncc2)C3)n(C(=O)OC(C)(C)C)n1,CXVSHQXYEGWULN-UHFFFAOYSA-N
rxn:4:200008:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)cc2F)CC1,GHEBWVUMHXCQDE-UHFFFAOYSA-N
rxn:4:200008:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)c2)CC1,YWCPWJLTPSICDX-UHFFFAOYSA-N
rxn:4:200026:228810,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cccc(Cl)c4SC)cc3)C(=O)N2C1c1ccc(OC)cc1,WLGBJYRFEFSFIS-UHFFFAOYSA-N
rxn:4:200026:228813,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(Cl)c(SC)c4)cc3)C(=O)N2C1c1ccc(OC)cc1,FIGUHAXIOMNRLU-UHFFFAOYSA-N
rxn:4:200357:222818,COC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCOC(C)C2)c(F)cc1NC(C)=O,FEKNDWSSZCVUSI-UHFFFAOYSA-N
rxn:4:200357:224187,CC1CN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCCCC3)cc2F)CCO1,FPWCOSWVSYZVHC-UHFFFAOYSA-N
rxn:4:200369:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(C#N)ccc3C3CN(C(=O)OC(C)(C)C)C3)cc2)CC1,LESWDCZVMMVAED-UHFFFAOYSA-N
rxn:4:200370:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,CBCYTJRHJQCMGA-UHFFFAOYSA-N
rxn:4:200370:225876,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(Cl)ccc3N3CCOCC3)ccc2C#N)C1,OARDBSUHZUREFI-UHFFFAOYSA-N
rxn:4:200370:225899,Cc1cc(-c2ccc(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)c2)n(C(=O)OC(C)(C)C)n1,SCIACIMYPIGAIS-UHFFFAOYSA-N
rxn:4:200384:224372,O=C(CCc1ccccc1-c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1)N1CC(N2C(=O)COC2=O)C1,PDKDZQBGSHFXML-UHFFFAOYSA-N
rxn:4:200473:222948,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3cnc(N4CCC(O)CC4)nc3Cl)n2)C1,AXAGHKNPDSRFJR-MRXNPFEDSA-N
rxn:4:200473:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,KMCQHFRZOQVMEA-OAQYLSRUSA-N
rxn:4:200473:224371,COC(=O)C1CCN(c2ncc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,UUSQAYVHTSGLBJ-LJQANCHMSA-N
rxn:4:200515:225295,O=C(C1CCCC1)N1CCN=C1SCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,HVUWULLQBWFDFZ-UHFFFAOYSA-N
rxn:4:200520:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(CCC(=O)N4CCC(N5C(=O)CSC5=O)C4)cc3)c2)CC1,ZLTNUNAURWUEEN-UHFFFAOYSA-N
rxn:4:200560:223649,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,PGWCBKSAJROAMA-UHFFFAOYSA-N
rxn:4:200567:223142,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)c(C)c2)CC1,SZNJVNGBNSBKBA-UHFFFAOYSA-N
rxn:4:200575:225899,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C(F)(F)F)n(C(=O)OC(C)(C)C)n1,ZHQNAINDMLBEML-UHFFFAOYSA-N
rxn:4:200596:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1,TTWMVZQJMFYTGU-UHFFFAOYSA-N
rxn:4:200600:226295,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)ccc1COC(C)C,CLXROCZENXDSQW-UHFFFAOYSA-N
rxn:4:200602:223500,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,MRPBJZWTOGXYCL-UHFFFAOYSA-N
rxn:4:200604:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,HJGGDIIYRYYLHW-XMMPIXPASA-N
rxn:4:200604:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,MFYXPUVYHHHGPA-RUZDIDTESA-N
rxn:4:200604:224276,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2)C1,HUZIQZMIGSOMAB-LJQANCHMSA-N
rxn:4:200605:224278,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc2c(ccn2C(=O)OC(C)(C)C)c1,RQTLEOMTDGGHLQ-UHFFFAOYSA-N
rxn:4:200608:222432,COc1ncc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc1C1CCN(C(=O)OC(C)(C)C)C1,JPKSVZBDNJDXSH-UHFFFAOYSA-N
rxn:4:200608:222886,COc1ncc(-c2ccc(N3CCNCC3)cc2C#N)cc1C1CCN(C(=O)OC(C)(C)C)C1,AWCPUHZCNIIAKN-UHFFFAOYSA-N
rxn:4:200608:223175,CCS(=O)(=O)Nc1cccc(-c2cnc(OC)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,QXJOKNQVHCEZGO-UHFFFAOYSA-N
rxn:4:200610:223602,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2F)CC1,LZJHFZZLTZDIEP-UHFFFAOYSA-N
rxn:4:200610:224380,Cc1nccn1-c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1C(F)(F)F,QDGFHRFJRVRLOW-UHFFFAOYSA-N
rxn:4:200633:224819,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,KUOJVGUBLLEAII-UHFFFAOYSA-N
rxn:4:200651:223790,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,OLDQOTJTSLAAGP-UHFFFAOYSA-N
rxn:4:200651:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,DEDFXXGGIILWCU-UHFFFAOYSA-N
rxn:4:200652:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)c3)c(Cl)c2)CC1,XMSGTINKFPSUTB-UHFFFAOYSA-N
rxn:4:200652:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1,LRICCKDHMHMCLP-UHFFFAOYSA-N
rxn:4:200700:223575,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,VXVOLUITQGUJPN-UHFFFAOYSA-N
rxn:4:200700:227282,CC(C)c1ncc(C#N)cc1-c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,VRNLZWIKKZBCDP-UHFFFAOYSA-N
rxn:4:200702:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,MOPCRCGWJVOGLB-UHFFFAOYSA-N
rxn:4:200705:224276,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2Cl)CC1,RJORMZFYZBCRIV-UHFFFAOYSA-N
rxn:4:200707:226716,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cc2F)CC1,DTFFWDNAJSIOAU-UHFFFAOYSA-N
rxn:4:200708:223773,COc1cccc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)n(C(=O)OC(C)(C)C)c12,FRWCRWVKNJCKKW-UHFFFAOYSA-N
rxn:4:200709:225592,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(F)ccc3CN3CCCC3)ccc2F)CC1,LLOFEQFXSSUUFY-UHFFFAOYSA-N
rxn:4:200709:226502,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccn(C(=O)OC(C)(C)C)c3)ccc2F)CC1,BJGIRTSUXZQVKB-UHFFFAOYSA-N
rxn:4:200710:223575,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IWFCEKPGQJLBST-UHFFFAOYSA-N
rxn:4:200711:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,RAFYHYYSIRNSPP-UHFFFAOYSA-N
rxn:4:200721:225218,CC1CCCN(c2ncc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,PMPJNTJJFREESP-UHFFFAOYSA-N
rxn:4:200727:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,NEYIOPYEOGROEI-UHFFFAOYSA-N
rxn:4:200727:223777,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,ICDVEPRCZGVYCB-UHFFFAOYSA-N
rxn:4:200733:227001,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(SCC4CC4)c3)cc2C(F)(F)F)CC1,QGRKPXPXKODHBR-UHFFFAOYSA-N
rxn:4:200734:222742,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c(F)c2)CC1,ASBFKRFTUXBJQS-UHFFFAOYSA-N
rxn:4:200740:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)cc3F)ccc2F)CC1,AGOGBBJOBWWKHA-UHFFFAOYSA-N
rxn:4:200740:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)cnc1Cl,HDDFEZVAOPJXIB-UHFFFAOYSA-N
rxn:4:200763:223687,COc1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,FEEFEBKOJCTUMT-UHFFFAOYSA-N
rxn:4:200770:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(COc5ccncc5C)CC4)c3)cc2)CC1,NHCDNCKAFRIDHZ-UNWRIRMBSA-N
rxn:4:200772:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(COc5ccncc5C)CC4)c(F)c3)ccc2OC)CC1,TVVYKBGSLUNMSN-UHFFFAOYSA-N
rxn:4:200776:225881,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C4CCOCC4)nc3F)CC2)cc1,SSPOLOCYPGAMOG-UHFFFAOYSA-N
rxn:4:200791:226897,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cnc(OCC(F)(F)F)nc3)c2)CCN1C(=O)OC(C)(C)C,RJZNKILDLAPYPU-AWEZNQCLSA-N
rxn:4:200799:227667,CC(=O)c1ccc(F)c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1F,DVSDDFKEZFVUCO-UHFFFAOYSA-N
rxn:4:200799:228602,CC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,XMKVYSWNQBBHHR-UHFFFAOYSA-N
rxn:4:200799:228874,N#Cc1cnc(Cl)c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,UISHVKALGPTYEP-UHFFFAOYSA-N
rxn:4:200803:225210,CCOc1ccc(-c2cnc(N3CCC(C)CC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,ZRDKNRVJRLWKNF-UHFFFAOYSA-N
rxn:4:200813:226089,CCN(CC)Cc1ccccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,WQZFYIVWDGPEKH-UHFFFAOYSA-N
rxn:4:200815:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MIQJLMXZGZANBC-UHFFFAOYSA-N
rxn:4:200817:223562,CC(c1ccccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CPTVHXWUFKOHRS-UHFFFAOYSA-N
rxn:4:200817:226511,CC(c1ccccc1-c1cc(Cl)cnc1OCC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1,SPJRCUGKYCVZJR-UHFFFAOYSA-N
rxn:4:200818:223860,C[C@H]1CN(Cc2ccc(-c3ccccc3CN3CCCc4ccccc43)c(Cl)c2)CCN1C(=O)OC(C)(C)C,NUKSCGXLONDALI-DEOSSOPVSA-N
rxn:4:200823:223884,Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QJEGITLUWOJRQX-UHFFFAOYSA-N
rxn:4:200825:222630,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,SQWFHXJOPJOWQS-UHFFFAOYSA-N
rxn:4:200826:223055,Cc1cc(-c2ccc(N3CCNCC3)nc2C)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SWFAAFIVZLDHBC-UHFFFAOYSA-N
rxn:4:200828:223884,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(F)cc1F,GIHQTLINEHIOED-UHFFFAOYSA-N
rxn:4:200828:224080,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(OCCCN3CCCCC3)cc2)c(F)cc1F,NNJNTNKJTMXJPH-UHFFFAOYSA-N
rxn:4:200844:223889,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2C2CC2)CC1,FQZARRLKYNOZKE-UHFFFAOYSA-N
rxn:4:200844:223938,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc2C2CC2)CC1,DHXYDMIKQPTLHG-UHFFFAOYSA-N
rxn:4:200857:225233,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1cnc(Cl)c(N2CCCC(C)C2)c1,JRCNPHZRZIEXDP-VGAJERRHSA-N
rxn:4:200880:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,DWWLODPPWVCPKN-KWQFAZJVSA-N
rxn:4:200882:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc(F)c2F)CC1,IASGTYNIJLODBO-UHFFFAOYSA-N
rxn:4:200883:224356,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cc3sc(Cl)cc3n1C(=O)OC(C)(C)C)C2,FPBBFJQKBUWGDR-UHFFFAOYSA-N
rxn:4:200891:225876,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(Cl)ccc3N3CCOCC3)cc2C)CC1,AIACTYAMTIKLLA-UHFFFAOYSA-N
rxn:4:200892:222957,CCOc1ccc(-c2cc(C)cc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,FDUOVSHLTXDKKY-UHFFFAOYSA-N
rxn:4:200897:223835,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,NXAUSVXZDHFLJO-UHFFFAOYSA-N
rxn:4:201089:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4sc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)c2)CC1,BYVZRAIIOQBGEE-UHFFFAOYSA-N
rxn:4:201151:227470,CCCOc1ncc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)c(C)n1,HEPOKHIWQYCAFL-UHFFFAOYSA-N
rxn:4:201236:223812,CCOC(=O)c1c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)n[nH]c1C(F)(F)F,QZWQZQUQJYJEHC-UHFFFAOYSA-N
rxn:4:201308:223696,CCS(=O)(=O)CCn1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,UPFOMPWPGVHJKD-UHFFFAOYSA-N
rxn:4:201409:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1CC(C)C,BRJNZKMPNVGDNN-UHFFFAOYSA-N
rxn:4:201704:224998,O=C(c1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)c1)N1CCCCC1,FRAXGWBDMUJXAK-UHFFFAOYSA-N
rxn:4:201774:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)cs3)cc2)CC1,PZTNQIYEUQUOMM-QHCPKHFHSA-N
rxn:4:201775:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)CC1,PFENHEFMXGXQTJ-UHFFFAOYSA-N
rxn:4:201776:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)s3)cc2F)CC1,SBGSHLFRTKEBSP-UHFFFAOYSA-N
rxn:4:201786:222546,CCOC(=O)C1CCN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,BMLOXIIABWEQJV-UHFFFAOYSA-N
rxn:4:201790:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)nc2)c1,BDISBCRSSXBFCH-UHFFFAOYSA-N
rxn:4:201817:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(N4CCC(C(F)(F)F)CC4)nc3C(=O)OC)c2)CC1,ONSDIHPUKCIMKB-UHFFFAOYSA-N
rxn:4:201827:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OCCN2CCN(C)CC2)cc1,QSYYCVQNQCUTPZ-UHFFFAOYSA-N
rxn:4:201897:225296,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)N1CCN(C(=O)C2CC2)CC1,RVLCLJDVJKXEDH-UHFFFAOYSA-N
rxn:4:201927:223532,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cs2)CC1,CVXIADIWEPJLBN-UHFFFAOYSA-N
rxn:4:201928:223940,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)n2)C1,GVDQGULDUDXORE-UHFFFAOYSA-N
rxn:4:201947:223593,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cnc1N1CCCC1,BUCZIKJNLAGEIV-UHFFFAOYSA-N
rxn:4:201954:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)OC)cc3CN3CCN(C)CC3)cc2F)CC1,KDYGHQAJLKXYEM-UHFFFAOYSA-N
rxn:4:201957:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCN(CC)CC4)ccc3OC)cc2)CC1,RSIRILNVNMJTMX-SOAUALDESA-N
rxn:4:201957:224827,CCN1CCN(C(=O)c2ccc(OC)c(-c3cc(OC(F)(F)F)ccc3C(=O)OC)c2)CC1,DGLZDUFNMCBGCM-UHFFFAOYSA-N
rxn:4:201969:228079,COc1ccc(-c2cccc3c2COC3=O)c(C(=O)N2CCC(N3C(=O)CSC3=O)C2)c1,RGIODFBEVXYBAF-UHFFFAOYSA-N
rxn:4:201975:224818,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,CXHASHBCFKNXNZ-UHFFFAOYSA-N
rxn:4:201995:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)C1,HBOWRTGUOQYMLL-UHFFFAOYSA-N
rxn:4:202001:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)c2)CC1,HTPZYFDRDBJFLU-UHFFFAOYSA-N
rxn:4:202001:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)C1,UVFCCYONDZCZCQ-UHFFFAOYSA-N
rxn:4:202007:222742,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CC2)c1,FFVXHZILAOHSEL-UHFFFAOYSA-N
rxn:4:202007:223540,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,XECKHFBLDMVPGI-UHFFFAOYSA-N
rxn:4:202007:223696,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,MXAHQCGJHDEACB-UHFFFAOYSA-N
rxn:4:202008:225431,CCOc1ccc(C(C)(C)C)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC,HIPJANRUQPPONR-UHFFFAOYSA-N
rxn:4:202073:223818,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)C(=O)C1,CDYURHANCPDHNM-UHFFFAOYSA-N
rxn:4:202073:224280,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C(=O)C1,WUGWWXIQVAMHMF-UHFFFAOYSA-N
rxn:4:202075:222929,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cn2)C1=O,NYGSGLOVCIEDPQ-UHFFFAOYSA-N
rxn:4:202095:223581,COC(=O)c1cccc2cc(-c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)n(C(=O)OC(C)(C)C)c12,IXGJPTOYSWJTJT-UHFFFAOYSA-N
rxn:4:202095:226164,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(N2CCCCC2)cc1,MIQSBVROLILMGX-UHFFFAOYSA-N
rxn:4:202097:223931,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2)CC1,UEROEYXDHDYMDH-UHFFFAOYSA-N
rxn:4:202101:223588,Cc1cc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,CALPDYDVXCODMI-UHFFFAOYSA-N
rxn:4:202106:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)CC1,ODOPOXHRUCIGDH-UHFFFAOYSA-N
rxn:4:202107:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,JLESYZODONXPOR-UHFFFAOYSA-N
rxn:4:202107:223932,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccn2)C1,MMBDXHLXUBCKQC-UHFFFAOYSA-N
rxn:4:202111:225876,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)ccc3N3CCOCC3)cc2)CC1,KCTUBROBLGHJRA-UHFFFAOYSA-N
rxn:4:202128:224720,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2Cl)CC1,JSQCXLDPGXRCTR-UHFFFAOYSA-N
rxn:4:202130:223652,COc1ccc(Cl)c2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)n(C(=O)OC(C)(C)C)c12,SPZDHALLOFVRIP-UHFFFAOYSA-N
rxn:4:202132:226794,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCSCC4)nc3)cc2Cl)CC1,AJLNDONVFHDITQ-UHFFFAOYSA-N
rxn:4:202156:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,MLTYTZPIWCBDFQ-UHFFFAOYSA-N
rxn:4:202175:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1,OVDUJEPIWPQZCU-UHFFFAOYSA-N
rxn:4:202205:224323,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)cc3)CC2)cc1,MWNDTSCLTDCNDJ-UHFFFAOYSA-N
rxn:4:202222:223652,COc1ccc(Cl)c2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4C)ccn3)n(C(=O)OC(C)(C)C)c12,LDTSBMJHQBEVJP-UHFFFAOYSA-N
rxn:4:202226:223593,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1,PAFARSRJKBAMEY-UHFFFAOYSA-N
rxn:4:202226:224278,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)n1,NXIJELXMQUCDOO-UHFFFAOYSA-N
rxn:4:202227:223748,Cc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,QIWZHSUPKGZOSZ-UHFFFAOYSA-N
rxn:4:202228:224424,CCCC1CCC(c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,UHCVBKCKSRUSFA-UHFFFAOYSA-N
rxn:4:202237:226290,CC(C)OC(=O)c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)c1,GLUYNEHOEAPBRP-UHFFFAOYSA-N
rxn:4:202246:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3F)cc2)CC1,GPHCISNFRYHTHS-KWQFAZJVSA-N
rxn:4:202290:227836,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C)cc4C4CC4)cc3)CC2)C1,XAUNQPSADPVQPX-UHFFFAOYSA-N
rxn:4:202298:224391,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,SGQZIDDJBZCVLB-UHFFFAOYSA-N
rxn:4:202306:224959,CCN1CCN(Cc2cc(-c3ccc(OCC4CCCCO4)cc3)cc(C(C)(C)C)c2)CC1,VFZVCIBAYTVXAB-UHFFFAOYSA-N
rxn:4:202306:225731,CCOC(=O)c1ccc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)c(OC)c1,NCQQKGLTCTZVQM-UHFFFAOYSA-N
rxn:4:202309:224819,CN(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1N1CCOCC1)C1CCOCC1,XFQPAEDIBNLOTB-UHFFFAOYSA-N
rxn:4:202310:226332,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1)N1CCC1,WLQTYAQXKMNLIH-UHFFFAOYSA-N
rxn:4:202327:223136,CN(Cc1ccc(-c2ccncc2C2CCCNC2)cc1N1CCOCC1)C1CCCCC1,BDNPEYYKOCNPEC-UHFFFAOYSA-N
rxn:4:202331:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c1,IDURWZJOVRACTA-UHFFFAOYSA-N
rxn:4:202331:225980,COc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,WBUZKTXSVBJMEK-UHFFFAOYSA-N
rxn:4:202341:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,CTRDNOJORCPRLG-FBSWEULCSA-N
rxn:4:202341:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,CTRDNOJORCPRLG-UHFFFAOYSA-N
rxn:4:202341:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,QTIMYZRKRGJPNG-DUYHBEBVSA-N
rxn:4:202564:225438,CC(c1ccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)cc1)N1CCCC1,ZKMHWINFOCNKOG-UHFFFAOYSA-N
rxn:4:202592:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1c(CO[Si](C)(C)C(C)(C)C)nn2c1CCC2,IOANQSWRKRNIAP-UHFFFAOYSA-N
rxn:4:202647:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccc5cccnc45)C3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,RKBYHBMBIUHAPW-UHFFFAOYSA-N
rxn:4:202712:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)CC1,GHIZAVQVXGVJPM-VWLOTQADSA-N
rxn:4:202726:228211,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4cc(N5CCCC5)cs4)ccc32)CC1,AEAGTZMJSJRNGM-UHFFFAOYSA-N
rxn:4:202755:226716,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccn(C(=O)OC(C)(C)C)n4)ccc3OCC2=O)CC1,BATASSYCKHXPCY-UHFFFAOYSA-N
rxn:4:203545:224324,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CC(N5C(=O)CSC5=O)C4)o3)ccc2F)CC1,FHZBRULZVIFGFQ-UHFFFAOYSA-N
rxn:4:203564:223606,COC(=O)c1cnn(C2CCCCO2)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,TZWDBCFLGFZIGS-UHFFFAOYSA-N
rxn:4:203592:222807,O=C(NC1CC1)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1,RXLLBDYTLHUJSE-UHFFFAOYSA-N
rxn:4:203675:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)cc1,ZDWNOQOHWRNSJN-UHFFFAOYSA-N
rxn:4:203684:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(S(=O)(=O)N2CCOCC2)c1OC,QUPFTGXZIBYDQB-UHFFFAOYSA-N
rxn:4:203684:223696,COc1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cncc1S(=O)(=O)N1CCOCC1,QGHKYNKSIPMOJP-UHFFFAOYSA-N
rxn:4:203708:225528,CCN(CC)C(=O)c1ccccc1-c1ccccc1C(=O)N1CC(N2C(=O)COC2=O)C1,SAFFXWFANSWZJS-UHFFFAOYSA-N
rxn:4:203709:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1,SROHEIQZPZRMCY-UHFFFAOYSA-N
rxn:4:203718:222465,CCCc1nc(N2CCCCC2)sc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,CNYXYIQDVOURPT-UHFFFAOYSA-N
rxn:4:203775:222546,COC1CCN(S(=O)(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,LZJWTMNHECSVCX-UHFFFAOYSA-N
rxn:4:203775:222826,COC1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,JZWTXGVDUIWEIO-UHFFFAOYSA-N
rxn:4:203827:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)cc2)CC1,FXHSGRXYFZMLHP-UHFFFAOYSA-N
rxn:4:203827:224685,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(=O)CC4)c3)cc2)CC1,RAPLPDRDZWQSGY-UHFFFAOYSA-N
rxn:4:203915:227700,COc1ccc([N+](=O)[O-])c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)c1,PCLMWMAYAXOVDF-UHFFFAOYSA-N
rxn:4:203949:224292,Cc1cc(-c2cnn(C[C@H]3CC[C@H](C(C)C)CC3)c2)ccc1S(=O)(=O)OCC(C)(C)C,LHQGUPXDVGZJRR-MEMLXQNLSA-N
rxn:4:203977:227529,COC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c(F)c1,RNKWAKKZTOFSJQ-UHFFFAOYSA-N
rxn:4:203985:225570,COC(=O)c1ccc(C2CC2)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,HEABPAJEVAYVRE-UHFFFAOYSA-N
rxn:4:203987:226717,CCOc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1[N+](=O)[O-],WAAPLWWOMGLAIM-UHFFFAOYSA-N
rxn:4:203987:227095,O=C1CC(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)cc2)C1,SOHHZNINPGJDDW-UHFFFAOYSA-N
rxn:4:203993:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3)cc2)CC1,FYGVDWPJJWNGHP-YOCNBXQISA-N
rxn:4:204011:223480,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(N(C)C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QXAWQKVAKDXSQT-UHFFFAOYSA-N
rxn:4:204021:224684,O=C1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)cc2)CC1,ZHVKCSNUWIRQOD-UHFFFAOYSA-N
rxn:4:204036:223958,CCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3N3CCC(N(C)C)CC3)cc2F)CC1,CPECKVHNMREJPO-UHFFFAOYSA-N
rxn:4:204039:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1cccc(N2CCC(N(C)C)CC2)c1C(F)(F)F,WNPBIBGIDGVOEL-UHFFFAOYSA-N
rxn:4:204046:226240,COC(=O)CCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,ZKNPIGAYSYQTMW-UHFFFAOYSA-N
rxn:4:204046:228935,CC(=O)c1cc(Cl)sc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1,DPYUHEMBRUTANL-UHFFFAOYSA-N
rxn:4:204066:222915,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(C(=O)NC3=NCCS3)cc2)c1,VKZVDRZTPPPOKR-UHFFFAOYSA-N
rxn:4:204082:225296,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,YLNCMOFHRVUHTP-UHFFFAOYSA-N
rxn:4:204082:226524,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c(F)c1,TYCKKWYQPWHCJB-UHFFFAOYSA-N
rxn:4:204082:227542,COC(=O)c1cc(F)ccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,YFZBVYPPWDFJEF-UHFFFAOYSA-N
rxn:4:204082:228021,CC(=O)c1cc(C)cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,MSYYXRIHEFSTIZ-UHFFFAOYSA-N
rxn:4:204094:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,KJNAKXWXFICYLU-KWQFAZJVSA-N
rxn:4:204109:224181,O=C(OCc1ccccc1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cn1,AIEYJBCKWUUZKO-UHFFFAOYSA-N
rxn:4:204109:227533,COC(=O)c1ccc(Cl)c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,ZIDRTAABPGAMLE-UHFFFAOYSA-N
rxn:4:204109:227696,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c(F)n1,IWUXPIKIOVWSFB-UHFFFAOYSA-N
rxn:4:204109:228198,Cc1nc(C(C)C)ncc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,ZNVNDUXNRARYSE-UHFFFAOYSA-N
rxn:4:204114:228346,COC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c(C)s1,ANQRRCGZYPFEPV-UHFFFAOYSA-N
rxn:4:204140:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,KENVWNCQWTYRML-ALOJWSFFSA-N
rxn:4:204167:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,KVQNUOLDRCFPEG-UHFFFAOYSA-N
rxn:4:204167:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,PAZSLAJFEMPAHL-UHFFFAOYSA-N
rxn:4:204167:225977,CC1CCCN(Cc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2N2CCOCC2)C1,GGMIEFNDURMLNC-UHFFFAOYSA-N
rxn:4:204186:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1c(C)cc(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1C,XBJMEOSMJRJTKQ-UHFFFAOYSA-N
rxn:4:204263:223534,CCOC(=O)c1ccc2nc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cn2c1,VBDYTBPJBBAUIP-UHFFFAOYSA-N
rxn:4:204404:224280,CCOC(=O)c1nc2n(c1-c1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)CCCC2,HNDBPDVQYSPCEJ-UHFFFAOYSA-N
rxn:4:204473:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc4c(c3)c(Cl)cn4C(=O)OC(C)(C)C)cc2)CC1,QSWVQBZMHWCSEU-UHFFFAOYSA-N
rxn:4:204513:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)CC1,LZRNXULXBBLACA-UHFFFAOYSA-N
rxn:4:204568:222621,CC(C)Cc1cc(-c2cc(Cl)c3cccnc3c2OC(=O)N2CCOCC2)cc(C2CCCNC2)n1,YIAIERSDBXXZMK-UHFFFAOYSA-N
rxn:4:204601:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,HFXQFFFPPGAHHM-UHFFFAOYSA-N
rxn:4:204606:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,MMZRVLKZNJBBAZ-UHFFFAOYSA-N
rxn:4:204606:223646,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)c(Cl)nc2C1,RIKPVSNZXIDACV-UHFFFAOYSA-N
rxn:4:204644:223935,CC(C)(C)OC(=O)N1CCOc2ncc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc2C1,MNWLIGQGCLICHB-UHFFFAOYSA-N
rxn:4:204644:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,HJCOETNLJZVEAL-UHFFFAOYSA-N
rxn:4:204871:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4C5C(=O)N(c6ccc(C)cc6)C(=O)C5ON4c4ccccc4)cc3)cc2C)CC1,DKXBOTAJOOZJGZ-UHFFFAOYSA-N
rxn:4:204878:223539,CCOC(=O)c1nc2sc3ccccc3n2c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,NYEMHXGTVFKDGC-UHFFFAOYSA-N
rxn:4:205136:223695,O=[N+]([O-])c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1C(F)(F)F,DPGQFBNKYSPVAX-UHFFFAOYSA-N
rxn:4:205833:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)ccc3-c3cc(C(F)(F)F)n[nH]3)cc2[N+](=O)[O-])CC1,MJTLJGRWPVVQKW-UHFFFAOYSA-N
rxn:4:206434:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)cc3C(=O)N3CCOCC3)ccn2)CC1,RGKUQHHUJIMPTE-UHFFFAOYSA-N
rxn:4:206449:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)c(F)c2)CC1,KBGJWHDOFGITMT-UHFFFAOYSA-N
rxn:4:206601:223481,COc1ncc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1N1CCOCC1,FXOLRTIDLUNWBS-UHFFFAOYSA-N
rxn:4:206747:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cccc([N+](=O)[O-])c3N3CCC(F)(F)CC3)ccc21,FMWPYWQANHSXTC-UHFFFAOYSA-N
rxn:4:206876:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(-c4csc(N5CCOCC5)n4)cc3)c2Cl)CC1,KIRABFRWKOIUQT-UHFFFAOYSA-N
rxn:4:206991:223937,CN(C)C=C1C(=O)N(c2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc2)CS1(=O)=O,GOIKUENKSFVOPM-UHFFFAOYSA-N
rxn:4:206998:222538,c1c(-c2nc(C3CCCCC3)cc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCC1,SITCVVLLDBHETH-UHFFFAOYSA-N
rxn:4:207057:222621,Cc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PIXZDQCUQRCPQF-UHFFFAOYSA-N
rxn:4:207081:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)ccn2)CC1,YSWJSIRFSIPOFI-UHFFFAOYSA-N
rxn:4:207283:223482,COC(=O)c1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n2c1CCC2,NMPPMAORDLVXAN-UHFFFAOYSA-N
rxn:4:207760:223501,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1F,DJPNJKNGMZPJGW-UHFFFAOYSA-N
rxn:4:207760:223534,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1F,APVHFZVQXZVJJL-UHFFFAOYSA-N
rxn:4:207760:224280,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1F,LZFXFZSIDUQBRE-UHFFFAOYSA-N
rxn:4:207760:224719,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc1F,BFIXYJUKOFJTEH-UHFFFAOYSA-N
rxn:4:207817:223521,CC(c1cccc(-c2ccc(-[n+]3cc(-c4ccc(Cl)cc4)n4c3SCCC4)cc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,MNEOBBJIWHKYLC-UHFFFAOYSA-N
rxn:4:207946:224964,COc1cc(-c2ccc(COC3CCOCC3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KRDJKUYGIHGTPG-UHFFFAOYSA-N
rxn:4:207946:225215,COc1cc(-c2ccnc(N3CCC(C)CC3)c2Cl)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DTWGPYDCDWMQSA-UHFFFAOYSA-N
rxn:4:207946:225432,COc1cc(-c2cccc(COC3CCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,XQVJOVGXSVBGMN-UHFFFAOYSA-N
rxn:4:207946:225977,COc1cc(-c2cc(Cl)cnc2N2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KUTIDWPTFKRBQE-UHFFFAOYSA-N
rxn:4:207946:225982,COc1cc(-c2cnc(N3CCOCC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,SBWCDMSPOWXWTD-UHFFFAOYSA-N
rxn:4:207965:225711,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCC(OC)OC)cc4)ccc2OC32CCC(C)CC2)cc1,XLFZGUILVGUREC-UHFFFAOYSA-N
rxn:4:209256:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3C(=O)CCCC3=O)s2)CC1,ZUCPFTLFZBVVTG-UHFFFAOYSA-N
rxn:4:209653:222439,Cc1cn(C2CCCC2)nc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,PAGPGGHPPIBJBF-UHFFFAOYSA-N
rxn:4:211089:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,XGRVQCDNONRSOM-UHFFFAOYSA-N
rxn:4:211098:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)cc2C1,IJRWJTRDQVXMJF-UHFFFAOYSA-N
rxn:4:211101:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCC(C)CC1)O2,APNDNYWYMAPUDZ-UHFFFAOYSA-N
rxn:4:212515:223996,CN1CCN(c2ccc(-c3nc(C(F)(F)F)nn3COCC[Si](C)(C)C)c(C(F)(F)F)c2)CC1,DBJCCOKLYQXYHF-UHFFFAOYSA-N
rxn:4:212547:223671,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,OBHSXJCOWPAQJA-UHFFFAOYSA-N
rxn:4:212557:225295,O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,ODSYJVXUJNEQLO-UHFFFAOYSA-N
rxn:4:212571:223534,Cn1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,ZABOIKPLFGFFHE-UHFFFAOYSA-N
rxn:4:212571:224604,Cc1nc2cc(-c3cn(C)nc3OCC3CN(C(=O)OC(C)(C)C)C3)c(F)cc2n1C(C)(C)C,IDCGVXAYVIVLEB-UHFFFAOYSA-N
rxn:4:212593:223635,CN(C(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1)C1CN(C(=O)OC(C)(C)C)C1,OUZULHLSNGRULF-UHFFFAOYSA-N
rxn:4:212605:223532,Cn1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,UKFCSKJKPAENMD-UHFFFAOYSA-N
rxn:4:212605:223938,Cn1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,ACTWAGYMZMHKEX-UHFFFAOYSA-N
rxn:4:212607:226259,CCCCOc1ccc(-c2cnc(OC3CCN(C(=O)C(CC)CC)CC3)nc2)cc1Cl,OMFXJHWGKQUCBF-UHFFFAOYSA-N
rxn:4:212608:225875,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,WQXOKTAYPNILKU-UHFFFAOYSA-N
rxn:4:212636:223592,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cn2)CC1,GAGCXJYHXJEUIG-UHFFFAOYSA-N
rxn:4:212636:225799,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cncc(OC4CCOCC4)c3)cn2)CC1,RLWMHJLKFVRMFC-UHFFFAOYSA-N
rxn:4:212641:229307,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cnoc4C)o3)CC2)C1=O,AEDBFSPVLARJTH-UHFFFAOYSA-N
rxn:4:212647:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(CCC4CCCCN4C(=O)OC(C)(C)C)cn3)cc21,ZYDDSGPWMQIRFY-UHFFFAOYSA-N
rxn:4:212647:226241,COC(=O)CCc1cccc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)c1,IJVBLWFXETXLJC-UHFFFAOYSA-N
rxn:4:212649:223812,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,LLXXFJKSUMCJLP-UHFFFAOYSA-N
rxn:4:212649:225172,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,BNNKPBCAWYVZEE-UHFFFAOYSA-N
rxn:4:212655:222432,COC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,AYRBLTPYMMGLKN-UHFFFAOYSA-N
rxn:4:212677:223812,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)CC2)nn1,IMJVKEXLBSGAHU-UHFFFAOYSA-N
rxn:4:212696:222947,O=C(c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1)N1CCC(COc2ccc(C3CC3)nn2)CC1,OIZFWDHVCZJBRA-UHFFFAOYSA-N
rxn:4:212737:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,OHWGYCXAGSZKFG-KWQFAZJVSA-N
rxn:4:212744:225294,CCN1CCN(c2ncc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,XYOFSFHKXVMEAT-UHFFFAOYSA-N
rxn:4:212750:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCCC2)c1,AFWMJZOLWKRRBQ-UHFFFAOYSA-N
rxn:4:212770:223885,CCOC(=O)c1nn2c(c1-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)CN(C(=O)OC(C)(C)C)CC2,FUKQKGNOBUQRIW-UHFFFAOYSA-N
rxn:4:212770:224278,CCOC(=O)c1nn2c(c1-c1cnc3c(ccn3C(=O)OC(C)(C)C)c1)CN(C(=O)OC(C)(C)C)CC2,FEKYLZIGUSGNSP-UHFFFAOYSA-N
rxn:4:212816:222957,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)cc(C2CCCNC2)c1,DOVOMGWAPQLJFF-UHFFFAOYSA-N
rxn:4:212822:224760,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5)cc43)CC2)cc1,ITXMMMJYYMQASD-UHFFFAOYSA-N
rxn:4:212855:223539,CCCOCC(=O)n1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1,GWCQGOVWUPKAQB-UHFFFAOYSA-N
rxn:4:212917:224820,COC(=O)CN1CCC(Cn2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,CZZQREOIUWPTOH-UHFFFAOYSA-N
rxn:4:212923:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)c(Cl)c2)CC1,VDJCBAVLRAPJRB-UHFFFAOYSA-N
rxn:4:212938:225232,CCC(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCC(C)CC4)c3)cn2)C1,SAGPVRPCPMBDTG-UHFFFAOYSA-N
rxn:4:212939:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)ccc2F)CC1,QCHZMRXYJUSMAG-UHFFFAOYSA-N
rxn:4:212939:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,NLWPFDRSFVWZDN-UHFFFAOYSA-N
rxn:4:212939:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(CC2CN(C(=O)OC(C)(C)C)C2)nc1,HSDNBLIXWXYKEB-UHFFFAOYSA-N
rxn:4:212942:224161,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2)C1,XLAJSNAKYPVHEC-UHFFFAOYSA-N
rxn:4:212944:224278,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,RLZUMQHRNILWQP-UHFFFAOYSA-N
rxn:4:212964:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,IJYVGHOSVAQLLG-UHFFFAOYSA-N
rxn:4:212964:226714,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccnn3C(=O)OC(C)(C)C)cn2)C1,HQBASVQGTLIQSM-UHFFFAOYSA-N
rxn:4:212966:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,PYWDBXGTGDFODT-UHFFFAOYSA-N
rxn:4:212973:224754,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2ccccc2S(=O)(=O)N2CCCCC2)C1,SAQKZRQWSBFDGC-UHFFFAOYSA-N
rxn:4:213013:225877,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,YXXPNWMWKPXVOV-UHFFFAOYSA-N
rxn:4:213031:223572,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c4ccccc34)cn2)C1,FHUNBPKKGWMULN-UHFFFAOYSA-N
rxn:4:213040:224157,Cc1nc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,PANZUEIWSKYUMK-UHFFFAOYSA-N
rxn:4:213041:223490,Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MUPJZEJDEVXYPY-UHFFFAOYSA-N
rxn:4:213041:223889,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,KQUWDENDDYZMFK-UHFFFAOYSA-N
rxn:4:213070:222541,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,DYPXXRAXGUPVTM-UHFFFAOYSA-N
rxn:4:213070:227279,CC(C)n1nc(C2CC2)cc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,OBWPHSUISDPLDY-UHFFFAOYSA-N
rxn:4:213078:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,SGTUWVIJHQTSAB-UHFFFAOYSA-N
rxn:4:213078:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F,AQFQORAEXOJSKM-UHFFFAOYSA-N
rxn:4:213088:223929,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2C#N)CC1,UFDMCBAHOOAUTO-UHFFFAOYSA-N
rxn:4:213093:223904,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c(C#N)c2)CC1,IXAHYLWZBITZNU-UHFFFAOYSA-N
rxn:4:213094:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,NFXBQVKOFPUDKT-UHFFFAOYSA-N
rxn:4:213096:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,SWROSIARIXRIGK-UHFFFAOYSA-N
rxn:4:213100:225233,CC1CCCN(c2cc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)cnc2Cl)C1,SOHDDLQCXANGCS-UHFFFAOYSA-N
rxn:4:213100:226870,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(F)c(OC(F)(F)F)c3)c(C(F)(F)F)n2)CC1,KFZLIBROLIGFNT-UHFFFAOYSA-N
rxn:4:213126:223506,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,UKDAZLXWPXKBSN-UHFFFAOYSA-N
rxn:4:213128:226364,COc1nc(-c2ccc(N3CCCCC3)nc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,VIKHLYAQHIFMMD-UHFFFAOYSA-N
rxn:4:213129:223574,COc1nc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,GNRYSJXNJREISK-UHFFFAOYSA-N
rxn:4:213129:226730,COc1nc(-c2cnc(OC3CCC3)nc2Cl)cn1C1CCN(C(=O)OC(C)(C)C)CC1,DJDKYAHOZCBVCO-UHFFFAOYSA-N
rxn:4:213134:222546,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,WJNSDLGVWYYHEZ-UHFFFAOYSA-N
rxn:4:213138:225975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCOCC4)c3Cl)cnc2F)CC1,KDEWVIHFPYTDJU-UHFFFAOYSA-N
rxn:4:213139:223654,Cc1ccc(S(=O)(=O)n2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc3cccnc32)cc1,BBUYCKQPOAPLCL-UHFFFAOYSA-N
rxn:4:213139:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,MNGPCIFZNPVNNF-UHFFFAOYSA-N
rxn:4:213139:223933,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,UBDPWRZGKIDNNZ-UHFFFAOYSA-N
rxn:4:213143:222929,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)ccc2[N+](=O)[O-])CC1,GUOGGALXFXDWLD-UHFFFAOYSA-N
rxn:4:213143:228440,COc1cc(Cl)c(F)c(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,BTVMTSKBLPCPQR-UHFFFAOYSA-N
rxn:4:213144:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,PWJUMGCMHXKJQL-UHFFFAOYSA-N
rxn:4:213147:222631,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c2)CC1,DYHMGMFDUMUYLS-UHFFFAOYSA-N
rxn:4:213162:225213,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCN(C)CC5)cc4Cl)cn3)CC2)cc1F,FPOHBZWGORQTPJ-UHFFFAOYSA-N
rxn:4:213217:222812,CCN1CCN(c2ncc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)cc2C(=O)OC(C)(C)C)CC1,DQSQLLORHJFBPQ-UHFFFAOYSA-N
rxn:4:213246:224730,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)ccc4OCC(C)C)cc3)CC2)n1,MHSCYHKWIULHLF-UHFFFAOYSA-N
rxn:4:213257:223776,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,ZIHMFVDFCRFCLP-UHFFFAOYSA-N
rxn:4:213320:223886,COC(=O)c1nc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)n2c1CN(C(=O)OC(C)(C)C)CC2,HUORKXMWHVHLIB-UHFFFAOYSA-N
rxn:4:213320:225852,COC(=O)c1nc(-c2cnc(C3CCCCC3)nc2Cl)n2c1CN(C(=O)OC(C)(C)C)CC2,AXNAHTKBPOOMAV-UHFFFAOYSA-N
rxn:4:213320:226366,COC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,LQZYBTVLBXJCNV-UHFFFAOYSA-N
rxn:4:213380:222546,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc1)SCC2)N1CCCCC1,IWAIQVDGFVOVHU-UHFFFAOYSA-N
rxn:4:213393:225898,COc1cc(OC)cc(C(=O)N2CCN(c3nc4ccc(-c5cnn(CCN6CCOCC6)c5)cc4s3)CC2)c1,VNCGGXMHWJBTAL-UHFFFAOYSA-N
rxn:4:213428:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)ccc2c1,OXKRYHJSJHTHKL-YYMSGCCCSA-N
rxn:4:213474:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc2F)CC1,BOBVQLKRHWNVJM-DHUJRADRSA-N
rxn:4:213642:223525,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,ZNNMMSYDLUZZCY-UHFFFAOYSA-N
rxn:4:213659:223945,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,ZEIHJDVVFACEKY-UHFFFAOYSA-N
rxn:4:213661:222684,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,WHVQYPTVLJZBRC-UHFFFAOYSA-N
rxn:4:213663:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,OYQPLCSYIHJHKP-UHFFFAOYSA-N
rxn:4:213672:223790,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)CC1,HHVSAJSNHOYJLB-UHFFFAOYSA-N
rxn:4:213672:223883,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1,RNMYBIFDPIBXKI-UHFFFAOYSA-N
rxn:4:213715:223578,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cn2)C1,DIIPBGADINFREI-UHFFFAOYSA-N
rxn:4:213765:222546,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)C1,VJKFLXDHZGCXCF-UHFFFAOYSA-N
rxn:4:213766:223581,COC(=O)c1cccc2cc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)n(C(=O)OC(C)(C)C)c12,JLQCDZULURBAIU-UHFFFAOYSA-N
rxn:4:213769:224962,CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccccc2COC2CCOCC2)cn1,ITENNPUUZYMYGH-UHFFFAOYSA-N
rxn:4:213799:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)c1,WEBHUQFZIJQCIY-UHFFFAOYSA-N
rxn:4:213799:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ncn2)c(C(F)(F)F)c1,AKPOFGRPZPYWPM-UHFFFAOYSA-N
rxn:4:213799:224269,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)ncn2)C1,RKAPXTYRRFSUTG-UHFFFAOYSA-N
rxn:4:213800:225875,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCOCC3)cc2Cl)ncn1,FUUWGMYDYAHQSA-UHFFFAOYSA-N
rxn:4:213828:222891,COc1cc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc(C2CCNCC2)n1,JHZKKRIQRLXFRL-UHFFFAOYSA-N
rxn:4:213831:224819,CC(C)CN1CCCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)C1,DYWUATKPEIREEV-UHFFFAOYSA-N
rxn:4:213833:224271,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)n2)CC1,FUGHNIKAKXDFBU-UHFFFAOYSA-N
rxn:4:213834:223938,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cn2)C1,VUCVHBOVXNZYOU-UHFFFAOYSA-N
rxn:4:213835:223671,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,VKMUSCPDOXNLOH-UHFFFAOYSA-N
rxn:4:213836:224160,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1,MIHDWQFKHRUDBW-UHFFFAOYSA-N
rxn:4:213836:225829,CC1CCN(c2ncc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,DUZNMXZCNWAMMH-UHFFFAOYSA-N
rxn:4:213839:224761,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,WFHHWALAVGTUMW-UHFFFAOYSA-N
rxn:4:213839:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1,LOWKFVGQCPDKJW-UHFFFAOYSA-N
rxn:4:213849:222584,O=C(C1CCCO1)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,PAPHYWDZSHISOM-UHFFFAOYSA-N
rxn:4:213865:222719,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)C1,WLGMQEBWWINZLL-UHFFFAOYSA-N
rxn:4:213868:222741,O=S(=O)(c1cccc(Cl)c1)N1CCCC(Oc2ncc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cn2)C1,XHYJHJWJGMYDHT-UHFFFAOYSA-N
rxn:4:213875:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,QOTGWSPOARZCNT-UHFFFAOYSA-N
rxn:4:213876:223884,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc2)CC1,HRVWARLLANQPIQ-UHFFFAOYSA-N
rxn:4:213877:224280,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,CEIIXVFYICFRKO-UHFFFAOYSA-N
rxn:4:213884:226652,Cc1cc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)n(C2CCCCO2)n1,KMZRZGDRPFOVCO-UHFFFAOYSA-N
rxn:4:213888:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)ccn2)CC1,ZCZMHRUJTVVEHZ-UHFFFAOYSA-N
rxn:4:213888:224720,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)n2)C1,KBNKKRNEAYBGSH-UHFFFAOYSA-N
rxn:4:213892:225898,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnn(CCN3CCOCC3)c2)CC1,CQJJWYJQVHPPES-UHFFFAOYSA-N
rxn:4:213894:225890,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(COCC[Si](C)(C)C)c3)cn2)CC1,DOXNMTISESUFSV-UHFFFAOYSA-N
rxn:4:213895:225338,CC(C)(C)OC(=O)N1CCCCC1c1ncc(-c2ccc(F)c(COCC(F)(F)F)c2)cn1,RWLITBDUNIPROS-UHFFFAOYSA-N
rxn:4:213897:225984,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,RQBIOFOQBYSUGV-UHFFFAOYSA-N
rxn:4:213900:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)CC1,HQDAMIZBOOQQJP-UHFFFAOYSA-N
rxn:4:213900:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,NSIXATOKCLXOMO-UHFFFAOYSA-N
rxn:4:213900:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,DLIUTDLILLDCOF-UHFFFAOYSA-N
rxn:4:213900:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1,IJSJGEWOVDPRKO-UHFFFAOYSA-N
rxn:4:213901:223933,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)CC1,YOYUKZJKOYKIDD-UHFFFAOYSA-N
rxn:4:213933:228499,Cn1nc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,GWAQDUZKOIPCSH-UHFFFAOYSA-N
rxn:4:213942:223576,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,LDESPJJIYCVKNY-UHFFFAOYSA-N
rxn:4:213943:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn[nH]c3C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,BXBLKNNOXDZBIV-UHFFFAOYSA-N
rxn:4:213943:224160,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,FXOBFHUKFKRUOP-UHFFFAOYSA-N
rxn:4:213976:226421,CC1CN(c2cccc(-c3ccc(Cl)cc3N3CCCC3)n2)CCN1C(=O)OC(C)(C)C,YPQBOPGHJIQJEN-UHFFFAOYSA-N
rxn:4:213976:226718,COc1nc(OC)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)n2)cc1SC,PYUREADDKNFYQN-UHFFFAOYSA-N
rxn:4:213979:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)cc1C,YXPBRROQXLYCJY-UHFFFAOYSA-N
rxn:4:213980:225561,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccccc2C(=O)OC(C)(C)C)n1,KLNHNRNCQRCUHY-UHFFFAOYSA-N
rxn:4:214000:225898,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnn(CCN3CCOCC3)c2)cc1F,IAMQBMWHYZJQOO-UHFFFAOYSA-N
rxn:4:214000:226549,CCOc1c(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)cc1OC,ZSXTTZUTWPLRGK-UHFFFAOYSA-N
rxn:4:214005:224009,COc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,JCTVZHWIMNANNT-UHFFFAOYSA-N
rxn:4:214011:222628,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,JHMKTDNUJWZCDK-UHFFFAOYSA-N
rxn:4:214011:225978,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2)c(C)c1S(=O)(=O)N1CCCC1,QKWBRBFRHBBUQJ-UHFFFAOYSA-N
rxn:4:214015:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCOCC4)c3)cc2)CC1,SHRFGXJCVMQQQS-UHFFFAOYSA-N
rxn:4:214015:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCOCC4)c3)cc2)CC1,SHRFGXJCVMQQQS-KWQFAZJVSA-N
rxn:4:214025:223532,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,DGKUGFQULIXAMX-UHFFFAOYSA-N
rxn:4:214038:224817,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C2)cc1C,AYSUXQPIRNVRAO-UHFFFAOYSA-N
rxn:4:214041:223608,O=S(=O)(c1ccccc1)N1CCC(c2nc(-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cc3)no2)CC1,TXZXRDLIIWJZFS-UHFFFAOYSA-N
rxn:4:214043:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1-c1noc(C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1,VYEUWGZTVHWZDR-UHFFFAOYSA-N
rxn:4:214047:223776,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2,NYZJQTJFKUHBBJ-UHFFFAOYSA-N
rxn:4:214047:224290,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(Cl)cc1OCCN1CCOCC1,MOBNZXSZLORHQX-UHFFFAOYSA-N
rxn:4:214048:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1C,UAXPPEUMHNQBSU-UHFFFAOYSA-N
rxn:4:214054:224132,CN(C(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1)C1CCCCC1,QQFMPGFQWORKCP-UHFFFAOYSA-N
rxn:4:214065:226177,Cc1nn(C(=O)c2ccc(-c3ccnc(C4CCCCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,AJXFHFWAEBVWGM-UHFFFAOYSA-N
rxn:4:214071:228974,CS(=O)(=O)n1cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2)cn1,ZSFWQSTZLYSARV-UHFFFAOYSA-N
rxn:4:214074:223508,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,JTOXNGIVYYBDJO-UHFFFAOYSA-N
rxn:4:214074:224771,Cc1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC(C)C4)c3C)cc2)cc1S(=O)(=O)N1CCCC1,LQAPIRLVSNCECX-UHFFFAOYSA-N
rxn:4:214135:224774,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)nc2n1CCOC2,FMGOAPSOSVRYJT-UHFFFAOYSA-N
rxn:4:214145:225633,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(N4CCCCCC4)nc3)c2C1,TWUBSIZDAWBBOG-UHFFFAOYSA-N
rxn:4:214145:228211,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cc(N4CCCC4)cs3)c2C1,TUVOKMWLQIFYFK-UHFFFAOYSA-N
rxn:4:214201:223581,COC(=O)c1cccc2cc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)n(C(=O)OC(C)(C)C)c12,UFWUUOLHHCPYJT-UHFFFAOYSA-N
rxn:4:214201:226502,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3ccn(C(=O)OC(C)(C)C)c3)cn1)C2,INYWXZVVARGSKV-UHFFFAOYSA-N
rxn:4:214202:223094,CC(=O)Nc1cc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)ccc1[N+](=O)[O-],YJWCWWJRCBCWSW-VPWXQRGCSA-N
rxn:4:214236:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)cc2C1,ZMDWLEIDBBPBDL-UHFFFAOYSA-N
rxn:4:214236:223938,CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)C1,WLWZTDYDQMYMPN-UHFFFAOYSA-N
rxn:4:214255:223499,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2c(Cl)ncnc21,DZKKOCRNYLWAHE-UHFFFAOYSA-N
rxn:4:214276:223935,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cnc3[nH]2)CC1,MSORCSYVFOKQRY-UHFFFAOYSA-N
rxn:4:214276:226021,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cc(Cl)ccc4OCC(F)(F)F)cnc3[nH]2)CC1,USGLIFVFGVMJGG-UHFFFAOYSA-N
rxn:4:214277:223521,CC(c1cccc(-c2cc3c(cnn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NUQZFLWOYUMSLF-UHFFFAOYSA-N
rxn:4:214304:225634,Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1N1CCCCC1,GNGCLPFTCWPYHJ-UHFFFAOYSA-N
rxn:4:214304:227512,COC(=O)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(C)cn1,AQURIPURERSHKR-UHFFFAOYSA-N
rxn:4:214304:228239,COc1nc(C)c(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1C,CJFZCVMZRMGXGY-UHFFFAOYSA-N
rxn:4:214304:228715,Cc1nc(C#N)ccc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,JUHXFJFQGOBLCL-UHFFFAOYSA-N
rxn:4:214336:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)cc3)cc2)CC1,QVJKACUVQZHNAI-KWQFAZJVSA-N
rxn:4:214390:225875,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCOCC5)cc4Cl)ccc2OC32CCN(C(C)=O)CC2)cc1,QAXZHHVZKBBGGV-UHFFFAOYSA-N
rxn:4:214628:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CCN(c3nccs3)C(=O)C2)o1,AHISPARHNOZPJG-UHFFFAOYSA-N
rxn:4:214644:223993,Cc1cc(-c2nc(OC(C)C)n(C3CCCCO3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,YLXBTKWQCBQVBF-UHFFFAOYSA-N
rxn:4:214660:223945,Cn1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,MUTYAEUJNQAGTP-UHFFFAOYSA-N
rxn:4:214661:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCCC(C(F)(F)F)C4)cnn3C)cc2F)CC1,GCBGKQBDJVFRQQ-UHFFFAOYSA-N
rxn:4:214710:222630,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,OWGNKGZEASVQGD-UHFFFAOYSA-N
rxn:4:214734:222621,CC(C)Cc1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(Cl)c2)cc(C2CCCNC2)n1,OTJBVGBHOTYBKQ-UHFFFAOYSA-N
rxn:4:214765:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])c(F)c2)CC1,RNIMNGKNMOMIAV-MEMLXQNLSA-N
rxn:4:214766:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,MNENYZRDQGQEQU-UHFFFAOYSA-N
rxn:4:214818:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,WPBAFHMGNUWCKS-UHFFFAOYSA-N
rxn:4:214820:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)c2)CC1,GIIRHIBBVMYJMF-UHFFFAOYSA-N
rxn:4:214830:226259,CCCCOc1ccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1Cl,VLRDIKIKJHTHGD-UHFFFAOYSA-N
rxn:4:214836:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1Cl,LFCZUPNPHDCQJC-UHFFFAOYSA-N
rxn:4:214837:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1Cl,GREIMDLUJHSMQZ-UHFFFAOYSA-N
rxn:4:214838:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,CMXGUGBQWDSZIU-UHFFFAOYSA-N
rxn:4:214839:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,UATKGUMAAZJMCU-UHFFFAOYSA-N
rxn:4:214862:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,KGSOQWGSFZXFSZ-UHFFFAOYSA-N
rxn:4:214866:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,LGKGTBXGCIVZES-UHFFFAOYSA-N
rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
rxn:4:214871:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,BLLJOTXITGCEAQ-UHFFFAOYSA-N
rxn:4:214873:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,OQWUVZRQVURSLH-UHFFFAOYSA-N
rxn:4:214874:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(F)c2)CC1,FQXUNKXKICSEEN-SOHZNPICSA-N
rxn:4:214874:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1F,ADGFIDRDLLHMRS-UHFFFAOYSA-N
rxn:4:214883:227875,O=C(C1CCN(c2ccncc2-c2cccc3c2CCCO3)CC1)N1CCC(F)(F)CC1,IVESXSKEASNPKF-UHFFFAOYSA-N
rxn:4:214889:223010,CN1CCN(Cc2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2N2CCCC2)CC1,LXOCPLYCPHIHNX-UHFFFAOYSA-N
rxn:4:214894:223010,CN1CCN(Cc2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2N2CCOCC2)CC1,IVVPZADFYYKUCG-UHFFFAOYSA-N
rxn:4:214900:223010,CN1CCN(Cc2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2N2CCCCC2)CC1,NIOXIJOPISGNHK-UHFFFAOYSA-N
rxn:4:215016:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)cc2F)CC1,XZBRDUFQGGAUJT-UHFFFAOYSA-N
rxn:4:215027:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cc2)CC1,GCIDRJSEMGCWHS-UHFFFAOYSA-N
rxn:4:215058:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,MAFNQYVQLKMYKE-UHFFFAOYSA-N
rxn:4:215062:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)C2,NMBUUZAEOHGXID-UHFFFAOYSA-N
rxn:4:215096:224290,CC1c2cnc(-c3ccc(Cl)cc3OCCN3CCOCC3)n2CCN1C(=O)OC(C)(C)C,ODJDJQCRVGDETI-UHFFFAOYSA-N
rxn:4:215096:224992,CC1c2cnc(-c3ccccc3CN3CCC(=O)CC3)n2CCN1C(=O)OC(C)(C)C,ZOEFTEQWGQEXLI-UHFFFAOYSA-N
rxn:4:215101:224161,CC(C)(C)OC(=O)N1CCc2cnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)n2CC1,WPRLVTJVMKWGHL-UHFFFAOYSA-N
rxn:4:215110:225312,Cc1nc(-c2cnc(N3CCCN(C)CC3)nc2)c2n1CCN(C(=O)OC(C)(C)C)C2,DLFHCESAXGRQCS-UHFFFAOYSA-N
rxn:4:215146:222974,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4ccc(C(=O)NC(C)(C)C)cc4)c3)c2C1,DGTLQDYFUDKGBI-UHFFFAOYSA-N
rxn:4:215198:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)sc2c1,ASENSURTDVVBIE-UHFFFAOYSA-N
rxn:4:215326:223480,COCn1ncnc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,SZGADTVCDGPXJH-UHFFFAOYSA-N
rxn:4:215848:224416,CS(=O)(=O)N1CCC(n2cc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cn2)CC1,OVZKLUORGNVHTP-UHFFFAOYSA-N
rxn:4:215897:224015,Cc1cc(F)c(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc1S(=O)(=O)N1CCOCC1,DXDZPCRVKJOWET-UHFFFAOYSA-N
rxn:4:215897:224416,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1,KZOXQUYMFJEZTE-UHFFFAOYSA-N
rxn:4:215900:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,PSEOEUJODNUACX-UHFFFAOYSA-N
rxn:4:215905:224394,Cc1ccc(-c2c(C)nc(N3CCOCC3)c(C#N)c2C)cc1S(=O)(=O)N1CCOCC1,LUOWBFDRYWYDDJ-UHFFFAOYSA-N
rxn:4:215940:223834,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NMVQTWRFGYWNBE-UHFFFAOYSA-N
rxn:4:215943:223993,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GSDUQFABMRCWHA-UHFFFAOYSA-N
rxn:4:215970:224280,CSc1ncc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c(N2CCC3(CC2)OCCO3)n1,RULBAZUGGXZBAH-UHFFFAOYSA-N
rxn:4:216146:224394,Cc1ccc(-c2nc3n(c2S(=O)(=O)N(C)C)CCOC3)cc1S(=O)(=O)N1CCOCC1,LLZOLVHOMYNTSP-UHFFFAOYSA-N
rxn:4:216580:223482,Cc1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C#N)c1C,NFEMASKJLJPFSV-UHFFFAOYSA-N
rxn:4:217181:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3nc(C)cc(N4CCCCC4)n3)cc2C)CC1,KRSQNSYIBNTLKM-UHFFFAOYSA-N
rxn:4:217420:223539,COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3n2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,KZJBDMVUPSQMFI-UHFFFAOYSA-N
rxn:4:217905:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,UCYRSUPDXIFMMD-UHFFFAOYSA-N
rxn:4:217905:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,MCPSPKAJSDHUCH-UHFFFAOYSA-N
rxn:4:218471:223602,CN1CCn2nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2C1=O,SXZMULIQWAFVPL-UHFFFAOYSA-N
rxn:4:218578:224986,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(N4CCCCC4)cc3C#N)cn2)CC1,FAHFXBRLJFHSBU-UHFFFAOYSA-N
rxn:4:218603:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)CN5C(=O)CCC5=O)C4)nc3)cc2)CC1,MWSJDBKQJXYYJQ-ANRZFKABSA-N
rxn:4:218605:223812,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,SVZBISBRMZYQQV-UHFFFAOYSA-N
rxn:4:218606:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5OC)C4)nc3)c2)CC1,DODAYZOHFHISMZ-UHFFFAOYSA-N
rxn:4:218643:225217,CC1CCCN(c2cc(F)c(-c3cncc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)c3)cn2)C1,JZPWVSPXUPOGEA-UHFFFAOYSA-N
rxn:4:218705:225975,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)n[nH]2)CC1,REUGXZLSQFLLKQ-UHFFFAOYSA-N
rxn:4:218706:224818,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)c3C)CC2)cc1C,UEUXLNVZSOTJRW-UHFFFAOYSA-N
rxn:4:218711:226089,CCN(CC)Cc1ccccc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,XYIUDFBUJGYZHS-UHFFFAOYSA-N
rxn:4:218714:225320,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(N5CCOCC5)c(F)c4F)c3C)CC2)c(C)c1,BQXYWOFTHUNHHL-UHFFFAOYSA-N
rxn:4:218778:223669,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc(Cl)cc32)cc(C)c1F,UHKZWHHWXIFXAJ-UHFFFAOYSA-N
rxn:4:218815:224746,CC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(C(=O)CN5C(=O)CCC5=O)C4)c3)cn2)CC1,YNTNGVJQIZSVIB-UHFFFAOYSA-N
rxn:4:218851:223937,CN(c1cnc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cn1)C1CN(C(=O)OC(C)(C)C)C1,NSAHHDXJKIMKOM-UHFFFAOYSA-N
rxn:4:218854:222546,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3Cl)C2)nn1,VBUWFZGIBLPUBY-UHFFFAOYSA-N
rxn:4:218887:222634,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,MTWWMMYDOAHHLQ-UHFFFAOYSA-N
rxn:4:218899:223696,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)CC2)cc1,GPQYMUUURUSODM-UHFFFAOYSA-N
rxn:4:218903:225977,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cc2C#N)CC1,XMUYJCMNLTYDIR-UHFFFAOYSA-N
rxn:4:218917:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,LFQISUSZYQNRQM-UHFFFAOYSA-N
rxn:4:218920:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(Oc5ncc(OC)cn5)CC4)c3)c2)CC1,ORVOOBCMYGEBOG-UHFFFAOYSA-N
rxn:4:218970:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)c2)CC1,VMTCMICBTKFFOC-UHFFFAOYSA-N
rxn:4:218976:227457,Cc1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c2nnc(C)n2c1,IUIWQXFMMDSLTI-UHFFFAOYSA-N
rxn:4:218992:224375,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)cn3)C2)CC1,OMBZGAFLVPUQDS-UHFFFAOYSA-N
rxn:4:218998:223812,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,AETLGYUEXWOTRV-UHFFFAOYSA-N
rxn:4:219026:223040,CC1CN(C(=O)c2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,GBBUQRWVPQGBKM-UHFFFAOYSA-N
rxn:4:219026:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1,QDZDLDBWSIEJPQ-UHFFFAOYSA-N
rxn:4:219026:223498,CC1CN(C(=O)c2c(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)cnn2C)CCN1C(=O)OC(C)(C)C,AHJLZFYKIDLINP-UHFFFAOYSA-N
rxn:4:219027:223528,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnn1C,ZHSHPZHWPKZWLY-UHFFFAOYSA-N
rxn:4:219028:223588,Cc1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,AQIBUXBHUUSLJB-UHFFFAOYSA-N
rxn:4:219033:222717,Cc1cc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,ALHDVPOBLWXDNO-UHFFFAOYSA-N
rxn:4:219047:223581,COC(=O)c1cccc2cc(-c3ccc(OC)cc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)n(C(=O)OC(C)(C)C)c12,XTTVIXJXSXRXLE-UHFFFAOYSA-N
rxn:4:219047:223652,COc1ccc(-c2cc3c(Cl)ccc(OC)c3n2C(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,HSXBQPMCOVPYHW-UHFFFAOYSA-N
rxn:4:219051:223503,CN(c1cnc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,NEHQVDPGYZLVDR-UHFFFAOYSA-N
rxn:4:219051:223592,CN(c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,KGCQHIKRHATCPJ-UHFFFAOYSA-N
rxn:4:219051:225287,CN(c1cnc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,BSXVVIQTNMKGNT-UHFFFAOYSA-N
rxn:4:219053:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)c(F)c2)CC1,PKJQYEAXWBMHFM-RQNOJGIXSA-N
rxn:4:219120:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2)CC1,GXXDRRZGWIKPLE-MENDDUPDSA-N
rxn:4:219135:222424,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)c4)C3C2=O)cc1,BBNGRWAJUOMFLB-UHFFFAOYSA-N
rxn:4:219135:222858,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(C(=O)NCCN(C)C)c5)c4)C3C2=O)cc1,WHRDXWFXFBRQRS-UHFFFAOYSA-N
rxn:4:219135:222859,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C(=O)NCCN(C)C)cc5)c4)C3C2=O)cc1,HGIZGCRWIAYCRO-UHFFFAOYSA-N
rxn:4:219135:222935,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CNS(=O)(=O)N(C)C)cc5)c4)C3C2=O)cc1,PPKCDLMBFAACQK-UHFFFAOYSA-N
rxn:4:219135:222950,CONS(=O)(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)ccc1OC,VJBUAFGBVRGGLE-UHFFFAOYSA-N
rxn:4:219135:223023,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CNC(=O)N(C)C)cc5)c4)C3C2=O)cc1,MZEMUGNWAYXTIH-UHFFFAOYSA-N
rxn:4:219135:223110,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CNC(C)(C)C)cc5)c4)C3C2=O)cc1,NRRNQSTVMKTHEA-UHFFFAOYSA-N
rxn:4:219135:223177,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CNS(C)(=O)=O)cc5)c4)C3C2=O)cc1,BLJLBLWMZYBRAT-UHFFFAOYSA-N
rxn:4:219135:225262,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C(=O)N(C)OC)cc5OC)c4)C3C2=O)cc1,MHYOIHOWOINOGJ-UHFFFAOYSA-N
rxn:4:219135:226149,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(C(C)(C)C)c5)c4)C3C2=O)cc1,TZUUQOJVNRBWFR-UHFFFAOYSA-N
rxn:4:219135:226261,CCOc1ccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)cc1OCC,OPUMYDPOFXTTRJ-UHFFFAOYSA-N
rxn:4:219135:226276,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(CN(C)C)c5)c4)C3C2=O)cc1,NGSDBNUGTZYKSK-UHFFFAOYSA-N
rxn:4:219135:226294,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC(C)C)cc5OC)c4)C3C2=O)cc1,NOINOLCUWAJGSI-UHFFFAOYSA-N
rxn:4:219135:226478,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OC)ccc5OCC#N)c4)C3C2=O)cc1,VAMZQRCZKIIKNP-UHFFFAOYSA-N
rxn:4:219135:227121,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C(C)(C)C)cc5Cl)c4)C3C2=O)cc1,YQHPDTLELFCCNX-UHFFFAOYSA-N
rxn:4:219136:222858,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4cccc(C(=O)NCCN(C)C)c4)C3C2=O)cc1,GDUUIYHQPOZPRN-UHFFFAOYSA-N
rxn:4:219136:223150,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccnc(NCCN(C)C)c4)C3C2=O)cc1,BFUVBWWGRNQYKG-UHFFFAOYSA-N
rxn:4:219136:227259,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4cc(CSC)ccc4OC)C3C2=O)cc1,QBBRHHZPEBGDEQ-UHFFFAOYSA-N
rxn:4:219205:222584,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,WVRHXUDXKRDKFT-UHFFFAOYSA-N
rxn:4:219334:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1,RQDTUWJZKYHSIO-UHFFFAOYSA-N
rxn:4:219336:224976,N#Cc1c(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cccc1N1CCCCC1,HHTNSOHDCAJXTL-UHFFFAOYSA-N
rxn:4:219364:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,RPPLDFOXKAOKSK-UHFFFAOYSA-N
rxn:4:219371:223533,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,CEYJREIBGXZUKA-UHFFFAOYSA-N
rxn:4:219372:223529,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,VDIXCGOTNZEENB-UHFFFAOYSA-N
rxn:4:219372:223932,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,PUBWWBAPGMBHEA-UHFFFAOYSA-N
rxn:4:219401:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nnc(N2CCCN(C(=O)OC(C)(C)C)CC2)s1,CFYSNLXDCHRQBD-UHFFFAOYSA-N
rxn:4:219401:226514,CCc1cnc(C(=O)OC)cc1-c1nnc(N2CCCN(C(=O)OC(C)(C)C)CC2)s1,YKDSKVJLSUCQSS-UHFFFAOYSA-N
rxn:4:219404:223790,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)CC1,IPBKSDPIOQKBRU-UHFFFAOYSA-N
rxn:4:219405:222634,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,ZWESTOKFAFAHMJ-UHFFFAOYSA-N
rxn:4:219406:222947,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(O)C4)nc3Cl)n2)CC1,HDYUEBUEWGMGOS-UHFFFAOYSA-N
rxn:4:219410:222628,O=S(=O)(N1CCOCC1)N1CCC(Oc2ncc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cn2)C1,VQPDQHRXUCECSB-UHFFFAOYSA-N
rxn:4:219432:222389,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)C2)cn1C,UPIUCLIGFOFPMP-UHFFFAOYSA-N
rxn:4:219432:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccnc3OC3CCN(S(=O)(=O)c4cn(C)c(C)n4)C3)cc2C)CC1,QROZYUZCOQVDFR-UHFFFAOYSA-N
rxn:4:219452:226654,Cc1nc(-c2csc(N3CCC(C)CC3)n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,OHLBYKMJRNETFY-UHFFFAOYSA-N
rxn:4:219454:225652,Cc1c(-c2cncc(N3CCCC(C)C3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,COQVXCIKEDSHCE-UHFFFAOYSA-N
rxn:4:219454:225829,Cc1c(-c2cnc(N3CCC(C)CC3)nc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,MFFQOFCSNHDBDL-UHFFFAOYSA-N
rxn:4:219454:226422,Cc1c(-c2cc(F)ccc2N2CCCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,FIQHKGSHIANEGK-UHFFFAOYSA-N
rxn:4:219456:223788,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)n1,QNGAGZHZIXWZDK-UHFFFAOYSA-N
rxn:4:219456:226364,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(N3CCCCC3)nc2)n1,OQIWSFHIVQVIAX-UHFFFAOYSA-N
rxn:4:219469:227742,CSc1ncc(-c2ccc(C(F)(F)F)cc2Cl)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,FNYQFCWCGYPMGO-UHFFFAOYSA-N
rxn:4:219469:228349,CSc1ncc(-c2cnn(C3CCOC3)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,FDWADTVPFXPXPM-UHFFFAOYSA-N
rxn:4:219471:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BEBZNQBFENVCQZ-UHFFFAOYSA-N
rxn:4:219473:222584,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,BPMFJKXSNJKJLT-UHFFFAOYSA-N
rxn:4:219489:222948,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(O)CC2)nc1Cl,UKUNIPDERDLAFI-UHFFFAOYSA-N
rxn:4:219494:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnccc1OC1CCN(c2cc(C)nc(C3CC3)n2)C1,BKGYODPWFWVSEF-UHFFFAOYSA-N
rxn:4:219533:225986,CSc1ncc(-c2ccccc2N2CCCS2(=O)=O)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,BMMRENYEPZOLRH-UHFFFAOYSA-N
rxn:4:219543:222987,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4C)cc3)CC2)n1,PZQCRWIRPNSXMY-UHFFFAOYSA-N
rxn:4:219552:227480,CCCOc1nccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1Cl,JZSKOSICGOVFQI-UHFFFAOYSA-N
rxn:4:219552:229087,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1sccc1C(C)=O,MFWJPOHQTLACBV-UHFFFAOYSA-N
rxn:4:219552:229168,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1sc(C)nc1OC,YLGZDAZVSDTPTM-UHFFFAOYSA-N
rxn:4:219569:223847,CCCCCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)cc2)CC1,WZXIEQOKQKCBER-UHFFFAOYSA-N
rxn:4:219569:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)cc2)CC1,SFJBGOMBADMMGF-SOAUALDESA-N
rxn:4:219688:223790,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cn3n2)CC1,YTIPQAOOTQLREL-UHFFFAOYSA-N
rxn:4:219689:223790,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)n3c2)CC1,DUYFLYCEIOPQDK-UHFFFAOYSA-N
rxn:4:219689:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn12,DOUOXWQEJITGIZ-UHFFFAOYSA-N
rxn:4:219691:223169,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cnc(C5CCNCC5)nc4)c3n2)C1,MSZICESXCLTUSM-UHFFFAOYSA-N
rxn:4:219692:224269,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c3cnc(Cl)nc32)CC1,AHXHPAGXCZJAOG-UHFFFAOYSA-N
rxn:4:219704:225172,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3n2)CC1,IJOZHOHAIJRHFJ-UHFFFAOYSA-N
rxn:4:219706:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cnc1Cl,PBMLAZFSFNCZRD-UHFFFAOYSA-N
rxn:4:219710:223530,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)C3C2=O)c1,PXWRZVUUOQTSSU-UHFFFAOYSA-N
rxn:4:219710:223536,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C)c4)C3C2=O)c1,JWOJAMSYBNBARD-UHFFFAOYSA-N
rxn:4:219767:222948,CN1CCN(n2c3c(c(SCc4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)nc2=O)CCC3)CC1,QOMNUDPESCQSMY-UHFFFAOYSA-N
rxn:4:219878:223840,COc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,NTWDKVHHRGZLAP-UHFFFAOYSA-N
rxn:4:219904:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)c2)CC1,VDPGNIAOYWEELD-UHFFFAOYSA-N
rxn:4:219904:225295,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)CC1,GBQJSXFYVYBWPG-UHFFFAOYSA-N
rxn:4:219955:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,GFHBINZNOMHIDB-UHFFFAOYSA-N
rxn:4:219959:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,JSMOPNKYXWMKJF-UHFFFAOYSA-N
rxn:4:219962:222634,Cc1cc(-n2nnc(C(=O)N3CCSCC3)c2C)ccc1-c1ccc(OCCNC2CCCC2)c(F)c1,VMATZFXKHBEOBQ-UHFFFAOYSA-N
rxn:4:219996:223835,Cc1cc(F)c(-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,RHDVJLVUKXYPRX-UHFFFAOYSA-N
rxn:4:220039:224704,CC1CCN(c2cc(-c3nnc4n3CN(C(=O)OC(C)(C)C)CC4)cc(F)c2F)CC1,BVFYFUUCHMMQSS-UHFFFAOYSA-N
rxn:4:220039:224790,CCCOc1cc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)ccc1OC(F)(F)F,AKPRZIBHKVDENC-UHFFFAOYSA-N
rxn:4:220041:223480,Cc1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LHALGCNDZOYFNT-UHFFFAOYSA-N
rxn:4:220069:223888,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)n2CC1,WGDYDJTYSRESFO-UHFFFAOYSA-N
rxn:4:220069:225009,Cc1cnc(OC2CCCCC2)c(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)c1,AUTLIOAWYRTFPY-UHFFFAOYSA-N
rxn:4:220070:224350,CC(C)(C)OC(=O)N1CCCn2nc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)nc2C1,OUFJJRBYWGNNFB-UHFFFAOYSA-N
rxn:4:220070:225007,CC(C)(C)OC(=O)N1CCCn2nc(-c3cccc(CN4CCCCC4)c3F)nc2C1,ZKZDDPOJVUKIAL-UHFFFAOYSA-N
rxn:4:220070:225181,CC(C)(C)OC(=O)N1CCCn2nc(-c3cccc(CN4CCOCC4)c3F)nc2C1,RNJZXZOIQYKPAD-UHFFFAOYSA-N
rxn:4:220070:225304,CC(C)(C)OC(=O)N1CCCn2nc(-c3cc(C(F)(F)F)cnc3C(C)(C)C)nc2C1,RULIMSWTMFALEX-UHFFFAOYSA-N
rxn:4:220154:224760,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1,HZIZXEZZFWVOBE-UHFFFAOYSA-N
rxn:4:220154:224820,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)N1Cc2cnc(N3CCOCC3)nc2C1,GBZLRPDEIZIYIS-UHFFFAOYSA-N
rxn:4:220205:226259,CCCCOc1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1Cl,VXEPUIDTDTUNBF-UHFFFAOYSA-N
rxn:4:220224:226836,CC(C)n1cc(-c2ccc(C3Cn4nnc(C(=O)N5CCCCCC5)c4CO3)cc2)c(C(F)(F)F)n1,ZOXYBBYTPXMBGW-UHFFFAOYSA-N
rxn:4:220393:223536,CC(=O)N1CCN(c2ncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SCSOTTYWABACAE-UHFFFAOYSA-N
rxn:4:220461:223659,CC(C)C(=O)N1CCn2nc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2C1,DETNVLZBGSTZRJ-UHFFFAOYSA-N
rxn:4:220464:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2nc3n(n2)CCN(C(=O)C2CCC2)C3)cnc1Cl,UPMCTXYIJBNKLC-UHFFFAOYSA-N
rxn:4:220537:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc2nc(N3CCN(C4CCC4)CC3)ncc2c1,MFAPPUIUYZTIIP-UHFFFAOYSA-N
rxn:4:221114:225980,CCOc1ccc(-c2cc(N3CCOCC3)ncc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GXIKTMNMYDGIIF-UHFFFAOYSA-N
rxn:4:221165:223480,Cc1cc(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)C3)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NTOFIENKUAYNCS-UHFFFAOYSA-N
rxn:4:221173:224592,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)ccc1=O,PAPBNTMDDMQKKQ-UHFFFAOYSA-N
rxn:4:221175:223624,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(COc5ccc(C(C)(C)C)cc5C)c4)cn3)C2)C(=O)C1=O,HAHFKZHEWXZQEE-UHFFFAOYSA-N
rxn:4:221180:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)CC1,ZOYDQWQHMUZXIV-UHFFFAOYSA-N
rxn:4:221182:227490,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(OC(C)(C)C)nc4)cn3)CC2)C1=O,PLJUYQRVHZQWSA-UHFFFAOYSA-N
rxn:4:221198:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cc2Cl)CC1,WNRJRLXPNQOCAP-UHFFFAOYSA-N
rxn:4:221198:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)n(C(=O)OC(C)(C)C)c12,JBANBTWONTYUHL-UHFFFAOYSA-N
rxn:4:221198:224009,COc1ccc(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,KYAYSWNNQGRVNJ-UHFFFAOYSA-N
rxn:4:221204:222466,c1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,CROXPFROENWBHV-UHFFFAOYSA-N
rxn:4:221205:225588,c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c(CN2CCSCC2)c1,MHFZQJXPNFRGBY-UHFFFAOYSA-N
rxn:4:221247:222948,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)nc2n(C)c1=O,VCCJWMNNBAHCAO-UHFFFAOYSA-N
rxn:4:221374:223812,Cn1ccnc(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1=O,OGPWEYJKBGEEMY-UHFFFAOYSA-N
rxn:4:221392:223650,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)n1,KHVYKYDREXMMKB-UHFFFAOYSA-N
rxn:4:221394:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1,NLJKQHSBNXYHIK-UHFFFAOYSA-N
rxn:4:221412:224759,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)n1,PRDZETXFHUUHSG-UHFFFAOYSA-N
rxn:4:221418:223812,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nn1,LRDNPSYARFMZJU-UHFFFAOYSA-N
rxn:4:221426:224015,Cc1cc(F)c(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1S(=O)(=O)N1CCOCC1,VYUBIQHXXGCDGK-UHFFFAOYSA-N
rxn:4:221431:222996,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(F)cc3C3CCCNC3)CC2)n1,WKFGJWIQDFVNPB-UHFFFAOYSA-N
rxn:4:221431:226128,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(=O)CC4CC4)cc3)CC2)n1,VVIPLSARLPAQOV-UHFFFAOYSA-N
rxn:4:221442:226649,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cccnc3N3CCOCC3)CC2)n1,WEEPKASCHXTQHV-UHFFFAOYSA-N
rxn:4:221522:224280,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc6c(s5)CCN(C(=O)OC(C)(C)C)C6)cn4)CC3)cnc2c1,OJMLNJRGNLOYCO-UHFFFAOYSA-N
rxn:4:221642:228680,CCCn1nc(C)cc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,KZPABHCFKJQNHS-UHFFFAOYSA-N
rxn:4:221645:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)c2)CC1,CORKRJUHVOKXOK-UHFFFAOYSA-N
rxn:4:221645:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc2)c(Cl)c1,YCGASVOGGLKQBX-UHFFFAOYSA-N
rxn:4:221695:223697,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)C2)n2nccc2n1,PYBAFNWJXCYKNY-UHFFFAOYSA-N
rxn:4:221723:223773,COc1cccc2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)n(C(=O)OC(C)(C)C)c12,VKTOATIJKWHMLX-UHFFFAOYSA-N
rxn:4:221723:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc21,NSUVJVCDFBVFPW-UHFFFAOYSA-N
rxn:4:221731:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)ccc2Cl)CC1,GGQXYKJIDVUVLG-UHFFFAOYSA-N
rxn:4:221749:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(C(C)C)c(C)cn45)n(C)c3=O)cc2)c(C(F)(F)F)c1,XKYDQGQUZFMRSG-UHFFFAOYSA-N
rxn:4:221887:223835,Cc1cc(F)c(-c2n[nH]c(N3CCCN(C)CC3)n2)cc1S(=O)(=O)N1CCC(C)CC1,AOTZWWFJJHGDEF-UHFFFAOYSA-N
rxn:4:221952:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)cc2)CC1,QQMZMCRXYMHEDD-FBSWEULCSA-N
rxn:4:222008:223945,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n1C,GBQHGLQKQPKHLO-UHFFFAOYSA-N
rxn:4:222032:224406,CN(C)c1nccc(N2CCN(c3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cc3C(F)(F)F)CC2)n1,GEJHZFJFHREULD-UHFFFAOYSA-N
rxn:4:222124:224720,CC(C)(C)OC(=O)n1cc(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)c2)c(C2CC2)n1,VSVCOHWTIWNKTC-UHFFFAOYSA-N
rxn:4:222152:223646,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,JXPAXXTUUSEHEV-UHFFFAOYSA-N
rxn:4:222155:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc2)CC1,RAGWCTPDGWXWJV-UHFFFAOYSA-N
rxn:4:222166:223810,Cc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)ncn4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,FENLKSYNYOFJSG-UHFFFAOYSA-N
rxn:4:222166:223834,Cc1cc(-c2cnc(N3CCN(c4cc(C(C)(C)C)ncn4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OTGKVCGYSAAXBT-UHFFFAOYSA-N
rxn:4:222193:225313,CN1CCN(c2ccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c(F)n2)CC1,QPSYQDYMNVSDKA-UHFFFAOYSA-N
rxn:4:222321:223810,Cc1cc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,FQYIYPXYPLGUEA-UHFFFAOYSA-N
rxn:4:222331:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2Cl)CC1,ARSFRJSDIYDDHM-UHFFFAOYSA-N
rxn:4:222332:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,YHHAAVGGAYQCMB-UHFFFAOYSA-N
rxn:4:222332:224834,CN(C)S(=O)(=O)n1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c(C(F)(F)F)n1,STLOKTFZUUGHEH-UHFFFAOYSA-N
rxn:4:222364:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2F)CC1,BXABHVPMIDQIMR-UHFFFAOYSA-N
rxn:4:222513:174361,COc1ccc(OS(=O)(=O)c2ccc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)c(OC)c2)cc1,PGBXYALFVBUTMA-UHFFFAOYSA-N
rxn:4:222513:174600,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OC)c(S(=O)(=O)Oc2cccc3ccccc23)cc1OC,QMVYNRMXSXYZFO-UHFFFAOYSA-N
rxn:4:222513:176063,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC)c(S(=O)(=O)Oc2cc(C)cc(C)c2)c1,OYGZGAXSINFCSI-UHFFFAOYSA-N
rxn:4:222611:214135,CCN(CC)S(=O)(=O)c1c(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)nc2n1CCOC2,KGEGDQOWOSXAIU-UHFFFAOYSA-N
rxn:4:222722:207686,O=S(=O)(c1cccc(-c2cc(C(F)(F)F)cc3c2cnn3C2CCCCO2)c1)N1CCC(O)CC1,IGDAVXCYWAGQHP-UHFFFAOYSA-N
rxn:4:223540:196528,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(N2C(=O)CCC2=O)cc1,OTTCJMJQYMFFSE-UHFFFAOYSA-N
rxn:4:223540:198585,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc2c(s1)CCCC2=O,FLDRJFHCPZCNMI-UHFFFAOYSA-N
rxn:4:223640:177059,CCOC12C(=O)c3cc(F)cc(-c4cc(C(C)=O)cc(C(=O)OC)c4)c3C(=O)C1C2(C)C,DMQNUGRBYUCLCM-UHFFFAOYSA-N
rxn:5:176856:226837:226654,COC(=O)c1cc(-c2csc(N3CCC(C)CC3)n2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,DXZMCUXYDREOOO-UHFFFAOYSA-N
rxn:5:176860:226027:225452,COC(=O)c1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc(OC)c1-c1ccc(OC2C=CCCC2)cc1,GIYNEHCJEFWRQV-UHFFFAOYSA-N
rxn:5:176861:225452:226027,COC(=O)c1ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(-c2ccc(OC3C=CCCC3)cc2)c1OC,JPZSLWRBYISNMY-UHFFFAOYSA-N
rxn:5:176862:225452:226027,COC(=O)c1ccc(-c2ccc(OC3C=CCCC3)cc2)c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1OC,ULZRONIKHWAGMB-UHFFFAOYSA-N
rxn:5:176872:225941:225514,COC(=O)c1cc(OC)c(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(-c2cccc3c2OCC2(CC2)CO3)c1,IURWXSOECZRHTC-UHFFFAOYSA-N
rxn:5:177191:225456:225940,CN1CCC(c2ccc(-c3cc(-c4cc(C(F)(F)F)cnc4C4CC4)ccc3CC(=O)C3CC3)cc2)CC1,REDIEFKOJKPVCT-UHFFFAOYSA-N
rxn:5:177448:225927:225800,COc1ccc(-c2cc(C(F)(F)F)ccc2N(C)C)c(OC(C)C)c1-c1ccc(C(=O)N2CCSC2)cc1,WPRZDSCJXJYOSJ-UHFFFAOYSA-N
rxn:5:177733:223062:226679,CC(C)(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2cnc(N3CCCC3)cc2F)c1,MRHICFRJQSJFBD-UHFFFAOYSA-N
rxn:5:177733:225976:223294,CC(C)(C)OC(=O)c1cc(-c2csc(N3CCNCC3)n2)cc(-c2ccnc(N3CCOCC3)c2F)c1,UYYKWXNWLZCFJL-UHFFFAOYSA-N
rxn:5:177733:225980:225976,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,DINMAMGRTMYWJP-UHFFFAOYSA-N
rxn:5:177736:223064:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,KZVFKRRZTWJPOB-UHFFFAOYSA-N
rxn:5:177850:222991:226971,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCCOC2,JHHDZGXBKIWRQA-UHFFFAOYSA-N
rxn:5:177850:222995:226971,CCOc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(C2OCCO2)c1-c1ccc2c(c1)CCCOC2,BRNFPOFURWCUHF-UHFFFAOYSA-N
rxn:5:177850:223010:225617,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCCCO2)cc1,YINNPKZSGVHVMT-UHFFFAOYSA-N
rxn:5:177850:223010:225679,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2)cc1F,VTXXMZCUENOXTP-UHFFFAOYSA-N
rxn:5:177850:223010:226185,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCOCC2)cc1,HVOOZIRJVVWHBV-UHFFFAOYSA-N
rxn:5:177850:223010:226187,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(C2CCOCC2)c1,HPZFQQLOGINSAQ-UHFFFAOYSA-N
rxn:5:177850:223010:226197,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCOC2)cc1,HWUYDAUQOFNBBL-UHFFFAOYSA-N
rxn:5:177850:223010:226415,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccccc1N1CCOCC1,IXVRPEACBYQQLK-UHFFFAOYSA-N
rxn:5:177850:223010:226422,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(F)ccc1N1CCCC1,YWYBUWCLNMMJHU-UHFFFAOYSA-N
rxn:5:177850:223010:226452,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2OCCCO2)cc1,KUPIIHBSVHGXRZ-UHFFFAOYSA-N
rxn:5:177850:223010:226907,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc2c1CCC21CC1,SZWVKEXCLCVNSU-UHFFFAOYSA-N
rxn:5:177850:223010:227082,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccccc1N1CCCC1,ZCRDOMKUDIAJRD-UHFFFAOYSA-N
rxn:5:177850:223010:227125,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccccc1C1CCOC1,MRJPDEMHJMBLOW-UHFFFAOYSA-N
rxn:5:177850:223010:227126,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCOC2)cc1,CWHCMIKEGSJHNT-UHFFFAOYSA-N
rxn:5:177850:223010:227131,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(C2CCOC2)c1,ONSSIZCGVRWEPX-UHFFFAOYSA-N
rxn:5:177850:223010:227446,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2OCCO2)cc1,YZQZCFJGNUTAKL-UHFFFAOYSA-N
rxn:5:177850:223010:227448,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2COC2)c(F)c1,RVJUEBKUEUVVNB-UHFFFAOYSA-N
rxn:5:177850:223010:227452,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(C2OCCO2)c1,WANMMGMUOGWMEJ-UHFFFAOYSA-N
rxn:5:177850:223202:225407,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,HTSHHJZCUFDCTL-UHFFFAOYSA-N
rxn:5:177850:223202:225498,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,VQCNSQLLNLWLFF-UHFFFAOYSA-N
rxn:5:177850:223202:225499,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCC2)cc1F,MVWZOJQQISELAH-UHFFFAOYSA-N
rxn:5:177850:223202:225617,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCCCO2)cc1,NXCSJSHHOWDSEE-UHFFFAOYSA-N
rxn:5:177850:223202:225618,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cccc(OC2CCCCO2)c1,CCDNGFSVGQTLQR-UHFFFAOYSA-N
rxn:5:177850:223202:225884,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(C2COCCO2)c(F)c1,SFVHTZQQICRPRU-UHFFFAOYSA-N
rxn:5:177850:225407:223202,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,UYHBUIPODSUZQI-UHFFFAOYSA-N
rxn:5:177850:225407:223203,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,VFXGSFQYBZAYEF-UHFFFAOYSA-N
rxn:5:177850:225446:223010,CCOc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,OBYJNQLUNOHSDB-UHFFFAOYSA-N
rxn:5:177850:225617:223202,CCOc1ccc(-c2ccc(OC3CCCCO3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,XELZBFWMDUMZTN-UHFFFAOYSA-N
rxn:5:177850:225809:223202,CCOc1ccc(-c2cc(F)ccc2OC2CCOC2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,UKTBJYGLJWJZFT-UHFFFAOYSA-N
rxn:5:177850:225809:223203,CCOc1ccc(-c2cc(F)ccc2OC2CCOC2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,BOCUYBYGOVHYBM-UHFFFAOYSA-N
rxn:5:177850:226185:223010,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,RMDQWKFKTLCCAW-UHFFFAOYSA-N
rxn:5:177850:226187:223010,CCOc1ccc(-c2cccc(C3CCOCC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,CXAKKEPDDVADST-UHFFFAOYSA-N
rxn:5:177850:226197:223010,CCOc1ccc(-c2ccc(C3CCCOC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,SXOLXEOXPFNROR-UHFFFAOYSA-N
rxn:5:177850:226452:223010,CCOc1ccc(-c2ccc(C3OCCCO3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,SECFEZLTKKPYLB-UHFFFAOYSA-N
rxn:5:177850:226946:223010,CCOc1ccc(-c2ccc3c(c2)CCN(C)C3)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,AVKPACLGZQWWGT-UHFFFAOYSA-N
rxn:5:177850:226971:222991,CCOc1ccc(-c2ccc3c(c2)CCCOC3)c(C2OCCO2)c1-c1ccc(N2CCCC(O)C2)cc1,GMSRLEXQVOIIBT-UHFFFAOYSA-N
rxn:5:177850:226971:222995,CCOc1ccc(-c2ccc3c(c2)CCCOC3)c(C2OCCO2)c1-c1cccc(N2CCCC(O)C2)c1,OFWHOAHKLBYQJV-UHFFFAOYSA-N
rxn:5:177850:227125:223010,CCOc1ccc(-c2ccccc2C2CCOC2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,UJOAHJKHYOWPTE-UHFFFAOYSA-N
rxn:5:177850:227126:223010,CCOc1ccc(-c2ccc(C3CCOC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,YXIYAZUSYWLDAR-UHFFFAOYSA-N
rxn:5:177850:227131:223010,CCOc1ccc(-c2cccc(C3CCOC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,ASQJFKYJTXQIPW-UHFFFAOYSA-N
rxn:5:177850:227446:223010,CCOc1ccc(-c2ccc(C3OCCO3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,NEOSJLBBWGPCIE-UHFFFAOYSA-N
rxn:5:177850:227452:223010,CCOc1ccc(-c2cccc(C3OCCO3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,LVRNXZKYRCHCHZ-UHFFFAOYSA-N
rxn:5:177850:227587:226836,CCOc1ccc(-c2cc(F)c(OC)c(OC)c2)c(C2OCCO2)c1-c1cn(C(C)C)nc1C(F)(F)F,FVNGPXVOBNUXRC-UHFFFAOYSA-N
rxn:5:177851:222991:226971,CCOc1c(-c2ccc(N3CCCC(O)C3)cc2)cc(C2OCCO2)cc1-c1ccc2c(c1)CCCOC2,AUXUXBVOLJHYED-UHFFFAOYSA-N
rxn:5:177891:223294:226042,O=C(SC1CS(=O)(=O)CC1c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1-c1csc(N2CCNCC2)n1,BSOXOLJPEOEVHI-UHFFFAOYSA-N
rxn:5:177891:226900:226158,O=C(SC1CS(=O)(=O)CC1c1ccccc1N1CCCCC1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,JDHSSMJBOVTFMA-UHFFFAOYSA-N
rxn:5:177891:226901:228283,CC(=O)c1cc(F)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,HONQGGMPWLWQJP-UHFFFAOYSA-N
rxn:5:177891:227279:228653,CC(C)n1nc(C2CC2)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnn2c1CCCC2,APRDYETXGFYFJI-UHFFFAOYSA-N
rxn:5:177891:227838:226901,Cc1ccc(C2CC2)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1,AKSMBRNVZNGFBG-UHFFFAOYSA-N
rxn:5:177891:228279:226901,CCc1cc(F)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1,XUJRGZGFZBSWEM-UHFFFAOYSA-N
rxn:5:177891:228406:226901,COc1ccc(F)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1F,GEGDEOXJHULBDD-UHFFFAOYSA-N
rxn:5:178122:225407:227592,COc1cc(F)cc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2COC2CCCCO2)c1OC,ZEWZOZQOENBNQY-UHFFFAOYSA-N
rxn:5:178122:225452:227574,COc1c(F)ccc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2COC2CCCCO2)c1OC,FEXBOLSVNROUBC-UHFFFAOYSA-N
rxn:5:178226:225809:227561,COc1cc(F)c(-c2cccc(OCC3CCCCC3)c2-c2cc(F)ccc2OC2CCOC2)cc1OC,ZLIDJVCHCJYOPE-UHFFFAOYSA-N
rxn:5:178295:226064:227490,COC(=O)C1(c2cc(-c3cnc(OC(C)(C)C)nc3)ccc2-c2ccc(C3CCCCC3)cc2)CCC(=O)CC1,NANVMDXIWVJZPO-UHFFFAOYSA-N
rxn:5:178314:225447:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1O[Si](C)(C)C(C)(C)C,KWHVZEKLZXGUEF-UHFFFAOYSA-N
rxn:5:178314:225447:227690,COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1O[Si](C)(C)C(C)(C)C,BYUOWGNEGNNAKV-UHFFFAOYSA-N
rxn:5:178314:226067:226899,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],WNSUYBGYBSVHFH-UHFFFAOYSA-N
rxn:5:178314:226899:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1ccc(C2=CCCCC2)cc1,QEQOUOKBRPYTHE-UHFFFAOYSA-N
rxn:5:178466:223006:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,OXDDCEPAURWTHC-UHFFFAOYSA-N
rxn:5:178467:222998:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cc(F)cc(C4CCCNC4)c3)c2OC1,IJBKHIXAZNEUQS-UHFFFAOYSA-N
rxn:5:178467:223011:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,AKQYNGLXUWGJAU-UHFFFAOYSA-N
rxn:5:178467:225833:227968,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,YIDNVDJTPNFRFV-UHFFFAOYSA-N
rxn:5:178467:225833:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,MVOODAFCXQNKRZ-UHFFFAOYSA-N
rxn:5:178467:225849:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,KXUSLPPDASOMLL-UHFFFAOYSA-N
rxn:5:178467:225976:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,ADWXAVJONVEXIU-UHFFFAOYSA-N
rxn:5:178467:225976:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,YDRHQUPTESGHSQ-UHFFFAOYSA-N
rxn:5:178467:225980:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,GANKUYYLPFGXJO-UHFFFAOYSA-N
rxn:5:178467:226794:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,ZQJUUXYQXNEDCC-UHFFFAOYSA-N
rxn:5:178467:227766:228497,CCOC(=O)C1=Cc2cc(-c3ccnn3CC(F)(F)F)cc(-c3cc(C(F)(F)F)nn3CC)c2OC1,PPLOBAPGCOWXLD-UHFFFAOYSA-N
rxn:5:180022:222990:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(N3CCC(O)CC3)cc2)c1C1OCCO1,HJEVSDJHNMESNA-UHFFFAOYSA-N
rxn:5:180022:223010:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,XPMNJNCCMPNAGM-UHFFFAOYSA-N
rxn:5:180022:223010:225498,COc1c(-c2cc(C3CCCCC3)ccc2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,QRMNTDTYTQYJJQ-UHFFFAOYSA-N
rxn:5:180022:223010:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,CXPWXGUEONAFOJ-UHFFFAOYSA-N
rxn:5:180022:225452:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2ccc(OC3C=CCCC3)cc2)c1C1OCCO1,NLNLKZPSVBMTJM-UHFFFAOYSA-N
rxn:5:180022:226186:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccccc2C2CCOCC2)c1C1OCCO1,QCOVCDJGSFEXPA-UHFFFAOYSA-N
rxn:5:180092:225515:225811,CC1(C)COc2cccc(-c3cc(C#C[Si](C)(C)C)cc(-c4ccc(C5(C(F)(F)F)CC5)cc4)c3)c2OC1,YTPXIQCLBTYOKS-UHFFFAOYSA-N
rxn:5:180203:222989:223058,Cc1cc(N2CCNCC2)ccc1-c1cc(OC2CCOCC2)cc(-c2cc(F)nc(C3CCCNC3)c2)c1,FIEWPZMYXOBCHJ-UHFFFAOYSA-N
rxn:5:180421:225394:226778,COc1cc(-c2ccc(CC3CCCCC3)cc2-c2cc(C3CCC3)cc(C3CC3)c2)c(F)c(F)c1OC,GJJYYVPJBKOPQC-UHFFFAOYSA-N
rxn:5:180422:225394:226778,COc1cc(-c2cc(CC3CCCCC3)ccc2-c2cc(C3CCC3)cc(C3CC3)c2)c(F)c(F)c1OC,VJNMLLAKXVURBI-UHFFFAOYSA-N
rxn:5:180602:223062:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(C4CCNCC4)cc3F)c2O1,YUKPINQSYSPMST-UHFFFAOYSA-N
rxn:5:182950:226837:225943,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1ccc(C(=O)N3CCOCC3)s1)OCCC2=O,UDJLLXFTTRHUAZ-UHFFFAOYSA-N
rxn:5:183065:225832:225833,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(cc1-c1ccnc(N3CCCCC3)c1F)CCCC2=O,DWNFHSSTMUYMLV-UHFFFAOYSA-N
rxn:5:183217:226155:226027,CC(=O)c1cc(-c2cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc3c2OC(C)(C)CC3=O)cc(C2CC2)c1,RXPHLGIXSKRXSE-UHFFFAOYSA-N
rxn:5:183217:226341:225945,COc1cc(F)c(C(C)C)cc1-c1cc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc2c1OC(C)(C)CC2=O,GZQYDVYVDQGLBE-UHFFFAOYSA-N
rxn:5:183228:226836:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn(C(C)C)nc2C(F)(F)F)cc2c1OC(C)(C)CC2,BFWSAXQSBVBIBK-UHFFFAOYSA-N
rxn:5:188447:226067:226027,COC(=O)c1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc(-c2ccc(C3=CCCCC3)cc2)cc1[N+](=O)[O-],ZBNVNSHWPRZBAW-UHFFFAOYSA-N
rxn:5:188616:225823:226836,CCOc1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1[N+](=O)[O-],LJRFDWXUBQTLIG-UHFFFAOYSA-N
rxn:5:188867:222404:222405,CC(C)OC(=O)c1cc(-c2cccc(C3NC(=O)NC3=O)c2)ncc1-c1ccc(C2NC(=O)NC2=O)cc1,AMVVUHCSGYBQDR-UHFFFAOYSA-N
rxn:5:188931:223054:228698,CCC(=O)c1ccc(-c2c(C(=O)OC)cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2S(N)(=O)=O)s1,AMEDWPMAHWFYOQ-UHFFFAOYSA-N
rxn:5:188931:226743:226050,CCc1cc(-c2cc(C(=O)OC)c(-c3c(F)cc(OC(F)(F)F)cc3F)c(S(N)(=O)=O)c2)cc(C(F)(F)F)n1,CRNZYIMNHRIISP-UHFFFAOYSA-N
rxn:5:189207:223389:227740,Cc1cc(-c2ccc(-c3c(C)n[nH]c3C(F)(F)F)cc2C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)n1,RIODCPFRPFOCDZ-UHFFFAOYSA-N
rxn:5:189207:225451:229091,CC(=O)c1occc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,PGBZOLULWBUKAR-UHFFFAOYSA-N
rxn:5:189207:225584:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,KDTUNUHDINFVDN-SAPNQHFASA-N
rxn:5:189207:226035:228468,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cncc([N+](=O)[O-])c2C)c(C(=O)ON2C(=O)CCC2=O)c1,OHGMBXRMXSZVID-UHFFFAOYSA-N
rxn:5:189207:226177:227904,CCN(C)c1ccc(-c2ccc(-c3ccnc(C4CCCCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cc1,JHQBBSPLFJZKAS-UHFFFAOYSA-N
rxn:5:189207:226186:228484,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CCOCC2)ccc1-c1ccc([N+](=O)[O-])c(F)c1,BSYOOPRJPCTBAK-UHFFFAOYSA-N
rxn:5:189207:226452:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)ccc1-c1ccc(C(=O)N2CCC2)cc1,BPCGQFJTSIDHTF-UHFFFAOYSA-N
rxn:5:189207:226468:228077,CN1C(=O)COc2c(-c3ccc(-c4ccc5c(c4)C(=O)OC5)c(C(=O)ON4C(=O)CCC4=O)c3)cccc21,KJGDGUPMCSRSDA-UHFFFAOYSA-N
rxn:5:189207:226899:227125,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1ccccc1C1CCOC1,VDFSSAOGIRFUTQ-UHFFFAOYSA-N
rxn:5:189207:227039:227505,CC(C)(C)Oc1ccc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,UIVJTAKKVLFZFA-WUKNDPDISA-N
rxn:5:189207:227080:226411,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCCC3)c2)ccc1-c1ccc(N2CCOCC2)cc1,PZYPRLGRWWZASD-UHFFFAOYSA-N
rxn:5:189207:227764:227203,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(C(F)F)c(F)c2)ccc1-c1ccc2c(c1)OCCCO2,WLKPASMVYVAXSZ-UHFFFAOYSA-N
rxn:5:189207:228071:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cccc3c2OCCO3)cc1C(=O)ON1C(=O)CCC1=O,SSKUUFDHCQTFOX-UHFFFAOYSA-N
rxn:5:189207:228078:225407,O=C1OCc2cc(-c3ccc(-c4ccc(C5CCCCCC5)cc4)c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,QXNMDWDXNHMKBJ-UHFFFAOYSA-N
rxn:5:189207:228078:227804,O=C1OCc2cc(-c3ccc(-c4cc([N+](=O)[O-])sc4[N+](=O)[O-])c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,UOJFVXRFLJEBIT-UHFFFAOYSA-N
rxn:5:189207:228895:225453,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1-c1cccc(SC2CCCCC2)c1,XTTJSVKJWKREBB-UHFFFAOYSA-N
rxn:5:189207:229091:225451,CC(=O)c1occc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,OXZWGBUUBSVYNJ-UHFFFAOYSA-N
rxn:5:189208:223438:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cn[nH]c2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,UHZJACYQUKRFGC-UHFFFAOYSA-N
rxn:5:189208:225873:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1cccc(C(=O)N2CCCC2)c1,SZOJDOYFKXQYAB-UHFFFAOYSA-N
rxn:5:189208:225986:227125,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccccc1C1CCOC1,QXRRRYRMDVCJEN-UHFFFAOYSA-N
rxn:5:189208:226332:227095,O=C1CC(c2ccc(-c3cc(-c4ccccc4C(=O)N4CCC4)ccc3C(=O)ON3C(=O)CCC3=O)cc2)C1,PPNQWZPGJXPFSG-UHFFFAOYSA-N
rxn:5:189208:226333:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1-c1cccc(N2CCOCC2=O)c1,PUVOXSYZQBADOM-UHFFFAOYSA-N
rxn:5:189208:226966:226966,O=C1CCCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc5c(c4)C(=O)CCC5)c3)cc21,MJCAIRGAHKXLMN-UHFFFAOYSA-N
rxn:5:189208:226971:228345,COC(=O)c1sc(C)cc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1C(=O)ON1C(=O)CCC1=O,AOGWRQJZZMGNRQ-UHFFFAOYSA-N
rxn:5:189208:227505:227613,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1cnn(C2CCOCC2)c1,JSQZBQVBNWVUGU-FMIVXFBMSA-N
rxn:5:189208:227680:227331,CC(C)Oc1cccc(F)c1-c1cc(-c2cccc3c2OC(F)(F)O3)ccc1C(=O)ON1C(=O)CCC1=O,YIJJPAOGIPQGPC-UHFFFAOYSA-N
rxn:5:189208:227710:226186,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCOCC3)c2)cc1,LKGOEMCFXPWAEM-UHFFFAOYSA-N
rxn:5:189208:228066:225986,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1-c1ccccc1N1CCCS1(=O)=O,HJWGXJSSCBFDCB-UHFFFAOYSA-N
rxn:5:189208:228077:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2ccc3c(c2)C(=O)OC3)ccc1C(=O)ON1C(=O)CCC1=O,DGRFHFLXZYBVMZ-UHFFFAOYSA-N
rxn:5:189208:228629:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCC3)s2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,FKVGTHMGCSNBNL-UHFFFAOYSA-N
rxn:5:189209:225616:227829,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCCC2)cc(-c2ccccc2C2CCC2)c1,YFIWIAKVZJNPLN-UHFFFAOYSA-N
rxn:5:189209:225702:227119,COC(=O)n1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CCCCC4)cs3)c2)cc2ccccc21,QHWJXOACJNJNIY-UHFFFAOYSA-N
rxn:5:189209:226415:223358,CC(=O)Nc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccccc3N3CCOCC3)c2)cc1,JFPPWVOOADMVBW-UHFFFAOYSA-N
rxn:5:189209:226643:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2ccc(N3CCOCC3)nc2)c1,SVBZODLBZHHHSO-UHFFFAOYSA-N
rxn:5:189209:227187:227386,CN1Cc2c(cccc2-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCC4)c3)c2)C1=O,BQDPOHQAHLSIHY-UHFFFAOYSA-N
rxn:5:189209:228071:226332,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCC2)cc(-c2cccc3c2OCCO3)c1,ZUXWYAAMGKDJGT-UHFFFAOYSA-N
rxn:5:189209:228601:225943,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(=O)N3CCOCC3)s2)c1,KTGJBGVJCFJGAA-UHFFFAOYSA-N
rxn:5:189210:225407:228866,COCc1noc(C)c1-c1cccc(-c2ccc(C3CCCCCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,QDPMDCTZAZVMSE-UHFFFAOYSA-N
rxn:5:189210:225871:227868,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccc2c(c1)OCCC2,SRRRTUAYBJWOMX-UHFFFAOYSA-N
rxn:5:189210:226783:227680,COc1cc(F)c(F)c(OC)c1-c1cccc(-c2cccc3c2OC(F)(F)O3)c1C(=O)ON1C(=O)CCC1=O,GLVCZMSGBRXBTJ-UHFFFAOYSA-N
rxn:5:189210:227119:227197,CN1Cc2ccc(-c3cccc(-c4cc(C5CCCCC5)cs4)c3C(=O)ON3C(=O)CCC3=O)cc2C1=O,LWXSBIPCFJYBQW-UHFFFAOYSA-N
rxn:5:189210:228079:227404,O=C1OCc2c1cccc2-c1cccc(-c2cc(N3CCCCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,ANYPNEAVERWHFI-UHFFFAOYSA-N
rxn:5:189210:228866:227656,COCc1noc(C)c1-c1cccc(-c2cc(N3CCOCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,PDFMZJZTUXRHQF-UHFFFAOYSA-N
rxn:5:189210:228964:223064,COC(=O)c1ncc(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2C(=O)ON2C(=O)CCC2=O)s1,NKFWDRGEPLPWLL-UHFFFAOYSA-N
rxn:5:189211:226084:228245,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)C(=O)CCCC3)cc1F,IZAAKODNVQVQHW-UHFFFAOYSA-N
rxn:5:189211:226155:226980,CC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccc3c2C(=O)CCC3)cc(C2CC2)c1,ASCVZLABEZZAEE-UHFFFAOYSA-N
rxn:5:189211:226413:228487,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3)c2)c1-c1cccc(F)c1[N+](=O)[O-],AMSQFRIZZDJHLW-UHFFFAOYSA-N
rxn:5:189211:226415:227918,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1ccc(SC2CC2)cc1,GJZVBPAQHIDOOE-UHFFFAOYSA-N
rxn:5:189211:226762:228878,CSc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cnn(C3COC3)c2)cc(C(F)(F)F)c1,CMQPJAZCKHGSJF-UHFFFAOYSA-N
rxn:5:189211:227385:225868,Cc1nc(C(C)(C)C)ncc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(N2CCOCC2)c(F)c1,LCAWCVABTWKOPM-UHFFFAOYSA-N
rxn:5:189211:228066:226053,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OCCO3)c1-c1ccc(F)c(OC(F)(F)F)c1F,QPSMNZFXHBMMIC-UHFFFAOYSA-N
rxn:5:189211:228894:225926,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC2)cc1,REBSBHMWFLJTMR-UHFFFAOYSA-N
rxn:5:189212:223353:226411,CC(=O)Nc1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)c1,KDHUKUIMPCWPLC-UHFFFAOYSA-N
rxn:5:189212:225946:228071,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2OCCO3)cc(C(F)(F)F)c1,XTWJWENXRSEMCV-UHFFFAOYSA-N
rxn:5:189212:226187:226319,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)c(-c2cccc(C3CCOCC3)c2)c1,RZHLWWOFWIDRNC-UHFFFAOYSA-N
rxn:5:189212:226452:228320,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3OCCCO3)cc2)ccn1,UQGSNWIFEUJXBV-UHFFFAOYSA-N
rxn:5:189212:226880:227206,Cc1c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)c(F)c(C(F)(F)F)c2)ccc2c1COC2=O,HZWWCJRCNCZPRY-UHFFFAOYSA-N
rxn:5:189212:226969:227680,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)c(-c2ccc3c(c2)CCCC3=O)c1,KIWKOZYNDCQSML-UHFFFAOYSA-N
rxn:5:189212:227119:227183,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(C4CCCCC4)cs3)ccc2C1=O,CIHMYABCDMBZBV-UHFFFAOYSA-N
rxn:5:189212:227452:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)c(-c2cccc(C3OCCO3)c2)c1,WZXOIKMLZBCZTB-UHFFFAOYSA-N
rxn:5:189212:228016:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cc(C3CCCC3)cs2)c1,ZWPAKHOUGZLNNB-UHFFFAOYSA-N
rxn:5:189212:228077:225870,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)cc(N3CCOCC3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,UWRVNFPDPHHFEK-UHFFFAOYSA-N
rxn:5:189212:228151:226186,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2C2CCOCC2)c1,HSEPXJCBBMWJCD-UHFFFAOYSA-N
rxn:5:189212:228504:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc3c2CCC3)c1,IMCWPRFPHZHNEL-UHFFFAOYSA-N
rxn:5:189212:229091:225943,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C(=O)N2CCOCC2)s1,VAWGDPFQHSOSAU-UHFFFAOYSA-N
rxn:5:189319:226837:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c(C(=O)OC(C)(C)C)n1,GIBHXESDCXHUED-UHFFFAOYSA-N
rxn:5:189540:223010:225515,COC1CN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cccc3c2OCC(C)(C)CO3)C1,ULMRJWZDRYVLFM-UHFFFAOYSA-N
rxn:5:189665:227390:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2ccnn2C2CCCCC2)cnc1OCC1CCOCC1,LWMYNEPOZNXYDZ-UHFFFAOYSA-N
rxn:5:189665:228502:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2nn(C)cc2C(F)(F)F)cnc1OCC1CCOCC1,IACBHGBJZUXDKG-UHFFFAOYSA-N
rxn:5:189666:228501:226054,Cn1ncc(-c2cc(/C=N/[S@](=O)C(C)(C)C)ccc2-c2cnc(C(F)(F)C(F)(F)F)nc2)c1C(F)(F)F,OBLRHRUTCDCFRL-HASCYTAZSA-N
rxn:5:189718:225870:228706,CN(C)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(F)cc(N3CCOCC3)c2)ccn1,BPGYMHBZVYDMAQ-UHFFFAOYSA-N
rxn:5:189718:227297:227187,CN(C)Cc1ccc(F)c(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cccc3c2CN(C)C3=O)c1,LEHXWESQADPKRD-UHFFFAOYSA-N
rxn:5:189826:227661:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(F)(F)F)cc3C)c2)c(F)c(C(F)(F)F)c1,WAYVNOBYAJUSDT-UHFFFAOYSA-N
rxn:5:189829:222409:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c1OC,DINOZRDRDRJBHS-UHFFFAOYSA-N
rxn:5:189829:222409:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c1OC,YHKRSCLPHDRVGH-UHFFFAOYSA-N
rxn:5:189829:222409:227691,COc1cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC)ccc1[N+](=O)[O-],QGVGYQABFRONDH-UHFFFAOYSA-N
rxn:5:189910:223260:225684,CNC(=O)c1cc(F)cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)c(CCN3CCOCC3)c2)c1,TZVITHBNSKVHTM-UHFFFAOYSA-N
rxn:5:189910:225621:227328,Cc1cc(-c2ccc(-c3cc(F)cc(OC(C)C)c3)c(CCN3CCOCC3)c2)ccc1OC1CCOC1,KOKJTRVDJMJLNC-UHFFFAOYSA-N
rxn:5:189952:223006:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,ACBIPHMVXWVIAP-UHFFFAOYSA-N
rxn:5:189952:225803:227316,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(OC2CCOCC2)c1,BNRWBVOXUBKUJF-UHFFFAOYSA-N
rxn:5:190132:226149:223388,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(S(=O)(=O)O)cc3)c2)cc1C(C)(C)C,KNWBVCXLTHORFC-UHFFFAOYSA-N
rxn:5:190177:225462:226901,CC1CCN(c2cccc(-c3ccc(N4C(=O)CC(Sc5ccc(-c6cccc(S(F)(F)(F)(F)F)c6)cc5)C4=O)cc3)c2)CC1,USRNXVSMSIIYPN-UHFFFAOYSA-N
rxn:5:190194:226040:228155,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC,QNUOOXYACBBYJF-UHFFFAOYSA-N
rxn:5:190195:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,YBVJIPFJBJMGRH-UHFFFAOYSA-N
rxn:5:190195:226664:223064,CN(Cc1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1)C1CCOCC1,IQFHVIHXOOXISV-UHFFFAOYSA-N
rxn:5:190195:228653:225849,CN(Cc1ccc(-c2cnn3c2CCCC3)c(-c2cnc(N3CCCCC3)cc2F)c1)C1CCOCC1,GERWTDBBSAHQAM-UHFFFAOYSA-N
rxn:5:190196:223061:223113,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LHNBRYINBJYWHF-UHFFFAOYSA-N
rxn:5:190199:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1CN(C)C1CCOCC1,VBFCULDDHQDVFA-UHFFFAOYSA-N
rxn:5:190199:226149:226058,COc1ccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)cc2CN(C)C2CCOCC2)cc1C(C)(C)C,RWCQCXCFXABOBJ-UHFFFAOYSA-N
rxn:5:190199:227106:225436,Cc1cc(F)c(-c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2CN(C)C2CCOCC2)cc1C1CC1,ZYNWEFQGYHRKOE-UHFFFAOYSA-N
rxn:5:190201:222417:223065,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(N3CCNCC3)cc2F)CCO1,GIFKDMHNYPPGGV-UHFFFAOYSA-N
rxn:5:190201:225591:227077,CCC(C)c1ccc(-c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2CCN2CCOC(C)C2)c(F)c1,LHYAOVBXNDCPCV-UHFFFAOYSA-N
rxn:5:190201:225657:227808,Cc1cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(CCN3CCOC(C)C3)c2)ccc1N1CCOCC1,BDIXEJZJLNDZSL-UHFFFAOYSA-N
rxn:5:190231:226794:226664,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,PNRPEUALXBDXQP-UHFFFAOYSA-N
rxn:5:190231:228824:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCOC(C)C2)cc1-c1c(F)cc(C)cc1F,VBFMDBVNNWUXSJ-UHFFFAOYSA-N
rxn:5:190265:225446:227543,COC(=O)c1cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2cc(C)cc(OC3CCCC3)c2)ccc1F,AEXSLELFRHMCPD-UHFFFAOYSA-N
rxn:5:190265:227095:227408,CC1CCCN(C(=O)Cc2ccc(-c3cc(C4CCC4)ncc3F)c(-c3ccc(C4CC(=O)C4)cc3)c2)C1,UNDDBDSSMXMEIJ-UHFFFAOYSA-N
rxn:5:190299:226899:223359,CNCc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])ccc4OC)C3=O)cc2)cc1F,NTWSFKDJKGGFEN-UHFFFAOYSA-N
rxn:5:190299:226899:223360,CNCc1cccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])ccc4OC)C3=O)cc2)c1F,RKIHCGISPOLOCX-UHFFFAOYSA-N
rxn:5:190307:226777:223288,CNS(=O)(=O)c1cccc(-c2ccc(-c3cc(C)c(F)c(OC(F)F)c3)cc2CCN2CCC(C)CC2)c1,NCWAVJMTAAFPPE-UHFFFAOYSA-N
rxn:5:190308:228677:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnn(CC(C)C)c2)cc1CCN1CCCC(C)C1,XNBKXAQAMRMITR-UHFFFAOYSA-N
rxn:5:190335:225818:229232,CCc1ncsc1-c1cc(C(=O)N2CCCCC2C)cc(-c2ccc(C(F)(F)F)cc2C2CC2)c1OC,QYQVBZHMDZNKIP-UHFFFAOYSA-N
rxn:5:190335:228435:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(SC)ccc(F)c1F,NNUYRJMQEONXAQ-UHFFFAOYSA-N
rxn:5:190335:229118:225441,COc1c(-c2cc(C)nc(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)cnc1C(C)(C)C,LXRFMJSLDNRMRR-UHFFFAOYSA-N
rxn:5:190336:228327:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cnc(OC)c(OC)c2)c1OC,SBHCIBYCGUGQMB-UHFFFAOYSA-N
rxn:5:190418:226468:226918,Cc1cc(-c2ccc(C3=CCCC3)cc2)ccc1N1C(=O)CC(Cc2ccc(-c3cccc4c3OCC(=O)N4C)cc2)C1=O,VOPQKEBESWSRII-UHFFFAOYSA-N
rxn:5:190459:227913:226426,CC1CCN(c2ccc(-c3ccccc3C3CCN(C(=O)c4ccccc4-c4ccc(OC(C)C)cc4)CCS3)s2)CC1,MRVFXJNGOCEULS-UHFFFAOYSA-N
rxn:5:190484:226900:228508,CC(C)c1cccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(S(F)(F)(F)(F)F)cc4)c3)CCS2(=O)=O)c1,INSHJOLMPUSTJX-UHFFFAOYSA-N
rxn:5:190484:227672:227203,Cc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)OCCCO5)S(=O)(=O)CC3)c2)c1C(F)(F)F,GWBAXUAMRCEEFC-UHFFFAOYSA-N
rxn:5:190740:223061:225454,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,JJJYEJVQPLZOOL-UHFFFAOYSA-N
rxn:5:190740:225633:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCCCC4)nc3)cc2c1-c1cc(N2CCCCC2)ncc1F,JOVBUPNAFZQNHE-UHFFFAOYSA-N
rxn:5:190740:225655:223061,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1cc(C2CCNCC2)ncc1F,NRHRCWQHLXXMAD-UHFFFAOYSA-N
rxn:5:190741:223064:225849,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ABPYUHFUUROCMX-UHFFFAOYSA-N
rxn:5:190741:225849:225784,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,DFAAVTXLYPPCEH-UHFFFAOYSA-N
rxn:5:190742:223056:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(C2CCNCC2)nc1F,IQVBKFAKRRDXPT-UHFFFAOYSA-N
rxn:5:190742:223061:226583,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(CN2CCOCC2)s1,AYGQSGVOPFPOQH-UHFFFAOYSA-N
rxn:5:190742:223062:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,NIIQQHZFUSDDOY-UHFFFAOYSA-N
rxn:5:190742:223064:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cc(N2CCCCC2)ncc1F,AMEXTUPYCCQGRT-UHFFFAOYSA-N
rxn:5:190742:225655:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cnc(N2CCOCC2)cc1F,WTEHHTZUORAASG-UHFFFAOYSA-N
rxn:5:190742:225784:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCNCC2)cc1F,IKPHMBKNTWSMAE-UHFFFAOYSA-N
rxn:5:190743:223062:225655,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,SHCRTXAPCAZZHS-UHFFFAOYSA-N
rxn:5:190744:223061:225454,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,JTHUCBXVVVMFKQ-UHFFFAOYSA-N
rxn:5:190744:225834:223056,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MBNDORIOCKRFED-UHFFFAOYSA-N
rxn:5:190832:225849:225834,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,NVTCTTAQGRLPJY-UHFFFAOYSA-N
rxn:5:190832:226837:227767,CCOC(=O)c1cnc2cc(C)c(-c3c(C)nn(CC(F)(F)F)c3C)c(C)c2c1-c1cn(CC)nc1C(F)(F)F,XRRWTELGHPFBON-UHFFFAOYSA-N
rxn:5:190833:227799:223438,CC(C)(C)OC(=O)N1Cc2c(-c3cn[nH]c3C(F)(F)F)ccc(-c3cnc(C(F)(F)F)c(F)c3)c2C1=O,PXMMWTMTRQWECJ-UHFFFAOYSA-N
rxn:5:191049:225976:226395,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cncc(N2CCCCC2)c1,YERRYMDMXONPJB-UHFFFAOYSA-N
rxn:5:191049:226341:226744,CCc1cc(-c2cc(OC)c(N3Cc4cc(-c5cc(C(C)C)c(F)cc5OC)ccc4OCC3=O)cc2OC)cnc1C(F)(F)F,UYSWRHJYVXNZIG-UHFFFAOYSA-N
rxn:5:192234:226836:226837,COc1c(-c2c(C)nn(CC(F)(F)F)c2C)cc(-c2cn(C(C)C)nc2C(F)(F)F)cc1S(N)(=O)=O,RITRYRQFDNTTPI-UHFFFAOYSA-N
rxn:5:193046:225982:226767,COc1ccc(C(F)(F)F)c(-c2c(-c3cnc(N4CCOCC4)cc3F)cc(C(C)(C)C)cc2[N+](=O)[O-])c1,POZASTIHHMIYCG-UHFFFAOYSA-N
rxn:5:193051:226665:225515,CC1(C)COc2cccc(-c3cc(-c4cnc(C5CCCOC5)nc4)ccc3CN3CCCC3=O)c2OC1,ZZKDINXECKENOS-UHFFFAOYSA-N
rxn:5:193151:226040:226027,Cc1c(-c2c(CN3CCCC3)cccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],MMHBFUKHDKNGCI-UHFFFAOYSA-N
rxn:5:193226:225980:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3cc(N4CCOCC4)ncc3F)c2)CC1,DAMMWQRGBJJMES-UHFFFAOYSA-N
rxn:5:193226:226794:225849,O=C(c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1)N1CCOCC1,QMZPVQCQQIRGQR-UHFFFAOYSA-N
rxn:5:193226:227376:225834,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2cc(N3CCCCC3)ncc2F)c1)N1CCOCC1,QLFSEWZFFNFHGL-UHFFFAOYSA-N
rxn:5:193229:226319:226738,CC(=O)c1ccc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(C(=O)N3CCC3)cc2)c([N+](=O)[O-])c1,CMMAWHLTBBINSG-UHFFFAOYSA-N
rxn:5:193229:227501:225871,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1cccc(N2C(=O)C=CC2=O)c1)N1CCOCC1,FJMNZOHMXYLZQW-UHFFFAOYSA-N
rxn:5:193230:223062:227316,CC(C)Cc1cc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2C(=O)N2CCOCC2)cc(F)n1,IEZJHRMQZSBVKE-UHFFFAOYSA-N
rxn:5:193230:225833:225834,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,BRLRBJOYIAEQQL-UHFFFAOYSA-N
rxn:5:193230:225985:226899,O=C(c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1,HHNGHJWIVQKUJB-UHFFFAOYSA-N
rxn:5:193332:223010:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3ccc(C4(O)CCOCC4)cc3)c1)OCCO2,OTCMAZYRPXOFKF-UHFFFAOYSA-N
rxn:5:193338:222988:226085,Cc1cc(-c2cc(CN3CCOCC3)cc(-c3ccc4c(c3)CCC(C)(C)O4)c2)cc(C2CCNCC2)n1,PEDBPOHWNKOWGA-UHFFFAOYSA-N
rxn:5:193382:222994:228974,CS(=O)(=O)n1cc(-c2cc(-c3cccc(N4CCC(O)CC4)c3)ccc2S(=O)(=O)N2CCOCC2)cn1,CGAPXAIUZYGTDZ-UHFFFAOYSA-N
rxn:5:193382:225452:227349,COc1cc(C)cc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1OC,HXUPZKWHITXNHH-UHFFFAOYSA-N
rxn:5:193382:225985:227505,O=[N+]([O-])/C=C/c1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2S(=O)(=O)N2CCOCC2)cc1,JPILMDHVOQGZIA-ACCUITESSA-N
rxn:5:193382:226765:222959,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(C)c3)c2)c(F)c1F,ADEOYMKWSDYFTP-UHFFFAOYSA-N
rxn:5:193382:227387:225833,O=S(=O)(c1ccc(-c2ccnc(N3CCCC3)c2)cc1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,KTYQHGWKYLMZHM-UHFFFAOYSA-N
rxn:5:193460:223008:226845,COc1ncc(C(F)(F)F)cc1-c1c(C(=O)N2CCCCC2)cccc1-c1cc(C2CCNCC2)ccc1F,OFKVZFIZIFYNOX-UHFFFAOYSA-N
rxn:5:193462:226747:226159,CCc1ncc(-c2ccc(-c3cccc(N4CCCCC4)c3)c(CN3CCC(=O)CC3)c2)cc1C(F)(F)F,PKXGIYYWDVBKAY-UHFFFAOYSA-N
rxn:5:193462:226901:223143,O=C1CCN(Cc2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2cccc(N3CCC(O)C3)c2)CC1,ZDIZNWPEHYSZJM-UHFFFAOYSA-N
rxn:5:193465:222993:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1cccc(N2CCCCC2O)c1,UPGGICQGNWNPTB-SVQMELKDSA-N
rxn:5:193465:225454:226059,CC(C)c1ccc(-c2cccc(C(=O)N3CCC[C@@H]3C)c2-c2ccc(C3=CCN(C)CC3)cc2)c(C(C)C)c1,OLLJFAWMEIQHKU-SANMLTNESA-N
rxn:5:193465:225986:227680,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2OC(F)(F)O3)c1-c1ccccc1N1CCCS1(=O)=O,XNEUSEGTWCQEHC-SFHVURJKSA-N
rxn:5:193465:226050:227505,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1-c1c(F)cc(OC(F)(F)F)cc1F,RMGMXRQHWUDYHJ-BYIUCRAPSA-N
rxn:5:193465:226469:226045,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1-c1ccc2c(c1)N(C)C(=O)CO2,GMCKHTIIZGUJNM-INIZCTEOSA-N
rxn:5:193465:227552:225804,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCC3)c(F)c2)c1-c1ccccc1CC(F)(F)F,QDHYGKWJZGFCGC-IBGZPJMESA-N
rxn:5:193465:227748:225583,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1-c1ccc(F)c(C(F)(F)F)c1,AUIPQYRUQAMECO-IBGZPJMESA-N
rxn:5:193466:225583:225871,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(C(=O)N2CCCC2)c1,FSFQTFAWSCIQBN-JOCHJYFZSA-N
rxn:5:193467:225815:227066,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C(=O)C3CC3)c2)ccc1-c1ccc(C2CC2)cc1C(F)(F)F,XCWXSXRWHORMLN-IBGZPJMESA-N
rxn:5:193467:226028:223216,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1-c1ccc(C(F)(F)F)c(C#N)c1F,KSLVEOYCDTYQRH-INIZCTEOSA-N
rxn:5:193467:226886:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1,MFIBRKWXUGMNQY-KRWDZBQOSA-N
rxn:5:193467:227505:226054,C[C@H]1CCCN1C(=O)c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc1-c1ccc(/C=C/[N+](=O)[O-])cc1,GYMGLMLQXCLAJQ-TYZQSYOASA-N
rxn:5:193467:227761:225449,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(OC3CCCCC3)c2)ccc1-c1ccc(F)cc1C(F)(F)F,GASMAVGOGFJHCM-FQEVSTJZSA-N
rxn:5:193468:222993:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1cccc(N2CCCCC2O)c1,CWKSNMMIQADKLC-SVQMELKDSA-N
rxn:5:193468:225583:226899,C[C@H]1CCCN1C(=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],IZSIFRXUPUTYLE-IBGZPJMESA-N
rxn:5:193468:225926:226774,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC(F)=C(F)F)cc2)cccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,NVXAEZBETHEOFL-IBGZPJMESA-N
rxn:5:193468:226469:226886,C[C@H]1CCCN1C(=O)c1c(-c2cc(F)c(C(F)(F)F)c(F)c2)cccc1-c1ccc2c(c1)N(C)C(=O)CO2,JBUMLLFKNDRKGR-HNNXBMFYSA-N
rxn:5:193469:226332:226736,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1-c1ccc(C(F)(F)F)cc1C#N,VKIQSGZQDVSQKC-LJQANCHMSA-N
rxn:5:193506:225794:229056,CC(C)n1nccc1-c1cc(-c2cnc(OC3CCCCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,KZHZXTDLYLYYMZ-UHFFFAOYSA-N
rxn:5:193506:225926:227914,CC(C)Oc1ccccc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,OJRLEOQJUTUFOQ-UHFFFAOYSA-N
rxn:5:193506:225986:228894,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2-c2ccccc2[N+](=O)[O-])CC1,MMUUESPKHDEEMC-UHFFFAOYSA-N
rxn:5:193506:226737:228653,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn4c3CCCC4)c2)ccc1C(F)(F)F,XTAPQBXPPJQWDJ-UHFFFAOYSA-N
rxn:5:193506:227610:228720,Cc1cnn(C(C)C)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,DEJZXIYMZSAFGF-UHFFFAOYSA-N
rxn:5:193506:228349:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2cnn(C3CCOC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,FNWKRNIRVFOTIE-UHFFFAOYSA-N
rxn:5:193506:229061:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn(C(C)C)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,HOARNOYTTWBPLS-UHFFFAOYSA-N
rxn:5:193537:226040:226027,Cc1c(-c2c(CN3CCCCC3)cccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],JCHISBAZBOEOBN-UHFFFAOYSA-N
rxn:5:193540:225930:226899,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(CN3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1,PUMJGKBLCAZOHP-UHFFFAOYSA-N
rxn:5:193540:226464:223010,COc1ccc2c(c1-c1ccc(CN3CCCCC3)c(-c3ccc(C4(O)CCOCC4)cc3)c1)OCCO2,XLEXHCVXDUGGGJ-UHFFFAOYSA-N
rxn:5:193598:227611:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccnn2C2CCCCO2)cc1C(=O)N1CCOC(C)C1,CDEDTNOWHWNWTA-UHFFFAOYSA-N
rxn:5:193681:226654:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(-c2csc(N3CCC(C)CC3)n2)cc1OC1CCN(C)CC1,VOJBLNRYNBXTRD-UHFFFAOYSA-N
rxn:5:193752:225814:227912,COC(C)c1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2cccc(C3(C(F)(F)F)CC3)c2)cc1,YAAANESBPHCCRX-UHFFFAOYSA-N
rxn:5:193754:226845:225872,COc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCC(C)CC2)c1-c1cc(F)c(F)c(N2CCCC2)c1,KLKSDRMFXNZUGE-UHFFFAOYSA-N
rxn:5:193755:226901:226966,CC1CCCN(C(=O)c2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2ccc3c(c2)C(=O)CCC3)C1,AUHJEHYCDGGSEM-UHFFFAOYSA-N
rxn:5:193756:226827:227682,Cc1c(C(F)(F)F)ccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cc(C#N)cc([N+](=O)[O-])c3)c2)c1F,VASSOROPVSSDLQ-UHFFFAOYSA-N
rxn:5:193808:223064:225677,CC1CCN(Cc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(C3CCCCC3)nc2F)CC1,PVSZMTFQXQZRKC-UHFFFAOYSA-N
rxn:5:193867:226579:226600,CCOc1c(F)c(C)cc(-c2cc(-c3cc(F)cc(C(=O)N(C)C)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,XDHKBIPHBOAEMD-UHFFFAOYSA-N
rxn:5:193868:226867:228324,COc1cc(-c2ccc(-c3c(F)cccc3OC(F)(F)F)cc2C(=O)N2CC(C)OC(C)C2)c(OC)cn1,DCBGPTWDEYVTBM-UHFFFAOYSA-N
rxn:5:193869:226064:228348,Cc1cc(-c2ccc(C3CCCCC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N(C)C)nc1F,KYAQHBYOPJSMAT-UHFFFAOYSA-N
rxn:5:193869:227682:226919,Cc1cc(-c2cc(C#N)cc([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1cccc(C2CCCC2)c1,SVSRSOACLRKMAU-UHFFFAOYSA-N
rxn:5:193870:223389:226884,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(F)cc(C(F)(F)F)cc2F)cc1-c1c(C)n[nH]c1C(F)(F)F,MSXMHAGJJBMDJF-UHFFFAOYSA-N
rxn:5:193932:226366:227302,Cc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2ccnc(N3CCCCC3)c2)cnc1OC(C)C,HEMWWSKKKPKFIU-UHFFFAOYSA-N
rxn:5:193932:226900:228417,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(F)c(C(F)F)c3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,DXHQFJRQQIODLT-UHFFFAOYSA-N
rxn:5:193967:227295:225585,c1ccc(-c2cc(-c3ccnc(OC4CCC4)c3)ccc2CN2CCC3(CC2)OCCO3)c(CN2CCOCC2)c1,VHDNUXWKJFTKTH-UHFFFAOYSA-N
rxn:5:193967:228682:226382,CCCc1ncncc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cnc(C3CCCCC3)nc2)c1,RPRQGSPLQMCTPM-UHFFFAOYSA-N
rxn:5:193968:223010:223445,COc1cc[nH+]cc1-c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1CN1CCC2(CC1)OCCO2,PHOFXWCNMBOBJA-UHFFFAOYSA-O
rxn:5:193968:223389:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2c(C)n[nH]c2C(F)(F)F)c(CN2CCC3(CC2)OCCO3)c1,JGLVMVGLBBYROS-UHFFFAOYSA-N
rxn:5:193972:227682:227825,Cc1cc(-c2cc(C#N)cc([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C2CCC2)c1,SEMJIOWBBVOWJK-UHFFFAOYSA-N
rxn:5:194397:226321:226734,CN(C)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3ccc(SC4CCCC4)nc3)c2)c1,ODCFITXWOGTNSE-UHFFFAOYSA-N
rxn:5:194561:228494:226901,O=C(c1cc(-c2c(F)c(F)cc(F)c2F)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1COC2,VVYLSMWYSXVEFC-UHFFFAOYSA-N
rxn:5:194688:223056:225849,COc1cc(-c2cnc(N3CCCCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(N4CCC(O)CC4)nc3)cc1)C2,VIXOZWHUCSQPED-UHFFFAOYSA-N
rxn:5:194733:226164:223012,COC(=O)c1cc2cc(-c3ccc(-c4ccc(N5CCCCC5)cc4)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)ccc2[nH]1,VDAIKPRSDQYYTC-UHFFFAOYSA-N
rxn:5:194733:226901:228781,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(C(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,OBPHKRDXFNMKHM-UHFFFAOYSA-N
rxn:5:194733:226901:229140,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cccc(F)c1F)N1C2CCC1CC(=C1CC1)C2,UCZZKXPYJBFQPV-UHFFFAOYSA-N
rxn:5:194733:227590:226900,O=C(c1cc(-c2ccc(CC(F)(F)F)cc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,SOINAMVLICMJPT-UHFFFAOYSA-N
rxn:5:194733:227659:229228,Cc1c(-c2ccc(-c3ccsc3C#N)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cccc1C(F)(F)F,FGUIZFZZZGUQLQ-UHFFFAOYSA-N
rxn:5:194733:228020:226759,COc1cc(-c2ccc(-c3c(F)cccc3C3CC3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(C(F)(F)F)c1,XGTPZFJUKDOSMY-UHFFFAOYSA-N
rxn:5:194733:229203:226901,CCc1ccsc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,AYEIOAJHZHJCMK-UHFFFAOYSA-N
rxn:5:194767:225982:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,GCUYMSZWWWMSAM-UHFFFAOYSA-N
rxn:5:194767:226042:228220,CC(C)c1cc(-c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(F)cn1,VLLAGBIBZTVCBQ-UHFFFAOYSA-N
rxn:5:194782:226049:227540,COc1c(F)cc(SC)cc1-c1ccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,VYEUFOOYKAQWET-UHFFFAOYSA-N
rxn:5:194782:227199:226325,CN1C(=O)Cc2ccc(-c3ccc(-c4ccc(C(C)(C)C#N)cc4F)c(C(=O)N4CCC5(CC4)CC(=O)c4ccccc4O5)c3)cc21,NQHYQJRSHFMJEQ-UHFFFAOYSA-N
rxn:5:194782:228101:225394,N#Cc1cc(C#N)cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,NIOVILLYDTVNTC-UHFFFAOYSA-N
rxn:5:194791:223345:226164,O=C1Cc2cccc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(N7CCCCC7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)c2N1,PUUQBCCQADTXPJ-UHFFFAOYSA-N
rxn:5:194791:226318:227536,CCOc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(C6CC6)nc(N(C)C)c5)C(=O)C34)cc2)c(F)cc1F,JNJZNDKQAQAOGP-UHFFFAOYSA-N
rxn:5:194791:227717:228016,O=C1C2C(c3ccc(-c4cc(C5CCCC5)cs4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(F)cc1OC(F)F,KVSHVHDDWRVYCB-UHFFFAOYSA-N
rxn:5:196408:223064:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2F)c1,FJVXJRAAYRBGPC-UHFFFAOYSA-N
rxn:5:196408:225638:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCC(C)CC3)nc2)c1,KEUGXENFSHJHLR-UHFFFAOYSA-N
rxn:5:196408:225976:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccnc(N4CCOCC4)c3F)c2)c1,OUHCDTREVQYTSM-UHFFFAOYSA-N
rxn:5:196408:225978:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccc(N4CCOCC4)nc3F)c2)c1,YCKXGAWCCXPPOE-UHFFFAOYSA-N
rxn:5:196533:222992:226900,O=C1CC(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)N1c1ccc(-c2ccc(N3CCCCC3O)cc2)cc1,GYJQVVZXLOLNOM-UHFFFAOYSA-N
rxn:5:196533:226900:225819,O=C1CC(c2cc(C(F)(F)F)ccc2C2CC2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,KDIBJMZSWACYBU-UHFFFAOYSA-N
rxn:5:196789:223006:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(F)c(C5CCNCC5)c4)ccc3N3CCOCC3=O)c2)CC1,RIXKXJPQANUBNM-UHFFFAOYSA-N
rxn:5:196789:223061:226644,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cncc(N2CCOCC2)c1,NUAPOUKQXCSPJM-UHFFFAOYSA-N
rxn:5:196791:225590:225655,CC1CCN(c2cncc(-c3c(-c4ccc(CN5CCCC5)c(F)c4)cccc3N3CCOCC3=O)c2)CC1,KWDYCAIAHXFWDS-UHFFFAOYSA-N
rxn:5:196791:225978:225655,CC1CCN(c2cncc(-c3c(-c4ccc(N5CCOCC5)nc4F)cccc3N3CCOCC3=O)c2)CC1,XMENXHKLKWWOMQ-UHFFFAOYSA-N
rxn:5:196794:225834:223061,O=C1COCCN1c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cc(C2CCNCC2)ncc1F,JAFYEQKJHUDZDL-UHFFFAOYSA-N
rxn:5:196794:225881:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,YROAINZCFCGZAB-UHFFFAOYSA-N
rxn:5:196873:225834:225849,Fc1cc(N2CCCCC2)ncc1-c1cc(N2CCOCC2)ccc1-c1cc(N2CCCCC2)ncc1F,ITHCZKNDNZLXFA-UHFFFAOYSA-N
rxn:5:196873:225976:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1ccnc(N2CCOCC2)c1F,JVSWWBGNHMOUQJ-UHFFFAOYSA-N
rxn:5:196916:225931:226464,COc1ccc2c(c1-c1ccc(N3CCCCC3=O)c(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)c1)OCCO2,NBAHRJIJCCBVEL-UHFFFAOYSA-N
rxn:5:196916:225986:226901,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccccc1N1CCCS1(=O)=O,SXVWZSYTTXGCHN-UHFFFAOYSA-N
rxn:5:196918:226464:225931,COc1ccc2c(c1-c1cccc(N3CCCCC3=O)c1-c1cc(C)cc(S(=O)(=O)N(C)C)c1)OCCO2,WQJMEBGVLXGZGQ-UHFFFAOYSA-N
rxn:5:196918:226901:225824,O=C1CCCCN1c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1cc(C2CC2)cc(C(F)(F)F)c1,BPKJCSHBQCDSBF-UHFFFAOYSA-N
rxn:5:196922:222990:226900,O=C1CCCCN1c1cc(-c2ccc(N3CCC(O)CC3)cc2)cc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,ADRZAQWQCXQPIX-UHFFFAOYSA-N
rxn:5:196922:226364:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccc(N3CCCCC3)nc2)cc(N2CCCCC2=O)c1,TVCTVAOAGVSPBM-UHFFFAOYSA-N
rxn:5:196923:226837:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(N2CCCCC2=O)cc1-c1c(C)nn(CC(F)(F)F)c1C,DXGHASQKIXYBPW-UHFFFAOYSA-N
rxn:5:196970:225944:225451,CC(C)Oc1c(F)cc(F)c(-c2c(C3CCCCC3)ccnc2-c2ccc(SC3CCCCC3)cc2)c1F,TVCLFZGEPLSPMP-UHFFFAOYSA-N
rxn:5:196977:223006:223064,Fc1ccc(-c2ccc(N3CCCCC3)cc2-c2ccc(C3CCNCC3)nc2F)cc1C1CCNCC1,FGPBDQZGQDLIDW-UHFFFAOYSA-N
rxn:5:196977:223064:223064,Fc1nc(C2CCNCC2)ccc1-c1ccc(N2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1F,JQNUOZATRGPBPH-UHFFFAOYSA-N
rxn:5:196979:226027:226040,Cc1c(-c2cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc(N3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],IKTJCBHEQVLQRL-UHFFFAOYSA-N
rxn:5:197526:222992:226900,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(N3CCCCC3O)cc1)c2-c1ccc(S(F)(F)(F)(F)F)cc1,DYHKKQZNLMMBDH-UHFFFAOYSA-N
rxn:5:197526:225988:226782,COC(=O)c1cc(F)c(-c2c(-c3c(F)cc(C4OCCO4)cc3F)ccc3c2C(=O)CN3C(C)=O)cc1F,ZBWIGLIOGITIJD-UHFFFAOYSA-N
rxn:5:197876:226035:226835,COc1ccc(C(F)(F)F)c(F)c1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,OOQLQFCGNBISOT-UHFFFAOYSA-N
rxn:5:197876:227736:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1C)S(=O)(=O)N(C(C)(C)C)C2=O,CWVAVAXSOPGKAY-UHFFFAOYSA-N
rxn:5:197876:228196:227279,Cc1ncnc(C2CC2)c1-c1cc2c(cc1-c1cc(C3CC3)nn1C(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,NWWMSRLNWDGHCI-UHFFFAOYSA-N
rxn:5:197876:229168:226837,COc1nc(C)sc1-c1cc2c(cc1-c1c(C)nn(CC(F)(F)F)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,MCFIZLZVBUZVFE-UHFFFAOYSA-N
rxn:5:227203:190131:227561,COc1cc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc4c(c3)OCCCO4)c2OC)cc1OC,ACDFHIUNTFFUFI-UHFFFAOYSA-N
rxn:4:173423:222722,CC(C)COc1cc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)ccc1OCC(F)(F)F,KVJXZKQNOCEEHL-UHFFFAOYSA-N
rxn:4:173501:223976,CCOc1ccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1S(=O)(=O)Oc1ccc(OC)cc1,ZYCQJLJKKVUCEF-UHFFFAOYSA-N
rxn:4:173508:225035,COc1cc(-c2cc(F)ccc2OC2CCCCC2)ccc1OCCOC1CCCCO1,HNYWLMJCRSDVBY-UHFFFAOYSA-N
rxn:4:173860:223592,CCCOc1ccc(OC(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,CTVLYQBDXSBZRA-UHFFFAOYSA-N
rxn:4:173918:223712,COC(=O)CC(=O)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1OC,MZGPAVRNCHHCDX-UHFFFAOYSA-N
rxn:4:174021:223598,CCOC(OCC)c1ccccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,ZLVVVAJRSINUDV-UHFFFAOYSA-N
rxn:4:174152:222513,COC(=O)C(C)(C)COc1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)c(F)c1,YOIAGYCVWOQMRU-UHFFFAOYSA-N
rxn:4:174292:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cccc(CCC(=O)c4ccc(C(F)(F)F)cc4)c3)c2)C1,OOBORIXRRRUTQR-UHFFFAOYSA-N
rxn:4:174292:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(CCC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2)CC1,PMLDFEJABYNSOS-UHFFFAOYSA-N
rxn:4:174372:224586,COC(=O)c1cc(-c2cc(F)ccc2CN2CCC(C)CC2)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,KTARABOIXUXUKH-UHFFFAOYSA-N
rxn:4:174378:224592,COc1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc1OCCC1OCCCO1,JOIXTRURYKJASR-UHFFFAOYSA-N
rxn:4:174406:222854,COC(=O)C1(c2ccc(-c3cc(C4CCCNC4)ccc3OC)cc2)CC(OC)(OC)C1,NBJGWZHLWKDDSM-UHFFFAOYSA-N
rxn:4:174406:222855,COC(=O)C1(c2ccc(-c3cc(OC)cc(C4CCCNC4)c3)cc2)CC(OC)(OC)C1,PYUDOGZBRPCKQP-UHFFFAOYSA-N
rxn:4:174406:222910,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C(=O)OC)CC(OC)(OC)C3)cc2)c(C)c1,BSKMSHUAOCCTOI-UHFFFAOYSA-N
rxn:4:174406:224598,COC(=O)C1(c2ccc(-c3ccc(N4CCC(C)CC4)cc3OC)cc2)CC(OC)(OC)C1,FLDLSPDDEMPCPO-UHFFFAOYSA-N
rxn:4:174406:224656,COC(=O)C1(c2ccc(-c3ccc(OC)c(OC4CCCC4)c3F)cc2)CC(OC)(OC)C1,MIHZMIDBSMCDFE-UHFFFAOYSA-N
rxn:4:174406:224877,COC(=O)C1(c2ccc(-c3ccc(COC4CCCCC4)cc3)cc2)CC(OC)(OC)C1,MYHRLTHSBNEYKR-UHFFFAOYSA-N
rxn:4:174406:224949,COC(=O)C1(c2ccc(-c3ccc(OC)c(CN4CCCC4)c3)cc2)CC(OC)(OC)C1,YRSLSZKUVOLIAN-UHFFFAOYSA-N
rxn:4:174406:225003,COC(=O)C1(c2ccc(-c3ccc(N4CCCCC4)cc3OC)cc2)CC(OC)(OC)C1,HQGZIWHWUOLNLP-UHFFFAOYSA-N
rxn:4:174407:222855,COC(=O)C1(c2cccc(-c3cc(OC)cc(C4CCCNC4)c3)c2)CC(OC)(OC)C1,PUJGTLYMLPSJGS-UHFFFAOYSA-N
rxn:4:174407:224656,COC(=O)C1(c2cccc(-c3ccc(OC)c(OC4CCCC4)c3F)c2)CC(OC)(OC)C1,HZLREQNELUAGSL-UHFFFAOYSA-N
rxn:4:174407:224949,COC(=O)C1(c2cccc(-c3ccc(OC)c(CN4CCCC4)c3)c2)CC(OC)(OC)C1,BWXLLTWSVFYWIH-UHFFFAOYSA-N
rxn:4:174469:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c1,WGUYEICQDCDSFA-UHFFFAOYSA-N
rxn:4:174487:224552,COc1ccc(CO[Si](C)(C)C(C)(C)C)c(-c2cc(F)cc(COC3CCCCC3)c2)c1,VFLYBLNIOYOIGA-UHFFFAOYSA-N
rxn:4:174663:222818,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(F)cc1NC(C)=O,IAQVFRSNFBBMHT-UVBYPFCRSA-N
rxn:4:174663:224259,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1,SHCAUKMQEOTJKZ-QNEAORKJSA-N
rxn:4:174663:224659,CN1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c2)CC1,MEOGODOOKJLSPN-SFPUTPFGSA-N
rxn:4:174663:224846,CCC1CCC(c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2)CC1,PPUNWDUSAAWAKD-CATMDBPVSA-N
rxn:4:174663:224997,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1,LIKJDWZGTPFGCN-SFPUTPFGSA-N
rxn:4:174663:226112,Cc1cc(OCC2CC2)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,VKHIIRZSAKBUCF-HTDAYYDWSA-N
rxn:4:174663:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,HHLORGHHQOUPBP-LWMYCZQRSA-N
rxn:4:174663:228085,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2OCC#N)cc1,XYEJZNUUNZNVLH-OUYRWIGOSA-N
rxn:4:174663:228369,Cc1ccc([N+](=O)[O-])cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,ILVYAUBYDVFIAA-KDFQQASRSA-N
rxn:4:174663:228471,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)cc1,ARHCZYXOUNAFDH-UAJPHTGBSA-N
rxn:4:174701:223606,COC(=O)COc1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1F,NNTHBGWHUXIEAK-UHFFFAOYSA-N
rxn:4:175397:223598,COc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1OCC(C)C,BYGWFUNRTHVWLN-UHFFFAOYSA-N
rxn:4:175705:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(OCCC4OCCO4)cc3C)c2)CC1,NSBDBRPSNHLYPV-UHFFFAOYSA-N
rxn:4:175799:223832,COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,PKNPOWGLDHCNSS-UHFFFAOYSA-N
rxn:4:175931:223834,Cc1cc(OCCC2OCCO2)cc(C)c1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,HJPGKAIZAVTEAG-UHFFFAOYSA-N
rxn:4:175966:223577,COC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1S(=O)(=O)c1ccccc1C,XEODKRODDIBOGV-UHFFFAOYSA-N
rxn:4:175981:224327,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1,HPOHLFZDSOTTNX-CFAJLAAASA-N
rxn:4:175992:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)cc(C2OCCO2)c1OC(C)C,SCGOEPYSBFQUJZ-UHFFFAOYSA-N
rxn:4:176085:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c2)CC1,IZNURRAQLOTBGA-UHFFFAOYSA-N
rxn:4:176091:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C,YDMRZYNPKIJYHA-UHFFFAOYSA-N
rxn:4:176119:223790,CC(C)(C)OC(=O)c1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)cc(-c2ccc(Cl)cc2F)c1,YSHSSXMTHHIETM-UHFFFAOYSA-N
rxn:4:176128:222604,COc1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1O[Si](C)(C)C(C)(C)C,NDYJSLRYRKEQRB-UHFFFAOYSA-N
rxn:4:176157:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)ccc1CO[Si](C)(C)C(C)(C)C,OJMWZYGUTHBUBS-UHFFFAOYSA-N
rxn:4:176215:224169,COCCOC1CCCOc2cc(-c3cccc(OCCCN4CCOCC4)c3)ccc21,SBBDZDZODBSZEZ-UHFFFAOYSA-N
rxn:4:176215:224285,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCOCC4)cc3F)ccc21,WUQKSRCSGWPXMS-UHFFFAOYSA-N
rxn:4:176929:223608,COC(=O)c1cc(F)c(F)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1OC,VWKRGZTUVPJMEP-UHFFFAOYSA-N
rxn:4:177079:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(F)(F)F)c(OC4CC4)c3)c2)CC1,MZUXVNZHOAIFNF-UHFFFAOYSA-N
rxn:4:178384:224428,CCCCOc1ccc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2c1,KEZVSQWHOMTKKW-UHFFFAOYSA-N
rxn:4:178397:223480,CCOC(=O)c1cc2cccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2s1,XZDMBNOMKULRDR-UHFFFAOYSA-N
rxn:4:178584:222605,COc1cc2c(cc1OC)C(c1ccc(-c3cc(S(=O)(=O)NC4CCCC4)ccc3OC)cc1)OC(C)C2,VFZNZTXDDUGHJD-UHFFFAOYSA-N
rxn:4:178588:224552,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cc(F)cc(COC4CCCCC4)c3)ccc2C1,BKLMGJBWOIWDNV-UHFFFAOYSA-N
rxn:4:178598:225125,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2OCC2CCOC2)c1,JLUGRZOGXXWHPP-UHFFFAOYSA-N
rxn:4:178598:225345,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)N(C)C)ccc2OC)c1,SBHYDDIQBUOMMC-UHFFFAOYSA-N
rxn:4:179653:225385,FC(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc(C(F)(F)F)n1,UKNBCHSEBWBWSR-UHFFFAOYSA-N
rxn:4:180049:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)c4ccc(F)cc4)cc3)c2)CC1,VUVLINFTKIBNAS-UHFFFAOYSA-N
rxn:4:180290:223813,COc1c(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1C1OCCO1,QFUWTVVZTUKQAF-UHFFFAOYSA-N
rxn:4:180390:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CC4)cc3C3CCCO3)c(Cl)c2)CC1,RQXQZEGMGXJNEX-UHFFFAOYSA-N
rxn:4:180447:224685,CC1(C)OC(=O)C(Cc2ccccc2-c2cccc(C(=O)N3CCC(=O)CC3)c2)C(=O)O1,LATDHUAIMYAAHL-UHFFFAOYSA-N
rxn:4:180447:224754,CC1(C)OC(=O)C(Cc2ccccc2-c2ccccc2S(=O)(=O)N2CCCCC2)C(=O)O1,FRCLJTMREQSPSC-UHFFFAOYSA-N
rxn:4:180507:224552,C[Si](C)(C)c1c(C2OCCO2)cc(-c2cc(F)cc(COC3CCCCC3)c2)c(F)c1F,XVWNALRJFHAHSU-UHFFFAOYSA-N
rxn:4:180512:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC4CCCCC4)cc3C)c(F)c2)CC1,OOORSUVIVJYZOM-HNKWHGCMSA-N
rxn:4:182083:222432,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)c2ccccc12,ZDHWVUXHUCJCMR-WBHOSURLSA-N
rxn:4:182083:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)cc1,GCDDFVKCNGBLSO-IVTHYNQTSA-N
rxn:4:182108:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCCCCCC4)cc3)c(F)c2)CC1,BWYOQDIKOCXNCM-HNKWHGCMSA-N
rxn:4:182179:223474,O=C1c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2CC1C(F)(F)F,YVDYOQGIODNWRR-UHFFFAOYSA-N
rxn:4:182360:224022,O=C1CC(C2CCCOC2)Oc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21,NBZLGMYLZPRHIH-UHFFFAOYSA-N
rxn:4:183234:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(c3)C3(CCOC3)CC4=O)c2)CC1,PDTXOUOHCQCTSV-UHFFFAOYSA-N
rxn:4:183257:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)COC3(CCOCC3)O4)c2)CC1,OOJLFPLAYPGMDU-UHFFFAOYSA-N
rxn:4:183272:222529,COc1ccc(CNCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)cc1,SMXDGZJLOXGDBN-UHFFFAOYSA-N
rxn:4:183272:224120,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1CO[Si](C)(C)C(C)(C)C,UUXPUMGJPPEKLC-UHFFFAOYSA-N
rxn:4:183272:224611,COCCn1cc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)c2)cn1,GWNHGXLFTBTGRU-UHFFFAOYSA-N
rxn:4:183272:226123,COCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1C1CC1,XQLKDAVCLGRTGA-UHFFFAOYSA-N
rxn:4:183272:227320,COc1cccc(N(C)C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,HALQPGAQOUWQGZ-UHFFFAOYSA-N
rxn:4:183273:222529,COc1ccc(CNCc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)cc1,RPHVHGLDXLTBJA-UHFFFAOYSA-N
rxn:4:183273:224430,CCC(C)Oc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc2c1,BOAAOZAHZMJRCH-UHFFFAOYSA-N
rxn:4:183273:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YUGMDNZERLRKCH-UHFFFAOYSA-N
rxn:4:183273:227829,c1ccc(C2CCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,ZRFNCJHLUWSKMQ-UHFFFAOYSA-N
rxn:4:183274:227851,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c2cnccc2c1,YWCLAUHQOKVHQE-UHFFFAOYSA-N
rxn:4:183274:228454,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(OC)nn1,WDOKYDCXIGPWOD-UHFFFAOYSA-N
rxn:4:183274:228669,c1cc2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2o1,ZFWHORWZWFLDDD-UHFFFAOYSA-N
rxn:4:183274:228974,CS(=O)(=O)n1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cn1,LRDXBDROTYVQMO-UHFFFAOYSA-N
rxn:4:183702:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc([N+](=O)[O-])c(C(=O)OC)cc3OCc3ccccc3)c2)CC1,BCWWMBOAFRDKBA-UHFFFAOYSA-N
rxn:4:183723:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)CC1,RQTVNQCOPMQMBS-UHFFFAOYSA-N
rxn:4:183765:225754,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc(C(=O)OC)ncc2C2CC2)C1,RQFBRNQRJGHITQ-UHFFFAOYSA-N
rxn:4:183803:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)CC1,OZGZQSVETNSCMD-UHFFFAOYSA-N
rxn:4:183870:223104,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc2)C1,OFJDLXYYOFDXLS-UHFFFAOYSA-N
rxn:4:183873:224590,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccc(CN3CCC(C)CC3)cc2F)c1,HCPKLATXHGAYSM-UHFFFAOYSA-N
rxn:4:183873:224593,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)c1,XQJXQQKNVDIFKT-UHFFFAOYSA-N
rxn:4:183878:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(Cl)cc(OCC4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,XJINNZKVQBCPGX-UHFFFAOYSA-N
rxn:4:183880:223581,COC(=O)c1cccc2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)n(C(=O)OC(C)(C)C)c12,DDOFTTVFPKUSKM-UHFFFAOYSA-N
rxn:4:183880:223739,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ccccc34)cc2F)C1,JVEIXMRIKLSUNI-UHFFFAOYSA-N
rxn:4:183882:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)c(Cl)c2)CC1,QYXFIMXQTZKHGN-UHFFFAOYSA-N
rxn:4:183882:223668,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)c2)C1,XKASWBBFFAXXSW-UHFFFAOYSA-N
rxn:4:183882:225911,COC(=O)c1cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)c(Cl)cc1OC,AYEAPQZUTNJBLB-UHFFFAOYSA-N
rxn:4:183961:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1,CRKMRROJDHIZHW-FQEVSTJZSA-N
rxn:4:183963:223492,Cc1cc(-c2c(C)cccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GLAGQOLEQUUWCK-UHFFFAOYSA-N
rxn:4:183963:223670,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,MKOQDVNQRROJJN-UHFFFAOYSA-N
rxn:4:183963:223885,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,MEOWTXRFUPICJM-UHFFFAOYSA-N
rxn:4:183963:223933,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc2cc(F)ccc2n1C(=O)OC(C)(C)C,NJZALWWTWPQRHN-UHFFFAOYSA-N
rxn:4:183963:224277,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,RZERRMHXFGTBJK-UHFFFAOYSA-N
rxn:4:183963:225762,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cc(Cl)c(F)c(OCC(C)C)c1,WHTQRWOXDQWWFW-UHFFFAOYSA-N
rxn:4:184006:225345,COc1ccc(C(=O)N(c2ccc(-c3cc(S(=O)(=O)N(C)C)ccc3OC)cc2)C2C=CS(=O)(=O)C2)cc1OC,JQYQBEXYOOKXQH-UHFFFAOYSA-N
rxn:4:184013:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(COC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,ALNKKCLKBZNQPJ-UHFFFAOYSA-N
rxn:4:184014:223638,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,SKMKLPWTZLCTHI-UHFFFAOYSA-N
rxn:4:184017:223577,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,PQLRIKCTLSFRKF-UHFFFAOYSA-N
rxn:4:184022:223638,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,UHBBLUWZGUJTEX-UHFFFAOYSA-N
rxn:4:184022:225798,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2ccc(OC3CCOCC3)nc2)CC1,ANMGGFHCBGWIOM-UHFFFAOYSA-N
rxn:4:184025:228356,CC(C)c1nc(Cl)ncc1-c1ccc(Cl)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,BTLBWYAVUSULNK-UHFFFAOYSA-N
rxn:4:184026:224279,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2Cl)C1,NGVBQAZJIOYWEN-UHFFFAOYSA-N
rxn:4:184031:223578,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)C1,HBBDIURVXAMSQF-UHFFFAOYSA-N
rxn:4:184056:225911,COC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)c(Cl)cc1OC,FDQOCPHUXRQXLH-UHFFFAOYSA-N
rxn:4:184092:225294,CCN1CCN(c2ncc(-c3ccc(CN(C(=O)c4ccc(C(C)(C)C)cc4)C4CCS(=O)(=O)C4)o3)cn2)CC1,UVKNQXOMFBVUJO-UHFFFAOYSA-N
rxn:4:184095:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO[Si](C)(C)C(C)(C)C)cc3)c2)C1,XIZDVORSDMRXPK-ANWICMFUSA-N
rxn:4:184216:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)c1,FFWZSNWIOQCVEV-UHFFFAOYSA-N
rxn:4:184775:224818,O=C(CCc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1)ON1C(=O)CCC1=O,FRRFGHTZBYTNKL-UHFFFAOYSA-N
rxn:4:184814:223527,CCN(CC)CCc1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,CEZPDMJLWZNMNT-UHFFFAOYSA-N
rxn:4:184836:222684,CCN(CC)c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c(C(=O)OC)cc1F,YOGZQMVXCUMCID-UHFFFAOYSA-N
rxn:4:184864:222426,COC(=O)C(c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)ccc1OC)N(C)C,YZAVWWYZCSLYLG-UHFFFAOYSA-N
rxn:4:184864:224306,COC(=O)C(c1cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)ccc1OC)N(C)C,IUYCRZFPHWXXPL-UHFFFAOYSA-N
rxn:4:185027:225232,CC1CCN(c2cc(-c3cccc(SC4CN(C(=O)OC(C)(C)C)C4)c3)cnc2Cl)CC1,CDOOUTUAVOPYGI-UHFFFAOYSA-N
rxn:4:185108:222740,CC(C)c1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc(C2CCCNC2)n1,FIWKVUCQQYAUON-UHFFFAOYSA-N
rxn:4:185111:224171,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCCN3CCCC3)c(F)c2)CC1,QZAMOHIPWGGBDI-UHFFFAOYSA-N
rxn:4:185120:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)c([N+](=O)[O-])c3)ccc2F)CC1,NSSHEHVVIIEUMG-UHFFFAOYSA-N
rxn:4:185145:222723,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)C1,YJEGYXKTUSDQHL-UHFFFAOYSA-N
rxn:4:185145:225636,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(C)CC4)c3)cc2)C1,DUBBCPHBRGHKAH-UHFFFAOYSA-N
rxn:4:185149:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,GPEJDEJYUDHXRZ-UHFFFAOYSA-N
rxn:4:185201:223534,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,GGKRZTKWNYNXND-UHFFFAOYSA-N
rxn:4:185204:223904,COc1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C1CN(C(=O)OC(C)(C)C)C1,RGERXXAPXQNAHL-UHFFFAOYSA-N
rxn:4:185260:223683,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C1,PZYSIASEZJMBOX-UHFFFAOYSA-N
rxn:4:185269:225880,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCOCC4)ncc3F)cc2)(C(F)(F)F)C1,FWTQHGGEZFOASQ-UHFFFAOYSA-N
rxn:4:185271:225947,CN1CCN(c2ncc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cn2)CC1,LSTHIGCZNIOKHS-UHFFFAOYSA-N
rxn:4:185313:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1,GRRVLGLHNBHIMD-UHFFFAOYSA-N
rxn:4:185313:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1,VZFITKXLIJUJLD-UHFFFAOYSA-N
rxn:4:185314:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cccc(OC3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,KBLGCTKJHHTVDV-UHFFFAOYSA-N
rxn:4:185315:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CC4)c(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,IAWIXQGGXMXKCB-UHFFFAOYSA-N
rxn:4:185318:223189,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc(NS(C)(=O)=O)cc3F)cc(C3CC3)c2)C1,CBHUNDCHOQVFJY-UHFFFAOYSA-N
rxn:4:185318:223556,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,WHSGWIHKGDFDKS-UHFFFAOYSA-N
rxn:4:185319:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)c(F)c1,KUTJXOVDMZUTBO-UHFFFAOYSA-N
rxn:4:185324:223888,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)CC1,WGMAKFZTFFKHDR-UHFFFAOYSA-N
rxn:4:185324:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VKGZKUYXCFOFEN-UHFFFAOYSA-N
rxn:4:185352:223588,Cc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VYVGJXHNFZQSHQ-UHFFFAOYSA-N
rxn:4:185352:225909,CCOc1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,VQCMBRRTMRWLDP-UHFFFAOYSA-N
rxn:4:185352:227706,COc1cnc(C(F)F)c(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,WMVUMSBTLPWZCJ-UHFFFAOYSA-N
rxn:4:185354:224274,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc3cnccc3n2C(=O)OC(C)(C)C)CC1,KEHKWTQHEFJGKP-UHFFFAOYSA-N
rxn:4:185354:224371,COC(=O)C1CCN(c2ncc(-c3ccccc3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,INRJYJIDVPDEJE-UHFFFAOYSA-N
rxn:4:185371:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)c1,PRTKOALHXDCARS-UHFFFAOYSA-N
rxn:4:185377:223500,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,AORWMCLHUDXIJB-UHFFFAOYSA-N
rxn:4:185381:223975,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc(C(F)(F)F)c2)C1,NSFGMMJVSUKJCJ-UHFFFAOYSA-N
rxn:4:185381:225517,CN(C)CCCOc1cccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c1,SWPBYOCNLOKUKN-UHFFFAOYSA-N
rxn:4:185383:223788,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc(C(F)(F)F)c2)CC1,OIEXBRCPNOFZJN-UHFFFAOYSA-N
rxn:4:185388:225995,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C#N)ccc3OC(F)(F)F)cc2C(F)(F)F)C1,LCAQXKNCZBNSMB-UHFFFAOYSA-N
rxn:4:185405:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CC4)ccc3C3CCN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,GJEHDOOPRQUEAE-UHFFFAOYSA-N
rxn:4:185406:225294,CCN1CCN(c2ncc(-c3cc(OC)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,NWPGDCCMLZBKBH-UHFFFAOYSA-N
rxn:4:185414:223596,Cc1cc(Cl)cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,FXIZASFDWQIIJT-UHFFFAOYSA-N
rxn:4:185414:223651,Cc1cc(Cl)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,XBDCPSWUZWBDRA-UHFFFAOYSA-N
rxn:4:185420:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CC3)cc2C2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)cn1,UFCXDZUWOXGACJ-UHFFFAOYSA-N
rxn:4:185420:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CC4)cc3C3CN(C(=O)OC(C)(C)C)CCO3)cc2F)CC1,HYUVAYHWXVPJAI-UHFFFAOYSA-N
rxn:4:185421:224306,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c(C3CC3)c2)C1,XJEXYKSQCXLJRQ-UHFFFAOYSA-N
rxn:4:185422:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)c(C4CC4)c3)cc2F)CC1,FMKWFADPXGBYKO-UHFFFAOYSA-N
rxn:4:185422:223933,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2C2CC2)C1,KBXVEUQYRDLZJG-UHFFFAOYSA-N
rxn:4:185423:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,BYVBIBRTHAVHTB-UHFFFAOYSA-N
rxn:4:185441:224274,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cc2)CC1,HEPJIIKRPCHJGZ-UHFFFAOYSA-N
rxn:4:185442:225561,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccccc2C(=O)OC(C)(C)C)cc(C2COC2)c1,NNTNHBDUONSOCV-UHFFFAOYSA-N
rxn:4:185442:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,VSYCFJDCEKMELH-UHFFFAOYSA-N
rxn:4:185964:223695,CCOC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],CFFWPXSCIHALHP-UHFFFAOYSA-N
rxn:4:186495:224375,O=C(Cc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1)ON1C(=O)CCC1=O,PPWRNVJJKMTGNP-UHFFFAOYSA-N
rxn:4:186661:224008,COc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,YNVYJBFQXFCWDR-UHFFFAOYSA-N
rxn:4:186663:224751,COc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1,ROISNPKGOLVLHI-UHFFFAOYSA-N
rxn:4:186922:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(OC(F)(F)F)c1,YKVLZVCPPSXOFO-UHFFFAOYSA-N
rxn:4:186990:224396,Cc1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,ACILSTLYBMVGOB-UHFFFAOYSA-N
rxn:4:187189:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)c2)C1,DZNIBLGKXJTICF-UHFFFAOYSA-N
rxn:4:187204:224653,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2Cl)C1,QTOAPNKRCRPORS-UHFFFAOYSA-N
rxn:4:187205:223818,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)C1,VWJGWQSCVOIAEP-UHFFFAOYSA-N
rxn:4:187205:223888,CC(C)(C)OC(=O)N1CC(c2cc(Cl)ccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)C1,BJIWUSFTJILTDW-UHFFFAOYSA-N
rxn:4:187205:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(Cl)cc3C3CN(C(=O)OC(C)(C)C)C3)c2)C1,OMFMSHLWGJVXLE-UHFFFAOYSA-N
rxn:4:187205:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(Cl)cc3C3CN(C(=O)OC(C)(C)C)C3)cnc2C1,NYBSBQDGTKAPFO-UHFFFAOYSA-N
rxn:4:187206:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3Cl)s2)CC1,FNNXYFFSYSMIFM-UHFFFAOYSA-N
rxn:4:187214:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,SOHKQRKNWMHKJI-UHFFFAOYSA-N
rxn:4:187220:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,YRPFYURDEIYTPO-UHFFFAOYSA-N
rxn:4:187220:224714,CCCCOc1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1C(F)(F)F,WISQUAASDKIHKB-UHFFFAOYSA-N
rxn:4:187300:223786,CC1CCN(CCOc2ccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc2Cl)CC1,FJQQUFUTTJUBBT-UHFFFAOYSA-N
rxn:4:187304:224656,COc1ccc(-c2ccc(F)c(CCN3CCC(OC)CC3)c2)c(F)c1OC1CCCC1,HISLOUQZHYGAFN-UHFFFAOYSA-N
rxn:4:187316:224375,CC(C)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1C(=O)N1CCOCC1,HTXYQMXSXUIBMA-UHFFFAOYSA-N
rxn:4:187436:223788,Cc1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,ZWMMDCBDERVTLU-UHFFFAOYSA-N
rxn:4:187445:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc(C(F)(F)F)c2)CC1,SSOBKVOCSWOFEI-UHFFFAOYSA-N
rxn:4:187445:224356,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cc2F)C1,BBIBRGAZZSEIPI-UHFFFAOYSA-N
rxn:4:187488:224320,CCOc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)N1CCC(C)CC1,QOUWCSMTWYZLGA-UHFFFAOYSA-N
rxn:4:187489:222623,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(C(C)CC)nc(C2CCNCC2)c1,YFUCEEMTDKSNEA-UHFFFAOYSA-N
rxn:4:187504:223110,CC(C)(C)NCc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1,HBGPDCBCSOYRPS-UHFFFAOYSA-N
rxn:4:187505:225432,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cccc(COC4CCCC4)c3)cc2Cl)C1,BPKVKLPESMDGHZ-UHFFFAOYSA-N
rxn:4:187541:224656,COc1ccc(-c2ccc(OC3CCN(C)CC3)cc2OC(C)C)c(F)c1OC1CCCC1,AWGRTNGTIFFZIM-UHFFFAOYSA-N
rxn:4:187558:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)c(Cl)cn1,OKRBFXLNAULZHA-UHFFFAOYSA-N
rxn:4:187558:223581,COC(=O)c1cccc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)n(C(=O)OC(C)(C)C)c12,ICABPMGOVASWCM-UHFFFAOYSA-N
rxn:4:187558:224280,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)C(=O)C1,BOAFSWZSFPLUOH-UHFFFAOYSA-N
rxn:4:187573:223588,Cc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OCVAZLVDTOWCGH-UHFFFAOYSA-N
rxn:4:187578:223575,Cc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,LDIHJHOAKQXZTM-UHFFFAOYSA-N
rxn:4:187581:222477,Cc1ccc(CNC(=O)c2cccc(-c3coc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)c2F)cc1,LQBPEJXLUQVDSU-UHFFFAOYSA-N
rxn:4:187583:223574,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,GSFMGGFCRORNFY-UHFFFAOYSA-N
rxn:4:187587:225592,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)ccc3CN3CCCC3)cc2Cl)CC1,IFZBGNGMTNXYGW-UHFFFAOYSA-N
rxn:4:187592:226829,Cc1cc(C(F)(F)F)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1Cl,VFQOQTWDTAVBIU-UHFFFAOYSA-N
rxn:4:187594:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,NVPDOFVPYNYXAW-UHFFFAOYSA-N
rxn:4:187594:223883,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)C1,VLGOSVFTXRFKDV-UHFFFAOYSA-N
rxn:4:187595:225758,CC(C)(C)OC(=O)c1cnccc1-c1cc(F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,FFISBMCYUIZHBK-UHFFFAOYSA-N
rxn:4:187596:224273,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)ccc2F)CC1,UNMDSINMEIAAQH-UHFFFAOYSA-N
rxn:4:187634:226901,O=C(C1CCCCC1)N(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,KUTPSEASMSQUSB-UHFFFAOYSA-N
rxn:4:187655:224650,CN(Cc1cc(-c2cc(F)ccc2OCC2CCOCC2)cc(C(C)(C)C)c1)C1CCCC1,GHQXWPYXVOPGNP-UHFFFAOYSA-N
rxn:4:187659:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,WQNLBIXMOVAQTL-UHFFFAOYSA-N
rxn:4:187662:223526,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,UPJIFTZCSXGOJP-UHFFFAOYSA-N
rxn:4:187668:223670,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,FMSDEDVFFHTMSR-UHFFFAOYSA-N
rxn:4:187668:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cc2)cc1,MOAYELJNIBXTTC-UHFFFAOYSA-N
rxn:4:187670:223934,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)c1,WMLMTLPEYKSMMK-UHFFFAOYSA-N
rxn:4:187673:223669,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,UHTSDLYGJQGVDD-UHFFFAOYSA-N
rxn:4:187779:223598,COCCCN1CCOc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc21,HAIAOOORTDTWIO-UHFFFAOYSA-N
rxn:4:187779:223748,COCCCN1CCOc2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc21,XBAPUKHABFPPAD-UHFFFAOYSA-N
rxn:4:187822:223521,CC(c1cccc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)c1)N1CCN(C(=O)OC(C)(C)C)CC1,YBWOGWILBRUCTM-UHFFFAOYSA-N
rxn:4:187910:223842,CSC1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,QAMIXZPACTWKPM-UHFFFAOYSA-N
rxn:4:187916:224575,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(N2CCC(C)CC2)cc1C#N,PHVBGVHPWMXHDW-UHFFFAOYSA-N
rxn:4:187927:223493,COC(=O)Cn1c(-c2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc2C)c(C)c2cc(Cl)c(F)cc21,SHPIUYPYMXFTQR-UHFFFAOYSA-N
rxn:4:187944:223148,c1ccc(C2CNCCO2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,DHMXZIURINPNBR-UHFFFAOYSA-N
rxn:4:187944:224072,COCCCOc1ccc2cc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)ccc2c1,SFODCCLUWLYIMC-UHFFFAOYSA-N
rxn:4:187944:225600,c1cnc(OC2CCCCC2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,HRGBOWLBDQUMBU-UHFFFAOYSA-N
rxn:4:187944:225619,Clc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(OC2CCCC2)c1,USMLUAIPZWVEEJ-UHFFFAOYSA-N
rxn:4:187944:225718,COC(COc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1)OC,MKMHQUCEMAVZMC-UHFFFAOYSA-N
rxn:4:187944:226227,COCCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1,DDLPEXOOQUGUAK-UHFFFAOYSA-N
rxn:4:187944:226304,COc1cc(OC(C)C)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,MTCGODVDAPICAZ-UHFFFAOYSA-N
rxn:4:187995:222432,CCc1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,JBKLCBCWCPQAJK-UHFFFAOYSA-N
rxn:4:187995:224719,CCc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,OZIPAGQKHHENLJ-UHFFFAOYSA-N
rxn:4:188271:223595,COC(=O)c1cc(C#N)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1F,URQYBHSKVWNPQY-UHFFFAOYSA-N
rxn:4:188314:223539,COc1ccc(-c2c(C)noc2COC(C)=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,DGINCQHJHAMKJV-UHFFFAOYSA-N
rxn:4:188445:223606,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc([N+](=O)[O-])c1Cl,MMRLQZASTZVLJU-UHFFFAOYSA-N
rxn:4:188470:223696,COC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1[N+](=O)[O-],WKUWTYSAFUTDRY-UHFFFAOYSA-N
rxn:4:188756:223492,COC(=O)c1cc(C)cc(C#N)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,QLNRAIWQQWBHJQ-UHFFFAOYSA-N
rxn:4:189219:224008,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,ZFJFCRCSWLKWKN-UHFFFAOYSA-N
rxn:4:189282:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(C)C)ncc3C(=O)OC)ccc2OC)CC1,WLLUYDMDHBXISS-UHFFFAOYSA-N
rxn:4:189600:224819,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,ALBBLRQMLNCIHQ-UHFFFAOYSA-N
rxn:4:189702:224760,CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)C1,VPGIXJGHAHLFLC-UHFFFAOYSA-N
rxn:4:189926:224830,O=S(=O)(Cc1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)N1CCOCC1,UHHCJRWMBZDXRI-UHFFFAOYSA-N
rxn:4:189973:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,JPSWKMTUDAVXIG-UHFFFAOYSA-N
rxn:4:190005:223534,CN(C(=O)c1cccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1F)C1CCCC1,DTKIXEWBAKEEJU-UHFFFAOYSA-N
rxn:4:190099:222537,Fc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1CCN1CCCCC1,PWZSUHFLQJHHRY-UHFFFAOYSA-N
rxn:4:190185:223814,COCc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)ccc1N1CCCC1C,XLOJNWBDYUTVFC-UHFFFAOYSA-N
rxn:4:190271:223958,CCN1CCN(C(=O)c2ccc(-c3cc(F)ccc3CC(=O)N3CCC(C)CC3)cc2F)CC1,OIZJYLVRIIJSHY-UHFFFAOYSA-N
rxn:4:190379:223786,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,WJVMVWZNCATZFN-UHFFFAOYSA-N
rxn:4:190379:223894,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(OCCCN2CCN(C)CC2)c1,YYHKNRZARWZXIC-UHFFFAOYSA-N
rxn:4:190380:222857,COc1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2OC)cc(C2CCNCC2)c1,VTPFWANZYKDXJJ-UHFFFAOYSA-N
rxn:4:190465:223834,Cc1cc(-c2ccc(S(=O)(=O)N3CCSC(c4ccccc4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,PHWSUAIAELKFQC-UHFFFAOYSA-N
rxn:4:190827:224653,CC(C)(C)OC(=O)N1Cc2c(cccc2-c2ccc(Cl)cc2OCC2CCCCO2)C1=O,RBMRYTNBSCVZPZ-UHFFFAOYSA-N
rxn:4:191006:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,SEOKHSQVCXJYTR-UHFFFAOYSA-N
rxn:4:191031:223650,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2CC1,LYHIPTLMKUIXMA-UHFFFAOYSA-N
rxn:4:191063:224158,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cc3O2)C1,JELDHJQGUQXENT-UHFFFAOYSA-N
rxn:4:191063:226021,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4cc(Cl)ccc4OCC(F)(F)F)cc3O2)C1,IPTHTYSHOYBJMB-UHFFFAOYSA-N
rxn:4:191063:226457,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(C5CCOC5)c(F)c4)cc3O2)C1,XIFVXBJHAXHKMZ-UHFFFAOYSA-N
rxn:4:191099:225947,CN1CCN(c2ncc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,PVTBSKKDOGALBR-UHFFFAOYSA-N
rxn:4:191103:223508,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc32)CC1,WJNYTWZURFVVFF-UHFFFAOYSA-N
rxn:4:191103:225986,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4ccccc4N4CCCS4(=O)=O)cc32)CC1,GXRVEWMDWIIKLV-UHFFFAOYSA-N
rxn:4:191104:222432,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc12,BKBWCEJOFWZWDE-UHFFFAOYSA-N
rxn:4:191120:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)CC1,FEHSMASTQBNTSB-UHFFFAOYSA-N
rxn:4:191123:223860,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccccc4CN4CCCc5ccccc54)c32)CC1,WWJFZEGVGLWYQN-UHFFFAOYSA-N
rxn:4:191125:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)CC1,XCZCKQAZHPYNHT-UHFFFAOYSA-N
rxn:4:191127:226532,CCOC(=O)c1cc(F)cc(-c2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c1,NURCDQLVCPOSNI-UHFFFAOYSA-N
rxn:4:191129:228374,Cc1cc([N+](=O)[O-])ccc1-c1ccc2c(c1)CCC1(CCN(C(=O)OC(C)(C)C)CC1)O2,JJQFHTMUTDQGLX-UHFFFAOYSA-N
rxn:4:191390:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccc(C(=O)C(F)(F)F)n3)c2)CC1,BMBPLDLHULDNHJ-UHFFFAOYSA-N
rxn:4:191415:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(F)c(C(=O)C(F)(F)F)c2)CC1,UBVVYPZCZAJWKH-UHFFFAOYSA-N
rxn:4:192709:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(CN4CCC4)ccc3Cl)cc2Cl)CC1,YIKSHVJQAIXSIY-UHFFFAOYSA-N
rxn:4:193344:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(F)cc3CN3CCOCC3)c2)CC1,IVYOPMQJDDTVEF-UHFFFAOYSA-N
rxn:4:193383:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3F)c2)C1,MNESMMPEEGTQOC-UHFFFAOYSA-N
rxn:4:193499:223682,O=C1CCN(S(=O)(=O)c2cccc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)c2)CC1,TVNATISILWVDKB-UHFFFAOYSA-N
rxn:4:193603:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3F)cc2)CC1,VFNGAVXKBUXHGG-UHFFFAOYSA-N
rxn:4:193627:222773,O=C(NC1CCOCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1,ZPIHJNPSIOLSMX-UHFFFAOYSA-N
rxn:4:193627:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2)CC1,GUZKBHNLEDBPHK-UHFFFAOYSA-N
rxn:4:193738:223823,C[C@@H](c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCC(=O)CC1,BENMMBSVXBQGJF-IBGZPJMESA-N
rxn:4:193743:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)ccc3C3CC3)c(F)c2)CC1,MHCPWNZBMXLGLW-UHFFFAOYSA-N
rxn:4:193747:223997,Cc1cc(-c2ccc(N3CCOCC3)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCOCC1,KCHIMAQEQOEWIB-UHFFFAOYSA-N
rxn:4:193792:223845,CC1CCN(Cc2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)CC1,OLRPBAPYEARZNU-UHFFFAOYSA-N
rxn:4:193842:222702,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)c1,VOAXJRFEHDUVRS-UHFFFAOYSA-N
rxn:4:193908:222702,Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,KOUWJNTVFPWKFM-UHFFFAOYSA-N
rxn:4:193909:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)o1,RSLGEXQGWGGEET-UHFFFAOYSA-N
rxn:4:193918:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(=O)N2CCC(C)CC2)ccc1C,QOUNEYTYJDYINM-UHFFFAOYSA-N
rxn:4:193953:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccccc1CN1CCC2(CC1)OCCO2,ZOTSKEMNVRABMS-UHFFFAOYSA-N
rxn:4:193959:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCCCC2)c(C)cc1C,JEBNPXCKUMSNHS-UHFFFAOYSA-N
rxn:4:193961:224247,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,WMKDZDLKQXKUJO-UHFFFAOYSA-N
rxn:4:193965:223992,Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(S(=O)(=O)N2CCCC(C)C2)c1,YXZDGFACNSMMAS-UHFFFAOYSA-N
rxn:4:193972:222928,Cc1cc(-c2cnc(N3CCC(O)CC3)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1Cl,DQRPCAGNBTUFBE-UHFFFAOYSA-N
rxn:4:193979:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(C4SCC(=O)N4C4CCCCC4)cc3)c2)CC1,ZYBMLJHWXMINCQ-UHFFFAOYSA-N
rxn:4:194197:223501,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c2oc(C)nc2c1,UDGCQYCHHBRIDN-UHFFFAOYSA-N
rxn:4:194690:222538,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1)N1CCOc2ccc(F)cc2C1,CVQDOAXXWLGOMR-UHFFFAOYSA-N
rxn:4:194730:223812,COC1CCN(C2CCc3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,LAAXCNQPOLWDAU-UHFFFAOYSA-N
rxn:4:194731:223812,COC1CCN(C2CCc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc32)CC1,ZLKBTJRLZWDHGI-UHFFFAOYSA-N
rxn:4:194741:223696,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc1)C2,SICMCCVPQAFAOX-UHFFFAOYSA-N
rxn:4:194749:222524,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c3ccccc23)CC1,PCPCJPUKGLFCCF-UHFFFAOYSA-N
rxn:4:194749:223952,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)c3ccccc23)CC1,JOKDYFGNJWTKGS-UHFFFAOYSA-N
rxn:4:194768:223812,COC1CCN(C2CCCc3cc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,SOWCBSCWKBFUHL-UHFFFAOYSA-N
rxn:4:194768:225125,COC1CCN(C2CCCc3cc(-c4cc(F)ccc4OCC4CCOC4)ccc32)CC1,CTEZXBAWZUGTKE-UHFFFAOYSA-N
rxn:4:194768:225178,COC1CCN(C2CCCc3cc(-c4ccc(CN5CCOCC5)cc4F)ccc32)CC1,OLZZFGHTPDLPCX-UHFFFAOYSA-N
rxn:4:194810:225523,CCOC(=O)CCc1cccc(-c2ccc3c(c2)N2CCCC2=C(C(=O)OC)S3(=O)=O)c1,DAWNFNHEANOVIQ-UHFFFAOYSA-N
rxn:4:196711:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C4COCCC4=O)c3)ccn2)CC1,VZDUTCNQFZRQHL-UHFFFAOYSA-N
rxn:4:196881:223840,COc1ccc(-c2cc(F)c(N3CCOCC3)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1,UHCOOZBOYNSQAY-UHFFFAOYSA-N
rxn:4:197967:224194,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CCC4N3CCCC(C)C3)cc2Cl)CC1,IHUFHGKJDQEUQJ-UHFFFAOYSA-N
rxn:4:197987:224494,CC1CCCN(C2CCCc3c(-c4ccc(CCOC5CCCCO5)cc4)cccc32)C1,WQVUHIPXXDFMFX-UHFFFAOYSA-N
rxn:4:197988:224182,Cc1cc(-c2cccc3c2CCCC3N2CCC(C)CC2)ccc1OCCN1CCOCC1,RRSJLKFRJXEYFZ-UHFFFAOYSA-N
rxn:4:197988:224587,CC1CCN(Cc2ccc(-c3cccc4c3CCCC4N3CCC(C)CC3)cc2F)CC1,UVZZDRJEECZROK-UHFFFAOYSA-N
rxn:4:197988:224593,CC1CCN(Cc2cc(-c3cccc4c3CCCC4N3CCC(C)CC3)ccc2F)CC1,NDMXEGPUKQXXEB-UHFFFAOYSA-N
rxn:4:199146:223696,CN1C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2S1(=O)=O,JQXAMVRHBQBNGT-UHFFFAOYSA-N
rxn:4:199290:223606,CC1(C)CCc2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)sc2C1,COYBGZLPKBLCAH-UHFFFAOYSA-N
rxn:4:199472:228974,Cc1[nH]nc(C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1-c1cnn(S(C)(=O)=O)c1,IYWPVLLQSJJEAD-UHFFFAOYSA-N
rxn:4:199557:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cc12,FRJSVTCZOIOCHL-UHFFFAOYSA-N
rxn:4:199570:223581,COC(=O)c1cccc2cc(-c3cncc(OC[C@H]4CCN4C(=O)OC(C)(C)C)c3)n(C(=O)OC(C)(C)C)c12,JBPPIOTVQOJOIF-HXUWFJFHSA-N
rxn:4:199624:223835,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,OHEVFUOBBDZVMA-UHFFFAOYSA-N
rxn:4:199649:224160,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C,IYFUPGVHUBZGIF-UHFFFAOYSA-N
rxn:4:199650:223937,Cc1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,JYNXWQCINLVUBR-UHFFFAOYSA-N
rxn:4:199652:222971,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccc(NC(=O)C(C)(C)C)cc3)c2)C1,FQNVBAGBKUEUEL-UHFFFAOYSA-N
rxn:4:199685:223061,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCNCC4)ncc3F)C2)cc1,ABXZQEXUNRZIOT-UHFFFAOYSA-N
rxn:4:199709:223933,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)n2)CC1,IHCTWOIDUZBSHC-UHFFFAOYSA-N
rxn:4:199714:224356,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)CC1,YGLWHNZBSFVLQQ-UHFFFAOYSA-N
rxn:4:199726:223506,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C#N)c2F)CC1,PUKAWPPTEJCPHO-UHFFFAOYSA-N
rxn:4:199761:225975,CC(C)(C)OC(=O)N1CCN(CCc2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)CC1,OJKFQHGRNWAKQH-UHFFFAOYSA-N
rxn:4:199764:224272,COC(=O)c1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,HJOWRIQQVGVRIE-UHFFFAOYSA-N
rxn:4:199769:223382,COc1cc(Cl)c(-c2cnc(NC3CC3)nc2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WDFAJNBGNHVZRU-UHFFFAOYSA-N
rxn:4:199769:226539,CCOC(=O)c1ccc(Cl)cc1-c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Cl,MAHSJZFMTAMTRZ-UHFFFAOYSA-N
rxn:4:199770:224157,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12,JFZFMISDFJKRSN-UHFFFAOYSA-N
rxn:4:199778:223904,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc(C(F)(F)F)c2)CC1,YORFVLHEPGSHLI-UHFFFAOYSA-N
rxn:4:199778:228551,CCCc1ncccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RNJIJFUVLFPWEB-UHFFFAOYSA-N
rxn:4:199787:225758,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccncc2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],KGJAVYOIGPBXJH-UHFFFAOYSA-N
rxn:4:199790:225979,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCOCC2)c(Cl)c1,QBSYXPRKVCLXLG-UHFFFAOYSA-N
rxn:4:199809:223530,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WJXCLOWMKNRZRW-UHFFFAOYSA-N
rxn:4:199809:223931,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1,VFLDANZCVHPFJA-UHFFFAOYSA-N
rxn:4:199809:224277,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)c1,HCXHVECFWXRPBQ-UHFFFAOYSA-N
rxn:4:199809:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cccc(N(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,ZROZMEBXASWWKH-UHFFFAOYSA-N
rxn:4:199809:226273,CCN(C)C(=O)c1ccc(-c2cccc(N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,IJVSHPLRKNTTIC-UHFFFAOYSA-N
rxn:4:199810:222608,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1,XCSAFTMBGLHWTP-UHFFFAOYSA-N
rxn:4:199818:222622,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C(C)CC)nc(C2CCCNC2)c1,PPWMMLOVXGMKMM-UHFFFAOYSA-N
rxn:4:199828:228090,CCOCc1cncc(-c2cccc(Cl)c2CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1,SVSSCPXBWHJNMB-UHFFFAOYSA-N
rxn:4:199831:225269,COC(=O)c1ccc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)c(C(=O)OC)c1,NBGQDTXAFHYWOG-GOSISDBHSA-N
rxn:4:199834:224290,CC1CN(CCc2ccc(F)c(-c3ccc(Cl)cc3OCCN3CCOCC3)c2)CCN1C(=O)OC(C)(C)C,RLDMTXKOJNYFNN-UHFFFAOYSA-N
rxn:4:199846:224327,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,UXMWPTTWGOBXAO-UHFFFAOYSA-N
rxn:4:199863:224011,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,SWNOSGMVZHUMJJ-UHFFFAOYSA-N
rxn:4:199869:222985,CCCOc1ccc(-c2ccc(C3CCCNC3)nc2C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,TXCWJPORZDUAKW-UHFFFAOYSA-N
rxn:4:199870:224753,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,ZUNNHACVJFPQKA-UHFFFAOYSA-N
rxn:4:199874:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CCCN3C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c(Cl)cn1,ZDVGWDNAXSFJCU-UHFFFAOYSA-N
rxn:4:199874:226803,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cnn(-c4ccnc(Cl)c4)c3)cc2)C1,VQFDPNCIZGVKMY-UHFFFAOYSA-N
rxn:4:199908:224718,CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCOCC4)nc3)cc1)SCC2,XBVGYUKCXQJJNB-UHFFFAOYSA-N
rxn:4:200001:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3C4CCC3CC(Oc3ccncc3)C4)c(F)c2)CC1,RDEMNKFXWHWMSK-UHFFFAOYSA-N
rxn:4:200008:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)c2)CC1,HCAZXPCXENEGGR-UHFFFAOYSA-N
rxn:4:200008:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)ccc21,PMGFSPOVZSCQNJ-UHFFFAOYSA-N
rxn:4:200232:224011,CN1CCN(S(=O)(=O)c2ccc(-c3nc(Cl)cn3COCC[Si](C)(C)C)cc2F)CC1,APTQYZAMPIBXLL-UHFFFAOYSA-N
rxn:4:200340:224738,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)CC2)c(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c1,BLSRESIWEQFVMY-UHFFFAOYSA-N
rxn:4:200368:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C#N)cc2C1,ZYBMXVVHAIYVKL-UHFFFAOYSA-N
rxn:4:200369:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cc(C#N)ccc1C1CN(C(=O)OC(C)(C)C)C1,RCJQILHNGUEXCU-UHFFFAOYSA-N
rxn:4:200371:223935,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)C1,XVUSZPTVXPRKQZ-UHFFFAOYSA-N
rxn:4:200372:228296,CCOC(=O)c1occc1-c1ccccc1CCC(=O)N1CC(N2C(=O)CSC2=O)C1,ORLMVRWXBRSJJX-UHFFFAOYSA-N
rxn:4:200441:225984,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnc(Cl)c(N2CCOCC2)c1,POXPYFBNHAUFOG-UHFFFAOYSA-N
rxn:4:200477:224274,COc1ncc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,PBCCNJNHGAPJHN-UHFFFAOYSA-N
rxn:4:200481:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccnc3O[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,KRAVIEIQCAYQDP-QFIPXVFZSA-N
rxn:4:200557:225978,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)cc2)CC1,RZOIEFKAXLJNBU-UHFFFAOYSA-N
rxn:4:200559:223660,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)co2)CC1,ZJSUTXWWDDGHDE-UHFFFAOYSA-N
rxn:4:200595:225294,CCN1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,JSUYELMZJDRXCU-UHFFFAOYSA-N
rxn:4:200600:222827,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(F)c(S(=O)(=O)NC2CC2)cc1F,TXMLXXYVFSRUIG-UHFFFAOYSA-N
rxn:4:200602:226089,CCN(CC)Cc1ccccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc1,WRXAEEWPKDTZRX-UHFFFAOYSA-N
rxn:4:200610:223595,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1,YCFHCXYPDKYLPN-UHFFFAOYSA-N
rxn:4:200610:226715,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnn(C(=O)OC(C)(C)C)c3)cc2F)CC1,ITSZKPVJXDZYNQ-UHFFFAOYSA-N
rxn:4:200625:223527,CC(C)CSc1ncc(-c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1-c1ccc(F)cc1,IVHALHBXXSOCAC-UHFFFAOYSA-N
rxn:4:200643:224278,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)nc2)CC1,KSHXYXFKIKCRMF-UHFFFAOYSA-N
rxn:4:200654:224270,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)c2)C1,RVGMDNNOWGJSEN-UHFFFAOYSA-N
rxn:4:200655:226021,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2C#N)CC1,NPOBDTDCIDHLDD-UHFFFAOYSA-N
rxn:4:200658:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,OKUJNNQTWNMHLE-UHFFFAOYSA-N
rxn:4:200702:223602,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2)CC1,LPEAQMGARWXVLB-UHFFFAOYSA-N
rxn:4:200702:223938,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)CC1,HKXAVMNAXGQXHM-UHFFFAOYSA-N
rxn:4:200703:222596,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)ccc2Cl)CC1,GSYSOTDZXSUJNN-UHFFFAOYSA-N
rxn:4:200704:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(F)c2)CC1,JBUFJXMGHCCPMQ-UHFFFAOYSA-N
rxn:4:200705:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(F)c2)CC1,DVLSTFWKCCLZAZ-UHFFFAOYSA-N
rxn:4:200706:223649,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,RZJSAZSTUVOMQC-UHFFFAOYSA-N
rxn:4:200706:225294,CCN1CCN(c2ncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,PUYVOWUALMLCMM-UHFFFAOYSA-N
rxn:4:200707:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,RTSXTLPRODJRNX-UHFFFAOYSA-N
rxn:4:200708:223527,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,NKYUGNLYZNXLPD-UHFFFAOYSA-N
rxn:4:200708:223595,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(F)c2)CC1,CSFQGXGZBXNSBC-UHFFFAOYSA-N
rxn:4:200709:223975,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)ccc2F)CC1,HALCAHVPGQYTCO-UHFFFAOYSA-N
rxn:4:200709:226715,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2F)CC1,PVVIUMCDXQZHQY-UHFFFAOYSA-N
rxn:4:200713:224323,Cc1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc(C)c1S(=O)(=O)N1CCCC1,CGKARJVULWASGO-UHFFFAOYSA-N
rxn:4:200720:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2C)CC1,YRBOTNGEFZSKRX-UHFFFAOYSA-N
rxn:4:200724:225534,CCN(CC)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1Cl,KWBKSCHUIVTUBV-UHFFFAOYSA-N
rxn:4:200727:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2F)cc1,JZNBXPNKXMYVSE-UHFFFAOYSA-N
rxn:4:200730:222886,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCNCC4)cc3C#N)c2C(F)(F)F)CC1,WKJNHYSURLRRMG-UHFFFAOYSA-N
rxn:4:200734:225978,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3F)c(F)c2)CC1,CNZFYECJOGOLBL-UHFFFAOYSA-N
rxn:4:200734:228214,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)c(F)c2)CC1,NXFJDDLRAXLSOZ-UHFFFAOYSA-N
rxn:4:200736:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C(F)(F)F)cn2)CC1,BUNOHAVCBVKSEO-UHFFFAOYSA-N
rxn:4:200749:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)ON=C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)c2)CC1,VZJCWAQUKNFWRK-UHFFFAOYSA-N
rxn:4:200760:223683,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)nc1,QSUGPMRFCGSNBK-UHFFFAOYSA-N
rxn:4:200760:225901,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cn(C(=O)OC(C)(C)C)nc1C,CEWYXJFKQUGIOR-UHFFFAOYSA-N
rxn:4:200763:225343,COc1ncc(-c2cc(C(F)(F)F)cnc2SC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1,DVJCPYKSUOJPFW-UHFFFAOYSA-N
rxn:4:200766:223835,Cc1cc(OCC2CCN(C(=O)c3cccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)c3)CC2)ccn1,ZRSXIRVFTWGYOB-UHFFFAOYSA-N
rxn:4:200772:223881,Cc1ccc2cc(-c3ccc(C(=O)N4CCC(COc5ccncc5C)CC4)c(F)c3)n(C(=O)OC(C)(C)C)c2c1,DKVHIUGWBPHMII-UHFFFAOYSA-N
rxn:4:200773:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(C3=NN(S(C)(=O)=O)C(c4cc(OC)ccc4OC)C3)cc2)c1,AEWLYQKKDWHGET-UHFFFAOYSA-N
rxn:4:200776:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)c2)CC1,ABFZRYPLEIDBBN-UHFFFAOYSA-N
rxn:4:200781:223788,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,PTBDRQKQWZQIFB-UHFFFAOYSA-N
rxn:4:200797:223699,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,MLUBHJGDBVDHLX-UHFFFAOYSA-N
rxn:4:200799:228489,O=C(CCc1ccccc1-c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2C(=O)COCC2=O)CC1,ZHYSZGIWKCVMPM-UHFFFAOYSA-N
rxn:4:200814:223761,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,DZQNXYCDJOPPES-UHFFFAOYSA-N
rxn:4:200817:222893,CCOC(=O)c1n[nH]c2cc(-c3ccccc3C(C)N3CCN(C(=O)OC(C)(C)C)CC3)ccc12,CUPIAMFARZLETR-UHFFFAOYSA-N
rxn:4:200817:227584,COc1cc(-c2ccccc2C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1Cl,GIOISBQWNGYJQI-UHFFFAOYSA-N
rxn:4:200818:223596,C[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,XSRYZJOSDNLVKK-QFIPXVFZSA-N
rxn:4:200821:223683,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,HXPDUMVILQZCNB-UHFFFAOYSA-N
rxn:4:200822:223790,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)CC1,SYLICWZBUGVYMB-UHFFFAOYSA-N
rxn:4:200822:227765,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccn(CCC(F)(F)F)n3)c2)CC1,LFSFWNMCWNOCAD-UHFFFAOYSA-N
rxn:4:200825:225296,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,OJYVKQPJRGJJLB-UHFFFAOYSA-N
rxn:4:200826:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,RCFBIDQVFHDABI-UHFFFAOYSA-N
rxn:4:200826:225218,Cc1cc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,GFMVTEDDHDJMPS-UHFFFAOYSA-N
rxn:4:200839:224356,COc1c(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,DBAMXCAJMHWDDE-UHFFFAOYSA-N
rxn:4:200857:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)ccc2C)c(Cl)c1,CXHVGYNAYBAHMB-OAQYLSRUSA-N
rxn:4:200871:225578,CCc1ccc(-n2cc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cn2)cc1,HGUHJNSKLJKCNI-UHFFFAOYSA-N
rxn:4:200882:224276,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c1)C2,VASYKMHZRUYFIL-UHFFFAOYSA-N
rxn:4:200883:223904,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cccc(C3CN(C(=O)OC(C)(C)C)C3)c1)C2,ZCQMAYXYNLIXRK-UHFFFAOYSA-N
rxn:4:200887:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccccc3OC)C2)cc1,RLXGVHDSSJGEHQ-UHFFFAOYSA-N
rxn:4:200887:224760,COc1ccccc1C1CC(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,DPIPEFKAWHCRMY-UHFFFAOYSA-N
rxn:4:200895:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2CCCCC2CCN2CCCCCC2)cc1,RBIYXBBNGAUDHX-UHFFFAOYSA-N
rxn:4:200895:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cc2)CC1,UONULOAAGWSOPJ-UHFFFAOYSA-N
rxn:4:200903:227438,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C4CCOC4)c3)cc2C(C)C)CC1,LUKCTMXVOGYJMU-UHFFFAOYSA-N
rxn:4:201134:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)c(Cl)c2)CC1,GNCIMSODBGAGGW-UHFFFAOYSA-N
rxn:4:201134:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)s2)CC1,WCOSTLOAHDCXCC-UHFFFAOYSA-N
rxn:4:201144:226511,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cc(Cl)cnc4OCC4CC4)cc32)CC1,UQLDQQBKPJINIH-UHFFFAOYSA-N
rxn:4:201150:223687,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)ccc3C2)CC1,DXMUSKMMZVOGCB-UHFFFAOYSA-N
rxn:4:201538:223597,COc1cc(-c2nnc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)o2)cc(OC)c1OC,SPNZWUXSNUWTGV-UHFFFAOYSA-N
rxn:4:201645:223581,COC(=O)c1cccc2cc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)cs3)n(C(=O)OC(C)(C)C)c12,RTARHEMUNSSNBE-UHFFFAOYSA-N
rxn:4:201694:222584,CCOC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,SJANPGJYIZUDOV-UHFFFAOYSA-N
rxn:4:201730:223490,Cc1ccc(-c2c(C3CC3)nn(C(=O)OC(C)(C)C)c2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZHIHXXSWYKHYNU-UHFFFAOYSA-N
rxn:4:201730:223748,Cc1c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(C2CC2)nn1C(=O)OC(C)(C)C,UPTAQAGJFKRWOH-UHFFFAOYSA-N
rxn:4:201765:226567,COC(=O)C(=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1,RJMNXFXKACMUBI-UHFFFAOYSA-N
rxn:4:201774:223937,CC(C)(C)OC(=O)N1CCC[C@H]1c1csc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)n1,JMTBRUOHFKJYDP-SFHVURJKSA-N
rxn:4:201775:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cs2)CC1,UDVOITPBYLJMNX-UHFFFAOYSA-N
rxn:4:201817:225657,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(N2CCOCC2)c(C)c1,IDCOLMCAWLDQBY-UHFFFAOYSA-N
rxn:4:201897:225926,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1)N1CCN(C(=O)C2CC2)CC1,VGNHCPBUQIJYHR-UHFFFAOYSA-N
rxn:4:201923:223885,CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n2)CC1,VOJGRCQIUSGEKB-UHFFFAOYSA-N
rxn:4:201928:223492,Cc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UQLUFRUOIZQNDU-UHFFFAOYSA-N
rxn:4:201945:225992,CC(C)Cn1cc(-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)c(C(F)(F)F)n1,JAWSRWAHAKXOCM-GOSISDBHSA-N
rxn:4:201953:224589,COC(=O)c1cc(-c2ccc(F)cc2CN2CCC(C)CC2)ccc1CN1CCN(C)CC1,JEEBKMLMNPORKC-UHFFFAOYSA-N
rxn:4:201962:223993,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c1,QYQWMAVZPVEBHE-UHFFFAOYSA-N
rxn:4:201995:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccnc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,HUGLZJBPANRBNM-UHFFFAOYSA-N
rxn:4:201995:225829,CC1CCN(c2ncc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cn2)CC1,BIKKMXVOZMAOCH-UHFFFAOYSA-N
rxn:4:201996:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccn1,CUEZGPLAEJKLFI-UHFFFAOYSA-N
rxn:4:202000:225975,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2ccnc(N3CCOCC3)c2Cl)nc1,UNXFTVAEGQZDBI-UHFFFAOYSA-N
rxn:4:202000:225979,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cnc(N3CCOCC3)c(Cl)c2)nc1,GLBSWGNDHRTXMC-UHFFFAOYSA-N
rxn:4:202001:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cc2F)CC1,XGTJEXZQGVKWCP-UHFFFAOYSA-N
rxn:4:202001:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cc2)CC1,PMPKHROKFROCFR-UHFFFAOYSA-N
rxn:4:202001:223810,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,NLLCPFDIPQOBRO-UHFFFAOYSA-N
rxn:4:202002:223999,CCN1CCN(S(=O)(=O)c2cc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)ccc2OC)CC1,UIUUHIFQCUQTQG-UHFFFAOYSA-N
rxn:4:202011:225975,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,GSTNBKPIAOMOKV-UHFFFAOYSA-N
rxn:4:202011:225976,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccnc(N4CCOCC4)c3F)cn2)C1,MJCMDKYJTVTQBL-UHFFFAOYSA-N
rxn:4:202017:223847,CCCCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(C)CC4)c(OC)c3)cc2)CC1,BVHVRZWMYDTRRY-UHFFFAOYSA-N
rxn:4:202019:223847,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,CLVKRUPKAWPWTH-UHFFFAOYSA-N
rxn:4:202072:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)c3)cc2Cl)CC1,XEWRGVSKNZTFDR-UHFFFAOYSA-N
rxn:4:202075:223480,Cc1cc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)C3=O)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZTHHZWVBACQQHA-UHFFFAOYSA-N
rxn:4:202083:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4Cl)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,KTGGKOBILGOAIR-UHFFFAOYSA-N
rxn:4:202086:224327,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)C2)ccc1F,RLYPPXAQWAIFJL-UHFFFAOYSA-N
rxn:4:202097:223595,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2)CC1,VTLUPJASBPEKDO-UHFFFAOYSA-N
rxn:4:202097:225218,CC1CCCN(c2ncc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2Cl)C1,VYYDWWWALSZYFP-UHFFFAOYSA-N
rxn:4:202101:223670,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cs1,KBSJCBXBHIOVAF-UHFFFAOYSA-N
rxn:4:202107:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc2C1,ACIIFQZIDMZRNZ-UHFFFAOYSA-N
rxn:4:202108:223574,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,CZXNWLHCXBOGSN-UHFFFAOYSA-N
rxn:4:202116:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c(F)cn2)CC1,XKXAFDBBBUZCQV-UHFFFAOYSA-N
rxn:4:202127:225227,CC1CCN(c2ncc(-c3cnccc3C3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,DPRNTCDRFIDNTA-UHFFFAOYSA-N
rxn:4:202161:222396,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,GQPMRNLNRPSKDM-UHFFFAOYSA-N
rxn:4:202161:224552,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(F)cc(COC2CCCCC2)c1,LKTAZPVVJQCCHA-UHFFFAOYSA-N
rxn:4:202161:224753,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1C,HYUCKVBHWUNZCH-UHFFFAOYSA-N
rxn:4:202170:224393,O=C(C1CN(Cc2ccccc2-c2cc(C(F)(F)F)ccc2N2CCOCC2)CCO1)N1CCCC1,KSCIPRWRAOXOEJ-UHFFFAOYSA-N
rxn:4:202175:228490,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)F)c2)cc1)N1CCOCC1,WWPFXZKAHYECLU-UHFFFAOYSA-N
rxn:4:202207:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc(C2CCCNC2)n1,UILGVMCZQAPZOD-UHFFFAOYSA-N
rxn:4:202207:224391,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)cc2)CC1,GWGYYJYVFKWIGI-UHFFFAOYSA-N
rxn:4:202209:222721,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,QFNGAWHQFXDTHX-UHFFFAOYSA-N
rxn:4:202225:223505,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,PMLASOVBMGBQQC-UHFFFAOYSA-N
rxn:4:202226:223573,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,VMZXZLMOBOCTSF-UHFFFAOYSA-N
rxn:4:202233:223505,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C(=O)OC(C)(C)C)n2)C1,HUNNNXOSZWBBQG-UHFFFAOYSA-N
rxn:4:202234:223527,Cc1c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,NHXCIFIXQPVULM-UHFFFAOYSA-N
rxn:4:202237:224665,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)cn1,XFOJIYYDIGUYDI-UHFFFAOYSA-N
rxn:4:202239:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)c3)cc2)CC1,GGJAMWHWWVHBMR-UNWRIRMBSA-N
rxn:4:202243:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4ccccc4CN4CCN(C)CC4)c3)cc2)CC1,ADPUUNPBPLWLPZ-QVYRIUEQSA-N
rxn:4:202284:223010,COc1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1CN1CCC(N2CCCC2)CC1,DIWPMXFHYCNRNH-UHFFFAOYSA-N
rxn:4:202285:224664,COC1CCN(Cc2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2N2CCCC2)CC1,BQEKUMGUZJAGHW-UHFFFAOYSA-N
rxn:4:202285:224932,COc1ccc(CN(C)C(C)C)cc1-c1ccc(CN2CCC(OC)CC2)c(N2CCCC2)c1,MMDSKHDAFOVRET-UHFFFAOYSA-N
rxn:4:202285:226279,COC1CCN(Cc2ccc(-c3cc(C)cnc3OCC(C)C)cc2N2CCCC2)CC1,SPHJYEPARZWPTI-UHFFFAOYSA-N
rxn:4:202306:222434,CCN1CCN(Cc2cc(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)cc3)cc(C(C)(C)C)c2)CC1,BLMVQGYPXRNGFZ-UHFFFAOYSA-N
rxn:4:202306:222741,CCN1CCN(Cc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc(C(C)(C)C)c2)CC1,KTWWRZLSGPNEJK-UHFFFAOYSA-N
rxn:4:202306:224846,CCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,OWDSPKJURAABTQ-UHFFFAOYSA-N
rxn:4:202306:224867,CCN1CCN(Cc2cc(-c3ccc(OCC4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,AGONSLKQLQEGIW-UHFFFAOYSA-N
rxn:4:202318:222622,CCC(C)c1cc(-c2ccc(-c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)cc2)cc(C2CCCNC2)n1,DZSDDMLDVGWREZ-UHFFFAOYSA-N
rxn:4:202320:223010,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(C4(O)CCOCC4)cc3)c2)CC1,ZZLURRXSZYNMRL-UHFFFAOYSA-N
rxn:4:202320:226126,COCc1cc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1C1CC1,PQJKUAWXEZYWDW-UHFFFAOYSA-N
rxn:4:202327:222803,CN(Cc1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1N1CCOCC1)C1CCCCC1,HUVUVUKLGOMNBP-UHFFFAOYSA-N
rxn:4:202327:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN(C)C2CCCCC2)c(N2CCOCC2)c1,ZONZWJKVIYXTKU-UHFFFAOYSA-N
rxn:4:202327:226780,COc1c(F)cc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)c(OC)c1Cl,FMKJHQALQRDUMX-UHFFFAOYSA-N
rxn:4:202330:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(c5cccc(C)c5C)CC4)c3)c2)CC1,VHRNUJAEVPFQHI-UHFFFAOYSA-N
rxn:4:202341:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,FESZUGPTUYAVHX-DUYHBEBVSA-N
rxn:4:202341:225407,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCCCC4)cc3)cc(C(C)(C)C)c2)CC1,ZCLDCNWBEUOEKZ-UHFFFAOYSA-N
rxn:4:202461:223743,Cc1ccc(-c2ccc3c(c2)c(C(F)(F)F)nn3C(=O)OC(C)(C)C)cc1OCCCN1CCC(C)CC1,OPWDCOCHKJLNOZ-UHFFFAOYSA-N
rxn:4:202518:225367,CC(C)[C@H]1c2nc(-c3cnc(N4CCC(F)(F)CC4)nc3)sc2CN1C(=O)OC(C)(C)C,WPTQSWMQAJQZOZ-KRWDZBQOSA-N
rxn:4:202564:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)C(=O)N(C1CN(C(=O)OC(C)(C)C)C1)C2=O,RTHQLHLELDYZCI-UHFFFAOYSA-N
rxn:4:202656:225898,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,PQQJAQVDQMWAEF-UHFFFAOYSA-N
rxn:4:202689:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4c(c3)CN(C3CCC(=O)N(C(=O)OC(C)(C)C)C3=O)C4=O)cc(C(F)(F)F)c2)CC1,MAOPGWXGWVYXBK-UHFFFAOYSA-N
rxn:4:202706:223699,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)c(C(F)(F)F)c1)N1CCOCC1,KAOWLMBESSUERD-UHFFFAOYSA-N
rxn:4:202712:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)C1,MZOAXSVRCGUQRN-JKGBFCRXSA-N
rxn:4:202712:224278,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)ccc3C2=O)C1,WYNQDZHKJHPGTE-QHCPKHFHSA-N
rxn:4:202712:226541,COC(=O)c1ccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)cc1OC,RBQOUEOAGPBOLO-FQEVSTJZSA-N
rxn:4:202713:223526,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3C2=O)CC1,YVJVUCIVNCBYSN-UHFFFAOYSA-N
rxn:4:202726:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)C,LSMVPJWJSQEKMP-UHFFFAOYSA-N
rxn:4:203066:223506,Cn1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OCC(C)(F)F)n1,CBGNBKBJRCAUTD-UHFFFAOYSA-N
rxn:4:203222:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)nc2)cc1)C1CCCCC1,VGSPKPASRVIULJ-UHFFFAOYSA-N
rxn:4:203531:223696,CSC1=NCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,MMEHGETXWHDBQC-UHFFFAOYSA-N
rxn:4:203567:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1C1CCCCO1,DBLLPFXSULFZPV-UHFFFAOYSA-N
rxn:4:203651:224997,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1)N1CCCCC1,ULDPAGZTNBZHSV-UHFFFAOYSA-N
rxn:4:203696:225877,O=C(c1ccccc1-c1ccc(Cl)cc1N1CCOCC1)N1CC(N2C(=O)CSC2=O)C1,ADTOMBHLPDJRGM-UHFFFAOYSA-N
rxn:4:203708:222807,O=C(NC1CC1)c1cc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc([N+](=O)[O-])c1,CAJGXUYDCFFWEX-UHFFFAOYSA-N
rxn:4:203708:223043,O=C(NC1CC1)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1Cl,SASKXBVLXRLFOL-UHFFFAOYSA-N
rxn:4:203709:225163,O=C(c1ccc(-c2ccccc2C(=O)N2CCOCC2)o1)N1CCC(N2C(=O)COC2=O)C1,PLLBTKWCDIANFM-UHFFFAOYSA-N
rxn:4:203718:223699,CCCc1nc(N2CCCCC2)sc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,XCSKCLCIORCYPO-UHFFFAOYSA-N
rxn:4:203757:222719,O=S(=O)(c1cncc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c1)N1CCC(C(F)(F)F)CC1,DHUSDZUMVAPYSV-UHFFFAOYSA-N
rxn:4:203821:223489,CN1CCN(C(=O)Cc2cc(F)ccc2-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)CC1,DLLSIDANUIEEOK-UHFFFAOYSA-N
rxn:4:203833:228296,CCOC(=O)c1occc1-c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)o1,BCNIDFYPKPGEGR-UHFFFAOYSA-N
rxn:4:203884:223841,Cc1cc(F)c(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,PDBQUIAXXKTJTB-UHFFFAOYSA-N
rxn:4:203953:224022,CC(C)C(=O)N1CCN(c2ccccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,KDKWPUOZYVJYEL-UHFFFAOYSA-N
rxn:4:203985:227587,COc1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc(F)c1OC,DQDJHSOSCCPOPR-UHFFFAOYSA-N
rxn:4:203986:227710,CS(=O)(=O)Oc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)cc1,AXCKZNGYCCEHDN-UHFFFAOYSA-N
rxn:4:203987:224658,CC(=O)N1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)cc2)CC1,BDCRYBKZXHQJEB-UHFFFAOYSA-N
rxn:4:203987:227686,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1[N+](=O)[O-],KNLIABJLRPQZDV-UHFFFAOYSA-N
rxn:4:204012:222730,CCCc1cc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)cc(C2CCNCC2)n1,RZOJWRPRMJCZKR-UHFFFAOYSA-N
rxn:4:204014:223830,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,KNRPEGHHXNVXPT-UHFFFAOYSA-N
rxn:4:204066:224846,CCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,RWVRCOTXNCAPNK-UHFFFAOYSA-N
rxn:4:204069:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)c(C)c3)c(F)c2)CC1,PXWAPLCDBHLRBW-UHFFFAOYSA-N
rxn:4:204082:224750,O=C(c1cccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,JGDMIJVZXABTLG-UHFFFAOYSA-N
rxn:4:204082:226452,O=C(c1cccc(-c2ccc(C3OCCCO3)cc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,OKCGNELMRQACMU-UHFFFAOYSA-N
rxn:4:204082:228969,O=C(c1cccc(-c2cscc2C(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1,SSPZDUWGDGNZNX-UHFFFAOYSA-N
rxn:4:204094:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,GFYMWDAFTNPODS-FBSWEULCSA-N
rxn:4:204099:225711,COC(COc1ccc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)cc1)OC,IXEIXVPJYLVQLS-UHFFFAOYSA-N
rxn:4:204099:225714,CCOCCOc1ccc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)cc1Cl,YFMLRQLTFBIFCQ-UHFFFAOYSA-N
rxn:4:204099:225718,COC(COc1cccc(-c2ccc(CN3CCOCC3)c(N3CCOCC3)c2)c1)OC,IKTRIUTZCKFKEQ-UHFFFAOYSA-N
rxn:4:204101:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2)CC1,YKKOFCWVPFCHOK-DIVCQZSQSA-N
rxn:4:204109:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,QZMKUHYCNYNBLV-AFARHQOCSA-N
rxn:4:204109:223265,CC(=O)Nc1ccc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,ASKYCINFBLKATK-UHFFFAOYSA-N
rxn:4:204109:224103,O=C(OCc1ccccc1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,OFEFBTGCNRFUMW-UHFFFAOYSA-N
rxn:4:204109:224763,O=C(c1ccc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1)N1CCOCC1,DEGVHMWPLWZQOJ-UHFFFAOYSA-N
rxn:4:204109:225830,Cc1nc(N2CCCCC2)ncc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,NFSYQTSTWABMPM-UHFFFAOYSA-N
rxn:4:204109:226579,CN(C)C(=O)c1cc(F)cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,GRLDLTUAWSDFCU-UHFFFAOYSA-N
rxn:4:204109:227311,CCC(C)c1cc(F)c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cn1,WQMNLPKTLSDRNI-UHFFFAOYSA-N
rxn:4:204109:227694,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(Cl)n1,VQFPKTSJXRUYBK-UHFFFAOYSA-N
rxn:4:204109:227823,CC(C)(C)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,WMQHQVZQYJZALP-UHFFFAOYSA-N
rxn:4:204109:227912,COC(C)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,YMCHJTBEVDNHHT-UHFFFAOYSA-N
rxn:4:204109:228321,COC(=O)c1cncc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,JZCXCJZBLCMHST-UHFFFAOYSA-N
rxn:4:204109:228374,Cc1cc([N+](=O)[O-])ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,XGBZQOJIJUQGHP-UHFFFAOYSA-N
rxn:4:204109:228846,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(F)c1F,YILZGZACNRBPRU-UHFFFAOYSA-N
rxn:4:204125:224819,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)CC2)cc1Cl,NXYXGSKLFUJSHL-UHFFFAOYSA-N
rxn:4:204132:225715,COCCOCc1cc(-c2ccc(CN3CCCCC3)c(N3CCOCC3)c2)ccc1F,JYOXWTCTTSJCFW-UHFFFAOYSA-N
rxn:4:204132:225716,COCCOCc1cc(F)ccc1-c1ccc(CN2CCCCC2)c(N2CCOCC2)c1,QYUWQGAWMVABIX-UHFFFAOYSA-N
rxn:4:204132:225717,COCCOCc1ccc(F)cc1-c1ccc(CN2CCCCC2)c(N2CCOCC2)c1,GVRHRIONDYNMLU-UHFFFAOYSA-N
rxn:4:204133:225715,COCCOCc1cc(-c2ccc(CN3CCOCC3)c(N3CCCCC3)c2)ccc1F,CWXSDSJAHHPHLJ-UHFFFAOYSA-N
rxn:4:204133:225716,COCCOCc1cc(F)ccc1-c1ccc(CN2CCOCC2)c(N2CCCCC2)c1,AOWRBKOYVRYFNI-UHFFFAOYSA-N
rxn:4:204133:225717,COCCOCc1ccc(F)cc1-c1ccc(CN2CCOCC2)c(N2CCCCC2)c1,IFXKGKMFHNOKMA-UHFFFAOYSA-N
rxn:4:204134:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,WTBHIDPZDCUOKF-UHFFFAOYSA-N
rxn:4:204140:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,PSYQDULYPAUDEI-UHFFFAOYSA-N
rxn:4:204140:224969,Cc1cc(-c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)ccc1C(=O)OC(C)(C)C,VWAMKOQNWYCOEU-UHFFFAOYSA-N
rxn:4:204142:225716,COCCOCc1cc(F)ccc1-c1ccc(CN2CCOC(C)C2)c(N2CCOCC2)c1,LGGJEZYDDPOQRZ-UHFFFAOYSA-N
rxn:4:204166:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,GEJAIBGDLCYIHE-UHFFFAOYSA-N
rxn:4:204179:222719,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3C)CC2)cc1C,BRYYIIXSIQQLEA-UHFFFAOYSA-N
rxn:4:204183:223061,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3cc(C4CCNCC4)ncc3F)CC2)c(C)c1,NJTYAMWPLGKVGE-UHFFFAOYSA-N
rxn:4:204186:222957,Cc1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)cc(C2CCCNC2)c1,DASDRTWGNPYTJS-UHFFFAOYSA-N
rxn:4:204352:223699,CCOC(=O)c1nn2c(c1-c1ccc(S(=O)(=O)N3CCOCC3)cc1C(F)(F)F)OCCC2,OXUJAKRPCOZYKF-UHFFFAOYSA-N
rxn:4:204458:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4ncn(C(=O)OC(C)(C)C)c4c3)cc2)CC1,YGGUFJHRQUMSSH-UHFFFAOYSA-N
rxn:4:204514:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1,RYGTWKCZJPFKNP-UHFFFAOYSA-N
rxn:4:204528:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1N1C(=O)C2CSC(C(=O)OC)N2C1=S,BOYOKWZVLNSIKF-UHFFFAOYSA-N
rxn:4:204603:223637,CC(C)(C)OC(=O)N1CCc2c(cncc2-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)C1,GHMOQMZDAODHAI-UHFFFAOYSA-N
rxn:4:204605:224806,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(S(=O)(=O)N(C)C4CC4)cc3F)cc21,NPWRPTNJXSXVLM-UHFFFAOYSA-N
rxn:4:204606:225898,CC(C)(C)OC(=O)N1CCc2cc(-c3cnn(CCN4CCOCC4)c3)c(Cl)nc2C1,GSLGUTLWVMWOGH-UHFFFAOYSA-N
rxn:4:204644:222584,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2C1,UEVNANMSBOTMQH-UHFFFAOYSA-N
rxn:4:204644:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2F)CC1,HUXRUXKNWMMSCC-UHFFFAOYSA-N
rxn:4:204751:224974,CN1CCN(Cc2ccccc2-c2cccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)c2)CC1,JUAWVQPWUHGVTA-UHFFFAOYSA-N
rxn:4:204768:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)c2)C1,KHTMXVKTRJJYPU-UHFFFAOYSA-N
rxn:4:204780:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,NMHUNTBUZDCOTQ-UHFFFAOYSA-N
rxn:4:204780:226437,O=S(=O)(c1ccc(-c2cc(C3CCCC3)ncc2F)cc1)N1CC(N2CC3CCCC3C2)C1,UADXJCFFEWAPKG-UHFFFAOYSA-N
rxn:4:204943:223671,COc1cccc(C2c3c(oc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,IBHUUWZOZJGNBP-UHFFFAOYSA-N
rxn:4:205134:223695,O=[N+]([O-])c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cnc1C(F)(F)F,NYOKZMNEOJYYQR-UHFFFAOYSA-N
rxn:4:206168:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cncc(OC4CCOCC4)n3)c2)CC1,JCBKGFNCAAIGKZ-UHFFFAOYSA-N
rxn:4:206322:223659,CCc1nc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCOC1,OWVPRPFSNJKHHD-UHFFFAOYSA-N
rxn:4:206414:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnccc3C(=O)N3CCOCC3)ccn2)CC1,YYNPOGOYHNAROI-UHFFFAOYSA-N
rxn:4:206491:223659,COc1ncc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCOCC1,WZWCTXPMCABIEL-UHFFFAOYSA-N
rxn:4:206544:222622,CCC(C)c1cc(-c2cnc(N3CCOCC3)cc2C(F)(F)F)cc(C2CCCNC2)n1,QKLALFZUXCZWMF-UHFFFAOYSA-N
rxn:4:206793:222719,NS(=O)(=O)c1ccc(N2CCOCC2)c(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c1,SNADGMXJOFZKDR-UHFFFAOYSA-N
rxn:4:206833:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1sc(C2CCN(C(C)=O)CC2)nc1C,NCUCPIUZMSVXOD-UHFFFAOYSA-N
rxn:4:206863:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,BJTDWGUGGUWJRF-HZCBDIJESA-N
rxn:4:206896:223844,CC(C)c1nc(N2CCCCC2)sc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,GPDPKMIVJDPGOB-UHFFFAOYSA-N
rxn:4:206941:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4N=C(C(C)(C)C)CC4=O)cc3)cc2F)CC1,JVCSRORXLMCNSX-UHFFFAOYSA-N
rxn:4:206958:224376,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cn2)CC1,KKUIXSLJLOIKHB-UHFFFAOYSA-N
rxn:4:206959:223696,CS(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c2)CC1,VMGUBGNYSXOYAX-UHFFFAOYSA-N
rxn:4:207049:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCN(C)CC4)c3)cc2)CC1,QMLKSAMFHVYIMU-UHFFFAOYSA-N
rxn:4:207311:223792,COC(=O)c1c(-c2ccc(C(=O)N3CCC(C(=O)OC)CC3)cc2)nc2n1CCOC2,LYMYUFVEKKSLBT-UHFFFAOYSA-N
rxn:4:207779:222847,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc(C2CCCNC2)c1,RAKHICIFECWFSZ-UHFFFAOYSA-N
rxn:4:207796:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1,WUWJEANPOLNCKO-UHFFFAOYSA-N
rxn:4:207946:223136,COc1cc(-c2ccncc2C2CCCNC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DGZWZPFUIDUBCV-UHFFFAOYSA-N
rxn:4:207946:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cc(OC)c2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,JLSOBRWDVWZNCA-UHFFFAOYSA-N
rxn:4:207946:224874,COc1cc(-c2cccc(COC3CCCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KXDJOXGSYIUDEX-UHFFFAOYSA-N
rxn:4:207946:224962,COc1cc(-c2ccccc2COC2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,LXZNCJRDZZDVRU-UHFFFAOYSA-N
rxn:4:207946:225408,COc1cc(-c2cc3c4c(c2)CCCN4CCC3)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,OCTZJLQTFOKXRH-UHFFFAOYSA-N
rxn:4:207946:225711,COc1cc(-c2ccc(OCC(OC)OC)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DXSUIXAJSFROJJ-UHFFFAOYSA-N
rxn:4:207946:226265,COCCOc1cc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)ccc1C,MHDCIGBDDHRVEK-UHFFFAOYSA-N
rxn:4:207946:226432,COc1cc(-c2ccc(C3CCCC3)nc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ABTCEIKQMHGNLR-UHFFFAOYSA-N
rxn:4:207946:226679,COc1cc(-c2cnc(N3CCCC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FPEPXSZWBWOPJS-UHFFFAOYSA-N
rxn:4:207965:225925,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N(C)C)ccc4C)ccc2OC32CCC(C)CC2)cc1,ZITABJAGAGTDCM-UHFFFAOYSA-N
rxn:4:208462:223539,COc1ccc(-c2cc(C(F)(F)F)nc(C)n2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CRRZYAHQXHPKDG-UHFFFAOYSA-N
rxn:4:209221:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccnc(N4CCSC4)c3)c2)CC1,BSMLEIMPUPDELB-UHFFFAOYSA-N
rxn:4:209606:223699,Cc1sc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)nc1N1CCOCC1,INOIAUYRRQOQGW-UHFFFAOYSA-N
rxn:4:209613:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nccc(C4CCCOC4)n3)cc2)CC1,MFCLMGSNBNTFSU-UHFFFAOYSA-N
rxn:4:209639:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCOCC2)c(F)c1,NRLVUCHJJWRYFZ-UHFFFAOYSA-N
rxn:4:209891:223669,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(N2CCN(C)CC2)c1,NIJFNFAKSURMSH-UHFFFAOYSA-N
rxn:4:211092:223500,CN1C(=O)c2oc3ccc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3c(=O)c2C1c1ccccn1,YBQCVUABFNKPDS-UHFFFAOYSA-N
rxn:4:211097:224634,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc1CN1CCOCC1,GKZPECMCBNOSPQ-UHFFFAOYSA-N
rxn:4:211099:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCCC1)O2,XDRYDGUKIVVIQG-UHFFFAOYSA-N
rxn:4:211100:225346,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)cc1S(=O)(=O)N(C)C,OPMRXKHVOKZLIT-UHFFFAOYSA-N
rxn:4:212515:224059,COc1c(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,IPDCYSXEKZDVRC-UHFFFAOYSA-N
rxn:4:212515:225309,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cc(C2CC2)cc(C(F)(F)F)c1Cl,OQCDYWASQRJSFR-UHFFFAOYSA-N
rxn:4:212541:223521,CC(c1cccc(-c2cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NNCFYJGGNISGMK-UHFFFAOYSA-N
rxn:4:212605:223596,Cn1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WGQAKQJFQHUOFC-UHFFFAOYSA-N
rxn:4:212608:224400,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)C1,KTOQTOCVLKMCBQ-UHFFFAOYSA-N
rxn:4:212649:226496,CCN(CC)c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)cn1,JYTVOKHJWKNXNX-UHFFFAOYSA-N
rxn:4:212649:227218,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccccc3OCCCF)cn2)C1,WDQRYJBUIYIBJW-UHFFFAOYSA-N
rxn:4:212652:223532,COC(=O)c1cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PHGZGPPYLPUZPC-UHFFFAOYSA-N
rxn:4:212652:226201,COC(=O)c1cc(-c2ccc3nn(C(C)C)cc3c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RYTUSKRVIOHOTC-UHFFFAOYSA-N
rxn:4:212653:223525,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,JAPRGVCJNYKPAH-UHFFFAOYSA-N
rxn:4:212675:223573,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1[N+](=O)[O-],TWMGSIZJFZJOBY-UHFFFAOYSA-N
rxn:4:212675:223940,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-],HQWYQBWJWQSOAY-UHFFFAOYSA-N
rxn:4:212692:223574,CC1CN(C(=O)Cc2cncc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,AVLWWTQLMKJNIE-UHFFFAOYSA-N
rxn:4:212695:222847,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2cc(C#N)cc(C3CCCNC3)c2)CC1,FZHLYQMVKOQYPV-UHFFFAOYSA-N
rxn:4:212695:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3CCC(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)cc2F)CC1,PFSLKLCQCUYCQS-UHFFFAOYSA-N
rxn:4:212695:225451,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccc(SC3CCCCC3)cc2)CC1,APQBRMRWHNRAKC-UHFFFAOYSA-N
rxn:4:212710:225172,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(CN5CCOCC5)ccc4F)cc3)CC2)c1C,DPJZOUOCNKGUNQ-UHFFFAOYSA-N
rxn:4:212723:224760,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5)cc4)CC3)n2)cc1,NMAHMRLOLLQYIF-UHFFFAOYSA-N
rxn:4:212736:228452,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)ncnc4s3)cc2N2CCCC2)CC1,IRYCGNSWXLNGHD-UHFFFAOYSA-N
rxn:4:212740:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,AJFTVPHIJDFPCS-OHRWXDHWSA-N
rxn:4:212741:223636,CC1CN(Cc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,YRQIZYJYLKLXLF-UHFFFAOYSA-N
rxn:4:212743:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c1,DQQHGUNGQGGALE-UHFFFAOYSA-N
rxn:4:212743:224270,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cn(C(=O)OC(C)(C)C)c5ncccc45)cc3)CC2)CC1,FTVXZRRFLPHNOU-UHFFFAOYSA-N
rxn:4:212747:223534,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1N1CCOCC1,CDEUMFRHUHSOHS-UHFFFAOYSA-N
rxn:4:212747:223818,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cc1N1CCOCC1,WWCRJCJXHJMFHA-UHFFFAOYSA-N
rxn:4:212747:228817,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)c(=O)n1C,BGCLTUMENCPPTE-UHFFFAOYSA-N
rxn:4:212770:223528,CCOC(=O)c1nn2c(c1-c1ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,GRVIMJJSGSCDAG-UHFFFAOYSA-N
rxn:4:212770:223579,CCOC(=O)c1nn2c(c1-c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc1)CN(C(=O)OC(C)(C)C)CC2,SMJXLGVBWLTLGP-UHFFFAOYSA-N
rxn:4:212791:226382,CCOC(=O)c1nn2c(c1-c1cnc(C3CCCCC3)nc1)CN(C(=O)OC(C)(C)C)CCC2,TUYVURBFPZBIBN-UHFFFAOYSA-N
rxn:4:212791:228717,CCOC(=O)c1nn2c(c1-c1cn(C3CC3)nc1C)CN(C(=O)OC(C)(C)C)CCC2,IEDKAQUPHWKDPW-UHFFFAOYSA-N
rxn:4:212804:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)c2C1,JUARCXSVJKFQTH-UHFFFAOYSA-N
rxn:4:212822:225877,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(Cl)cc5N5CCOCC5)cc43)CC2)cc1,ZQNAPRLLDSLKQD-UHFFFAOYSA-N
rxn:4:212829:224280,CN(C(=O)c1cc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,OTWUDGRVCWGKBH-UHFFFAOYSA-N
rxn:4:212892:222634,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)cn1)C1CC1,KBHUQPRNEGGHJC-UHFFFAOYSA-N
rxn:4:212905:225899,Cc1cc(-c2ccnc(OC3CN(C(=O)OC(C)(C)C)C3)n2)n(C(=O)OC(C)(C)C)n1,HGUIIGSSROCUSV-UHFFFAOYSA-N
rxn:4:212936:224746,CC(=O)OCCN1CCN(c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)CC1,KSQHUDPLZRFQLK-UHFFFAOYSA-N
rxn:4:212939:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,USIXWOZUORHSJP-UHFFFAOYSA-N
rxn:4:212942:223650,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1,MBYZQUQJLQVHBS-UHFFFAOYSA-N
rxn:4:212959:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(-n4ccnc(SCc5cccc([N+](=O)[O-])c5)c4=O)cc3)cc2)CC1,HOBCYQOAQTXPPX-UHFFFAOYSA-N
rxn:4:212964:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2C1,ADDGFXPSZVSDLT-UHFFFAOYSA-N
rxn:4:212964:225711,COC(COc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1)OC,SGVMFUBFXBCGNH-UHFFFAOYSA-N
rxn:4:212970:224269,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cn(C(=O)OC(C)(C)C)c2cnccc12,GAKPODKBZIMDDA-UHFFFAOYSA-N
rxn:4:212973:226686,Cc1cnn(C2CCCCO2)c1-c1cccnc1OC1CCN(C(=O)CN2CCOC2=O)C1,GRAWEVCKAOOYLQ-UHFFFAOYSA-N
rxn:4:212979:223812,O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RVWWSDHDCQZQTQ-UHFFFAOYSA-N
rxn:4:212991:225294,CCN1CCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)C5CC5)CC4)nc3)cn2)CC1,QOEQRCNUTZNGTC-UHFFFAOYSA-N
rxn:4:213010:224754,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccccc3S(=O)(=O)N3CCCCC3)cn2)C1,GBBJFCIVCBGLSE-FQEVSTJZSA-N
rxn:4:213013:222584,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,NYBXHFKEXMRFPN-UHFFFAOYSA-N
rxn:4:213013:222634,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,PSQMJQLIMMCUKW-UHFFFAOYSA-N
rxn:4:213039:223880,Cc1ccc2c(c1)cc(-c1cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,ZKAGMJHPSTVTNE-UHFFFAOYSA-N
rxn:4:213039:223939,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)n2)CC1,BWCKPTAXALHJDP-UHFFFAOYSA-N
rxn:4:213041:222947,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cnc(N4CCCC(O)C4)nc3Cl)cn2)CC1,LSZPRADUBCLWMF-UHFFFAOYSA-N
rxn:4:213042:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2F)CC1,CBMZAHRTRZPMCL-UHFFFAOYSA-N
rxn:4:213042:225519,CCOC(=O)CCc1ccc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc1,JFVIMBXUASBWIX-UHFFFAOYSA-N
rxn:4:213053:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)CC1,AGZFBFMTHHGKKH-UHFFFAOYSA-N
rxn:4:213061:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ncccc5C#N)CC4)cc3)cc2C1,UQBVQZPCMVEJER-UHFFFAOYSA-N
rxn:4:213078:223532,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2C(F)F)CC1,KOANTHOINMEMLX-UHFFFAOYSA-N
rxn:4:213078:225408,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc4c5c(c3)CCCN5CCC4)c2C(F)F)CC1,MNJXCRPEHUTQBK-UHFFFAOYSA-N
rxn:4:213078:227468,CCN(CC)c1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)cn1,VSCSRJZRBKEAIV-UHFFFAOYSA-N
rxn:4:213079:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(Cl)cn1,OOLYZLYKBXFJLB-UHFFFAOYSA-N
rxn:4:213080:222948,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)CC1,FMSJPHPZWMDFEV-UHFFFAOYSA-N
rxn:4:213080:227554,COC(=O)c1c(F)cccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,WBQOJEXFWOPJSW-UHFFFAOYSA-N
rxn:4:213093:223490,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LOVCFDVBTSTNDH-UHFFFAOYSA-N
rxn:4:213095:224269,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cn(C(=O)OC(C)(C)C)c3cnccc23)CC1,XPTLIAIFTCATPZ-UHFFFAOYSA-N
rxn:4:213095:228346,COC(=O)c1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C)s1,QQACHGWAYTUMSH-UHFFFAOYSA-N
rxn:4:213100:225898,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(CCN4CCOCC4)c3)c(C(F)(F)F)n2)CC1,LYJQAFAJYYCTMR-UHFFFAOYSA-N
rxn:4:213109:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1,HXMSCACVENJWAG-UHFFFAOYSA-N
rxn:4:213127:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,UORGRIVLKAOGHQ-UHFFFAOYSA-N
rxn:4:213129:223279,COc1nc(-c2cnc(C3CCCN3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,VHWXPMYCQBLOKS-UHFFFAOYSA-N
rxn:4:213129:223591,COc1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cn1C1CCN(C(=O)OC(C)(C)C)CC1,LZHHOFBAUFDJMD-UHFFFAOYSA-N
rxn:4:213131:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,ASVQCFQLOMXYML-UHFFFAOYSA-N
rxn:4:213139:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,DBAFMZMIYFTUGN-UHFFFAOYSA-N
rxn:4:213144:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,GEJCYSRFTVKOTK-UHFFFAOYSA-N
rxn:4:213147:222612,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,SAQVLWZOGVVSRU-UHFFFAOYSA-N
rxn:4:213147:225232,CC1CCN(c2cc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,IULWZFSJOKJWOK-UHFFFAOYSA-N
rxn:4:213160:224377,COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn2)CC1,KLMPPCRTRMFWDW-UHFFFAOYSA-N
rxn:4:213191:223505,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2)CC1,ZYPJJGDQCCFKHY-UHFFFAOYSA-N
rxn:4:213217:224268,CCN1CCN(c2ncc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc2C(=O)OC(C)(C)C)CC1,TWQQHUCIWVMWGN-UHFFFAOYSA-N
rxn:4:213217:226268,CCCOc1c(SC)cccc1-c1cnc(N2CCN(CC)CC2)c(C(=O)OC(C)(C)C)c1,KKEQFCFSYZTFNS-UHFFFAOYSA-N
rxn:4:213222:222948,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)o3)CC2)n1,JOICXPZNLPMYCN-UHFFFAOYSA-N
rxn:4:213226:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cn2)C1,AALCGJZITCOROV-YNMFNDETSA-N
rxn:4:213237:223294,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)[nH]1,HQGANDPWPNBRFB-FQEVSTJZSA-N
rxn:4:213258:226675,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cnc(C2CCCC2)nc1Cl,BHUYRTPFTOWSDB-UHFFFAOYSA-N
rxn:4:213259:224052,CCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)c(F)c2)cc1,ZEOKVMXWZJEVIL-UHFFFAOYSA-N
rxn:4:213266:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,KRDWIPSQKVNCCZ-SOAUALDESA-N
rxn:4:213289:225294,CCN1CCN(c2ncc(-c3cnc(C(C)(C)C)nc3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BBGMCZVSLMOTRK-UHFFFAOYSA-N
rxn:4:213294:224267,CCOC(=O)Cc1nc2c(-c3cccc(N4CCC5(CC4)OCCO5)c3)cc(C(F)(F)F)cn2n1,JHOLOMYAUGMLND-UHFFFAOYSA-N
rxn:4:213320:223491,COC(=O)c1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,ZKARZVIVIIINOU-UHFFFAOYSA-N
rxn:4:213320:225665,COC(=O)c1nc(-c2ccc(Cl)cc2N2CCCCC2)n2c1CN(C(=O)OC(C)(C)C)CC2,RNVFGNFQGIWGQC-UHFFFAOYSA-N
rxn:4:213354:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2)CC1,UWOKPFDLOIRYEU-UHFFFAOYSA-N
rxn:4:213354:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1,YBDYEYDGHHZMKF-UHFFFAOYSA-N
rxn:4:213428:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2)C1,MDQFBNVHQFOXSR-HKBQPEDESA-N
rxn:4:213428:223933,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)ccc3c2)[nH]1,HMKNYYZJTBOCQA-LJAQVGFWSA-N
rxn:4:213474:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc21,VNYNAMSLFGGUNE-XIFFEERXSA-N
rxn:4:213493:223695,COC(=O)Cn1nc([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,VIPHWQFCNSOWQU-UHFFFAOYSA-N
rxn:4:213496:223606,CCOCn1cc([N+](=O)[O-])nc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,HUEJCKXFWYCUMA-UHFFFAOYSA-N
rxn:4:213632:223888,CC(C)(C)OC(=O)N1CC(n2ccnc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)C1,YCKRVBZHESAEGZ-UHFFFAOYSA-N
rxn:4:213660:222546,CCOC(=O)N1CCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XHZZPXCNACVQRL-UHFFFAOYSA-N
rxn:4:213705:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(Oc2ccncc2Cl)C1,NAXKTFZJGDYEIJ-UHFFFAOYSA-N
rxn:4:213715:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,AIQRIYKSEPYLTR-UHFFFAOYSA-N
rxn:4:213721:224022,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2)C1,SWWRSSJHTSDWSQ-UHFFFAOYSA-N
rxn:4:213765:222584,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)C1,XFFXYSGFOZPOBN-UHFFFAOYSA-N
rxn:4:213767:223520,CC(c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,FCXXBOAMGPCEQE-UHFFFAOYSA-N
rxn:4:213767:223650,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1,SJSLANBPCRTNJY-UHFFFAOYSA-N
rxn:4:213767:224414,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)o2)CC1,FNGVASPZVQGPNE-UHFFFAOYSA-N
rxn:4:213798:225561,CC(C)(C)OC(=O)c1ccccc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)cn1,FWUAJNHSYWDTKQ-UHFFFAOYSA-N
rxn:4:213799:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)cc2)C1,FPVZZWFZDHNWKM-UHFFFAOYSA-N
rxn:4:213799:224162,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)ncn2)C1,RXEKOSCJRHBWEC-UHFFFAOYSA-N
rxn:4:213800:222947,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(N3CCCC(O)C3)nc2Cl)ncn1,OAUWSMPCZCTQQL-UHFFFAOYSA-N
rxn:4:213803:222546,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1,KIHKJBGNDRERJD-UHFFFAOYSA-N
rxn:4:213805:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,UNECGDJDVMLYPM-UHFFFAOYSA-N
rxn:4:213828:225641,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)cc3)ccn2)C1,WAKQALQOIMRMJH-UHFFFAOYSA-N
rxn:4:213834:224619,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(OCCN4CCCC4)c(F)c3)cn2)C1,BLFGQTDNRQJIER-UHFFFAOYSA-N
rxn:4:213835:223533,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,QZSGLOVUAQTIQC-UHFFFAOYSA-N
rxn:4:213836:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2C1,QEUZOUOHGCXDML-UHFFFAOYSA-N
rxn:4:213836:223934,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)C1,STUFRHWNQAXCEX-UHFFFAOYSA-N
rxn:4:213839:223034,CC(C)(C)NC(=O)c1cncc(-c2nccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1,OPOBNAIEHMAJRH-UHFFFAOYSA-N
rxn:4:213839:224268,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)CC1,RWHIBLOITIVQJS-UHFFFAOYSA-N
rxn:4:213840:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nccn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2[N+](=O)[O-])CC1,NSPVLRDKPGWVMB-UHFFFAOYSA-N
rxn:4:213865:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnccc1OC1CCN(S(=O)(=O)c2c(C)noc2C)C1,IGYFOLGMGDABHL-UHFFFAOYSA-N
rxn:4:213865:224597,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2cc(C3CC3)cc(N3CCOCC3)c2)C1,PWUHTOBSFWIJMD-UHFFFAOYSA-N
rxn:4:213869:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)CC2)cc1,JAVLXVGRZPCMKH-UHFFFAOYSA-N
rxn:4:213876:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c(F)c2)CC1,BTYMZZZJHFWUKN-UHFFFAOYSA-N
rxn:4:213879:222810,CC(C)(C)OC(=O)Nc1cc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cn1,QMMGMAMDDDBQTO-UHFFFAOYSA-N
rxn:4:213882:225361,O=S1(=O)CCC(CN2CC(Cn3cc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)C2)CC1,CSHGFDJQCZMYQP-UHFFFAOYSA-N
rxn:4:213883:226896,COCn1cc(-c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c(C(F)(F)F)n1,IFFIIOQYKYCJNS-UHFFFAOYSA-N
rxn:4:213885:222634,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,UTFSQDKUOJPJRN-UHFFFAOYSA-N
rxn:4:213886:225361,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cn(C4CCCC4)nc3C(F)(F)F)n2)CC1,DJKUXVKBNXCBJN-UHFFFAOYSA-N
rxn:4:213888:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cncc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,NWKCEXGPOJZOHF-UHFFFAOYSA-N
rxn:4:213888:225218,CC1CCCN(c2ncc(-c3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)C1,SKAYTEKVPQFLBJ-UHFFFAOYSA-N
rxn:4:213892:225438,CC(c1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCCC1,KAXYHSQDTYCZKR-UHFFFAOYSA-N
rxn:4:213895:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(C2CCCCN2C(=O)OC(C)(C)C)nc1,VVKJWPKHDIDKBB-UHFFFAOYSA-N
rxn:4:213897:225978,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCOCC3)nc2F)CC1,WANRORLBLDDRLV-UHFFFAOYSA-N
rxn:4:213905:222389,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N1CCC(Cn2ccnc2)CC1,VLTGYAULRVOCHL-UHFFFAOYSA-N
rxn:4:213930:223945,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)cc1F,IRTGIGNMPMVEIZ-UHFFFAOYSA-N
rxn:4:213940:224268,Cn1ncc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,RRIAOADFGSMEDT-UHFFFAOYSA-N
rxn:4:213941:224272,Cc1c(-c2cc3ccncc3n2C(=O)OC(C)(C)C)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,CARCITZPWJQKDW-UHFFFAOYSA-N
rxn:4:213942:223635,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,BTUQXEKXDGMPBR-UHFFFAOYSA-N
rxn:4:213968:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OC4CCN(S(=O)(=O)c5cc(C)ccc5C)C4)nc3)cc2C)CC1,UVJAKQWJIPDSHO-UHFFFAOYSA-N
rxn:4:213969:224298,O=C(c1ccc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,TZNIKDDJEPQFHX-UHFFFAOYSA-N
rxn:4:213973:222619,O=C(NCc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1)C1CCCCC1,FTOZFUVEBLVUHX-UHFFFAOYSA-N
rxn:4:213980:223595,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,XRBUMRBHYCPVLR-UHFFFAOYSA-N
rxn:4:213982:223576,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)ncn1,FSGZNYBVACQFPN-UHFFFAOYSA-N
rxn:4:214000:222812,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1F,GWYIQICTNICXPH-UHFFFAOYSA-N
rxn:4:214000:222886,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(N3CCNCC3)cc2C#N)cc1F,GOMBMSXOCDSLPO-UHFFFAOYSA-N
rxn:4:214010:223508,Cc1nn(C(=O)c2ccccc2-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C)c1S(=O)(=O)N1CCOCC1,BWJDGRYKVOSZML-UHFFFAOYSA-N
rxn:4:214011:224018,Cc1nn(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c(C)c1S(=O)(=O)N1CCCC1,BGGMLJOUWUBSGK-UHFFFAOYSA-N
rxn:4:214017:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,MQJRREIVRWYDGU-UHFFFAOYSA-N
rxn:4:214037:224818,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)C2)CC1,JKLAKCFPIOGIEJ-UHFFFAOYSA-N
rxn:4:214038:222718,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cn3)C2)cc1C,RXCRRMAWCCGVGJ-UHFFFAOYSA-N
rxn:4:214050:224653,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(Cl)cc2OCC2CCCCO2)cc1F,YXYIQHVWIQQXAD-DKPCLATOSA-N
rxn:4:214051:228760,CC(C)c1sc(-c2cnc(C(C)(C)C)o2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,CZEHMDJMXNBEDF-UHFFFAOYSA-N
rxn:4:214065:226755,COC(=O)c1cc(-c2ccc(C(=O)n3nc(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)cc2)c(Cl)cc1F,FEACVVGBWHQPKZ-UHFFFAOYSA-N
rxn:4:214067:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccc(C)cc6)CC5)n4)cc3)ccc2C)CC1,TYRLSWPZKAAPJM-UHFFFAOYSA-N
rxn:4:214100:223606,CCOC(=O)c1nc2cnc(OC)cn2c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,ZBNKTSDJIVHSDS-UHFFFAOYSA-N
rxn:4:214135:225166,CCN(CC)S(=O)(=O)c1c(-c2ccc(C(=O)N3CCCC3)c(F)c2)nc2n1CCOC2,FPPSHYLYBYMGLM-UHFFFAOYSA-N
rxn:4:214179:223761,CC(C)(C)OC(=O)N1CC(c2ncn3ccc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)cc23)C1,ROVKQAKKWCRVSL-UHFFFAOYSA-N
rxn:4:214185:228311,CCCc1ncc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c(Cl)n1,FMSFANJRBIYWJY-UHFFFAOYSA-N
rxn:4:214202:227803,CN(C)S(=O)(=O)n1nccc1-c1cnc([C@@H]2[C@H]3CC[C@H](C3)N2C(=O)OC(C)(C)C)nc1,GVALYTPTLDOKBU-LXZKKBNFSA-N
rxn:4:214229:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnn(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)cnc1Cl,YIWRGGNXPUTOEP-UHFFFAOYSA-N
rxn:4:214275:222432,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cc23)CC1,BLJHNWOPNHYWDJ-UHFFFAOYSA-N
rxn:4:214292:226717,CCOc1ccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)cc1[N+](=O)[O-],DCEHXJSJYIIQSO-IXFSTUDKSA-N
rxn:4:214304:222927,Cc1nc(N2CCCCC2O)ncc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,LDGQCSCYXPHINY-UHFFFAOYSA-N
rxn:4:214304:228114,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1C#N,CIYIBDLHYREMKC-UHFFFAOYSA-N
rxn:4:214304:228837,Cc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(F)c1Cl,LPJVEKCUEGUNGI-UHFFFAOYSA-N
rxn:4:214304:228840,Cc1c(F)ccc(F)c1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,QDUJGUWZYXDECX-UHFFFAOYSA-N
rxn:4:214304:228871,COC(=O)c1ccsc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,WKWGNFYQPKHRNV-UHFFFAOYSA-N
rxn:4:214320:223880,Cc1ccc2c(c1)cc(-c1ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c1)n2C(=O)OC(C)(C)C,MIGHJCSDQFUBPY-UHFFFAOYSA-N
rxn:4:214320:226714,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc32)CC1,ZVKZLDDQEBMDON-UHFFFAOYSA-N
rxn:4:214711:224406,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,AZAIIQLUMLGERE-UHFFFAOYSA-N
rxn:4:214714:223994,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,ITICMPRHSCXSTN-UHFFFAOYSA-N
rxn:4:214728:224658,CC(=O)N1CCN(c2ccc(-c3cnn(C(C)C(=O)N4CCC(C)CC4)c3)cc2)CC1,RGLHGSVDRPRLSL-UHFFFAOYSA-N
rxn:4:214735:224771,Cc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc1S(=O)(=O)N1CCCC1,YREUMRGBLIHFAP-UHFFFAOYSA-N
rxn:4:214766:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)c1,VHMHLHZNVXVHHJ-UHFFFAOYSA-N
rxn:4:214766:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,UTLQAFCZRSFWKU-UHFFFAOYSA-N
rxn:4:214766:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,ZDIMMLFIDHCMGP-UHFFFAOYSA-N
rxn:4:214767:222859,CN(C)CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2N2CCC(N(C)C)CC2)cc1,CIQQGUUGJAREDB-UHFFFAOYSA-N
rxn:4:214771:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,OELUTSPNYGBIIS-MEMLXQNLSA-N
rxn:4:214773:224770,Cc1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,MWSMDJNNWILJSK-UHFFFAOYSA-N
rxn:4:214803:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,DKOCWQUZIJMHMD-UHFFFAOYSA-N
rxn:4:214804:225093,CCCOc1c(Cl)cc(-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCC,XJHGUPQTWQDMSS-UHFFFAOYSA-N
rxn:4:214820:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1,BEHYMGCBKVJKKP-UHFFFAOYSA-N
rxn:4:214836:225313,CN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,HCXNWCALPKGMOA-UHFFFAOYSA-N
rxn:4:214837:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,BFOORAJXUJEUIO-UHFFFAOYSA-N
rxn:4:214837:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c(F)c2)CC1,XDYOSSRBBGSCHS-RZWCHVLBSA-N
rxn:4:214839:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,WRZATAKARCCBHG-UHFFFAOYSA-N
rxn:4:214857:223831,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4ccn(C)n4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,XXBIJFVUQCUKBB-UHFFFAOYSA-N
rxn:4:214862:225093,CCCOc1c(Cl)cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc1OCC,UINZPBGSMDPDTL-UHFFFAOYSA-N
rxn:4:214870:225520,CCCCOC(=O)c1cccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,LOZUOSNABDGAAQ-UHFFFAOYSA-N
rxn:4:214871:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,CPDFHKAUUZGPBT-UHFFFAOYSA-N
rxn:4:214874:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1,BIPCCCVGLOEIBX-UHFFFAOYSA-N
rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
rxn:4:214874:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMWCGUFMRLRZHW-UHFFFAOYSA-N
rxn:4:214875:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)ccn2)CC1,SXNOHJIOQZBIQG-UHFFFAOYSA-N
rxn:4:214875:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,HLSCUBWHZYUKIQ-UHFFFAOYSA-N
rxn:4:214880:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1Cl,HWXJPABREJWOTD-UHFFFAOYSA-N
rxn:4:214886:228347,O=C(C1CCN(c2ncc(-c3cnc(N4CCC4)nc3)cc2F)CC1)N1CCC(F)(F)CC1,YOABODYTVLPAPT-UHFFFAOYSA-N
rxn:4:214894:225719,COCCOc1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)cc1OC,IRHAAZXUNBYICW-UHFFFAOYSA-N
rxn:4:214894:226227,COCCCOc1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)cc1,KHOZUKOWFDKZLF-UHFFFAOYSA-N
rxn:4:214894:226485,COCCOc1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCOCC3)c2)ccc1Cl,XVXCORZQYFSRNK-UHFFFAOYSA-N
rxn:4:215054:225367,CC(C)(C)OC(=O)N1CCc2c(-c3cnc(N4CCC(F)(F)CC4)nc3)ncn2C1=O,JJEUSQRZLFSVMT-UHFFFAOYSA-N
rxn:4:215056:224760,O=C1CCCN2N=C(SCc3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3)SC2=N1,BPIGOVOKDPQRBF-UHFFFAOYSA-N
rxn:4:215056:225371,COC(=O)c1cc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cnc1C(F)(F)F,NZFBSGISMAKHGR-UHFFFAOYSA-N
rxn:4:215096:223635,CC1c2cnc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2CCN1C(=O)OC(C)(C)C,KAIORZOOXYQEJK-UHFFFAOYSA-N
rxn:4:215100:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,RLDGDYYBEKHFIA-UHFFFAOYSA-N
rxn:4:215101:224846,CCC1CCC(c2ccc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,VWLLRWUAZMYXEX-UHFFFAOYSA-N
rxn:4:215103:223696,CC(C)(C)OC(=O)N1CCCn2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)nc2C1,ZTBWJVYMLYQZLG-UHFFFAOYSA-N
rxn:4:215104:224880,CC(C)(C)OC(=O)N1CCc2c(-c3ccccc3CN3CCCCCC3)ncn2CC1,AMTRDWKMGUDSHU-UHFFFAOYSA-N
rxn:4:215105:225832,Cc1nn(C2CCCCO2)c(C)c1-c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2(C)C,ZOBRXPMYFRXPQN-UHFFFAOYSA-N
rxn:4:215214:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cnc4n3CC3(COCCN(C(=O)OC(C)(C)C)C3)C4)c2)CC1,SQWNKSWMCRVIJK-UHFFFAOYSA-N
rxn:4:215214:223775,COc1ccc2c(c1)c(-c1cnc3n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C3)cn2C(=O)OC(C)(C)C,HIENKIWICHEEBN-UHFFFAOYSA-N
rxn:4:215214:223934,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cc5ccc(F)cc5n4C(=O)OC(C)(C)C)n3C2)C1,VXIUTOTWAJPQFK-UHFFFAOYSA-N
rxn:4:215228:226854,COc1ccc(F)c(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)c1[N+](=O)[O-],BBLXSINYGZUUBN-UHFFFAOYSA-N
rxn:4:215679:223541,COc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)nnn1C1CCCC1,KVOFJRFZVVZSKI-UHFFFAOYSA-N
rxn:4:215874:223696,CC(C)c1cc(N2CCCC2)nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,VOXXJMZNTZGKTM-UHFFFAOYSA-N
rxn:4:215900:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,REKDRLJMMGJEPI-UHFFFAOYSA-N
rxn:4:215900:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,QAFLMALKAGRDIR-UHFFFAOYSA-N
rxn:4:215927:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc(C2CC2)cc(N2CCCCC2)n1,PNGLAVZWXYAHIY-UHFFFAOYSA-N
rxn:4:215935:223682,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1c(C(F)(F)F)ccc2c1cnn2C1CCCCO1,SQVFDGRMKPNZCP-UHFFFAOYSA-N
rxn:4:215941:223997,Cc1cc(-c2ccncc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,PCCKRIUQSHVRPB-UHFFFAOYSA-N
rxn:4:215965:223697,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)nc(C3CC3)n2)CC1,TVTNFTHOGUNKPE-UHFFFAOYSA-N
rxn:4:215974:222629,CC(C)(C)c1cc(-c2ccc(N3CCC(N4CCOCC4)C3)nc2)cc(C2CCCNC2)n1,QBIPXUOIXDEIQJ-UHFFFAOYSA-N
rxn:4:215974:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(N4CCC(N5CCOCC5)C4)nc3)cn2)CC1,IEFCQTUCFDQEET-UHFFFAOYSA-N
rxn:4:216160:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc4nc(N5CCOCC5)sc4cc3[N+](=O)[O-])c2)CC1,HRTWFNDOMOCSKZ-UHFFFAOYSA-N
rxn:4:216252:224687,CC(=O)N1CCc2c(c(-c3cc(F)cc(CN4CCC(=O)CC4)c3)nn2C2CCOCC2)C1,YSMWEMLFQIZRDC-UHFFFAOYSA-N
rxn:4:216252:225276,CCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)ccc1C(F)(F)F,BRGKDZNXSALHOQ-UHFFFAOYSA-N
rxn:4:216252:225352,CC(=O)Oc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1C(F)(F)F,KFOOFKZNFBHXOS-UHFFFAOYSA-N
rxn:4:216356:223194,CCCNCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1,ANVPFBMSYNCVGH-UHFFFAOYSA-N
rxn:4:216356:226612,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)nc4)ccc2OC32CCN(C)CC2)cc1,WAGBDVMPDPAMLS-UHFFFAOYSA-N
rxn:4:217088:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2c(Cl)ncnc2N2CCOCC2)CC1,WDJAUDSJGOUTAX-UHFFFAOYSA-N
rxn:4:217191:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cncnc1N1CCCCCC1,LQOQMZXFKUKRDQ-UHFFFAOYSA-N
rxn:4:217792:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2csc3c(N4CCOCC4)nc(Cl)nc23)CC1,DSLLMDADKYXLCS-UHFFFAOYSA-N
rxn:4:217898:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C)nn4c(C(F)(F)F)c5c(nc34)CCCC5)cc2C)CC1,AACNGMMDXOJMEH-UHFFFAOYSA-N
rxn:4:217905:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,FRKNPYTZUSDQPG-UHFFFAOYSA-N
rxn:4:217907:225183,CN1CCC2(CC1)Oc1ccc(-c3ccc(OC4CCCCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,NVVFAEPFYBUMEL-UHFFFAOYSA-N
rxn:4:218231:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nnc2n1CCOC2,BAGFXUUHRFDELT-UHFFFAOYSA-N
rxn:4:218521:223574,CN1Cc2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2CS1(=O)=O,OWTXTOGCLUZAIW-UHFFFAOYSA-N
rxn:4:218579:222948,CCN1CCN(c2oc(COc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)nc2C#N)CC1,WIZINORNPYBFBU-UHFFFAOYSA-N
rxn:4:218600:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)cn2)CC1,GYYUAVRSSLOWAR-UHFFFAOYSA-N
rxn:4:218629:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)Cc5c(C)noc5C)C4)nc3)cc2)CC1,FQJDGPGZAMAPFF-JFJJZVRQSA-N
rxn:4:218652:223931,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,SPGDURLHLDSCCJ-UHFFFAOYSA-N
rxn:4:218652:227696,COC(=O)c1ccc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(F)n1,DADSQGZZXDZRKW-UHFFFAOYSA-N
rxn:4:218666:222634,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)nn1,MPUMTOOFPGDBNT-UHFFFAOYSA-N
rxn:4:218666:222948,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)C2)nn1,SEJZDLKLGWVRKV-UHFFFAOYSA-N
rxn:4:218682:222546,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)CC1,GPYVKKDIFCYJMU-UHFFFAOYSA-N
rxn:4:218682:225977,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)CC1,AIMLAJQXSCORGI-UHFFFAOYSA-N
rxn:4:218684:224157,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)c3)ccc2C#N)CC1,ZEZUDNULZIBQHI-UHFFFAOYSA-N
rxn:4:218690:223812,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)CC3)[nH]n2)cc1,AYNHHNNEESDERB-UHFFFAOYSA-N
rxn:4:218695:223489,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3C)CC2)cc1,LTXBYDYKVADMGX-UHFFFAOYSA-N
rxn:4:218696:222389,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,MXDXUYUKAPNWHP-UHFFFAOYSA-N
rxn:4:218768:226619,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cnc(N2CCCC2)nc1C,CCXWUIYYTXPHDE-UHFFFAOYSA-N
rxn:4:218778:223530,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc(Cl)cc32)cc(C)c1F,HXRLMPSXAPXHEB-UHFFFAOYSA-N
rxn:4:218778:225294,CCN1CCN(c2ncc(-c3cc(Cl)cc4c3nc(N3CC5(CN(C(=O)OC(C)(C)C)C5)C3)n4Cc3cc(C)c(F)c(C)c3)cn2)CC1,RQXMNNVAMVVDMA-UHFFFAOYSA-N
rxn:4:218778:225665,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(Cl)cc4N4CCCCC4)cc(Cl)cc32)cc(C)c1F,KYNDOQCTQJNPEM-UHFFFAOYSA-N
rxn:4:218778:228645,Cc1cc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)c(C)cc1Cl,ABPNVJBZNQPSGM-UHFFFAOYSA-N
rxn:4:218831:222584,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,KVDLOFCRUGNWHW-UHFFFAOYSA-N
rxn:4:218885:223595,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,TWLQJLZKDYAEOE-UHFFFAOYSA-N
rxn:4:218964:228866,COCc1noc(C)c1-c1cnn(CC2CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1,FUIDISGKJJTDOL-UHFFFAOYSA-N
rxn:4:218964:228870,COC(=O)c1csc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c1,FYQMCTYALHGRTR-UHFFFAOYSA-N
rxn:4:218975:223602,Cc1cccnc1OCC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2C#N)CC1,RCKUSONYAVLKLR-UHFFFAOYSA-N
rxn:4:218993:223671,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,XIOGTRQMOYLOKW-UHFFFAOYSA-N
rxn:4:218998:222584,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,XUAZLIGKFLQVEG-UHFFFAOYSA-N
rxn:4:218998:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)N3CCOCC3)C2)nc1,RFGGSXGMSDEESZ-UHFFFAOYSA-N
rxn:4:218998:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1Cl,WGMKAULPPASMCG-UHFFFAOYSA-N
rxn:4:219011:223602,CN(c1cnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,CBHUALPYRFFLJM-UHFFFAOYSA-N
rxn:4:219011:223646,CN(c1cnc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,LGEZWBLINIQDEZ-UHFFFAOYSA-N
rxn:4:219011:225233,CC1CCCN(c2cc(-c3cnc(N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cnc2Cl)C1,FXIYLTVZXJETBK-UHFFFAOYSA-N
rxn:4:219012:223106,CN(c1ncc(-c2cnc(N3CCC(O)C3)nc2Cl)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,NYIUNMPRBCCDDA-UHFFFAOYSA-N
rxn:4:219027:223649,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnn1C,IPZHQSCHXUYKMQ-UHFFFAOYSA-N
rxn:4:219029:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)c1,BTMCXAWNPMVJHP-UHFFFAOYSA-N
rxn:4:219033:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)C1,DHBCXIAVWCBDBT-UHFFFAOYSA-N
rxn:4:219033:224904,O=C(c1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)cc1)C1CCCCC1,RIWAFCIFJOFLGZ-UHFFFAOYSA-N
rxn:4:219044:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)cc2)CC1,OJKLZEKMWZSTTH-KWQFAZJVSA-N
rxn:4:219046:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,MOFMDROFCKSVLA-UHFFFAOYSA-N
rxn:4:219047:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc(OC)cc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)cc1,KOBFCDQAHDPKTN-UHFFFAOYSA-N
rxn:4:219047:223489,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,HIFATNSHRFUKKS-UHFFFAOYSA-N
rxn:4:219051:223225,CCNC(=O)c1ccccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,FBRAFTUJJHPOFX-UHFFFAOYSA-N
rxn:4:219051:223929,CN(c1cnc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,FOCFQUKOYFFPGN-UHFFFAOYSA-N
rxn:4:219053:225980,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(N5CCOCC5)ncc4F)c3)cn2)CC1,SQIPNWKOCZTUDY-UHFFFAOYSA-N
rxn:4:219065:223812,COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)[nH]n2)cc1,FVJJEDFPRHBBHM-UHFFFAOYSA-N
rxn:4:219076:225898,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n[nH]2)CC1,UCKNLZZFSHZDJL-UHFFFAOYSA-N
rxn:4:219120:224592,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CCCCC1,KEOHQFCYPPVATN-UHFFFAOYSA-N
rxn:4:219135:222501,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CNS(=O)(=O)c6ccc(C)cc6)cc5)c4)C3C2=O)cc1,WGMBNLIQCYCXOH-UHFFFAOYSA-N
rxn:4:219135:223022,COCCNC(=O)c1ccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)cc1,LNAVQGAPNKFFLW-UHFFFAOYSA-N
rxn:4:219135:224656,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(OC6CCCC6)c5F)c4)C3C2=O)cc1,MUNXTAIOXFAHHU-UHFFFAOYSA-N
rxn:4:219135:225345,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)N(C)C)ccc5OC)c4)C3C2=O)cc1,QBYQAUKGALJULM-UHFFFAOYSA-N
rxn:4:219135:225346,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(S(=O)(=O)N(C)C)c5)c4)C3C2=O)cc1,JEMWROXQIPDCKA-UHFFFAOYSA-N
rxn:4:219135:226295,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(F)ccc5COC(C)C)c4)C3C2=O)cc1,PNVBAGKAMAIAQZ-UHFFFAOYSA-N
rxn:4:219135:226356,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OC)c(C6CC6)cc5Cl)c4)C3C2=O)cc1,FVDJSJZWMORLMJ-UHFFFAOYSA-N
rxn:4:219142:225232,CC1CCN(c2cc(-c3cc(C#N)c4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cnc2Cl)CC1,BWXBYNIXMZARNH-UHFFFAOYSA-N
rxn:4:219161:227610,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3ccn(C4CCCCO4)n3)cnn12,JLWMFKFVZRPVQX-UHFFFAOYSA-N
rxn:4:219203:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,OGXAPQIRVFPHDG-SBCJZHDBSA-N
rxn:4:219334:225231,CC1CCCCN1c1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1Cl,LKVOSCGXERRLGN-UHFFFAOYSA-N
rxn:4:219369:224460,Cn1c(-c2cc(C3CC3)cc(N3CCCCC3)c2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,NMFIHMBRIGJXJI-JOCHJYFZSA-N
rxn:4:219369:225802,Cn1c(-c2ccc(OC3CCCC3)nc2F)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,WWYLVVKJXOQCNE-MRXNPFEDSA-N
rxn:4:219370:224273,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)n2)C1,GGXCFUHYGGNPKF-UHFFFAOYSA-N
rxn:4:219371:223594,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZTGHFZIQETXGOW-UHFFFAOYSA-N
rxn:4:219372:223533,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,PSXLZNJBQNMVPX-UHFFFAOYSA-N
rxn:4:219374:223588,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZWECZCAKPSNVKZ-UHFFFAOYSA-N
rxn:4:219401:223776,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)s2)CC1,GSVLZFWKYOKEGK-UHFFFAOYSA-N
rxn:4:219401:227767,CCn1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)c(C(F)(F)F)n1,AKAYRTLQYPLMAH-UHFFFAOYSA-N
rxn:4:219402:225172,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,WVONPMGJUOSHAB-UHFFFAOYSA-N
rxn:4:219404:226047,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OC(F)(F)F)c(F)c3F)n2)CC1,NSJBHHLPIJSGSU-UHFFFAOYSA-N
rxn:4:219405:225877,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,CZKONAADJVOXCG-UHFFFAOYSA-N
rxn:4:219406:223084,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(O)CC4)nc3)n2)CC1,KJMYJJNIJYNSAK-UHFFFAOYSA-N
rxn:4:219406:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1,JDZDKBNZKILTCW-UHFFFAOYSA-N
rxn:4:219452:225901,Cc1nc(-c2cn(C(=O)OC(C)(C)C)nc2C)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,FJLQCPMOGYFEKL-UHFFFAOYSA-N
rxn:4:219452:226138,Cc1nc(-c2c(C)cc(C#N)cc2C2CC2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,AKSLGPKKPJBCRC-UHFFFAOYSA-N
rxn:4:219452:226447,Cc1nc(-c2ccnc(C3CCOCC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,UARZQVPIOGUSKZ-UHFFFAOYSA-N
rxn:4:219454:225977,Cc1c(-c2cc(Cl)cnc2N2CCOCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,YVJRDLXWYFLCMO-UHFFFAOYSA-N
rxn:4:219454:226792,Cc1c(-c2cnc(N3CCOCC3)nc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,AXBZDLPCLNAMAC-UHFFFAOYSA-N
rxn:4:219455:226686,Cc1cnn(C2CCCCO2)c1-c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,WBEBFTHAYAPPEA-UHFFFAOYSA-N
rxn:4:219462:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,UUOOFICRENJHDE-UHFFFAOYSA-N
rxn:4:219463:223576,Cc1cc(OCC2CCN(c3ncc(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)ccn1,JLTJBPUASNVTDN-UHFFFAOYSA-N
rxn:4:219473:224395,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,NSNYZDUAXTUGMK-UHFFFAOYSA-N
rxn:4:219487:225984,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,RBNCRAPKVYMWAY-UHFFFAOYSA-N
rxn:4:219498:222634,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,SPHDCXVMPNUMOD-UHFFFAOYSA-N
rxn:4:219508:222524,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)CC2)cc(C(F)(F)F)n1,YUPAPAAQILCMRH-UHFFFAOYSA-N
rxn:4:219508:222742,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cc(C4CCNCC4)nc(C4CC4)c3)CC2)cc(C(F)(F)F)n1,BAMAUXBANIYGBG-UHFFFAOYSA-N
rxn:4:219515:228498,Cn1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)c(C(F)(F)F)n1,FKWTYMFHSRRJEE-UHFFFAOYSA-N
rxn:4:219530:226654,CC1CCN(c2nc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)cs2)CC1,NJWCWIVRFMNIRD-UHFFFAOYSA-N
rxn:4:219539:225899,Cc1cc(-c2ccccc2C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)n(C(=O)OC(C)(C)C)n1,ABWPSGPBLBXEAU-UHFFFAOYSA-N
rxn:4:219551:225408,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cc5c6c(c4)CCCN6CCC5)cn3)CC2)C1=O,CAMAEKBOZXHUSM-UHFFFAOYSA-N
rxn:4:219551:226679,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(N5CCCC5)cc4F)cn3)CC2)C1=O,YADYMUFIOQHPAG-UHFFFAOYSA-N
rxn:4:219565:222466,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,IDHWXAAEIWPHEB-UHFFFAOYSA-N
rxn:4:219639:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)C4)nn3c2)cc1,UUAYRSNLQKAIRV-UHFFFAOYSA-N
rxn:4:219649:225346,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,LZDOTHSJFWHDDB-UHFFFAOYSA-N
rxn:4:219650:225710,CCOC(OCC)c1ncccc1-c1cc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1OC,VNHPDCKQEKUORR-UHFFFAOYSA-N
rxn:4:219653:222426,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)nc3s2)CC1,GACKDVJAUZPTEO-UHFFFAOYSA-N
rxn:4:219653:222889,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCNCC5)c4)nc3s2)CC1,MUKYURWMSCXBCX-UHFFFAOYSA-N
rxn:4:219653:225980,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)nc3s2)CC1,WFXKQSPFPKLFPA-UHFFFAOYSA-N
rxn:4:219654:223480,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JRWWIORFQHNONW-UHFFFAOYSA-N
rxn:4:219689:223773,COc1cccc2cc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)n(C(=O)OC(C)(C)C)c12,WILSRYPRTIZCKR-UHFFFAOYSA-N
rxn:4:219689:225984,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)n3c2)CC1,YAEZLHHOVYAALV-UHFFFAOYSA-N
rxn:4:219691:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)c2F)C1,URTNOYSPESGUTB-UHFFFAOYSA-N
rxn:4:219691:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,VPXNZGLEELDJAF-UHFFFAOYSA-N
rxn:4:219704:224371,COC(=O)C1CCN(c2ncc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cn2)CC1,MEFCVGSMGZBPKT-UHFFFAOYSA-N
rxn:4:219706:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)c(Cl)c1,ICEWDHILMCUFQE-UHFFFAOYSA-N
rxn:4:219710:223589,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5C)c(C)c4)C3C2=O)c1,FODKPUGQTWVHDJ-UHFFFAOYSA-N
rxn:4:219710:225287,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(Cl)ncc5C(=O)OC(C)(C)C)c(C)c4)C3C2=O)c1,BHTZBWXEOIERGM-UHFFFAOYSA-N
rxn:4:219769:225975,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,SAXULHUDWFEDDL-UHFFFAOYSA-N
rxn:4:219832:223845,COCn1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)nc1N1CCOCC1,GKEDJOLQTFQEOU-UHFFFAOYSA-N
rxn:4:219892:224371,COC(=O)C1CCN(c2ncc(-c3cnc(N4CCC(N(C)C(C)=O)CC4)nc3)cn2)CC1,HIZVRBLVFBYDOL-UHFFFAOYSA-N
rxn:4:219899:223489,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)C2)ncn1,HPECMCNTJBBPFQ-UHFFFAOYSA-N
rxn:4:219899:223608,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)C2)ncn1,MVVQSTHCMUIBPU-UHFFFAOYSA-N
rxn:4:219904:222741,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cn2)CC1,DWWAATBLTMZEAL-UHFFFAOYSA-N
rxn:4:219955:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,QUNZMEZGBKAXRU-UHFFFAOYSA-N
rxn:4:219959:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1Cl,ZPJOKNDAVYMIAO-UHFFFAOYSA-N
rxn:4:219980:223696,Cc1cc(N2CCN(Cc3ccccc3-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)CC2)ncn1,UFZXQONWTTYXBE-UHFFFAOYSA-N
rxn:4:219988:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,QDSUNCDYEKXOQB-UHFFFAOYSA-N
rxn:4:219997:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(c5nccn(C6CC6)c5=O)CC4)cc3)c2)CC1,KOYJYRNPAYILQC-UHFFFAOYSA-N
rxn:4:220007:223539,COC(=O)Cc1nnc2c(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nccn12,RAJNYUSNXUMMGE-UHFFFAOYSA-N
rxn:4:220018:223671,COCC(=O)N1CCn2nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2C1,STAICJWAUBISFD-UHFFFAOYSA-N
rxn:4:220039:224153,CC(C)(C)OC(=O)N1CCc2nnc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)n2C1,YIUGECAPWXZQTA-UHFFFAOYSA-N
rxn:4:220041:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cc2C1,PZTSNZKITNQEEP-UHFFFAOYSA-N
rxn:4:220069:222695,Cc1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)NC1CCCC1,FBYOKPJEEVAWIA-UHFFFAOYSA-N
rxn:4:220161:223928,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cnc6c(c5)CN(C(=O)OC(C)(C)C)CC6)c(C)c4)C3C2=O)c1,YSMFONXPARNFGE-UHFFFAOYSA-N
rxn:4:220161:225665,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(Cl)cc5N5CCCCC5)c(C)c4)C3C2=O)c1,QDKGUZRVDGIGLG-UHFFFAOYSA-N
rxn:4:220204:224672,CCN1CCN(c2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c(Cl)c2)CC1,GTPUYOFRIMSGHD-UHFFFAOYSA-N
rxn:4:220205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2Cl)CC1,GGOWNDRVUSQCIQ-UHFFFAOYSA-N
rxn:4:220225:226496,CCN(CC)c1cc(F)c(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cn1,ONHUUUMADLDZHZ-UHFFFAOYSA-N
rxn:4:220356:223835,Cc1cc(F)c(-c2nc([N+](=O)[O-])nn2C2CCCCC2)cc1S(=O)(=O)N1CCC(C)CC1,PTUVYCDOBGQWKQ-UHFFFAOYSA-N
rxn:4:220356:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3nc([N+](=O)[O-])nn3C3CCCCC3)cc21,PTIYOXVZLYTCRW-UHFFFAOYSA-N
rxn:4:220393:223533,CC(=O)N1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,FQRWFXCQMCPCRQ-UHFFFAOYSA-N
rxn:4:220422:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCN(c3ccc(Cl)cc3)CC2)nc1,ABQYTCDYMQZBAT-UHFFFAOYSA-N
rxn:4:220463:222538,O=[N+]([O-])c1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c2nsnc2c1N1CCOCC1,FESSCWLVUGMIHR-UHFFFAOYSA-N
rxn:4:220718:223480,Cc1cc(-c2nc(N3CCCC3)n[nH]2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LHZXTXGFDQHTMV-UHFFFAOYSA-N
rxn:4:220869:223482,CSc1nc(Cl)n2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2n1,SZJCYPGHALKYFA-UHFFFAOYSA-N
rxn:4:221094:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cc2)CC1,ZXWPQFMUJSKVRX-UHFFFAOYSA-N
rxn:4:221110:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)cc2)CC1,ZMPFHUNBFUNSSV-WXUXXXNLSA-N
rxn:4:221115:225661,CCOc1ccc(-c2ccc(N3CCOCC3)cc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,BXKLOCPIZVNZGF-UHFFFAOYSA-N
rxn:4:221173:223945,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)ccc1=O,YFKVSDWBVQASQT-UHFFFAOYSA-N
rxn:4:221180:223812,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1C,JCHXJFQKUVFJNL-UHFFFAOYSA-N
rxn:4:221181:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c2)CC1,BHDXAAJMVJQPEM-UHFFFAOYSA-N
rxn:4:221182:227684,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnn(CC5OCCO5)c4)cn3)CC2)C1=O,VSNDTBAHRWTHDU-UHFFFAOYSA-N
rxn:4:221182:228326,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc(OC)nc(OC)c4)cn3)CC2)C1=O,GNEZIDGRBFPXAV-UHFFFAOYSA-N
rxn:4:221186:223844,CN(CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1)c1cc(C(F)(F)F)ccn1,ISIOFNNLLKJDAY-UHFFFAOYSA-N
rxn:4:221191:224377,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cn3)C2)nc(C2CC2)n1,POCPLRFOXOFXHX-UHFFFAOYSA-N
rxn:4:221203:222630,c1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)ccc1CCN1CCN(c2ccc(N3CCOCC3)nn2)CC1,LSWZFUDDSQWHMN-UHFFFAOYSA-N
rxn:4:221204:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,DVWWLCIPOJUCDG-UHFFFAOYSA-N
rxn:4:221204:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CCN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cc2C)CC1,GPOWSLJFCBDDMP-UHFFFAOYSA-N
rxn:4:221207:225623,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(OC5CCOCC5)c4)cc3)CC2)n1,MACYEBDEDYGWCA-UHFFFAOYSA-N
rxn:4:221208:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1,BIGHLSPZHUXZMR-UHFFFAOYSA-N
rxn:4:221208:225295,Cc1cc(N2CCN(CCc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)CC2)nc(N2CCOCC2)n1,CKEDARFIMLGUSJ-UHFFFAOYSA-N
rxn:4:221233:223945,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)CC3)ccc2n1,IBPUKTOTUQHCQY-UHFFFAOYSA-N
rxn:4:221233:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)cn6n5)CC4)c3)c(Cl)c2)CC1,FXLCFOXWUZTNDZ-UHFFFAOYSA-N
rxn:4:221245:222584,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)CC3)nn2c1C,NKNNZOWCNUPFPB-UHFFFAOYSA-N
rxn:4:221249:223084,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(N6CCC(O)CC6)nc5)cnn4c3)cc2)CC1,ZVZSPXVIWCTLDI-UHFFFAOYSA-N
rxn:4:221351:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1,QAGVLVKVMVNKRN-UHFFFAOYSA-N
rxn:4:221352:222584,Fc1cc(-c2cnc(OC3CCN(c4nc(C5CC5)ns4)CC3)nc2)ccc1OCCCN1CCNCC1,GGKFGJSSNRMQAB-UHFFFAOYSA-N
rxn:4:221352:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c2Cl)CC1,KAXJNSQTTMYMAS-UHFFFAOYSA-N
rxn:4:221358:222612,Cc1cc(N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C2)nc(C2CC2)n1,LKANUZVKLZQZFF-UHFFFAOYSA-N
rxn:4:221368:223533,CCc1cc(N2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)ncn1,PNZZLJCDBDXNLS-UHFFFAOYSA-N
rxn:4:221392:222546,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)n1,CTCBPZFECATTKW-UHFFFAOYSA-N
rxn:4:221401:224018,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)c3)CC2)n1,LNLZGLDHOSJDRZ-UHFFFAOYSA-N
rxn:4:221422:224672,CCN1CCN(c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c(Cl)c2)CC1,ZSNVPHZOLICJFC-UHFFFAOYSA-N
rxn:4:221428:223835,Cc1cc(F)c(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,ROMZPAVLWQCNAF-UHFFFAOYSA-N
rxn:4:221443:224759,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CC2)n1,OLCIGTCHPPSGGU-UHFFFAOYSA-N
rxn:4:221499:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)c(F)c2)CC1,JQQUQBFHFIUIDG-UHFFFAOYSA-N
rxn:4:221522:223671,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,VDXCNDJPLWRVNY-UHFFFAOYSA-N
rxn:4:221522:223777,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc6c(c5F)CCN(C(=O)OC(C)(C)C)C6)cn4)CC3)cnc2c1,YCPPGUJJJOIIHC-UHFFFAOYSA-N
rxn:4:221538:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,WBMXILNYEQDFSG-WOHAOPLGSA-N
rxn:4:221614:224810,COCn1nc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)nc1N1CCCN(C)CC1,LNTFTBBODYWXSA-UHFFFAOYSA-N
rxn:4:221639:223823,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,SVZYTXBARRQFCU-UHFFFAOYSA-N
rxn:4:221645:223697,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)CC2)n1,XTTGZFXCDQDSGF-UHFFFAOYSA-N
rxn:4:221702:222634,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,ZFYZTUQNEGXFIK-UHFFFAOYSA-N
rxn:4:221702:224400,Cn1c(=O)c2c(nc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2CCN2CCOCC2)n(C)c1=O,HLCWRQIOMWPFTJ-UHFFFAOYSA-N
rxn:4:221723:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c2)CC1,PAMJSABLIDVRNG-UHFFFAOYSA-N
rxn:4:221723:223774,COc1cccc2c1cc(-c1cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc1)n2C(=O)OC(C)(C)C,CYVUPJXRTBHXEF-UHFFFAOYSA-N
rxn:4:221723:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc2C1,CRKXOMKRBVDAPB-UHFFFAOYSA-N
rxn:4:221723:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc2)CC1,UVFYIPHDFBJJNY-ALOJWSFFSA-N
rxn:4:221731:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)CC1,NUXNKDSLSGBIOB-UHFFFAOYSA-N
rxn:4:221731:225361,O=c1cc2c(nn1CC1CCN(c3ncc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)CC1)CCCC2,WWGSPRGIWGZNGQ-UHFFFAOYSA-N
rxn:4:221742:222584,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,XKWPPVGSOMNFAJ-UHFFFAOYSA-N
rxn:4:221919:224320,CCOc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,VAUFCYULYICLKJ-UHFFFAOYSA-N
rxn:4:221925:223177,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccc(CNS(C)(=O)=O)cc5)no4)C3C2=O)cc1,WFWLHRDAWBHUML-UHFFFAOYSA-N
rxn:4:221965:225877,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)cc5N5CCOCC5)cc4)CC3)nn2)CC1,IJQKBFFCJMHEBV-UHFFFAOYSA-N
rxn:4:221971:224867,c1cc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)ccc1OCC1CCCCC1,CXUHIMHCEQEBHN-UHFFFAOYSA-N
rxn:4:221980:222584,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)c4)sc3n2)CC1,CIXXAWQQUONBIE-UHFFFAOYSA-N
rxn:4:221980:224718,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCN6CCOCC6)nc5)c4)sc3n2)CC1,NYOWRBBTSCWPJS-UHFFFAOYSA-N
rxn:4:221985:225877,Cn1cc(-c2nc3cnc(-c4ccc(Cl)cc4N4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,IDOICEZXIMZJLQ-JOCHJYFZSA-N
rxn:4:222056:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)c2)CC1,DBABYCHABFAZGM-UHFFFAOYSA-N
rxn:4:222056:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2C1,JTJMAAYGABSICB-UHFFFAOYSA-N
rxn:4:222122:224286,Cc1nnc2ccc(N3CC4CN(C(=O)Cc5ccccc5-c5ccc(OCCN6CCOCC6)c(Cl)c5)CC4C3)nn12,CIAYXQGLUGNHHU-UHFFFAOYSA-N
rxn:4:222124:222929,O=C1C2N=NN(Cc3nc(-c4cccc(-c5cnc(Cl)c(N6CCC(O)CC6)c5)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,COFDBLFSSAREMI-UHFFFAOYSA-N
rxn:4:222152:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nc1,MTJNLUQZNYZCRS-UHFFFAOYSA-N
rxn:4:222154:224319,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)CC2)cc(C(F)(F)F)n1,UTHXXJDFRHXIDW-UHFFFAOYSA-N
rxn:4:222168:222717,Cc1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,VYQIKTUPVHFLIH-UHFFFAOYSA-N
rxn:4:222329:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc1,RYTLXTABMZNZGI-UHFFFAOYSA-N
rxn:4:222329:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)c1,QUACEDFYJSUGSU-UHFFFAOYSA-N
rxn:4:222389:206912,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cnc1N(C)C1CCCC1,OQHFYFUMIZXDPZ-UHFFFAOYSA-N
rxn:4:222720:214135,CCN(CC)S(=O)(=O)c1c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)nc2n1CCOC2,KBKAXVWGCVDRPP-UHFFFAOYSA-N
rxn:4:222780:203917,Cc1ccc(C2=NC(=Cc3cccc(-c4cc(F)cc(C(=O)NCCN(C)C)c4)c3)C(=O)O2)cc1[N+](=O)[O-],BQEDMTUQXRFMAB-UHFFFAOYSA-N
rxn:4:223540:178616,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(Cl)o1,YWHUROOKHVERDX-UHFFFAOYSA-N
rxn:4:223540:208330,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1c(C(F)(F)F)ncn1C,NUGNOCVRWNBJKW-UHFFFAOYSA-N
rxn:4:223541:205222,CS(=O)(=O)Cn1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cn1,DQXYFOMAQKZRCD-UHFFFAOYSA-N
rxn:4:223590:214995,CCOC(=O)C1CCc2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)nnn2C1,UZSLSLPUVZAZHI-UHFFFAOYSA-N
rxn:5:176860:225514:225831,COC(=O)c1c(-c2cccc3c2OCC2(CC2)CO3)ccc(OC)c1-c1cnc(N2CCOCC2)c(C)c1,BKXFZMXZSUCLRV-UHFFFAOYSA-N
rxn:5:176860:226084:225832,COC(=O)c1c(-c2ccc3c(c2)C(=O)CCCC3)ccc(OC)c1-c1c(C)nn(C2CCCCO2)c1C,KNAJAHBHAXSOIK-UHFFFAOYSA-N
rxn:5:176862:225514:226029,CCOc1c(F)c(F)c(-c2c(-c3cccc4c3OCC3(CC3)CO4)ccc(C(=O)OC)c2OC)c(F)c1F,FDWQCBVCQSGGIM-UHFFFAOYSA-N
rxn:5:177181:225931:225871,Cc1cc(-c2ccc(C(=O)OC(C)C)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc(S(=O)(=O)N(C)C)c1,XITQUDRFKXKHIT-UHFFFAOYSA-N
rxn:5:177731:225833:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCCCC2)c1F,SBTKLHWCZQZMDU-UHFFFAOYSA-N
rxn:5:177736:226663:225633,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(N3CCSCC3)nc2)c1,USAAGYSRKSZPLK-UHFFFAOYSA-N
rxn:5:177738:225944:225447,COc1cc(-c2ccc(OC3CCCCC3)cc2)c(-c2c(F)cc(F)c(OC(C)C)c2F)cc1OC1CCC1,QEZMAYNYCUNBTP-UHFFFAOYSA-N
rxn:5:177738:226599:225447,CCOc1c(F)cc(-c2cc(OC3CCC3)c(OC)cc2-c2ccc(OC3CCCCC3)cc2)c(C)c1F,VXTPDIUVTLNVAA-UHFFFAOYSA-N
rxn:5:177738:226710:225447,COc1cc(-c2ccc(OC3CCCCC3)cc2)c(-c2ccc(F)c([Si](C)(C)C)c2F)cc1OC1CCC1,GIPQFUCMLGVPFO-UHFFFAOYSA-N
rxn:5:177738:226710:225452,COc1cc(-c2ccc(OC3C=CCCC3)cc2)c(-c2ccc(F)c([Si](C)(C)C)c2F)cc1OC1CCC1,VJTGNZDYNWGIPB-UHFFFAOYSA-N
rxn:5:177739:223056:225849,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1cnc(N2CCCCC2)cc1F,PLBZKBNDTKIWPP-UHFFFAOYSA-N
rxn:5:177739:225655:225816,CC1CCN(c2cncc(-c3cccc(C(=O)OC(C)(C)C)c3-c3cc(C4CC4)ccc3C(F)(F)F)c2)CC1,CSYYOSPZGVGADR-UHFFFAOYSA-N
rxn:5:177850:223010:225447,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCCCC2)cc1,PRUUADRWCHPONI-UHFFFAOYSA-N
rxn:5:177850:223010:225449,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(OC2CCCCC2)c1,QBDGCMMVBSJUJC-UHFFFAOYSA-N
rxn:5:177850:223010:225810,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,CMUFKDFBSCXTEE-UHFFFAOYSA-N
rxn:5:177850:223010:226145,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCCC2)cc1,DGZMHMIPNPFENM-UHFFFAOYSA-N
rxn:5:177850:223010:226913,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(CC)cc(C2CC2)c1,LDQHSOUFNFAICF-UHFFFAOYSA-N
rxn:5:177850:223202:225809,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(F)ccc1OC1CCOC1,JMBIOFAMUVBCAB-UHFFFAOYSA-N
rxn:5:177850:223202:225810,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,MMDDDPXSTAAADE-UHFFFAOYSA-N
rxn:5:177850:223203:225446,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1cc(C)cc(OC2CCCC2)c1,CLVGNQCXVMCQLS-UHFFFAOYSA-N
rxn:5:177850:223203:225809,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1cc(F)ccc1OC1CCOC1,XLZHOWIMHPDTLK-UHFFFAOYSA-N
rxn:5:177850:223203:225810,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,XALVYLWCXNRKEX-UHFFFAOYSA-N
rxn:5:177850:225446:223202,CCOc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,NPTAKPDZWWFGRQ-UHFFFAOYSA-N
rxn:5:177850:225446:223203,CCOc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,LFRDEWCCENALSD-UHFFFAOYSA-N
rxn:5:177850:225447:223010,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,YAWUGPWHUBPPJJ-UHFFFAOYSA-N
rxn:5:177850:225448:223010,CCOc1ccc(-c2cc(C)ccc2OC2CCCC2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,BVTPVSFIBZTMFT-UHFFFAOYSA-N
rxn:5:177850:225452:225810,CCOc1ccc(-c2ccc(OC3C=CCCC3)cc2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,LLMOQNKIOKDCCK-UHFFFAOYSA-N
rxn:5:177850:225810:223202,CCOc1ccc(-c2ccc(OC)cc2C2OCCO2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,IJYUEJHLJWEZKY-UHFFFAOYSA-N
rxn:5:177850:225810:223203,CCOc1ccc(-c2ccc(OC)cc2C2OCCO2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,JQCPVWONBHSVTR-UHFFFAOYSA-N
rxn:5:177850:226145:223010,CCOc1ccc(-c2ccc(OC3CCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,QFNPCACTIBOXKV-UHFFFAOYSA-N
rxn:5:177850:226744:227767,CCOc1ccc(-c2cnc(C(F)(F)F)c(CC)c2)c(C2OCCO2)c1-c1cn(CC)nc1C(F)(F)F,YGBBGDYDICUANO-UHFFFAOYSA-N
rxn:5:177850:226778:227766,CCOc1ccc(-c2cc(OC)c(OC)c(F)c2F)c(C2OCCO2)c1-c1cc(C(F)(F)F)nn1CC,GEQLIFIODKLWJX-UHFFFAOYSA-N
rxn:5:177850:226913:223010,CCOc1ccc(-c2cc(CC)cc(C3CC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,JIPWFKQUKFMQQC-UHFFFAOYSA-N
rxn:5:177850:228100:226837,CCCn1nc(C)c(-c2ccc(OCC)c(-c3c(C)nn(CC(F)(F)F)c3C)c2C2OCCO2)c1C,BPKRJWMMPAMVSL-UHFFFAOYSA-N
rxn:5:177851:222995:226971,CCOc1c(-c2cccc(N3CCCC(O)C3)c2)cc(C2OCCO2)cc1-c1ccc2c(c1)CCCOC2,OBZIVQWMZKSZBC-UHFFFAOYSA-N
rxn:5:177851:223002:226971,CCOc1c(-c2ccc3c(c2)CCCOC3)cc(C2OCCO2)cc1-c1ccc(C2CCNCC2)cc1F,NKOUYKGHXRKLBR-UHFFFAOYSA-N
rxn:5:177851:223139:223143,CCOc1c(-c2ccc(C3CCNCC3)nc2)cc(C2OCCO2)cc1-c1cccc(N2CCC(O)C2)c1,KIZNZCBPWCKHAM-UHFFFAOYSA-N
rxn:5:177891:223340:226059,CC(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)NCCO3)c(C(C)C)c1,WYEKUMNJZDHMLN-UHFFFAOYSA-N
rxn:5:177891:226900:227107,Cc1cc(C2CC2)c(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1,RWBUDKSMOJBCBD-UHFFFAOYSA-N
rxn:5:177891:226901:227117,Cc1cc(C2CC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1F,JXRFZDVEXJRNHO-UHFFFAOYSA-N
rxn:5:177891:226901:227788,O=C(SC1CS(=O)(=O)CC1c1cc(C(F)(F)F)cnc1F)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,WIZLEZIAXSAZJE-UHFFFAOYSA-N
rxn:5:177891:227679:226732,N#Cc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)OC(F)(F)O3)cc1C(F)(F)F,ZBKKIGLRYGXTPJ-UHFFFAOYSA-N
rxn:5:177891:227838:226900,Cc1ccc(C2CC2)c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)c1,BARABQIYISSWOH-UHFFFAOYSA-N
rxn:5:177891:228016:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cc(C2CCCC2)cs1,CZQBLVJDUDUZML-UHFFFAOYSA-N
rxn:5:177891:228062:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cncc2c1CCCO2,ILICWVNLMDNDCP-UHFFFAOYSA-N
rxn:5:177891:228501:227390,Cn1ncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnn2C2CCCCC2)c1C(F)(F)F,NVMMIQILCXDPBB-UHFFFAOYSA-N
rxn:5:177891:228563:226739,CC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(CC(C)C)cs2)cc1[N+](=O)[O-],LJUBBXXOQGRSEY-UHFFFAOYSA-N
rxn:5:177891:228653:227766,CCn1nc(C(F)(F)F)cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cnn2c1CCCC2,ZTJDGXLBBFJEMB-UHFFFAOYSA-N
rxn:5:177891:229049:225926,O=C(SC1CS(=O)(=O)CC1c1ccc(S(=O)(=O)N2CCC2)cc1)c1ccccc1-c1cnc2n1CCC2,OKDRVHWZXSQFPG-UHFFFAOYSA-N
rxn:5:177970:226593:225453,CC(C)Oc1ccc(F)c(-c2cc(OCC3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2)c1F,PTGNVZXAIYHFKY-UHFFFAOYSA-N
rxn:5:178117:222993:227303,CN(C)Cc1cccc(-c2ccc(-c3cccc(N4CCCCC4O)c3)cc2OCC2CCOCC2)c1F,JRUYABXQFVHMSV-UHFFFAOYSA-N
rxn:5:178117:225407:223202,OC1(c2ccc(-c3ccc(-c4ccc(C5CCCCCC5)cc4)cc3OCC3CCOCC3)cc2)CCC1,NRRZSZLYQQJPPM-UHFFFAOYSA-N
rxn:5:178117:227303:225440,CN(C)Cc1cccc(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)c(OCC3CCOCC3)c2)c1F,FWPKQVSPBFIEFO-UHFFFAOYSA-N
rxn:5:178118:225832:228417,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)c(C(F)F)c2)cc1OCC1CCCCO1,IQDHFMUDZFNNAW-UHFFFAOYSA-N
rxn:5:178118:226899:227386,O=[N+]([O-])c1ccc(-c2ccc(-c3cnn(C4CCCCC4)c3)cc2OCC2CCCCO2)c([N+](=O)[O-])c1,GKCYYBWUXYYDFB-UHFFFAOYSA-N
rxn:5:178119:226837:223389,Cc1cc(C(=O)OC(C)(C)C)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1-c1c(C)n[nH]c1C(F)(F)F,GHRYNQDYOZCOFH-UHFFFAOYSA-N
rxn:5:178120:223203:225515,CC1(C)COc2cccc(-c3c(OCC4CCOCC4)cccc3-c3cccc(C4(O)CCC4)c3)c2OC1,BINSVBGCVRACGU-UHFFFAOYSA-N
rxn:5:178122:223010:226464,COc1ccc2c(c1-c1cc(-c3ccc(C4(O)CCOCC4)cc3)ccc1COC1CCCCO1)OCCO2,NVOMWMZUOVFUCA-UHFFFAOYSA-N
rxn:5:178122:223010:227301,CN(C)Cc1cc(F)ccc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1COC1CCCCO1,IRLVMWSIDPEFRV-UHFFFAOYSA-N
rxn:5:178122:223010:227592,COc1cc(F)cc(-c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2COC2CCCCO2)c1OC,JIFYZDQTLAWDQN-UHFFFAOYSA-N
rxn:5:178122:225394:227562,COc1ccc(F)c(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1OC,NQBSHILHCAWHCC-UHFFFAOYSA-N
rxn:5:178122:225445:227361,COc1cc(-c2cc(-c3ccccc3OC3CCCCC3)ccc2COC2CCCCO2)c(OC)cc1C,SNAMKRVZQADJKH-UHFFFAOYSA-N
rxn:5:178122:225446:227574,COc1c(F)ccc(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2COC2CCCCO2)c1OC,VYOMVIWATSPIBE-UHFFFAOYSA-N
rxn:5:178122:225447:227361,COc1cc(-c2cc(-c3ccc(OC4CCCCC4)cc3)ccc2COC2CCCCO2)c(OC)cc1C,WYFVSAULOKWQLD-UHFFFAOYSA-N
rxn:5:178122:225449:227361,COc1cc(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2COC2CCCCO2)c(OC)cc1C,KEFHXFRVYRLVSE-UHFFFAOYSA-N
rxn:5:178122:225451:227561,COc1cc(F)c(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2COC2CCCCO2)cc1OC,RVXNWIUHSZRDPG-UHFFFAOYSA-N
rxn:5:178122:225452:227361,COc1cc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2COC2CCCCO2)c(OC)cc1C,OFOYFWHNCVCOIQ-UHFFFAOYSA-N
rxn:5:178122:225453:227574,COc1c(F)ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c1OC,CISINLZYPFHPAP-UHFFFAOYSA-N
rxn:5:178122:226464:223010,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c1)OCCO2,OUGQOUMYZUGJAV-UHFFFAOYSA-N
rxn:5:178122:226464:226464,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3c(OC)ccc4c3OCCO4)c1)OCCO2,BKVOLMGVELYVTE-UHFFFAOYSA-N
rxn:5:178122:227574:225452,COc1c(F)ccc(-c2ccc(COC3CCCCO3)c(-c3ccc(OC4C=CCCC4)cc3)c2)c1OC,OJTZNSJTAILYMB-UHFFFAOYSA-N
rxn:5:178122:227592:225447,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3ccc(OC4CCCCC4)cc3)c2)c1OC,PGRDXTWHDWAZIL-UHFFFAOYSA-N
rxn:5:178224:225661:223267,CNC(=O)c1ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(N4CCOCC4)cc3C)c2)cc1F,BFWHNJLFTFVNGR-UHFFFAOYSA-N
rxn:5:178224:226085:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3ccc4c(c3)CCC(C)(C)O4)c1)OCCO2,VHNNGQJUFUXCJY-UHFFFAOYSA-N
rxn:5:178225:222991:227301,CN(C)Cc1cc(F)ccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(N2CCCC(O)C2)cc1,PFAJSDFYQGEEIJ-UHFFFAOYSA-N
rxn:5:178225:225448:227561,COc1cc(F)c(-c2c(OCC3CCCCC3)cccc2-c2cc(C)ccc2OC2CCCC2)cc1OC,LJJCKKXPUMHFJB-UHFFFAOYSA-N
rxn:5:178225:226464:226179,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1cncc(C3CCCCC3)c1)OCCO2,DKOLEAANBTVIOQ-UHFFFAOYSA-N
rxn:5:178225:226605:226064,CC(C)Oc1cc(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCCCC3)cc2)cc1F,OKANMCSHUCVMAS-UHFFFAOYSA-N
rxn:5:178226:225448:227562,COc1ccc(F)c(-c2cccc(OCC3CCCCC3)c2-c2cc(C)ccc2OC2CCCC2)c1OC,IQXSUSQWOYTBAZ-UHFFFAOYSA-N
rxn:5:178226:225976:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cccc(OCC3CCCCC3)c2-c2ccnc(N3CCOCC3)c2F)c1,CLFLXOGNZWBELJ-UHFFFAOYSA-N
rxn:5:178295:222957:227082,COC(=O)C1(c2cc(-c3ccccc3N3CCCC3)ccc2-c2cc(C)cc(C3CCCNC3)c2)CCC(=O)CC1,CNZALMPKDODCPZ-UHFFFAOYSA-N
rxn:5:178295:223242:227091,COC(=O)C1(c2cc(-c3cncc(C4CCCC4)c3)ccc2-c2ccnc(C3CCNC3)c2)CCC(=O)CC1,FCGGBUIYPRMGAQ-UHFFFAOYSA-N
rxn:5:178295:228231:227330,COC(=O)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,UFOIBZAATBQGQD-UHFFFAOYSA-N
rxn:5:178314:223061:223061,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1cc(C2CCNCC2)ncc1F,HTSFAVUKMRGXLJ-UHFFFAOYSA-N
rxn:5:178314:223062:223062,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cnc(C2CCNCC2)cc1F,QGFKXLAVLASXHZ-UHFFFAOYSA-N
rxn:5:178315:225407:223286,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cccc(NS(C)(=O)=O)c2)c1,QQHLYPIHGQUYRO-UHFFFAOYSA-N
rxn:5:178315:226342:226068,COC(=O)c1c(C)cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3c(C)cc(C(C)(C)C)cc3C)c2)cc1C,YMUPWZNPUHZUBE-UHFFFAOYSA-N
rxn:5:178368:227102:225931,Cc1cc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C(C)(C)C)ccc4F)cc3C)cc2C)cc(S(=O)(=O)N(C)C)c1,UGUCDQCUNIPTFQ-UHFFFAOYSA-N
rxn:5:178466:225833:225633,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,SWHTYRTVKTXOPK-UHFFFAOYSA-N
rxn:5:178466:225980:225633,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,HNELTMXSLPKARR-UHFFFAOYSA-N
rxn:5:178467:225849:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,OEPSVNUSKSTYDE-UHFFFAOYSA-N
rxn:5:178467:225976:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NYBICVVHCOJXOG-UHFFFAOYSA-N
rxn:5:178467:225980:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,JJPBWEBJLWTYHP-UHFFFAOYSA-N
rxn:5:178467:226320:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,QQNRPFNHIQFGBK-UHFFFAOYSA-N
rxn:5:178467:226366:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,JXDGVVSNOBIMOX-UHFFFAOYSA-N
rxn:5:178467:226679:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,RDAWAAPQOYGEJF-UHFFFAOYSA-N
rxn:5:178467:227387:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,NIEDWLMAVLKBMK-UHFFFAOYSA-N
rxn:5:178467:228653:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnn4c3CCCC4)c2OC1,VZSGSHXFKNEIFN-UHFFFAOYSA-N
rxn:5:179629:225407:225440,COc1ccc(-c2ccc(C3CCCCCC3)cc2)c(S(C)(=O)=O)c1-c1ccc(C2(C#N)CCCC2)cc1,BLQMJYZWTKCAME-UHFFFAOYSA-N
rxn:5:179629:225810:225446,COc1ccc(-c2ccc(OC)c(-c3cc(C)cc(OC4CCCC4)c3)c2S(C)(=O)=O)c(C2OCCO2)c1,ZFTQOMNWRNOMQK-UHFFFAOYSA-N
rxn:5:179629:225810:225448,COc1ccc(-c2ccc(OC)c(-c3cc(C)ccc3OC3CCCC3)c2S(C)(=O)=O)c(C2OCCO2)c1,IXHTYFYMYKQSQS-UHFFFAOYSA-N
rxn:5:179629:225810:225625,COc1ccc(-c2ccc(OC)c(-c3cc(OC4CCCC4)ccc3F)c2S(C)(=O)=O)c(C2OCCO2)c1,OWMRNUSYTCTQAP-UHFFFAOYSA-N
rxn:5:180021:223056:226449,COc1c(-c2ccc(N3CCC(O)CC3)nc2)cc(C2OCCO2)cc1-c1ccccc1C1(C)OCCO1,WYWLDQZIPLLTDF-UHFFFAOYSA-N
rxn:5:180022:223010:222994,COc1c(-c2cccc(N3CCC(O)CC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,FCUBQLVMHRTPKH-UHFFFAOYSA-N
rxn:5:180022:223010:223147,COc1c(-c2ccc(C3CNCCO3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,OXEVUZQKWCEEMX-UHFFFAOYSA-N
rxn:5:180022:223010:225435,COc1c(-c2ccccc2CN2CCCCC2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,VNRZQPAOJSBZHH-UHFFFAOYSA-N
rxn:5:180022:223010:225451,COc1c(-c2ccc(SC3CCCCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,GFGLTPFMWBPPBE-UHFFFAOYSA-N
rxn:5:180022:223010:225809,COc1c(-c2cc(F)ccc2OC2CCOC2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,MBKHAQQTLDNMIY-UHFFFAOYSA-N
rxn:5:180022:223010:226084,COc1c(-c2ccc3c(c2)C(=O)CCCC3)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,NUUZOIWOPBEEOY-UHFFFAOYSA-N
rxn:5:180022:223010:226129,COc1c(-c2cccc(CN3CCCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,JLRJKFQGQLILRC-UHFFFAOYSA-N
rxn:5:180022:223010:226130,COc1c(-c2ccc(CN3CCCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,IIICIKCAAZTQDZ-UHFFFAOYSA-N
rxn:5:180022:223010:226131,COc1c(-c2ccccc2CN2CCCC2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,NZXJUPLFTPAHLJ-UHFFFAOYSA-N
rxn:5:180022:223010:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(C3OCCO3)c1OC)OCCO2,UYKUQDDCNVSWMY-UHFFFAOYSA-N
rxn:5:180022:223010:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,GOGMWYHRUOJLHV-UHFFFAOYSA-N
rxn:5:180022:223147:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CNCCO3)cc2)c1C1OCCO1,UCKWFRNIAZNULZ-UHFFFAOYSA-N
rxn:5:180022:225447:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2ccc(OC3CCCCC3)cc2)c1C1OCCO1,YWSTYWZILKDOCG-UHFFFAOYSA-N
rxn:5:180022:225449:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2cccc(OC3CCCCC3)c2)c1C1OCCO1,OFDJGSDDQGLSQO-UHFFFAOYSA-N
rxn:5:180022:225451:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(SC3CCCCC3)cc2)c1C1OCCO1,KRXTWWSJMRHVTI-UHFFFAOYSA-N
rxn:5:180022:225592:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(F)ccc2CN2CCCC2)c1C1OCCO1,RKJHOQWUTYCSLY-UHFFFAOYSA-N
rxn:5:180022:225594:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(F)cc2CN2CCCC2)c1C1OCCO1,SSJYXQSHTRNBRX-UHFFFAOYSA-N
rxn:5:180022:225617:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2ccc(OC3CCCCO3)cc2)c1C1OCCO1,YIENZYRPQXUOFJ-UHFFFAOYSA-N
rxn:5:180022:225618:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2cccc(OC3CCCCO3)c2)c1C1OCCO1,JPAAUXZZVTTYBQ-UHFFFAOYSA-N
rxn:5:180022:225622:226710,COc1c(-c2ccc(F)c([Si](C)(C)C)c2F)ccc(-c2ccccc2OC2CCCCO2)c1C1OCCO1,PXXVSMJEHWUKGU-UHFFFAOYSA-N
rxn:5:180022:225677:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,RSYJPQUROAZFAF-UHFFFAOYSA-N
rxn:5:180022:225809:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(F)ccc2OC2CCOC2)c1C1OCCO1,NIYGIOSUAOCLKM-UHFFFAOYSA-N
rxn:5:180022:225881:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,YYIFHMLMORRIIC-UHFFFAOYSA-N
rxn:5:180022:226067:226027,COc1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc(-c2ccc(C3=CCCCC3)cc2)c1C1OCCO1,SKJYKRPNGMLHDU-UHFFFAOYSA-N
rxn:5:180022:226130:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(CN3CCCC3)cc2)c1C1OCCO1,QEYPAAUVQBRFAW-UHFFFAOYSA-N
rxn:5:180022:226131:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccccc2CN2CCCC2)c1C1OCCO1,YXEDXLOCSBUHBT-UHFFFAOYSA-N
rxn:5:180022:226450:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)ccc(-c2cccc(C3(C)OCCO3)c2)c1C1OCCO1,GSEMRKPOPMQNKJ-UHFFFAOYSA-N
rxn:5:180203:225618:226848,COc1ccc(-c2cc(OC3CCOCC3)cc(-c3cccc(OC4CCCCO4)c3)c2)c(C(F)(F)F)n1,YRZWSDYBCOKHDQ-UHFFFAOYSA-N
rxn:5:180297:225452:225808,COc1cc(-c2ccc(OC3C=CCCC3)cc2)c(C2(C)OCCO2)cc1-c1cc(OC2CCCC2)ncc1F,QLYBZTPWEZFWFR-UHFFFAOYSA-N
rxn:5:180297:225587:222991,COc1cc(-c2cccc(CN3CCOCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(N2CCCC(O)C2)cc1,BKANEKVULJJEBH-UHFFFAOYSA-N
rxn:5:180297:225587:225925,COc1cc(-c2cccc(CN3CCOCC3)c2)c(C2(C)OCCO2)cc1-c1cc(S(=O)(=O)N(C)C)ccc1C,BWASNIHHOBHCAL-UHFFFAOYSA-N
rxn:5:180297:225594:227205,COc1cc(-c2ccc(F)cc2CN2CCCC2)c(C2(C)OCCO2)cc1-c1cccc2c1OCCCO2,BJCAEBCFRFKPPC-UHFFFAOYSA-N
rxn:5:180297:225884:225611,COc1cc(N2CCCC2)ccc1-c1cc(C2(C)OCCO2)c(-c2ccc(C3COCCO3)c(F)c2)cc1OC,KJYSGRJBTNYXCA-UHFFFAOYSA-N
rxn:5:180297:225926:227320,COc1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(C2(C)OCCO2)cc1-c1c(OC)cccc1N(C)C,TUCIBXUFTZMIMR-UHFFFAOYSA-N
rxn:5:180297:226197:226875,COc1cc(-c2ccc(C3CCCOC3)cc2)c(C2(C)OCCO2)cc1-c1cc(F)c(OC(F)F)cc1F,MMSOAEIDASCEGO-UHFFFAOYSA-N
rxn:5:180297:226731:226338,COc1cc(-c2ccccc2S(=O)(=O)N(C)C)c(C2(C)OCCO2)cc1-c1ccnc(OC2CCCC2)c1,PIJDAIHAYOOAOG-UHFFFAOYSA-N
rxn:5:180402:225925:226915,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)C2CCCCC2)c(-c2ccc(C3CCCC3)cc2)c1,GQZMUKCENZCDRQ-UHFFFAOYSA-N
rxn:5:180402:226900:226901,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1cccc(S(F)(F)(F)(F)F)c1)C1CCCCC1,XHCGHZVBAWSQHE-UHFFFAOYSA-N
rxn:5:180422:225812:225446,Cc1cc(OC2CCCC2)cc(-c2cc(CC3CCCCC3)ccc2-c2cc(C)c(F)c(OC(C)C)c2F)c1,CENLLINRFGFFIZ-UHFFFAOYSA-N
rxn:5:180506:225448:223388,Cc1ccc(OC2CCCC2)c(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2ccc(S(=O)(=O)O)cc2)c1,ZCXLOOWXABCATQ-UHFFFAOYSA-N
rxn:5:180506:225452:228456,COc1nc(SC)ncc1-c1c(-c2ccc(OC3C=CCCC3)cc2)cc(C(C)(C)C)cc1C1OCCO1,YSLDBCCBAXQGMU-UHFFFAOYSA-N
rxn:5:180602:225834:223064,COC(=O)C1Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cc(N4CCCCC4)ncc3F)c2O1,JCBGVRMIYWUXAZ-UHFFFAOYSA-N
rxn:5:180602:225980:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(N4CCOCC4)ncc3F)c2O1,MBVNAVSFIDSUMN-UHFFFAOYSA-N
rxn:5:180602:226664:223056,COC(=O)C1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cc(N4CCCC4)ncc3F)c2O1,ZAVSLFHETILYOM-UHFFFAOYSA-N
rxn:5:180662:225982:227020,COC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,JGLGVDANPFEGMF-UHFFFAOYSA-N
rxn:5:181908:223010:225591,Cc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cc(CN3CCCC3)ccc2F)cc1C1OCCO1,BRCCRDGEUWOFFN-UHFFFAOYSA-N
rxn:5:182010:223010:225810,COc1ccc(-c2ccc(C3CCOCC3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)c(C2OCCO2)c1,ATKJZFWNJOANOE-UHFFFAOYSA-N
rxn:5:183227:226054:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc2c1OCCC2(C)C,WEGRMQHANNUVPA-UHFFFAOYSA-N
rxn:5:188374:225832:226652,COC(=O)Cc1cc(-c2cc(C)nn2C2CCCCO2)ncc1-c1c(C)nn(C2CCCCO2)c1C,GTHQVSWHUUXRGK-UHFFFAOYSA-N
rxn:5:188461:226215:225927,CO/N=C1\CCc2cc(-c3cc([N+](=O)[O-])cc(C(=O)OC)c3-c3cc(C(F)(F)F)ccc3N(C)C)ccc21,MZEGCURULGIDBB-UQRQXUALSA-N
rxn:5:188616:225937:226054,CCOc1cc(-c2cc(C(F)(F)F)ncc2C(C)C)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1[N+](=O)[O-],MZOIZKOEAVTOLB-UHFFFAOYSA-N
rxn:5:188632:225832:226845,COC(=O)c1nc(OC)c(-c2c(C)nn(C3CCCCO3)c2C)cc1-c1cc(C(F)(F)F)cnc1OC,YBLCEJKUPXDPEC-UHFFFAOYSA-N
rxn:5:188868:225986:225986,CC(C)OC(=O)c1ccnc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O,VNVOMEUUGJTCEU-UHFFFAOYSA-N
rxn:5:188876:225639:222994,CON(C)C(=O)c1cccc(-c2cccnc2N2CCC(C)CC2)c1-c1cccc(N2CCC(O)CC2)c1,HMLVIDFVXSUBAW-UHFFFAOYSA-N
rxn:5:189207:225620:229168,COc1nc(C)sc1-c1ccc(-c2ccc(OC3CCOCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,WFRLIBNMRYSXPP-UHFFFAOYSA-N
rxn:5:189207:225873:223423,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1cccc(C=NO)c1,IIGSHRDLIOLZJW-UHFFFAOYSA-N
rxn:5:189207:225926:227505,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1-c1ccc(/C=C/[N+](=O)[O-])cc1,XHNNXYNOSFJVAJ-SAPNQHFASA-N
rxn:5:189207:225926:229091,CC(=O)c1occc1-c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,PWFKHCOJOSQXKN-UHFFFAOYSA-N
rxn:5:189207:226186:228460,COc1ncnc(OC)c1-c1ccc(-c2ccccc2C2CCOCC2)cc1C(=O)ON1C(=O)CCC1=O,NUONWHNWKQGPKN-UHFFFAOYSA-N
rxn:5:189207:226415:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,NGKLRQKLJHPVQT-OUKQBFOZSA-N
rxn:5:189207:226452:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)ccc1-c1ccccc1N1CCOCC1,JYXDFAREIAHNBO-UHFFFAOYSA-N
rxn:5:189207:226763:227203,COC(=O)c1c(F)cc(-c2ccc(-c3ccc4c(c3)OCCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)cc1F,DWLOZCQCACNGMI-UHFFFAOYSA-N
rxn:5:189207:226837:227738,Cc1cnc(C(F)(F)F)cc1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)cc1C(=O)ON1C(=O)CCC1=O,NJIILNHTGINJKB-UHFFFAOYSA-N
rxn:5:189207:226839:228318,COC(=O)c1ccncc1-c1ccc(-c2cc(C(F)(F)F)ncc2C#N)cc1C(=O)ON1C(=O)CCC1=O,KOFQXEVUKCACFE-UHFFFAOYSA-N
rxn:5:189207:226886:228499,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1C(=O)ON1C(=O)CCC1=O,FARFFFSJUSXJLP-UHFFFAOYSA-N
rxn:5:189207:226969:226319,O=C1CCCc2cc(-c3ccc(-c4ccc(C(=O)N5CCC5)cc4)c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,PBZDORTYPNQTCS-UHFFFAOYSA-N
rxn:5:189207:227080:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCCC3)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,FSKKXJRGAGVPQQ-UHFFFAOYSA-N
rxn:5:189207:227095:227505,O=C1CC(c2ccc(-c3ccc(-c4ccc(/C=C/[N+](=O)[O-])cc4)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)C1,QNALPGDWLQQNKI-BUHFOSPRSA-N
rxn:5:189207:227203:226900,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OCCCO3)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,NHAYZROIKFTTEQ-UHFFFAOYSA-N
rxn:5:189207:227205:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(-c2cccc3c2OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,ZOLNVSFOJDUFEY-UHFFFAOYSA-N
rxn:5:189207:227340:227386,COC(=O)c1cc(-c2ccc(-c3cnn(C4CCCCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1C,QGSMLLNGHYDAIH-UHFFFAOYSA-N
rxn:5:189207:227680:227543,COC(=O)c1cc(-c2ccc(-c3cccc4c3OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)ccc1F,YVVODSQBCHLQAC-UHFFFAOYSA-N
rxn:5:189207:227804:227829,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1-c1ccccc1C1CCC1,FWQKUQAYPHWBFE-UHFFFAOYSA-N
rxn:5:189207:228002:226332,O=C(ON1C(=O)CCC1=O)c1cc(-c2sccc2C2CCCC2)ccc1-c1ccccc1C(=O)N1CCC1,TUNURYCAKYMSMB-UHFFFAOYSA-N
rxn:5:189207:228201:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cnc(C3CCC3)nc2)cc1C(=O)ON1C(=O)CCC1=O,QICGNUXLEUBJFV-UHFFFAOYSA-N
rxn:5:189207:228872:225873,COC(=O)c1sccc1-c1ccc(-c2cccc(N3CCOCC3=O)c2)c(C(=O)ON2C(=O)CCC2=O)c1,KIEGROWYLWKCHC-UHFFFAOYSA-N
rxn:5:189207:229091:222994,CC(=O)c1occc1-c1ccc(-c2cccc(N3CCC(O)CC3)c2)c(C(=O)ON2C(=O)CCC2=O)c1,DBFQAHFFQIHKPK-UHFFFAOYSA-N
rxn:5:189208:222992:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCCCC3O)cc2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,LGJAEPABZOUEDD-UHFFFAOYSA-N
rxn:5:189208:225616:228895,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccc([N+](=O)[O-])cc1,QUJRDPVBWUWTBO-UHFFFAOYSA-N
rxn:5:189208:225874:229168,COc1nc(C)sc1-c1cc(-c2ccc(F)c(N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RHECRINZQCUWHT-UHFFFAOYSA-N
rxn:5:189208:225986:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccccc1C(=O)N1CCCC1,NJZLYMJBXNZCHM-UHFFFAOYSA-N
rxn:5:189208:226064:228174,CC(=O)Oc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,WMXZFBLWWNEYAG-UHFFFAOYSA-N
rxn:5:189208:226837:229092,Cc1nn(C)c(C)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1C(=O)ON1C(=O)CCC1=O,JXTOUTIJSMGAKK-UHFFFAOYSA-N
rxn:5:189208:227183:226185,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C5CCOCC5)cc4)c3)ccc2C1=O,VSLVQDCMWQAOAS-UHFFFAOYSA-N
rxn:5:189208:227203:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1-c1ccc(S(=O)(=O)N2CCC2)cc1,HVDNBSLSAUWFCU-UHFFFAOYSA-N
rxn:5:189208:227205:227531,COC(=O)c1cc(F)cc(-c2cc(-c3cccc4c3OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c1,CKWJWRQLFYONCF-UHFFFAOYSA-N
rxn:5:189208:227501:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)cc1-c1cccc(C2CCOCC2)c1,CHUQVQBGGQIRDH-UHFFFAOYSA-N
rxn:5:189208:227610:227544,COC(=O)c1ccc(F)cc1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1C(=O)ON1C(=O)CCC1=O,ZPVCFMSRNQIBIT-UHFFFAOYSA-N
rxn:5:189208:227682:223146,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CNCCO4)c3)c2)cc([N+](=O)[O-])c1,KXIRIAFNGLUSKC-UHFFFAOYSA-N
rxn:5:189208:227863:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)CCCO3)cc1-c1cccc(N2C(=O)C=CC2=O)c1,RFZDSWDBMXPSAX-UHFFFAOYSA-N
rxn:5:189208:228201:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cnc(C3CCC3)nc2)ccc1C(=O)ON1C(=O)CCC1=O,XISQZWPZYODBSC-UHFFFAOYSA-N
rxn:5:189208:228603:225584,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C(=O)N4CCCC4)cc3)c2)c1,KHNRQAXOVCFDBO-UHFFFAOYSA-N
rxn:5:189208:228894:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1-c1cccc(C(=O)N2CCCC2)c1,VHFMIQUXCXUGGS-UHFFFAOYSA-N
rxn:5:189209:225616:227870,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)CC3)cc(-c2ccccc2C(=O)N2CCCC2)c1,NYNABFARXOJKAK-UHFFFAOYSA-N
rxn:5:189209:226053:228529,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)CCO3)cc(-c2ccc(F)c(OC(F)(F)F)c2F)c1,AEMFSLKWKAWFGV-UHFFFAOYSA-N
rxn:5:189209:226064:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2cccc3c2C(=O)CCC3)c1,UUVUUGHYGVVELO-UHFFFAOYSA-N
rxn:5:189209:226452:228467,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4OCCCO4)cc3)c2)c(F)s1,LHTBWAKVAJPQPL-UHFFFAOYSA-N
rxn:5:189209:227203:227673,CC(F)(F)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)OCCCO4)c2)c1F,XBGLZJHKMSIVSP-UHFFFAOYSA-N
rxn:5:189209:227207:227207,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCC3=O)cc(-c2cccc3c2OCCC3=O)c1,AUILCSIHPXGEQV-UHFFFAOYSA-N
rxn:5:189209:228077:225868,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)cc(-c2ccc3c(c2)C(=O)OC3)c1,WRLHADOSTPNOTO-UHFFFAOYSA-N
rxn:5:189209:228079:227449,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)s2)cc(-c2cccc3c2COC3=O)c1,GZWXTYNPXXVSIH-UHFFFAOYSA-N
rxn:5:189209:228318:225465,COC(=O)c1ccncc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(C3CCN(C)CC3)c2)c1,BZKNJZRAMDRFES-UHFFFAOYSA-N
rxn:5:189210:225437:229168,COc1nc(C)sc1-c1cccc(-c2cccc(CN3CCCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,GLCZIGMAQMXYSC-UHFFFAOYSA-N
rxn:5:189210:225461:229091,CC(=O)c1occc1-c1cccc(-c2ccc(N3CCCCC3)cc2C)c1C(=O)ON1C(=O)CCC1=O,PGKWTVRVXZZUTD-UHFFFAOYSA-N
rxn:5:189210:225583:227452,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)cccc1-c1cccc(C2OCCO2)c1,PNMRHYJKRICELS-UHFFFAOYSA-N
rxn:5:189210:225871:227825,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C3CCC3)c2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,ZFRYXZBFGZQQKY-UHFFFAOYSA-N
rxn:5:189210:225988:228872,COC(=O)c1sccc1-c1cccc(-c2c(F)cc(C3OCCO3)cc2F)c1C(=O)ON1C(=O)CCC1=O,YVVNNGWBSOMHLO-UHFFFAOYSA-N
rxn:5:189210:226035:228071,COc1ccc(C(F)(F)F)c(F)c1-c1cccc(-c2cccc3c2OCCO3)c1C(=O)ON1C(=O)CCC1=O,CEWMAAOAFBXKNU-UHFFFAOYSA-N
rxn:5:189210:226333:227446,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3OCCO3)cc2)cccc1-c1cccc(C(=O)N2CCC2)c1,DJIJZMUKWPGACB-UHFFFAOYSA-N
rxn:5:189210:226582:228180,COCc1cc(-c2cccc(-c3ccc(C(=O)N(C)C)cc3F)c2C(=O)ON2C(=O)CCC2=O)ccc1F,UQVQZHZLTOATFJ-UHFFFAOYSA-N
rxn:5:189210:226652:227569,COc1ccc(F)c(OC)c1-c1cccc(-c2cc(C)nn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,KEQLZNDPFBRIGP-UHFFFAOYSA-N
rxn:5:189210:226739:227680,CC(=O)c1ccc(-c2cccc(-c3cccc4c3OC(F)(F)O4)c2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],QOWWIMKAZVDOCK-UHFFFAOYSA-N
rxn:5:189210:226749:227863,COc1cccc(C(F)(F)F)c1-c1cccc(-c2ccc3c(c2)CCCO3)c1C(=O)ON1C(=O)CCC1=O,XLJVMDUNPLOBSU-UHFFFAOYSA-N
rxn:5:189210:226772:227205,COC(=O)c1cc(F)c(-c2cccc(-c3cccc4c3OCCCO4)c2C(=O)ON2C(=O)CCC2=O)c(F)c1,PXHRPGOKXCUAIN-UHFFFAOYSA-N
rxn:5:189210:227095:227804,O=C1CC(c2ccc(-c3cccc(-c4cc([N+](=O)[O-])sc4[N+](=O)[O-])c3C(=O)ON3C(=O)CCC3=O)cc2)C1,MADMUOADBQWGLQ-UHFFFAOYSA-N
rxn:5:189210:228078:226413,O=C1OCc2cc(-c3cccc(-c4cccc(N5CCOCC5)c4)c3C(=O)ON3C(=O)CCC3=O)ccc21,XUXSHEJODXQPAV-UHFFFAOYSA-N
rxn:5:189210:228151:226452,COC(=O)c1cccc(-c2cccc(-c3ccc(C4OCCCO4)cc3)c2C(=O)ON2C(=O)CCC2=O)c1,YOOJRRORKJZGEU-UHFFFAOYSA-N
rxn:5:189210:228974:226575,CN(C)C(=O)c1ccc(-c2cccc(-c3cnn(S(C)(=O)=O)c3)c2C(=O)ON2C(=O)CCC2=O)cc1F,XAYLUSJBJWGBAK-UHFFFAOYSA-N
rxn:5:189211:225583:229016,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1-c1ccsc1C1CC1,DMOCPAXVMLKERQ-UHFFFAOYSA-N
rxn:5:189211:225616:228078,O=C1OCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccccc3C(=O)N3CCCC3)ccc21,BIJYAJJSRXAEEV-UHFFFAOYSA-N
rxn:5:189211:225817:228493,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1-c1cc(F)c(F)c(F)c1F,BHRYFGXFAPFEOM-UHFFFAOYSA-N
rxn:5:189211:225871:225584,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc(C(=O)N2CCCC2)cc1,MPLHZGARBVTFSE-UHFFFAOYSA-N
rxn:5:189211:226980:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1cccc(N2CCOCC2=O)c1,BBDBNIZNLQLHLH-UHFFFAOYSA-N
rxn:5:189211:227095:226466,CN1C(=O)COc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C4CC(=O)C4)cc3)ccc21,GSEWNBAXIVZLQH-UHFFFAOYSA-N
rxn:5:189211:227205:227103,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2OCCCO3)c1-c1sccc1C1CCCCC1,JIWPRNNVRRASJU-UHFFFAOYSA-N
rxn:5:189211:227446:225616,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3OCCO3)cc2)c1-c1ccccc1C(=O)N1CCCC1,WVYZFCCBMOTWGQ-UHFFFAOYSA-N
rxn:5:189211:227451:226899,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CC3(F)F)cc2)c1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],PBTNOXBBNCPSDL-UHFFFAOYSA-N
rxn:5:189211:227501:228002,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1sccc1C1CCCC1,OHQRQZMQRMPPAC-UHFFFAOYSA-N
rxn:5:189211:227680:227764,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2OC(F)(F)O3)c1-c1cc(F)c(C(F)F)c(F)c1,WANBXLBKRLSNAL-UHFFFAOYSA-N
rxn:5:189211:227783:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc([N+](=O)[O-])c(F)cc2F)c1-c1ccccc1C1CCOCC1,JDDJHBAEHYAQJV-UHFFFAOYSA-N
rxn:5:189211:228870:226413,COC(=O)c1csc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccc(N3CCOCC3)c2)c1,IZMGFCREIJHKBR-UHFFFAOYSA-N
rxn:5:189211:228893:222982,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1-c1ccc(CN2CC[C@@H](O)C2)cc1,XGZOCVYHIVJGPN-JOCHJYFZSA-N
rxn:5:189211:228894:223010,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1-c1ccc(C2(O)CCOCC2)cc1,AWRMJAHDDRWPEH-UHFFFAOYSA-N
rxn:5:189212:225871:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,MYXXUALNKKOVTB-UHFFFAOYSA-N
rxn:5:189212:225873:227081,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCCC3)cc2)c(-c2cccc(N3CCOCC3=O)c2)c1,FYMZQEKRXMQNOQ-UHFFFAOYSA-N
rxn:5:189212:226036:227362,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(C(F)(F)F)cc(F)c1OC,URSBYYAOKZJTHL-UHFFFAOYSA-N
rxn:5:189212:226084:226739,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)CCCC3)cc1[N+](=O)[O-],DPPWLJNSJKEJGS-UHFFFAOYSA-N
rxn:5:189212:226084:228870,COC(=O)c1csc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)CCCC3)c1,IBPWZKXNFMVTOJ-UHFFFAOYSA-N
rxn:5:189212:226186:228869,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C2CCOCC2)cs1,LGQCZIRZHXEHBS-UHFFFAOYSA-N
rxn:5:189212:226211:226969,CC(=O)N1CCc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc4c(c3)CCCC4=O)ccc21,HIVRKRPHUSXFCZ-UHFFFAOYSA-N
rxn:5:189212:226211:228241,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)CCN3C(C)=O)ccc1F,ACGVOCWANGPYNR-UHFFFAOYSA-N
rxn:5:189212:226319:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)c(-c2ccc(C(=O)N3CCC3)cc2)c1,LOPWCGQSOOEPEW-UHFFFAOYSA-N
rxn:5:189212:226332:228488,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)cc2[N+](=O)[O-])c(-c2ccccc2C(=O)N2CCC2)c1,GPCZKYQACYIFDU-UHFFFAOYSA-N
rxn:5:189212:226415:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2ccccc2N2CCOCC2)c1,JBEFTSFRCVKVDM-BUHFOSPRSA-N
rxn:5:189212:226415:228151,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2N2CCOCC2)c1,AMYFUJDVOROZJN-UHFFFAOYSA-N
rxn:5:189212:226447:228149,COC(=O)c1ccccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(C2CCOCC2)c1,SHSUSLSSOALKNP-UHFFFAOYSA-N
rxn:5:189212:226739:226084,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)C(=O)CCCC3)cc1[N+](=O)[O-],IQQNWCKFXXYEQS-UHFFFAOYSA-N
rxn:5:189212:226900:222993,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCCCC3O)c2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,SEFXBQAJKFOYMY-UHFFFAOYSA-N
rxn:5:189212:226900:227764,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)c(C(F)F)c(F)c2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,YQRBPFGEDXQXFI-UHFFFAOYSA-N
rxn:5:189212:227095:226739,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CC(=O)C3)cc2)cc1[N+](=O)[O-],ICLNRZFYLIEQDV-UHFFFAOYSA-N
rxn:5:189212:227203:225986,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccc3c(c2)OCCCO3)c1,UEZQQIRFPPCRED-UHFFFAOYSA-N
rxn:5:189212:227205:227528,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)cc1F,RTWXPXCMUOEBMB-UHFFFAOYSA-N
rxn:5:189212:227357:226969,CCC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)CCCC3=O)ccc1F,QTDHLNBWJNGTEJ-UHFFFAOYSA-N
rxn:5:189212:227446:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(C3OCCO3)cc2)c1,UVWCYHWHKVOETF-UHFFFAOYSA-N
rxn:5:189212:227656:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)c(-c2cc(N3CCOCC3)cs2)c1,FPXJZPAVBOMKDC-UHFFFAOYSA-N
rxn:5:189212:227680:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cccc3c2OC(F)(F)O3)c1,DLWGHSSOZQLZDT-UHFFFAOYSA-N
rxn:5:189212:227870:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc2c(c1)C(=O)CC2,PNQVQOACGFJDJZ-UHFFFAOYSA-N
rxn:5:189212:227992:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccc(C3COC3)cc2)c1,YSPZYGNHKLXFHZ-UHFFFAOYSA-N
rxn:5:189212:228016:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)c(-c2cc(C3CCCC3)cs2)c1,WHVOZHLVKZFBOJ-UHFFFAOYSA-N
rxn:5:189212:228066:226150,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CCCC3)c2)c(-c2ccc3c(c2)OCCO3)c1,SGORTMMDHORDPE-UHFFFAOYSA-N
rxn:5:189212:228149:227657,COC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCOCC2)s1,JXOOIQOMVPHQLU-UHFFFAOYSA-N
rxn:5:189212:228174:225616,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2C(=O)N2CCCC2)cc1,WCWBOVQZSBUTML-UHFFFAOYSA-N
rxn:5:189212:228510:225871,CC(C)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,IGMBBABLCCTVHU-UHFFFAOYSA-N
rxn:5:189212:228866:226084,COCc1noc(C)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc2c(c1)C(=O)CCCC2,ZMTCEJLGQVOUDA-UHFFFAOYSA-N
rxn:5:189212:229086:225584,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C(=O)N3CCCC3)cc2)s1,KKCCPDNJNCAIMD-UHFFFAOYSA-N
rxn:5:189212:229088:225616,CC(=O)c1csc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2C(=O)N2CCCC2)c1,KHSNGRQMUADYNN-UHFFFAOYSA-N
rxn:5:189212:229091:226652,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(C)nn1C1CCCCO1,CPHHOGVAGOHQPV-UHFFFAOYSA-N
rxn:5:189540:223010:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)cc1CN1CC(OC)C1)OCCO2,MYFIUGUWITVZCC-UHFFFAOYSA-N
rxn:5:189540:225810:223010,COc1ccc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CN3CC(OC)C3)c2)c(C2OCCO2)c1,OEZFKTAWGOVAEF-UHFFFAOYSA-N
rxn:5:189662:225447:227299,CN(C)Cc1cc(F)cc(-c2ncc(-c3ccc(OC4CCCCC4)cc3)cc2OCC2CCOCC2)c1,PMRLJZLUJQQTJV-UHFFFAOYSA-N
rxn:5:189665:225930:225802,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cnc(OCC3CCOCC3)c(-c3ccc(OC4CCCC4)nc3F)c2)c1,UCCHVWMHDXYDIS-UHFFFAOYSA-N
rxn:5:189665:226450:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2cccc(C3(C)OCCO3)c2)cnc1OCC1CCOCC1,NLTWBVKLIMYPAN-UHFFFAOYSA-N
rxn:5:189666:226837:228499,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cc(C(F)(F)F)nn1C,RRCRNZPAVGIGBX-WVGSEGTJSA-N
rxn:5:189667:226843:225514,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C(=O)C(F)(F)F)nc2)cc(-c2cccc3c2OCC2(CC2)CO3)c1,RDZUGBFCBXIQCP-FLJCCZPPSA-N
rxn:5:189669:225589:226431,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(N3CCCC3)c(F)c2)c1,HFDQMGSEKNGQDK-PPOKSSTKSA-N
rxn:5:189669:227119:226895,CC(C)(C)S(=O)/N=C/c1ccc(-c2cc(C3CCCCC3)cs2)c(-c2cc(F)c(C(F)(F)F)cc2F)c1,FOFSHQDSGOWFTP-PUHLOBNQSA-N
rxn:5:189674:226338:226414,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1-c1ccnc(OC2CCCC2)c1,JJYZUGIYJNDFRD-KEIPNQJHSA-N
rxn:5:189675:223389:226837,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)cc1/C=N/S(=O)C(C)(C)C,LXWKFGZOYVBUBQ-WXMAUWIXSA-N
rxn:5:189718:225935:228572,Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1C#N,GLIZTPADGYVLLL-UHFFFAOYSA-N
rxn:5:189826:223389:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCOCC2)c(-c2c(C)n[nH]c2C(F)(F)F)c1,FVKCWXOYHPDJOZ-UHFFFAOYSA-N
rxn:5:189827:226743:223241,CCc1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cncc(C3CCNC3)c2)cc(C(F)(F)F)n1,IOWXROURFJZEIA-UHFFFAOYSA-N
rxn:5:189908:225446:223010,Cc1cc(OC2CCCC2)cc(-c2cnc(-c3ccc(C4(O)CCOCC4)cc3)c(OCC3CCCCC3)c2)c1,RUNAGCYTGTYNCP-UHFFFAOYSA-N
rxn:5:189908:226027:225657,Cc1cc(-c2ncc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc2OCC2CCCCC2)ccc1N1CCOCC1,PTVINONKIYFEQR-UHFFFAOYSA-N
rxn:5:189908:226027:226446,Cc1nc(C2CCOC2)ccc1-c1ncc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1OCC1CCCCC1,XZEJSNAIDSWSTJ-UHFFFAOYSA-N
rxn:5:189909:226664:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cc(N3CCCC3)ncc2F)c(CCN2CCOCC2)c1,DCVPOKCNILXUCT-UHFFFAOYSA-N
rxn:5:189910:225982:226395,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,JTBXCUXRNXYRAN-UHFFFAOYSA-N
rxn:5:189952:223062:226364,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,VHTAEFVXTXVVDP-UHFFFAOYSA-N
rxn:5:189952:225833:227376,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,LFJDQBHPVNIHQC-UHFFFAOYSA-N
rxn:5:190097:227540:225600,COc1c(F)cc(SC)cc1-c1ccc(-c2cccnc2OC2CCCCC2)c(CCN2CCCCC2)c1,ZPQZVEDJQFCZJV-UHFFFAOYSA-N
rxn:5:190128:226027:226341,COc1cc(F)c(C(C)C)cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,CPNXCIBYKRFWOG-UHFFFAOYSA-N
rxn:5:190128:227944:226757,COC1CCN(C(=O)c2ccc(-c3cncc(C(C)(C)C)c3)c(-c3ccc(OC(F)(F)F)c(C)c3)c2)CC1,IEXRTQGRDVJGKV-UHFFFAOYSA-N
rxn:5:190131:223065:227955,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCCCC2)cc1-c1cc(C)cnc1C(C)C,CRNQKCHUAVZFQP-UHFFFAOYSA-N
rxn:5:190131:226920:223144,COc1c(-c2ccc(N3CCC(O)C3)cc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)(C)C)ccc1C,XRJRHTXUKBDOLB-UHFFFAOYSA-N
rxn:5:190177:226900:222992,O=C1CC(Sc2ccc(-c3ccc(N4CCCCC4O)cc3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,ZCDOBHXJEOMIJU-UHFFFAOYSA-N
rxn:5:190177:226901:223144,O=C1CC(Sc2ccc(-c3ccc(N4CCC(O)C4)cc3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,ZHOPIALKXQMXII-UHFFFAOYSA-N
rxn:5:190194:225600:228274,COC1CCN(Cc2cccc(-c3cccnc3OC3CCCCC3)c2-c2cc(SC)c(C)cc2F)CC1,PWIMCNLPXSHHFX-UHFFFAOYSA-N
rxn:5:190194:225810:225666,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(F)cc(N3CCCCC3)c2)c(C2OCCO2)c1,OZGGKLYDWYZSSE-UHFFFAOYSA-N
rxn:5:190194:226323:225982,COC1CCN(Cc2cccc(-c3ccc(OC4CCCC4)nc3)c2-c2cnc(N3CCOCC3)cc2F)CC1,VEGYUXGJNFFUMD-UHFFFAOYSA-N
rxn:5:190195:223113:226571,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnn(CC3CCOCC3)c2)c1)C1CCOCC1,VTQDPGITYSSGFS-UHFFFAOYSA-N
rxn:5:190195:223113:227491,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnc(OC3CCC3)nc2)c1)C1CCOCC1,MQIYSNMHPTWSFZ-UHFFFAOYSA-N
rxn:5:190195:225620:227975,CN(Cc1ccc(-c2ccc(OC3CCOCC3)cc2)c(-c2cccc([Si](C)(C)C)c2)c1)C1CCOCC1,XJYZELVVFYKSPB-UHFFFAOYSA-N
rxn:5:190195:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(N2CCOCC2)nc1F,ZLRMYNAEXCCYLS-UHFFFAOYSA-N
rxn:5:190196:225447:228181,COCc1cc(F)ccc1-c1cc(-c2ccc(OC3CCCCC3)cc2)ccc1CN(C)C1CCOCC1,FWYBTZGEIPVRME-UHFFFAOYSA-N
rxn:5:190196:225448:228153,COc1cc(OC)cc(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2CN(C)C2CCOCC2)c1,GSUKJHWKBKRIMD-UHFFFAOYSA-N
rxn:5:190196:225884:227569,COc1ccc(F)c(OC)c1-c1cc(-c2ccc(C3COCCO3)c(F)c2)ccc1CN(C)C1CCOCC1,BPXPGDBGAQEWNM-UHFFFAOYSA-N
rxn:5:190196:227700:225636,COc1ccc([N+](=O)[O-])c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccnc(N4CCC(C)CC4)c3)c2)c1,NWELDFWIQVZTAB-UHFFFAOYSA-N
rxn:5:190197:225817:225986,CN(Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccc(C(F)(F)F)c(C2CC2)c1)C1CCOCC1,DFGMSXMHPXGWAV-UHFFFAOYSA-N
rxn:5:190197:226426:226846,COc1nc(C(F)(F)F)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCC(C)CC3)s2)c1,ZDZULFHBYFQETJ-UHFFFAOYSA-N
rxn:5:190197:226583:227297,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,LXJNUKQKANCFOB-UHFFFAOYSA-N
rxn:5:190198:226191:225617,CN(Cc1c(-c2ccc(OC3CCCCO3)cc2)cccc1-c1cc(C2CCCC2)ccc1F)C1CCOCC1,CJCHQAUTXSNVBV-UHFFFAOYSA-N
rxn:5:190199:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnn(CC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,QFDGKIXCKFRWNH-UHFFFAOYSA-N
rxn:5:190199:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CN(C)C4CCOCC4)c3)c2)CC1,HVMROKZDAZJSMC-UHFFFAOYSA-N
rxn:5:190199:226686:227071,COCc1cc(C)c(-c2ccc(-c3c(C)cnn3C3CCCCO3)c(CN(C)C3CCOCC3)c2)c(C)c1,LLMBUQGSZVYEFG-UHFFFAOYSA-N
rxn:5:190199:227491:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnc(OC2CCC2)nc1)C1CCOCC1,KTVYHGDCOKZEFA-UHFFFAOYSA-N
rxn:5:190199:227669:226064,COc1c(F)c(C)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2CN(C)C2CCOCC2)c1F,CZMBHIFADXNKTM-UHFFFAOYSA-N
rxn:5:190200:225446:228148,COc1cccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(C)cc(OC4CCCC4)c3)c2)c1OC,NCXDFDNAWRNUAR-UHFFFAOYSA-N
rxn:5:190201:222417:225784,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(CN3CCOCC3)nc2)CCO1,LEQKLQPPCPTOJE-UHFFFAOYSA-N
rxn:5:190201:223113:223006,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2ccc(F)c(C3CCNCC3)c2)CCO1,BHZNTXWFYGCQDU-UHFFFAOYSA-N
rxn:5:190265:226743:227306,CCc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(OC(C)C)nc2C)cc(C(F)(F)F)n1,CKKXZEFNGVJEMJ-UHFFFAOYSA-N
rxn:5:190265:228602:225871,CC(=O)c1ccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1,VEHSGYJMTIFVHA-UHFFFAOYSA-N
rxn:5:190265:228653:226835,CC1CCCN(C(=O)Cc2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c(-c3cnn4c3CCCC4)c2)C1,OYRHWLHGFORWRR-UHFFFAOYSA-N
rxn:5:190299:223284:227687,COc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5)ccc4OC)C3=O)cc2)c([N+](=O)[O-])c1,QTKKXAKRQDAFJR-UHFFFAOYSA-N
rxn:5:190299:223284:227695,COc1cc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5)ccc4OC)C3=O)cc2)cc([N+](=O)[O-])c1,NMIOUOBTORMAOR-UHFFFAOYSA-N
rxn:5:190299:223285:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccccc5NS(C)(=O)=O)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],PFHRQXKOPPSGBW-UHFFFAOYSA-N
rxn:5:190299:223286:227683,COc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C#N)cc3[N+](=O)[O-])cc2)C1=O,RUSQEMABURZIIO-UHFFFAOYSA-N
rxn:5:190299:225886:226899,COc1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,YKPHSKHULOSLGP-UHFFFAOYSA-N
rxn:5:190299:227185:227716,COc1ccc(-c2ccc3c(c2)N(C)CCO3)cc1C=C1SC(=O)N(c2ccc(-c3cccc(F)c3OC(F)F)cc2)C1=O,DFUDNOZLKCAMBJ-UHFFFAOYSA-N
rxn:5:190299:227682:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5cc(C#N)cc([N+](=O)[O-])c5)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],WJXXQOKPPGDZIL-UHFFFAOYSA-N
rxn:5:190299:227683:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(C#N)cc5[N+](=O)[O-])ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],ADGJDNXWMXOJNV-UHFFFAOYSA-N
rxn:5:190307:226464:228211,COc1ccc2c(c1-c1ccc(-c3cc(N4CCCC4)cs3)c(CCN3CCC(C)CC3)c1)OCCO2,YUFFIVDNJOQDLG-UHFFFAOYSA-N
rxn:5:190308:225802:225927,CC1CCCN(CCc2cc(-c3ccc(OC4CCCC4)nc3F)ccc2-c2cc(C(F)(F)F)ccc2N(C)C)C1,ZNSIQIILQMXYLJ-UHFFFAOYSA-N
rxn:5:190308:226180:226152,COc1cc(C2CC2)cc(-c2ccc(-c3cc(C)nc(C4CCCC4)c3)cc2CCN2CCCC(C)C2)c1C,OLKBFGXTYTVISA-UHFFFAOYSA-N
rxn:5:190308:226836:225601,CC1CCCN(CCc2cc(-c3cn(C(C)C)nc3C(F)(F)F)ccc2-c2ccc(C3(C#N)CCC3)cc2F)C1,UXOSJQLTACHDAA-UHFFFAOYSA-N
rxn:5:190308:227277:226045,CC1CCCN(CCc2cc(-c3ccc(N(C)C)c(C#N)c3)ccc2-c2ccc(C(F)(F)C(F)(F)F)nc2)C1,ZEBVWOMCSDLFDO-UHFFFAOYSA-N
rxn:5:190308:227718:227103,CC1CCCN(CCc2cc(-c3ccc(OC(F)F)cc3F)ccc2-c2sccc2C2CCCCC2)C1,JVFQQZHLIPQOIS-UHFFFAOYSA-N
rxn:5:190335:226159:226150,COc1c(-c2cccc(SC3CCCC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1cccc(N2CCCCC2)c1,ODUCPKFVYVGCJK-UHFFFAOYSA-N
rxn:5:190336:223252:227749,COc1c(-c2cc(F)cc(C(F)(F)F)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(F)c2c(c1)NCCO2,KZJHFDKTMYZOKS-UHFFFAOYSA-N
rxn:5:190336:225806:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(OC2CCCC2)cc1F,FEOBNXFCTIQWND-UHFFFAOYSA-N
rxn:5:190336:226837:228867,CCc1nc(OC)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3c(C)nn(CC(F)(F)F)c3C)c2OC)s1,NGMWWTBFAAQJKC-UHFFFAOYSA-N
rxn:5:190336:227667:223015,COC(=O)c1ccc2[nH]c(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4c(F)ccc(C(C)=O)c4F)c3OC)cc2c1,PHPGFYDCJYSGPO-UHFFFAOYSA-N
rxn:5:190337:225515:225455,COc1c(-c2cc(N3CCCCC3)ccc2C)cc(C(=O)N2CCC(C)CC2)cc1-c1cccc2c1OCC(C)(C)CO2,FONGDLKWYUYHNI-UHFFFAOYSA-N
rxn:5:190337:228317:225600,COC(=O)c1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccnc3OC3CCCCC3)c2OC)cn1,VSVFOCPQEBAUMB-UHFFFAOYSA-N
rxn:5:190337:229054:222982,COCc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2OC)cs1,AYTJHLYXSUYTAT-AREMUKBSSA-N
rxn:5:190353:225600:227657,O=C(c1cc(-c2cccnc2OC2CCCCC2)ccc1-c1ccc(N2CCOCC2)s1)N1CCC(c2ccccc2)C1,GAHINTAASFSNGB-UHFFFAOYSA-N
rxn:5:190404:226136:225798,Cc1cc(C#N)c(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4ccc(OC5CCOCC5)nc4)CC3)o2)cc1C1CC1,KQSACOZGSGUQBD-UHFFFAOYSA-N
rxn:5:190418:226898:228135,CCOc1cc(C)ncc1-c1ccc(N2C(=O)CC(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4C)cc3)C2=O)c(C)c1,RNLAYVZQDIACEY-UHFFFAOYSA-N
rxn:5:190459:226900:227079,CC(C)Cc1ccc(F)c(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3ccc(S(F)(F)(F)(F)F)cc3)CCS2)c1,OXJPFWMZFMADSZ-UHFFFAOYSA-N
rxn:5:190484:226060:228122,CCOc1nc(C)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cc(C4CC4)cc(C4CC4)c3)c2)CCS1(=O)=O,MIQPIQYHWHTVQN-UHFFFAOYSA-N
rxn:5:190484:226761:223263,CNC(=O)c1ccc(F)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(SC)cc4C(F)(F)F)c3)CCS2(=O)=O)c1,NZRMYGUXCHBDAK-UHFFFAOYSA-N
rxn:5:190484:226880:228079,O=C1OCc2c1cccc2-c1ccccc1C1CCN(C(=O)c2cccc(-c3cc(F)c(F)c(C(F)(F)F)c3)c2)CCS1(=O)=O,PSDRFYBDPKHTLC-UHFFFAOYSA-N
rxn:5:190680:225623:226349,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cccc(OC4CCOCC4)c3)c(-c3cc(F)cc(OC(C)(C)C)c3)c12,ADSVUFSTDRPHQG-UHFFFAOYSA-N
rxn:5:190740:223064:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,OPFULPGZMIQIOW-UHFFFAOYSA-N
rxn:5:190740:225833:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(N2CCCCCC2)nc1,FSWNDWIGTKWABS-UHFFFAOYSA-N
rxn:5:190740:225849:223056,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,OTBKSUXALRQUEC-UHFFFAOYSA-N
rxn:5:190740:225881:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(C2CCNCC2)ncc1F,ZDMPOFUFFLRPSO-UHFFFAOYSA-N
rxn:5:190740:225881:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,RTCGMRZSNZEVJZ-UHFFFAOYSA-N
rxn:5:190740:225976:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FZQYBEFVBJTQPF-UHFFFAOYSA-N
rxn:5:190740:225976:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cnc(N2CCCCC2)cc1F,IWWHZSKOVPIJME-UHFFFAOYSA-N
rxn:5:190741:225849:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,ZOYFLNRHVGFSCZ-UHFFFAOYSA-N
rxn:5:190741:225881:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ZZKBBFWUCSXXDP-UHFFFAOYSA-N
rxn:5:190741:225976:225833,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,UXDOJYRRZWJVOF-UHFFFAOYSA-N
rxn:5:190742:223006:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(N2CCC(O)CC2)nc1,XRJLFLNSUANIRG-UHFFFAOYSA-N
rxn:5:190742:225590:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccc(CN2CCOCC2)nc1,JUXLWCGVDGEHCN-UHFFFAOYSA-N
rxn:5:190742:225803:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,PCODJNKENVMCJF-UHFFFAOYSA-N
rxn:5:190742:225833:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cc(N2CCCCC2)ncc1F,CMOSZENDANGWNE-UHFFFAOYSA-N
rxn:5:190742:225881:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(C2CCOCC2)nc1F,AYQLOQUWZKWNHM-UHFFFAOYSA-N
rxn:5:190742:225982:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCCCC2)c1F,HDSQNBWRZKQYES-UHFFFAOYSA-N
rxn:5:190742:226583:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(N2CCC(O)CC2)nc1,MQRWWYSBHIMALR-UHFFFAOYSA-N
rxn:5:190743:225633:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,RRRNRHXKZYMPJE-UHFFFAOYSA-N
rxn:5:190743:225655:223056,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MZRXZBIPMFBZOH-UHFFFAOYSA-N
rxn:5:190743:225655:223061,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,OJXPHYQYNSCBIA-UHFFFAOYSA-N
rxn:5:190743:225656:225833,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,POTXHOGOFBRHEK-UHFFFAOYSA-N
rxn:5:190743:225980:225833,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,MBGVMPDTXSLMOM-UHFFFAOYSA-N
rxn:5:190743:225980:225976,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,HMTYBQBAQYDCAT-UHFFFAOYSA-N
rxn:5:190744:225881:223062,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,BAQRTIXUDHVJHZ-UHFFFAOYSA-N
rxn:5:190744:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MUPBSBGCSMCOHH-UHFFFAOYSA-N
rxn:5:190795:226181:225616,CC(C)(C)OC(=O)n1cc(-c2ccc(C3=CCCCC3)nc2)c2ccc(-c3ccccc3C(=O)N3CCCC3)cc21,MVYNQNCKGARYQP-UHFFFAOYSA-N
rxn:5:190832:223062:226366,CCOC(=O)c1cnc2cc(C)c(-c3cnc(C4CCNCC4)cc3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1,QGCDNRAMJXZAKN-UHFFFAOYSA-N
rxn:5:190832:225833:225833,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,VMHBVCWXIAHFBO-UHFFFAOYSA-N
rxn:5:190832:225834:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,MEYVXFDGQSWBKM-UHFFFAOYSA-N
rxn:5:190833:225929:227449,Cc1cc(-c2ccc(-c3ccc(C4CCOCC4)s3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1S(=O)(=O)N(C)C,KNTCDJQOCBFMLH-UHFFFAOYSA-N
rxn:5:190833:227390:228320,COC(=O)c1cc(-c2ccc(-c3ccnn3C3CCCCC3)c3c2CN(C(=O)OC(C)(C)C)C3=O)ccn1,ILRCWWYDIKSMRI-UHFFFAOYSA-N
rxn:5:190859:228100:226837,CCCn1nc(C)c(-c2ccc3c(c2-c2c(C)nn(CC(F)(F)F)c2C)CCN3C(=O)OC(C)(C)C)c1C,CKQUQBPZBJNKCV-UHFFFAOYSA-N
rxn:5:190998:228219:226446,COC(=O)c1cc(-c2ccc(C3CCOC3)nc2C)ccc1N1Cc2cc(-c3cnc(C(C)C)cc3F)ccc2OCC1=O,PYLWDXHLEIZIDA-UHFFFAOYSA-N
rxn:5:190998:228703:223061,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1N1Cc2cc(-c3cnn(C4CCC4)c3)ccc2OCC1=O,UTLURRWGGZVXDL-UHFFFAOYSA-N
rxn:5:190998:228712:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3ccnn3C3CCC3)ccc2OCC1=O,VXLPPLJRRHTDIJ-UHFFFAOYSA-N
rxn:5:191026:223008:228357,COC(=O)C1=CN(c2ccc(C)c(-c3c(C)nc(OC)nc3C)c2)c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2S1(=O)=O,GSLCMJSWSBWDHJ-UHFFFAOYSA-N
rxn:5:191026:228009:227659,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C(F)(F)F)c3C)c2)c2cc(-c3ccc(C4CC4)c(F)c3)ccc2S1(=O)=O,DUOJQTKQYVCGQV-UHFFFAOYSA-N
rxn:5:191049:227688:227710,COc1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(OS(C)(=O)=O)cc3)cc1OC)C(=O)CO2,IBIROMJPADUDED-UHFFFAOYSA-N
rxn:5:191049:227690:227710,COc1cc([N+](=O)[O-])ccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(OS(C)(=O)=O)cc3)cc1OC)C(=O)CO2,YEOQBABPVUAUTM-UHFFFAOYSA-N
rxn:5:192076:225832:226686,COC(=O)c1cnc(-c2c(C)cnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1C,BUMCVKXSFMVKBK-UHFFFAOYSA-N
rxn:5:192567:225930:225800,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(-c3ccc(C(=O)N4CCSC4)cc3)c(C3(C#N)CCC3)c2)c1,DIFJZJOXMLBKAY-UHFFFAOYSA-N
rxn:5:192567:225976:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C1(C#N)CCC1,NSBBWVFLPKOEEP-UHFFFAOYSA-N
rxn:5:192882:225470:225932,CC1CCN(c2ccc(-c3cnc(OC4CCCC4)c(-c4ccc(N(C)C)c(C(F)(F)F)c4)c3)cc2)CC1,CBKFVDZGMHHPBM-UHFFFAOYSA-N
rxn:5:192882:225808:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cc(OC4CCCC4)ncc3F)cnc2OC2CCCC2)c1,XXVQODLBTJXUQB-UHFFFAOYSA-N
rxn:5:192882:225930:225868,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cnc(OC3CCCC3)c(-c3ccc(N4CCOCC4)c(F)c3)c2)c1,ACDIDTBCLZQAGW-UHFFFAOYSA-N
rxn:5:193052:226901:226427,CC1CCN(c2csc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)ccc3C(=O)N3CCCC3)c2)CC1,UHDZZCQEELYITC-UHFFFAOYSA-N
rxn:5:193055:226731:225435,CN(C)S(=O)(=O)c1ccccc1-c1ccc(C2(C#N)CCCC2)c(-c2ccccc2CN2CCCCC2)c1,GWBBBVUALMVGRI-UHFFFAOYSA-N
rxn:5:193151:225613:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cccc(CN2CCCC2)c1-c1ccnc(OC2CCCCC2)c1,XDHFVDRSABUFNJ-UHFFFAOYSA-N
rxn:5:193226:223061:226364,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCCCC3)nc2)c1)N1CCOCC1,FYRGPUDWJQFPJK-UHFFFAOYSA-N
rxn:5:193226:223062:223065,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCOCC1,AVDFUNPISFNVCI-UHFFFAOYSA-N
rxn:5:193226:225833:225849,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cnc(N3CCCCC3)cc2F)c1)N1CCOCC1,BXOCJQCRXYNSTG-UHFFFAOYSA-N
rxn:5:193226:225976:225784,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1)N1CCOCC1,MYOXBCRWFDHMFT-UHFFFAOYSA-N
rxn:5:193227:223378:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C(=O)N2CCOCC2)cc(-c2cnc3c(c2)NCCO3)c1,QWTHVFIEMTZOPA-UHFFFAOYSA-N
rxn:5:193227:225655:223006,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccc(F)c(C5CCNCC5)c4)c3)c2)CC1,HLEVVBYIMHTPOJ-UHFFFAOYSA-N
rxn:5:193227:225976:223006,O=C(c1cc(-c2ccc(F)c(C3CCNCC3)c2)cc(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,IGQFOYYMSQFSSA-UHFFFAOYSA-N
rxn:5:193227:225978:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccc(N5CCOCC5)nc4F)c3)c2)CC1,BIEUXBKSPYKAQA-UHFFFAOYSA-N
rxn:5:193229:225982:225849,O=C(c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cnc(N2CCCCC2)cc1F)N1CCOCC1,KMYNMXHIJZFNKX-UHFFFAOYSA-N
rxn:5:193229:226679:223058,O=C(c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(F)nc(C2CCCNC2)c1)N1CCOCC1,MGSCZVGNCSTEIK-UHFFFAOYSA-N
rxn:5:193229:227316:223006,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(F)c(C3CCNCC3)c2)cc(F)n1,MEBLYGAUBCVNGI-UHFFFAOYSA-N
rxn:5:193230:223061:223141,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cncc(C2CCNCC2)c1)N1CCOCC1,FPIURJDSQHYQHL-UHFFFAOYSA-N
rxn:5:193230:227068:225625,CC(C)Cc1ccc(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(OC4CCCC4)ccc3F)c2)c(F)c1,IRKFKDCRBXYLDL-UHFFFAOYSA-N
rxn:5:193230:228496:225986,O=C(c1ccc(-c2cnn(CC(F)(F)F)c2)cc1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,ZJKSEBHLCYCBSL-UHFFFAOYSA-N
rxn:5:193332:226848:225598,COc1ccc(-c2cc(-c3cccc(CN4CCSCC4)c3)ccc2CN2CCOCC2)c(C(F)(F)F)n1,GBNFRQDOUZBOKB-UHFFFAOYSA-N
rxn:5:193333:226085:223010,CC1(C)CCc2cc(-c3ccc(CN4CCOCC4)cc3-c3ccc(C4(O)CCOCC4)cc3)ccc2O1,CJJJNEZSYRBNNX-UHFFFAOYSA-N
rxn:5:193333:226464:225674,COc1ccc2c(c1-c1ccc(CN3CCOCC3)cc1-c1cnc(C3CCCCC3)cc1F)OCCO2,BEHZJBNVDTWFFN-UHFFFAOYSA-N
rxn:5:193333:226783:222984,COc1cc(F)c(F)c(OC)c1-c1ccc(CN2CCOCC2)cc1-c1ccc(CN2CCC(O)C2)cc1,JTYMTGBBMHFULQ-UHFFFAOYSA-N
rxn:5:193334:222991:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1ccc(N3CCCC(O)C3)cc1)OCCO2,AASAZOIOJICDPY-UHFFFAOYSA-N
rxn:5:193334:226464:225605,COc1ccc2c(c1-c1c(CN3CCOCC3)cccc1-c1cc(C)cnc1OC1CCCC1)OCCO2,SJWWHAQGLIDPOX-UHFFFAOYSA-N
rxn:5:193338:225633:227768,CN(C)S(=O)(=O)n1cccc1-c1cc(CN2CCOCC2)cc(-c2ccc(N3CCCCCC3)nc2)c1,IGRZLQQKTQEDHT-UHFFFAOYSA-N
rxn:5:193382:222987:227498,COc1cc(N(C)C)ncc1-c1cc(-c2ccc(C3CCNCC3)nc2C)ccc1S(=O)(=O)N1CCOCC1,CFLDRXUQWIWSCC-UHFFFAOYSA-N
rxn:5:193382:225452:227574,COc1c(F)ccc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1OC,DQLFQUVELMAARU-UHFFFAOYSA-N
rxn:5:193382:225621:228206,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)cc(N(C)C)c3)c2)ccc1OC1CCOC1,DGJHPPOMPCLFIS-UHFFFAOYSA-N
rxn:5:193382:226469:227530,COC(=O)c1ccc(F)c(-c2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccc2S(=O)(=O)N2CCOCC2)c1,URFCBQRSMLVQSW-UHFFFAOYSA-N
rxn:5:193382:226835:228198,Cc1nc(C(C)C)ncc1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1S(=O)(=O)N1CCOCC1,DCAMTJMRLPSQBQ-UHFFFAOYSA-N
rxn:5:193382:227349:226450,COc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(C4(C)OCCO4)c3)c2)c1OC,UFHZMPOTRHYIKB-UHFFFAOYSA-N
rxn:5:193382:227506:225985,O=[N+]([O-])/C=C/c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)c1,PBSYHKHCFMCWRA-ZRDIBKRKSA-N
rxn:5:193460:223190:227684,CNS(=O)(=O)c1ccc(F)cc1-c1cccc(C(=O)N2CCCCC2)c1-c1cnn(CC2OCCO2)c1,SOVPDDSSPUAZIR-UHFFFAOYSA-N
rxn:5:193460:225449:223130,O=C(c1cccc(-c2cccc(OC3CCCCC3)c2)c1-c1ccc(CN2CC(O)C2)cc1)N1CCCCC1,XNPZCBDYLMRINC-UHFFFAOYSA-N
rxn:5:193460:227296:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1c(C(=O)N2CCCCC2)cccc1-c1ccc(OC2CCC2)nc1,WMJCRGMRBKVQIT-UHFFFAOYSA-N
rxn:5:193462:226029:223251,CCOc1c(F)c(F)c(-c2ccc(-c3ccc4c(c3)OCC(=O)N4)c(CN3CCC(=O)CC3)c2)c(F)c1F,VVLBIRPAEHLGJL-UHFFFAOYSA-N
rxn:5:193462:227745:226654,CC1CCN(c2nc(-c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3CN3CCC(=O)CC3)cs2)CC1,HCZWXNPJUNFPSM-UHFFFAOYSA-N
rxn:5:193464:222987:223058,Cc1nc(C2CCNCC2)ccc1-c1ccc(C2(C#N)CCCCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,CDAIXYZDDQLRQE-UHFFFAOYSA-N
rxn:5:193465:222409:225603,COc1ccc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2cccc(C3(C#N)CCC3)c2F)cc1S(N)(=O)=O,LICUWDWYTGWCGH-IBGZPJMESA-N
rxn:5:193465:225498:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cc(C2CCCCC2)ccc1F,WLZZSWRJOAGVDB-FQEVSTJZSA-N
rxn:5:193465:225819:227095,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CC(=O)C3)cc2)c1-c1cc(C(F)(F)F)ccc1C1CC1,PSLBXOXFBKPBDT-IBGZPJMESA-N
rxn:5:193465:225926:226899,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC2)cc1,WYVQVFVBPIWHLK-SFHVURJKSA-N
rxn:5:193465:225940:227505,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1-c1cc(C(F)(F)F)cnc1C1CC1,YPMNSTNQLNNILR-DUVHGLKDSA-N
rxn:5:193465:225987:227590,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(CC(F)(F)F)cc2)c1-c1ccc(N2CCCS2(=O)=O)cc1,ZIZMLVSJRNQJCV-FQEVSTJZSA-N
rxn:5:193465:226576:225946,CC(=O)c1cc(-c2cccc(C(=O)N3CCC[C@@H]3C)c2-c2ccc(F)c(C(=O)N(C)C)c2)cc(C(F)(F)F)c1,HFTGLANGKMYVFS-KRWDZBQOSA-N
rxn:5:193465:226710:226664,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccc(F)c([Si](C)(C)C)c1F,MTKPENQQJMUBSK-IBGZPJMESA-N
rxn:5:193466:226041:222992,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3O)cc2)cc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,PQKINWGSIXDASL-FOEZPWHWSA-N
rxn:5:193466:226058:226900,CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1C(=O)N1CCC[C@H]1C,IXSIRJRJXFQHSG-OAQYLSRUSA-N
rxn:5:193467:225450:225797,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,WGBCLJCWTUYGCT-QFIPXVFZSA-N
rxn:5:193467:225816:227203,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCCCO3)ccc1-c1cc(C2CC2)ccc1C(F)(F)F,YSSUKYWBCXRBFK-IBGZPJMESA-N
rxn:5:193467:225946:227203,CC(=O)c1cc(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)N2CCC[C@@H]2C)cc(C(F)(F)F)c1,GCDRPQDSXSZYHM-SFHVURJKSA-N
rxn:5:193467:227756:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1c(F)cccc1C(F)(F)F,PWKIQKZOECEQPE-SFHVURJKSA-N
rxn:5:193468:222991:227761,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCC(O)C3)cc2)cccc1-c1ccc(F)cc1C(F)(F)F,HDEZIXFHMCWIEP-HSTJUUNISA-N
rxn:5:193468:225583:227746,C[C@H]1CCCN1C(=O)c1c(-c2cccc(C(=O)N3CCCC3)c2)cccc1-c1cccc(C(F)(F)F)c1F,IRTKXJCBBHUJPZ-IBGZPJMESA-N
rxn:5:193468:225820:226915,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCC3)cc2)cccc1-c1c(C2CC2)cccc1C(F)(F)F,MIDLXIBKKSGWRU-NRFANRHFSA-N
rxn:5:193468:225871:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,MISCJGITWGKFKH-SFHVURJKSA-N
rxn:5:193468:226046:227183,C[C@H]1CCCN1C(=O)c1c(-c2ccnc(C(F)(F)C(F)(F)F)c2)cccc1-c1ccc2c(c1)CN(C)C2=O,QAKLVASSKSIVRY-INIZCTEOSA-N
rxn:5:193468:226048:223216,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)CCC(=O)N3)cccc1-c1c(F)ccc(F)c1OC(F)(F)F,IAKBUZCFXBYUCP-HNNXBMFYSA-N
rxn:5:193468:226053:223216,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)CCC(=O)N3)cccc1-c1ccc(F)c(OC(F)(F)F)c1F,BALYVGBIYLSLRU-HNNXBMFYSA-N
rxn:5:193469:222992:227590,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3O)cc2)cc1-c1ccc(CC(F)(F)F)cc1,PJPKCCCQFSCWNW-QYWNIODHSA-N
rxn:5:193469:226046:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1-c1cccc(S(F)(F)(F)(F)F)c1,MNQBKJNXQVVAKX-OAHLLOKOSA-N
rxn:5:193469:226332:226739,CC(=O)c1ccc(-c2cc(-c3ccccc3C(=O)N3CCC3)ccc2C(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-],CTHQGQFHLKSVBJ-LJQANCHMSA-N
rxn:5:193506:226064:227804,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)cc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])CC1,VUWLKZCQIVRUTD-UHFFFAOYSA-N
rxn:5:193506:226571:228501,Cn1ncc(-c2cc(-c3cnn(CC4CCOCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,NUKFXUXTRXTGGW-UHFFFAOYSA-N
rxn:5:193506:226652:228707,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C(C)(C)C)c3)c2)n(C2CCCCO2)n1,AISVAKWMYDFZBM-UHFFFAOYSA-N
rxn:5:193506:226686:229197,Cc1cnn(C2CCCCO2)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(C(F)F)c2)c1,OOXWBUGJJZXALV-UHFFFAOYSA-N
rxn:5:193506:226835:229056,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnn2C(C)C)c1,PLDISKVDMGBECE-UHFFFAOYSA-N
rxn:5:193506:226836:227613,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCOCC4)c3)c2)c(C(F)(F)F)n1,UTHLZLPACHWSMB-UHFFFAOYSA-N
rxn:5:193506:226836:229085,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3scnc3C3CC3)c2)c(C(F)(F)F)n1,JKUYVIBJBZERJS-UHFFFAOYSA-N
rxn:5:193506:227203:227665,Cc1cc(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C(F)(F)F,UUAAANNUIHVLPT-UHFFFAOYSA-N
rxn:5:193506:227804:227203,O=C1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2-c2ccc3c(c2)OCCCO3)CC1,PNQCSWKTEAZCRH-UHFFFAOYSA-N
rxn:5:193506:228077:226652,Cc1cc(-c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2S(=O)(=O)N2CCC(=O)CC2)n(C2CCCCO2)n1,IOYYNAXXANKOIN-UHFFFAOYSA-N
rxn:5:193506:228816:226837,Cc1nc(C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3c(C)nn(CC(F)(F)F)c3C)c2)c(C)n1,PUQCPUSIXNYECG-UHFFFAOYSA-N
rxn:5:193506:229246:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C)n2C)ccc1S(=O)(=O)N1CCC(=O)CC1,LDEGTGFPADDPJH-UHFFFAOYSA-N
rxn:5:193537:225671:226649,Fc1cnc(C2CCCCC2)cc1-c1c(CN2CCCCC2)cccc1-c1cccnc1N1CCOCC1,YLFDZZJYRCPWAZ-UHFFFAOYSA-N
rxn:5:193540:226849:225816,COc1nccc(-c2ccc(CN3CCCCC3)c(-c3cc(C4CC4)ccc3C(F)(F)F)c2)c1C(F)(F)F,RPBRFHRBUHRAEK-UHFFFAOYSA-N
rxn:5:193541:225930:226899,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(CN3CCCCC3)cc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1,HPTJWIBHYBRBMT-UHFFFAOYSA-N
rxn:5:193541:225932:225448,Cc1ccc(OC2CCCC2)c(-c2cc(CN3CCCCC3)cc(-c3ccc(N(C)C)c(C(F)(F)F)c3)c2)c1,CITDWDXLXRGTJV-UHFFFAOYSA-N
rxn:5:193681:223010:227458,CN1CCC(Oc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cnc3c(c2)OCCN3C)CC1,XVCQMYKTPFWZRS-UHFFFAOYSA-N
rxn:5:193681:225881:227803,CN1CCC(Oc2cc(-c3ccc(C4CCOCC4)nc3F)ccc2-c2ccnn2S(=O)(=O)N(C)C)CC1,JDZSBNOWRIWLPL-UHFFFAOYSA-N
rxn:5:193748:222992:226901,CC1CCCN(C(=O)c2cc(-c3ccc(N4CCCCC4O)cc3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)C1,UJGUMKKQAJRLFF-UHFFFAOYSA-N
rxn:5:193748:227625:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(-c2cnc(C3CCCO3)nc2)cc1C(=O)N1CCCC(C)C1,BIGNUJSTWBBINT-UHFFFAOYSA-N
rxn:5:193750:226901:227451,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccc(C3CC3(F)F)cc2)CC1,TVESICZLCFRUOH-UHFFFAOYSA-N
rxn:5:193750:227362:223189,CCOc1cc(C)cc(F)c1-c1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(C(=O)N2CCC(C)CC2)c1,GMKVKSPNLNQKIG-UHFFFAOYSA-N
rxn:5:193751:226910:223058,CCC(C)(C)c1ccc(-c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2C(=O)N2CCCC(C)C2)cc1,WWFQAWBFGCRDMC-UHFFFAOYSA-N
rxn:5:193752:225666:223283,CNc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2cc(F)cc(N3CCCCC3)c2)cc1[N+](=O)[O-],FQMIMQVKVZFTIB-UHFFFAOYSA-N
rxn:5:193754:226901:226064,CC1CCN(C(=O)c2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2ccc(C3CCCCC3)cc2)CC1,DWTFMAAWHQHRGD-UHFFFAOYSA-N
rxn:5:193755:225934:227946,CC1CCCN(C(=O)c2cccc(-c3cnc(C(F)(F)F)c(C4CC4)c3)c2-c2ccc(C(C)(C)C)nc2)C1,OQOLHIOGIIEMOY-UHFFFAOYSA-N
rxn:5:193807:225466:226901,CC1CCN(Cc2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2ccc(N3CCCCC3C)cc2)CC1,IVADEQYAWCNAQW-UHFFFAOYSA-N
rxn:5:193808:226069:226901,CC1CCN(Cc2cc(-c3cccc(C4CCCCC4)c3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,UHDJRMRDRBXBAD-UHFFFAOYSA-N
rxn:5:193809:225985:226900,CC1CCN(Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,JGKUDXMSVHBSDM-UHFFFAOYSA-N
rxn:5:193809:226035:227345,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(CN2CCC(C)CC2)c(-c2ccc(OC(C)C)cc2F)c1,SXOXBMIOQNNDJM-UHFFFAOYSA-N
rxn:5:193867:228443:226739,CSc1c(F)ccc(-c2cc(-c3ccc(C(C)=O)c([N+](=O)[O-])c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,JOGRRWBMOPNSDX-UHFFFAOYSA-N
rxn:5:193868:226901:227894,CC1CN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2cccc(/C=C/C#N)c2)CC(C)O1,OONWWGGVZJHYBW-FNORWQNLSA-N
rxn:5:193869:225936:228261,CSc1ccc(F)c(C)c1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C(F)(F)F)cnc2C(C)C)cc1C,ZKDMPQPLCCNFBA-UHFFFAOYSA-N
rxn:5:193869:227692:227710,COc1c(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2S(=O)(=O)N2CCCCC2)cccc1[N+](=O)[O-],CBCDQJOCBGHFDD-UHFFFAOYSA-N
rxn:5:193870:226777:226679,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(C)c(F)c(OC(F)F)c1,FAXPGIZUSQKOHJ-UHFFFAOYSA-N
rxn:5:193870:226835:228198,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C(C)C)nc2C)cc1-c1cc(C(F)(F)F)nn1C(C)C,CTENBRKTXOWCJX-UHFFFAOYSA-N
rxn:5:193870:227320:223203,COc1cccc(N(C)C)c1-c1cc(-c2cccc(C3(O)CCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,IDJYNPSYPMXWCS-UHFFFAOYSA-N
rxn:5:193870:227574:223145,COc1c(F)ccc(-c2cc(-c3ccc(C4CCC(=O)N4)cc3)c(S(=O)(=O)N3CCCCC3)cc2C)c1OC,RYVQSROUWWKJDU-UHFFFAOYSA-N
rxn:5:193870:227688:227320,COc1ccc([N+](=O)[O-])cc1-c1cc(-c2c(OC)cccc2N(C)C)c(S(=O)(=O)N2CCCCC2)cc1C,NDNNIRIWDJQEHL-UHFFFAOYSA-N
rxn:5:193871:226413:225600,O=C(c1ccc(-c2cccnc2OC2CCCCC2)c(-c2cccc(N3CCOCC3)c2)c1)N1CCC2(CC1)CC2,FHYLMZVVEOUYBE-UHFFFAOYSA-N
rxn:5:193872:228135:226649,CCOc1cc(C)ncc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccnc1N1CCOCC1,NPURRBBTCRNWJL-UHFFFAOYSA-N
rxn:5:193912:227309:226586,CCC(C)c1cc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5ccnc(OC6CCOC6)c5)cc4)C3=O)cc2)cc(F)n1,DOLGZDSGWWOHJP-UHFFFAOYSA-N
rxn:5:193967:225933:228866,COCc1noc(C)c1-c1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)ccc1CN1CCC2(CC1)OCCO2,GOPYXPZGSFWNQH-UHFFFAOYSA-N
rxn:5:193967:226350:228101,COC(=O)c1c(C)ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C#N)cc(C#N)c3)c2)c1C,OPPSIIBMIICGQQ-UHFFFAOYSA-N
rxn:5:193967:227592:226139,COc1cc(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C4CC4)cnc3C3CC3)c2)c1OC,UGGKAVZSUKBFNP-UHFFFAOYSA-N
rxn:5:193968:223281:228171,CCOc1ccc(-c2ccc(-c3ccc(C4(O)COC4)nc3)cc2CN2CCC3(CC2)OCCO3)cc1F,RTZDSUIOXRNHEG-UHFFFAOYSA-N
rxn:5:193968:226204:225446,COc1nc2ccccc2cc1-c1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(CN2CCC3(CC2)OCCO3)c1,FLSMEMSWLVFJNJ-UHFFFAOYSA-N
rxn:5:193968:226837:228454,COc1cc(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)cc2CN2CCC3(CC2)OCCO3)c(OC)nn1,OJCAAHTYDBPHGR-UHFFFAOYSA-N
rxn:5:193968:227365:226179,CCOc1cc(-c2ccc(-c3cncc(C4CCCCC4)c3)c(CN3CCC4(CC3)OCCO4)c2)cc(C)c1F,RXOWGROLGAHOGV-UHFFFAOYSA-N
rxn:5:193968:228258:225802,COc1c(F)ccc(C)c1-c1ccc(-c2ccc(OC3CCCC3)nc2F)c(CN2CCC3(CC2)OCCO3)c1,PEXBCPPZUJCQTH-UHFFFAOYSA-N
rxn:5:193972:223378:223389,Cc1cc(-c2cnc3c(c2)NCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,FTSCIJYINTWJIS-UHFFFAOYSA-N
rxn:5:193972:227452:227951,Cc1cc(-c2cccc(C3OCCO3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc([N+](C)(C)C)cc1,IURMUSCKUOQBPX-UHFFFAOYSA-N
rxn:5:193972:227951:227446,Cc1cc(-c2ccc([N+](C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2OCCO2)cc1,GGPCWAUIUVRMHM-UHFFFAOYSA-N
rxn:5:193972:227951:227452,Cc1cc(-c2ccc([N+](C)(C)C)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C2OCCO2)c1,IDUGNARGWNIDLL-UHFFFAOYSA-N
rxn:5:193972:228155:227686,COc1ccc(-c2cc(C)c(-c3ccc(OC)c([N+](=O)[O-])c3)cc2S(=O)(=O)N2CCCCCC2)cc1OC,QZNFOWGDLQBIOU-UHFFFAOYSA-N
rxn:5:194561:226900:227357,CCC(=O)c1cc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)ccc1F,LXCKRINXVQISPN-UHFFFAOYSA-N
rxn:5:194688:226644:225980,COc1cc(-c2cc(N3CCOCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCOCC4)c3)cc1)C2,JXAGJQYUDBSCQW-UHFFFAOYSA-N
rxn:5:194733:223384:226138,CNC(=O)c1ccc(-c2ccc(-c3c(C)cc(C#N)cc3C3CC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cn1,PTMYNMPAHGMGGA-UHFFFAOYSA-N
rxn:5:194733:226900:227810,CCC(C)c1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1,ICVKNOSXTJQNOT-UHFFFAOYSA-N
rxn:5:194733:226900:227817,CC(C)Cc1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,KERIBMPGICPFEJ-UHFFFAOYSA-N
rxn:5:194733:227528:226135,COC(=O)c1ccc(-c2ccc(-c3cc(C4CC4)c(C#N)cc3C)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,XPLPFDMKXOLWHA-UHFFFAOYSA-N
rxn:5:194733:228509:226900,CC(C)c1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,SBUIKQZHLWYWBN-UHFFFAOYSA-N
rxn:5:194733:228529:226900,O=C(c1cc(-c2ccc3c(c2)CCO3)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,FDDJGIREOBFRIL-UHFFFAOYSA-N
rxn:5:194767:223061:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)CC1,BLJQHUUMWNTQRM-UHFFFAOYSA-N
rxn:5:194767:225655:223062,CC1CCN(c2cncc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c2)CC1,IOVQBSWZARYXMD-UHFFFAOYSA-N
rxn:5:194767:225980:225784,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCOCC5)ncc4F)ccc3-c3ccc(CN4CCOCC4)nc3)C2)c2ccccc21,XUYZULYRVBHXSO-UHFFFAOYSA-N
rxn:5:194767:226366:226794,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCCCC5)c4)ccc3-c3cnc(N4CCSCC4)nc3)C2)c2ccccc21,RDAFGCRJPJURNV-UHFFFAOYSA-N
rxn:5:194767:227079:222990,CC(C)Cc1ccc(F)c(-c2ccc(-c3ccc(N4CCC(O)CC4)cc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,HWSSVGWZSHMFCQ-UHFFFAOYSA-N
rxn:5:194767:227309:225437,CCC(C)c1cc(-c2ccc(-c3cccc(CN4CCCCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,OJXYUCOMESPGJJ-UHFFFAOYSA-N
rxn:5:194767:227316:226645,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,YUTNEGBUPHGFFY-UHFFFAOYSA-N
rxn:5:194767:227316:227684,CC(C)Cc1cc(-c2ccc(-c3cnn(CC4OCCO4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,VAAPGDRVWDXQBQ-UHFFFAOYSA-N
rxn:5:194792:226321:226654,CC1CCN(c2nc(-c3ccc(N4C(=O)C5C(c6ccc(-c7ccc(SC8CCCC8)nc7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)cs2)CC1,VDLAOBSADLHEAR-UHFFFAOYSA-N
rxn:5:196198:222995:222959,Cc1cc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2cccc(N3CCCC(O)C3)c2)ccc1C1CCNCC1,IJJVVDYGMPXVBU-UHFFFAOYSA-N
rxn:5:196198:225943:227501,O=C(c1ccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc(C=C[N+](=O)[O-])cc2)s1)N1CCOCC1,WNBGPKVXZQEIBM-UHFFFAOYSA-N
rxn:5:196198:226329:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(C3(C#N)CC3)c(F)c2)c1,RQJKAWUWJUAYBN-UHFFFAOYSA-N
rxn:5:196198:226738:223018,CC(=O)c1ccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c([N+](=O)[O-])c1,KQWFNRORMMMWHJ-UHFFFAOYSA-N
rxn:5:196408:226766:223054,Cc1ccc(OC(F)(F)F)c(-c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2C2=NOCCO2)c1,QHZABUGPLHCKDP-UHFFFAOYSA-N
rxn:5:196533:223389:225832,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(N2C(=O)CC(c3c(C)nn(C4CCCCO4)c3C)C2=O)cc1,SEXNHKQPFOKABS-UHFFFAOYSA-N
rxn:5:196533:225871:227103,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)CC(c4sccc4C4CCCCC4)C3=O)cc2)c1,AKZCXGMYPIXFKS-UHFFFAOYSA-N
rxn:5:196533:225926:227103,O=C1CC(c2sccc2C2CCCCC2)C(=O)N1c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1,YWEAVCJWSXTWKN-UHFFFAOYSA-N
rxn:5:196533:226886:226835,CC(C)n1nc(C(F)(F)F)cc1C1CC(=O)N(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)C1=O,NKNPOMOUOLTCKJ-UHFFFAOYSA-N
rxn:5:196533:226901:225616,O=C(c1ccccc1C1CC(=O)N(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C1=O)N1CCCC1,FUMONORXTUHFTJ-UHFFFAOYSA-N
rxn:5:196623:225633:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(N3CCCCCC3)nc2)cc(N2CCCC2=O)c1,XVFIYCREOSPXIJ-UHFFFAOYSA-N
rxn:5:196859:225931:225666,Cc1cc(-c2c(C3CCOCC3)ccnc2-c2cc(F)cc(N3CCCCC3)c2)cc(S(=O)(=O)N(C)C)c1,NSJOSYAMMPOODQ-UHFFFAOYSA-N
rxn:5:196871:226837:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c(N2CCOCC2)c1,GLBXIUNIOJTHKU-UHFFFAOYSA-N
rxn:5:196916:225832:227626,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCOC3)nc2)ccc1N1CCCCC1=O,PZXDNSYLYJTASE-UHFFFAOYSA-N
rxn:5:196923:225453:226901,O=C1CCCCN1c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1,PQJPFGNXYFMYEC-UHFFFAOYSA-N
rxn:5:197169:226052:223010,N#CC1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3c(F)ccc(OC(F)(F)F)c3F)c2OC1,SKOGHEVNDFMQDE-UHFFFAOYSA-N
rxn:5:197876:226054:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1cnc(C(F)(F)C(F)(F)F)nc1)S(=O)(=O)N(C(C)(C)C)C2=O,XUEXFKAAEMHGMC-UHFFFAOYSA-N
rxn:5:197876:226060:226880,CC(C)(C)N1C(=O)c2cc(-c3cc(F)c(F)c(C(F)(F)F)c3)c(-c3cc(C4CC4)cc(C4CC4)c3)cc2S1(=O)=O,LTRMDGDLRQIISI-UHFFFAOYSA-N
rxn:5:197876:226837:227415,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)C(=O)N(C(C)(C)C)S2(=O)=O,FBYGZUPRBZARAE-UHFFFAOYSA-N
rxn:5:197876:227385:228498,Cc1nc(C(C)(C)C)ncc1-c1cc2c(cc1-c1cn(C)nc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,DBQAUIJYPWZVNF-UHFFFAOYSA-N
rxn:5:199167:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(nc1-c1c(C)nn(C3CCCCO3)c1C)CCCC2,ARACIYJQIBUXHQ-UHFFFAOYSA-N
rxn:5:199278:226054:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc2c1N(C)C(=O)CC2,CFFLRXWHWKYHEB-UHFFFAOYSA-N
rxn:5:199278:226738:225943,CC(=O)c1ccc(-c2cc3c(c(-c4ccc(C(=O)N5CCOCC5)s4)c2)N(C)C(=O)CC3)c([N+](=O)[O-])c1,QMZXYVMQPMRPAR-UHFFFAOYSA-N
rxn:5:199278:226837:225988,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3c(F)cc(C4OCCO4)cc3F)c1)N(C)C(=O)CC2,WYVLKKUMFPTPOZ-UHFFFAOYSA-N
rxn:5:199279:225448:225584,Cc1ccc(OC2CCCC2)c(-c2cc(-c3ccc(C(=O)N4CCCC4)cc3)cc3c2CCN(C)C3=O)c1,KZOBFRDNNWOLAE-UHFFFAOYSA-N
rxn:5:226901:193753:227450,CC1CCCCN1C(=O)c1cc(-c2cccc(C3CC3(F)F)c2)cc(-c2cccc(S(F)(F)(F)(F)F)c2)c1,JBGVUUPCUPJHDX-UHFFFAOYSA-N
rxn:5:227688:190131:227710,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(OS(C)(=O)=O)cc2)c1OC,NEZIMOWIEHVQIX-UHFFFAOYSA-N
rxn:5:227691:190131:227710,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC)ccc1[N+](=O)[O-],LSSGMRPTCMOUAW-UHFFFAOYSA-N
rxn:4:173641:222629,Cc1oc2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,AUQHBJVNOZWHPU-UHFFFAOYSA-N
rxn:4:173855:223695,CCOC(=O)CC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(F)c1,VDLGKPCVAABBIP-UHFFFAOYSA-N
rxn:4:173913:223606,CCOC(=O)CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,ZXZSNXZTZIDZCA-UHFFFAOYSA-N
rxn:4:174152:224101,COC(=O)C(C)(C)COc1ccc(-c2cccc(OCCN3CCC(C)CC3)c2)c(F)c1,CJRLHDKULQUFPJ-UHFFFAOYSA-N
rxn:4:174189:223712,CCOC(C)(OCC)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,NXAHTZZAHRLRJC-UHFFFAOYSA-N
rxn:4:174372:223835,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,CCBGUQRYOOVXAL-UHFFFAOYSA-N
rxn:4:174406:224426,COC(=O)C1(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)CC(OC)(OC)C1,QQCDQZWSXKTNFA-UHFFFAOYSA-N
rxn:4:174406:224963,COC(=O)C1(c2ccc(-c3cccc(COC4CCOCC4)c3)cc2)CC(OC)(OC)C1,CJFVJWQDIZSJBF-UHFFFAOYSA-N
rxn:4:174406:224964,COC(=O)C1(c2ccc(-c3ccc(COC4CCOCC4)cc3)cc2)CC(OC)(OC)C1,ZJWMTKXLJZTGEK-UHFFFAOYSA-N
rxn:4:174407:222854,COC(=O)C1(c2cccc(-c3cc(C4CCCNC4)ccc3OC)c2)CC(OC)(OC)C1,JBGYZRSPSGOURA-UHFFFAOYSA-N
rxn:4:174407:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(C3(C(=O)OC)CC(OC)(OC)C3)c2)c(C)c1,KLTGFJCWOXAKDZ-UHFFFAOYSA-N
rxn:4:174407:224598,COC(=O)C1(c2cccc(-c3ccc(N4CCC(C)CC4)cc3OC)c2)CC(OC)(OC)C1,AUXZEGPTPGMCMF-UHFFFAOYSA-N
rxn:4:174407:224964,COC(=O)C1(c2cccc(-c3ccc(COC4CCOCC4)cc3)c2)CC(OC)(OC)C1,NSHVYURDEVDQBE-UHFFFAOYSA-N
rxn:4:174468:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C,KQAGSFKJYPQJDT-UHFFFAOYSA-N
rxn:4:174519:223997,Cc1cc(-c2cc(F)c(OC3CCC(OCc4ccccc4)CC3)c(F)c2)cc(C)c1S(=O)(=O)N1CCOCC1,UPOOJOCRHAFBBV-UHFFFAOYSA-N
rxn:4:174663:222415,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(F)c(S(N)(=O)=O)c2)cc1,NBMFJMWWQAPFHA-UAJPHTGBSA-N
rxn:4:174663:223214,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3c(c2)CCNC3=O)cc1,NXNUIQHXLPHHJG-AMNGXLNPSA-N
rxn:4:174663:224896,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1,DOWRDZZBCOXPQY-JKUFBEDSSA-N
rxn:4:174663:225206,Cc1cc(C2CC2)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C(F)(F)F,SVBNQAYSRPCPCS-SRHSFPHBSA-N
rxn:4:174663:225397,Cc1cccc(-c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2)c1,MGUJJVRKJDRWCR-BUCKXXSGSA-N
rxn:4:174663:226755,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)cc1F,CZMUTVMYMLIRMP-UUARSUJXSA-N
rxn:4:174663:227578,COc1cc(OC)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1Cl,LREQJUVZXXQOBJ-FVGXOMELSA-N
rxn:4:174663:227990,CC(C)c1cc(Cl)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,IXLBVUMEHIPWFR-IRBBSKTLSA-N
rxn:4:174663:228169,CCOc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1Cl,RKDZCEHNGNTFBI-FVTPAXNCSA-N
rxn:4:174663:228537,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3occc23)cc1,KEHGTZGEYOLUEK-OUYRWIGOSA-N
rxn:4:174663:228586,CC(C)c1ncccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,GFHYHVBYVZQPRJ-OUYRWIGOSA-N
rxn:4:174663:228980,C#Cc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,VZHRACBXCCGYBN-MCPNDBPUSA-N
rxn:4:174663:229165,COc1nccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)n1,PBMOSRYOLQJGSN-YLOZASHQSA-N
rxn:4:174918:223814,COC(=O)c1ccc(Cl)c(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1C(=O)OC,NWWDFKVVDRQPNA-UHFFFAOYSA-N
rxn:4:175360:223659,CCOC(=O)c1cc(C)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1F,SHJPIJQYWJBVEG-UHFFFAOYSA-N
rxn:4:175521:223474,CC(C)(C)C(=O)COc1cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1Cl,HKTMTYNMXPEQKD-UHFFFAOYSA-N
rxn:4:175804:223712,COc1ccc(-c2ccccc2CCC(=O)C(C)(C)C)cc1C12CC3CC(CC(C3)C1)C2,AXBVNLKFZSHWFW-UHFFFAOYSA-N
rxn:4:176091:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C,CGIJLAKIVXAWHK-UHFFFAOYSA-N
rxn:4:176101:224552,CC(C)(C)[Si](C)(C)OCc1cc(F)c(-c2cc(F)cc(COC3CCCCC3)c2)c(F)c1,ORCODDVKYCMUMC-UHFFFAOYSA-N
rxn:4:176156:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CO[Si](C)(C)C(C)(C)C)cc1C,JTWPAYQFYANACN-UHFFFAOYSA-N
rxn:4:176215:223953,COCCOC1CCCOc2cc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)ccc21,FLJDHFWLGDPRPC-UHFFFAOYSA-N
rxn:4:176215:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)OCCCC3OCCOC)CC1,RACZPSTXQUWUCR-UHFFFAOYSA-N
rxn:4:176316:224037,CC(C)(C)c1ccc(-c2ccccc2-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc1,GTAATCYOWBDBLW-UHFFFAOYSA-N
rxn:4:176929:223671,COC(=O)c1cc(F)c(F)c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC,RGWYSCSPFSVTQY-UHFFFAOYSA-N
rxn:4:177158:223527,CCOC(=O)c1cc(C)ccc1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,DMYLTMHLGNDUAM-UHFFFAOYSA-N
rxn:4:177737:223650,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,MBCUQGXYUUIXFO-UHFFFAOYSA-N
rxn:4:178116:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(COC4CCCCO4)cc3)cc12,VDQWWYCNJSYKBH-UHFFFAOYSA-N
rxn:4:178317:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1c(F)cccc1O[Si](C)(C)C(C)(C)C,SYCPNIOTVMKFKW-UHFFFAOYSA-N
rxn:4:178598:224633,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(CN3CCOCC3)ccc2OC)c1,UVIVBWSTCQLLTM-UHFFFAOYSA-N
rxn:4:178598:224650,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2OCC2CCOCC2)c1,UFNLNDBGHWAWEA-UHFFFAOYSA-N
rxn:4:179319:223504,CC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1Cl,JNDQPKZEQSDNBR-UHFFFAOYSA-N
rxn:4:179653:224337,FC(F)(F)c1ncc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc1C1CCCCC1,JODQXVZLSVCIEJ-UHFFFAOYSA-N
rxn:4:180414:224684,CC1(C)OC(=O)C(=CSc2ccc(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)cc2)C(=O)O1,CVHBQBRFBOMQHH-UHFFFAOYSA-N
rxn:4:180454:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)ccc3OC3CCCCC3)c(F)c2)CC1,NXGMJYQBCQMVNQ-RQNOJGIXSA-N
rxn:4:182396:222631,CC(C)(C)c1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C2CCNCC2)n1,XRTUPKLKAKPYBR-UHFFFAOYSA-N
rxn:4:183271:224552,Fc1cc(COC2CCCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1,VBDSEMVJQANLRX-UHFFFAOYSA-N
rxn:4:183272:224047,CN(Cc1ccccc1)Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,ORSUGYNBIYJVQT-UHFFFAOYSA-N
rxn:4:183272:227992,c1cc(C2COC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OKICORQKAKYVEV-UHFFFAOYSA-N
rxn:4:183273:224038,CC1(C)c2cc(Cl)ccc2-c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc21,RGQAHBVAPIOQBV-UHFFFAOYSA-N
rxn:4:183273:226123,COCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1C1CC1,DONJFVDUHXRWTH-UHFFFAOYSA-N
rxn:4:183273:226126,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C1CC1,KIRDUAZJXJOAIZ-UHFFFAOYSA-N
rxn:4:183273:226736,N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FVNPRMGWHZYUIN-UHFFFAOYSA-N
rxn:4:183273:228465,COC(=O)c1sc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,WENIVWPRLSAFIA-UHFFFAOYSA-N
rxn:4:183273:229000,CCc1ccncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZCHXPLSTRHHOPO-UHFFFAOYSA-N
rxn:4:183274:227134,c1cc(-c2ccoc2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,BHRKSZXFKDWBOX-UHFFFAOYSA-N
rxn:4:183274:228229,O=c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccn1C1CC1,ZQOWHZIKAZRDGQ-UHFFFAOYSA-N
rxn:4:183481:224817,CCOC(=O)C(=O)Cc1c(-c2ccccc2S(=O)(=O)N2CCOCC2)cccc1[N+](=O)[O-],UHMJMGJBCMPQTE-UHFFFAOYSA-N
rxn:4:183482:222818,CCOC(=O)C(=O)Cc1ccc(-c2cc(C(=O)OC)c(NC(C)=O)cc2F)cc1[N+](=O)[O-],NIMZXWDUDKPQCP-UHFFFAOYSA-N
rxn:4:183486:222803,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,ZMRQZZMEWANRAI-UHFFFAOYSA-N
rxn:4:183624:224244,CCN(CC)C(=O)COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)cc1F,FVUPOOHNBQMWDG-UHFFFAOYSA-N
rxn:4:183746:223696,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1,HHXQBEUDSPVWMS-UHFFFAOYSA-N
rxn:4:183808:226555,CCCOc1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c(F)cc1F,QQYHARITIUNWJV-UHFFFAOYSA-N
rxn:4:183839:225368,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1,SKSCGINTYZWHRV-UHFFFAOYSA-N
rxn:4:183878:222948,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)C1,CSFNOGFZYXHEFJ-UHFFFAOYSA-N
rxn:4:183882:223788,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)C1,NFESVUHZUCMHIZ-UHFFFAOYSA-N
rxn:4:183906:222612,CCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,DHXWRJYPDHXIHY-UHFFFAOYSA-N
rxn:4:183927:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc([N+](=O)[O-])c1CCO[Si](C)(C)C(C)(C)C,PROVIWNNQVFZPK-UHFFFAOYSA-N
rxn:4:184001:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,NKSJJBGSZUTJEL-UHFFFAOYSA-N
rxn:4:184006:225611,COc1ccc(C(=O)N(c2ccc(-c3ccc(N4CCCC4)cc3OC)cc2)C2C=CS(=O)(=O)C2)cc1OC,KJQBDRTXMJTPRG-UHFFFAOYSA-N
rxn:4:184014:224279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c2)CC1,AMYSWHCECFMNBR-UHFFFAOYSA-N
rxn:4:184026:223750,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccc4cccnc4c3O[Si](C)(C)C(C)(C)C)ccc2Cl)C1,QGWNJVFJKJRFQU-UHFFFAOYSA-N
rxn:4:184027:223500,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,YYDLPXBFSHOAQH-UHFFFAOYSA-N
rxn:4:184029:223598,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2F)CC1,XZULEOBRNXHPEG-UHFFFAOYSA-N
rxn:4:184056:223884,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,VIYTWLUBONABLE-UHFFFAOYSA-N
rxn:4:184092:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)CC1,ZAFMIZGOUKZNCB-UHFFFAOYSA-N
rxn:4:184187:222948,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2S1(=O)=O,IAJBQDSCFCYNHC-UHFFFAOYSA-N
rxn:4:184195:223649,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,OMQQUYBPMTYVPA-UHFFFAOYSA-N
rxn:4:184517:223695,CCOC(=O)Cc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c([N+](=O)[O-])c1,AOLIEVOROVUXJH-UHFFFAOYSA-N
rxn:4:184774:224684,O=C1CCN(C(=O)c2ccc(-c3cccc(CCC(=O)ON4C(=O)CCC4=O)c3)cc2)CC1,JZOXXKINRHSNMX-UHFFFAOYSA-N
rxn:4:184814:223669,CCN(CC)CCc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1Cl,KWEWCFNPWJEQCO-UHFFFAOYSA-N
rxn:4:184918:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccccc3OCCCN3CCC(F)(F)C3)c2)C1,ARXSYRUGSFRBHP-UHFFFAOYSA-N
rxn:4:185025:223790,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)C1,YQNXKVNCEKIZOA-UHFFFAOYSA-N
rxn:4:185045:226716,CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(-c3ccn(C(=O)OC(C)(C)C)n3)c2)C1,VDIMNHTUHZGPOG-UHFFFAOYSA-N
rxn:4:185159:224704,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)c1,OVJXLMHJFLYESG-UHFFFAOYSA-N
rxn:4:185208:226765,COC(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(F)c1F,KGBZJPYNPHTQNY-UHFFFAOYSA-N
rxn:4:185313:223532,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,PRTLIZZDQMZMCI-UHFFFAOYSA-N
rxn:4:185323:223935,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cc2F)CC1,GVFCAVZOTFJSOF-UHFFFAOYSA-N
rxn:4:185352:222947,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2)CC1,FOXHOPQNTADDHQ-UHFFFAOYSA-N
rxn:4:185371:226729,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OC4CCOC4)nc3)cc2)CC1,MAPSBXGJFWOWSS-UHFFFAOYSA-N
rxn:4:185377:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,XFBHEMNIJRANBH-UHFFFAOYSA-N
rxn:4:185382:224604,Cc1nc2cc(-c3ccc(C(F)(F)F)c(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)cc2n1C(C)(C)C,SFTPIGGPJGRRRV-UHFFFAOYSA-N
rxn:4:185384:225232,CC1CCN(c2cc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)cnc2Cl)CC1,PZGBZWXBSYQALY-UHFFFAOYSA-N
rxn:4:185388:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)cc2)CC1,KJXWQPRFJHKUSD-UHFFFAOYSA-N
rxn:4:185405:226511,CC(C)(C)OC(=O)N1CCC(c2ccc(C3CC3)cc2-c2cc(Cl)cnc2OCC2CC2)C1,WLSQKRHCXLQESN-UHFFFAOYSA-N
rxn:4:185413:223774,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cc2c(OC)cccc2n1C(=O)OC(C)(C)C,GHOGMVHXYRQSSO-UHFFFAOYSA-N
rxn:4:185413:225758,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccncc1C(=O)OC(C)(C)C,UVBDBWGQXLFFGN-UHFFFAOYSA-N
rxn:4:185421:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1C1CC1,IGPFQUHCQKXMMZ-UHFFFAOYSA-N
rxn:4:185439:226295,CC(C)OCc1ccc(F)cc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,NVASWOWXTXKTON-UHFFFAOYSA-N
rxn:4:185483:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(F)c(OCCCN4C(=O)c5ccccc5C4=O)c3)c2)C1,VUDYXTPJQMNFPO-UHFFFAOYSA-N
rxn:4:185505:223811,C[Si](C)(C)CCOCn1ccc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc21,OJPOATBVYVVRCJ-UHFFFAOYSA-N
rxn:4:185545:223638,CC(C)(C)OC(=O)N1CC(Oc2ccc3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)ccc3c2)C1,VMUIDFFSQZHCLF-UHFFFAOYSA-N
rxn:4:185547:225926,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)ccc3oc2=O)CC1,DVKTYKQUZVZWLU-UHFFFAOYSA-N
rxn:4:185625:225264,COC(=O)c1ccc(-c2ccc(-c3coc4cc(OCCN5CC(C)OC(C)C5)ccc4c3=O)cc2)cc1C(=O)OC,SNIKAYZFJIJXHX-UHFFFAOYSA-N
rxn:4:185914:223761,COC(=O)c1cc(C(F)(F)F)c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc1C#N,KNONPSCOLWONFZ-UHFFFAOYSA-N
rxn:4:186533:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2)CC1,MMIAOBKEVYMTDD-UHFFFAOYSA-N
rxn:4:186660:224882,COc1cccc(-c2ccc(CN3CCCCCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,SYEBHUUFGACREH-UHFFFAOYSA-N
rxn:4:187074:222524,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1CN1CCOCC1,RPOPZQJDFDPXHY-UHFFFAOYSA-N
rxn:4:187183:224254,COC(=O)C1CCN(Cc2ccccc2-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)CC1,GTDLWKBVOULAPP-UHFFFAOYSA-N
rxn:4:187184:224704,COC(=O)C1CCN(Cc2cccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c2)CC1,NISXTYOLTWFBBT-UHFFFAOYSA-N
rxn:4:187206:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3Cl)ccn2)CC1,UDVGWACWOUNTRM-UHFFFAOYSA-N
rxn:4:187206:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)c(Cl)c1,JMMCLJHKQFIKJP-UHFFFAOYSA-N
rxn:4:187214:223578,CC(C)(C)OC(=O)N1CC(c2cc(F)cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)c2)C1,NNQHXYSYDYFENW-UHFFFAOYSA-N
rxn:4:187219:222948,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2F)C1,OONPIMQKOZUJOL-UHFFFAOYSA-N
rxn:4:187222:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)C1,CKQHJAWWBTUDSR-UHFFFAOYSA-N
rxn:4:187250:224598,COC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)c(CN2CCCC(F)(F)C2)c1,TZEVAQJQBRERPR-UHFFFAOYSA-N
rxn:4:187311:224591,CC1CCN(Cc2cc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C)C3)ccc2Cl)CC1,NWFDWFMINDVGBT-UHFFFAOYSA-N
rxn:4:187373:223001,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cc(C2CCCNC2)ccc1F,SKMLAFIPSOCZEG-UHFFFAOYSA-N
rxn:4:187405:224246,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,ODOWIWSPCOBAQE-UHFFFAOYSA-N
rxn:4:187413:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2C1,OPIWQOKYZJSSLQ-UHFFFAOYSA-N
rxn:4:187420:225232,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,CEWIJFIZZWKPRQ-UHFFFAOYSA-N
rxn:4:187420:225287,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)ncc1C(=O)OC(C)(C)C,PZLZDIFIEPNORL-UHFFFAOYSA-N
rxn:4:187437:224974,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccccc2CN2CCN(C)CC2)c1,OYNKXCHWIOONGO-UHFFFAOYSA-N
rxn:4:187445:226896,COCn1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(C(F)(F)F)n1,WFWNVZURCVEETO-UHFFFAOYSA-N
rxn:4:187488:224770,CCOc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,YDTOWLGCVDXXFS-UHFFFAOYSA-N
rxn:4:187493:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1C1CN(C(=O)OC(C)(C)C)CCO1,CPKUOFFDYBVACU-UHFFFAOYSA-N
rxn:4:187505:224874,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cccc(COC4CCCCC4)c3)cc2Cl)C1,HXWLNJCIVGZZQR-UHFFFAOYSA-N
rxn:4:187593:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)c2C1,BFQDYEOYYUKCEU-UHFFFAOYSA-N
rxn:4:187626:226770,CCOc1ccc(-c2cc(C(=O)OC)c(Cl)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,BZHZPEVCWOSUKJ-UHFFFAOYSA-N
rxn:4:187681:223773,COc1cccc2cc(-c3cc(C)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)n(C(=O)OC(C)(C)C)c12,FHAVQYOWRKBRLG-UHFFFAOYSA-N
rxn:4:187910:224819,CSC1CC2CCC(C1)N2C(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,VIWQIQOUSGADNZ-UHFFFAOYSA-N
rxn:4:187916:224670,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(CN2CCN(C)CC2)ccc1F,HOVBYPZXDDVMRR-UHFFFAOYSA-N
rxn:4:187944:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,AJZSAXDVVKPYRP-UHFFFAOYSA-N
rxn:4:187944:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,ZZWLPUHRLMMVAF-UHFFFAOYSA-N
rxn:4:187944:224963,c1cc(COC2CCOCC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,NXXQWDJFFUIDPZ-UHFFFAOYSA-N
rxn:4:187944:224964,c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1COC1CCOCC1,HOQKWTOMTNJTFI-UHFFFAOYSA-N
rxn:4:187944:225717,COCCOCc1ccc(F)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,GDXDSFQQFYOZLC-UHFFFAOYSA-N
rxn:4:187944:226152,COc1cc(C2CC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1C,FDRDTJTXCVCRJD-UHFFFAOYSA-N
rxn:4:187944:226265,COCCOc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1C,JLFCFAFWNKTAIM-UHFFFAOYSA-N
rxn:4:187944:226355,COc1cc(Cl)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1C1CC1,YVVFPNNTHLDAPD-UHFFFAOYSA-N
rxn:4:187944:226485,COCCOc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1Cl,WXLQGMWVTTYFRR-UHFFFAOYSA-N
rxn:4:187995:223121,CCc1cc(-c2ccc(C(=O)NC3CC3)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,UESLFGNCMMWRSZ-UHFFFAOYSA-N
rxn:4:188095:223748,COC(=O)c1sc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nc1C(F)(F)F,SSFQJVOBPJGRDL-UHFFFAOYSA-N
rxn:4:188174:223784,CCN1CCN(CCOc2ccc(-c3cc([N+](=O)[O-])c(OC(F)F)cc3F)cc2F)CC1,OKWXEVTXMBVVAT-UHFFFAOYSA-N
rxn:4:188339:223606,CCOC(=O)c1oc(C)nc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,PZUHDDGNOFEBAC-UHFFFAOYSA-N
rxn:4:188464:223695,COC(=O)c1cc(F)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],MCJAFNRVZRFGFF-UHFFFAOYSA-N
rxn:4:188531:223591,CCOc1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1[N+](=O)[O-],HMYLMBCZASPBAC-UHFFFAOYSA-N
rxn:4:188627:223697,CCOc1cc([N+](=O)[O-])c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1F,HTTRCICOCJPKOK-UHFFFAOYSA-N
rxn:4:188756:223534,COC(=O)c1cc(C)cc(C#N)c1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,WAZLFXJHURHJQF-UHFFFAOYSA-N
rxn:4:189216:224817,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1F,LEDYMABUHACOMD-UHFFFAOYSA-N
rxn:4:189217:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1c(F)cccc1C(=O)ON1C(=O)CCC1=O,RCVYBMPZEGUNEM-UHFFFAOYSA-N
rxn:4:189795:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N(C)C)c(OC)cc1C,XURDVUJVTXEQME-UHFFFAOYSA-N
rxn:4:189811:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(C2(C#N)CCCC2)c1,RQUCLMFOAWRGMF-UHFFFAOYSA-N
rxn:4:189866:225295,O=S(=O)(c1cc(-c2ccccc2S(=O)(=O)N2CCCC2)cc(C(F)(F)F)c1)N1CCCC1,QAYNVJUNWOXZNN-UHFFFAOYSA-N
rxn:4:190123:224089,CC1CCN(CCOc2ccc(-c3ccc(C4(C(=O)N5CCCC5)CC4)cc3)cc2)CC1,RAVURSPXXXFTGC-UHFFFAOYSA-N
rxn:4:190166:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,LIFIHVYXNNVEGO-UHFFFAOYSA-N
rxn:4:190238:225226,COC1CCN(S(=O)(=O)c2cc(-c3cc(N4CCC(C)CC4)ncc3F)c(F)cc2F)CC1,MDEJVZHTOXIYDQ-UHFFFAOYSA-N
rxn:4:190258:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOC[C@H]4C)ccc3OC)c(F)c2)CC1,ZICHCVHPOYSVGL-MQSCRBSSSA-N
rxn:4:190327:224830,CS(=O)(=O)c1ccc(CN2CCCCC2)c(-c2cc(C(F)(F)F)nn2C2CCCCO2)c1,ZNBLLONUSMZTDV-UHFFFAOYSA-N
rxn:4:190385:224830,CCC(=O)C1CCCN(c2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c(C)c2)C1=O,IGNUMGCGZFOMTC-UHFFFAOYSA-N
rxn:4:190476:224971,CN1CCN(Cc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(C(C)(C)C)c3)cc2)CC1,MIJNKBHFWRAWKZ-UHFFFAOYSA-N
rxn:4:190927:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2=O,NHYRDOAKGNKSRB-UHFFFAOYSA-N
rxn:4:190931:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)OC(C)(C)C)cc2C1,HHDTVXLXLZJCFC-UHFFFAOYSA-N
rxn:4:190999:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3c(c2)CN(Cc2ccccc2C(F)(F)F)C(=O)CO3)cc1,XKTHKCNEASYFGT-SOAUALDESA-N
rxn:4:191099:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)cc2Cl)CC1,ROJQDDJXYGYWRN-UHFFFAOYSA-N
rxn:4:191116:222426,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)ccc12,RZROCKCAPOLBQT-UHFFFAOYSA-N
rxn:4:191129:223933,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cc5cc(F)ccc5n4C(=O)OC(C)(C)C)ccc3O2)CC1,SFRGKHKHZFJYDY-UHFFFAOYSA-N
rxn:4:191206:228705,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4cccnc4N(C)C)c3)C3=C(CCCC3=O)N1CC2,JRFBUPZAYZOBOF-UHFFFAOYSA-N
rxn:4:193269:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cc(S(=O)(=O)N2CCCC2)c(F)cc1F,PUYPMHZSIPCBMK-UHFFFAOYSA-N
rxn:4:193357:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,SUWBBEIZOGIHQT-UHFFFAOYSA-N
rxn:4:193391:222629,CC(C)(C)c1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc(C2CCCNC2)n1,CVBXDRWQPPPIKY-UHFFFAOYSA-N
rxn:4:193563:223900,Cc1cc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)cc(S(=O)(=O)N2CCCC2)c1,MHWQNJQPWPWQMY-UHFFFAOYSA-N
rxn:4:193691:224764,O=C(c1ccc(-c2ccc(C(=O)N3CCC(=C4CC4)CC3)o2)c(F)c1)N1CCOCC1,IRUKQBVEKQTIQZ-UHFFFAOYSA-N
rxn:4:193737:223844,C[C@H](c1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F)N1CCC(=O)CC1,OWYCFBIBOGZAME-QGZVFWFLSA-N
rxn:4:193837:224830,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)nn1C1CCCCO1,VFIQHJHOKPLPTI-UHFFFAOYSA-N
rxn:4:193844:223489,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(S(=O)(=O)N2CCCCC2)c1,QBUWOEMGAYOFEY-UHFFFAOYSA-N
rxn:4:193877:222742,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CC1,VPFWOGPUFCMTJG-UHFFFAOYSA-N
rxn:4:193935:225371,COC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)o2)cnc1C(F)(F)F,WDIDQPZGVOGONB-UHFFFAOYSA-N
rxn:4:193957:222389,Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,RTULOLOHFCASJM-UHFFFAOYSA-N
rxn:4:193973:223084,O=S(=O)(c1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1)N1CCC2(CC1)OCCO2,MGVYCFWPMBYTTI-UHFFFAOYSA-N
rxn:4:193974:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)CC1,DZMZFCRVUOCIPS-UHFFFAOYSA-N
rxn:4:193974:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,IDYJQGFDNXWFRY-UHFFFAOYSA-N
rxn:4:193999:224956,Cc1cc(-c2cccc(O[Si](C)(C)C(C)(C)C)c2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,LQSIFOAXRZBKNF-UHFFFAOYSA-N
rxn:4:194712:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)c2F)C1,MEODDUBENHNEKA-UHFFFAOYSA-N
rxn:4:194730:223597,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)ccc32)CC1,RBZPTJDHAIBABU-UHFFFAOYSA-N
rxn:4:194730:223598,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)ccc32)CC1,NREASRVAEZCRKG-UHFFFAOYSA-N
rxn:4:194731:223598,COC1CCN(C2CCc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc32)CC1,DTRWTXUYHDPDAD-UHFFFAOYSA-N
rxn:4:194741:224015,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1cc(S(=O)(=O)N3CCOCC3)c(C)cc1F)C2,YTTNZZKTRTXICR-UHFFFAOYSA-N
rxn:4:194768:224494,COC1CCN(C2CCCc3cc(-c4ccc(CCOC5CCCCO5)cc4)ccc32)CC1,KIZKDQIRDLUFJD-UHFFFAOYSA-N
rxn:4:194768:224962,COC1CCN(C2CCCc3cc(-c4ccccc4COC4CCOCC4)ccc32)CC1,JPWNLTKIADVJHC-UHFFFAOYSA-N
rxn:4:194768:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)CCCC2N1CCC(OC)CC1,GEWJVVFJLYAERV-UHFFFAOYSA-N
rxn:4:194819:223499,CC(C)Cn1c2c(c3cc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc31)CCCC2,COLCSIJBGJNFOA-UHFFFAOYSA-N
rxn:4:196130:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(C4CC(=O)C4)c3)cc2Cl)CC1,VHVIQNQRWCRXRX-UHFFFAOYSA-N
rxn:4:197856:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)OC(=O)N(C3CCC3)C4)cn2)CC1,LHKSYCWPXJVVDL-UHFFFAOYSA-N
rxn:4:197986:224494,CC1CCCCN1C1CCCc2c(-c3ccc(CCOC4CCCCO4)cc3)cccc21,NPIYBNVHCXJNBX-UHFFFAOYSA-N
rxn:4:199334:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)N(C)CCC2(C)C,BMKPSLVJBBQWOB-UHFFFAOYSA-N
rxn:4:199557:223774,COc1cccc2c1cc(-c1ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,AVTLHJPYVFCDGV-UHFFFAOYSA-N
rxn:4:199650:224162,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,NDQARUHZHITVEZ-UHFFFAOYSA-N
rxn:4:199698:225345,CCOc1ccc(-c2cc(S(=O)(=O)N(C)C)ccc2OC)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,NQCDNBSWZGTVJO-UHFFFAOYSA-N
rxn:4:199713:227034,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1c(C#N)cccc1C1CC1,DRQSXEQHKMDILN-UHFFFAOYSA-N
rxn:4:199766:224290,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,YKOIHNOZHMLKIE-UHFFFAOYSA-N
rxn:4:199776:222418,COc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,XAAAPOVALKETHW-UHFFFAOYSA-N
rxn:4:199784:223591,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,OJYUINBAQIZLQR-UHFFFAOYSA-N
rxn:4:199785:223499,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BCAQGXFXAHKKHK-UHFFFAOYSA-N
rxn:4:199790:223602,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,ODKKNCBVKUBRAO-UHFFFAOYSA-N
rxn:4:199790:223670,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,VWCUWBCQICKUBW-UHFFFAOYSA-N
rxn:4:199818:223994,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,LGTCMLYEIJDUSL-UHFFFAOYSA-N
rxn:4:199827:225947,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2cnc(N3CCN(C)CC3)nc2)cc1,ARUORBZJCVQPGB-UHFFFAOYSA-N
rxn:4:199828:223594,CN(Cc1c(Cl)cccc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1,SBPCBNAVRIJNBE-UHFFFAOYSA-N
rxn:4:199830:223928,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1Cl,LUWFMVPBUFSQHY-UHFFFAOYSA-N
rxn:4:199830:224720,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)ccc1Cl,HKWXFDWENPQTMF-UHFFFAOYSA-N
rxn:4:199840:228699,CN(C)c1cncc(-c2ccc(C3CCCN3C(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)c1,OOLLNCIIAYNUCX-UHFFFAOYSA-N
rxn:4:199842:228192,Cc1nc(N(C)C)ccc1-c1ccc(C(F)(F)F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1C,VQUHYRGLZGNYIO-UHFFFAOYSA-N
rxn:4:199846:223832,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,SKEUDCLVJFWVDP-UHFFFAOYSA-N
rxn:4:199860:224397,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,ZCPZJSWDKYJLFT-UHFFFAOYSA-N
rxn:4:199864:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccc(OC)c3OC)C2)cc1,UWRGBMSNOVJUAC-UHFFFAOYSA-N
rxn:4:199865:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1,SGIZRRIOQFYPED-WJOKGBTCSA-N
rxn:4:200026:228090,CCOCc1cncc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)c1,WEVGAAQLZCORFN-UHFFFAOYSA-N
rxn:4:200167:223540,COC(=O)CSc1nnc(-c2ccccc2-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)o1,ACDKCMJKFPLQSR-UHFFFAOYSA-N
rxn:4:200370:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,NGISSXVCGNTFBV-UHFFFAOYSA-N
rxn:4:200372:225159,O=C(CCc1ccccc1-c1cccc(C(=O)N2CCOCC2)c1)N1CC(N2C(=O)CSC2=O)C1,PCPPYOLMCDXGHT-UHFFFAOYSA-N
rxn:4:200386:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)CC1,URPHEUBRMRKQAA-UHFFFAOYSA-N
rxn:4:200470:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCCCC1C,KJFCYUAVDPDLSN-UHFFFAOYSA-N
rxn:4:200492:228299,CCOC(=O)c1csc(-c2ccccc2CCC(=O)N2CC(N3C(=O)CCC3=O)C2)c1,IRSWHYNQEOOMIS-UHFFFAOYSA-N
rxn:4:200555:225876,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cc(Cl)ccc3N3CCOCC3)n2)C1,DQLWCNKVFPMYLS-UHFFFAOYSA-N
rxn:4:200559:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3coc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,UKHDGNGIUNYDQK-UHFFFAOYSA-N
rxn:4:200559:223505,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)co2)CC1,NXOCROUNIJFIEQ-UHFFFAOYSA-N
rxn:4:200575:228456,COc1nc(SC)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C(F)(F)F,VSKPQHJGRYXQGH-UHFFFAOYSA-N
rxn:4:200602:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc1,XTXDQDTXBYXHPU-UHFFFAOYSA-N
rxn:4:200607:226716,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,XCCVWSSLJHFUCA-UHFFFAOYSA-N
rxn:4:200643:226485,COCCOc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1Cl,UWDGJLMTXDTFDS-UHFFFAOYSA-N
rxn:4:200644:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(S(=O)(=O)N4CCN(CC)CC4)cc3OC)cc2)CC1,VNYFJALAELTNFY-YHBQERECSA-N
rxn:4:200657:224276,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)c2)C1,AQNLTYHBYMFCIG-UHFFFAOYSA-N
rxn:4:200659:223939,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(F)c2)CC1,AUDFSZCUMWFIBZ-UHFFFAOYSA-N
rxn:4:200659:226502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)c(F)c2)CC1,OOOOGDHZRNPEKF-UHFFFAOYSA-N
rxn:4:200671:227048,CC(C)C(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,BXVXPKWNAHOQOJ-UHFFFAOYSA-N
rxn:4:200671:228743,N#Cc1ccc(Cl)cc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,QHXQYWIFCOAMSF-UHFFFAOYSA-N
rxn:4:200700:223773,COc1cccc2cc(-c3cc(Cl)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,VWYVWLBNJJUCAI-UHFFFAOYSA-N
rxn:4:200710:223884,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,JKSZFQJUDKJAQH-UHFFFAOYSA-N
rxn:4:200730:222982,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2C(F)(F)F)CC1,VFLDKCXQCJQRIY-OAQYLSRUSA-N
rxn:4:200730:225510,COc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c2ccc(C)nc12,FMCSLENNMVAJQM-UHFFFAOYSA-N
rxn:4:200734:224720,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c(F)c2)CC1,FBLFXRZYTGYDKC-UHFFFAOYSA-N
rxn:4:200734:226715,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)c(F)c2)CC1,CFXHGIZNPAPVDO-UHFFFAOYSA-N
rxn:4:200756:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,RXFBQFNIBCRRTG-FBSWEULCSA-N
rxn:4:200774:225891,COc1cc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4cccc(OC)c4OC)C3)cc2)cnc1C(OC)OC,XESMGSGHLDFHCL-UHFFFAOYSA-N
rxn:4:200774:225892,COc1cnc(C(OC)OC)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3OC)C2)cc1,DWIJTBZNIONUJB-UHFFFAOYSA-N
rxn:4:200785:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(OC)ccc(OC)c1-c1c(N(C)C)cccc1N(C)C,VZSXOPRRRBZOKR-UHFFFAOYSA-N
rxn:4:200785:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1c(OC)ccc(OC)c1-c1c(N(C)C)cccc1N(C)C,KVWJRQSQCQSBKK-UHFFFAOYSA-N
rxn:4:200791:223975,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c2)CCN1C(=O)OC(C)(C)C,ICDPJBANNNMMHF-KRWDZBQOSA-N
rxn:4:200799:227359,COC(=O)c1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1C,RWPYZZSMQPGZOL-UHFFFAOYSA-N
rxn:4:200802:223881,CCOc1ccc(-c2cc3ccc(C)cc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,BERRCIIFRUIHIL-UHFFFAOYSA-N
rxn:4:200803:222741,CCOc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,JJXVSZWLMWJXPQ-UHFFFAOYSA-N
rxn:4:200803:223001,CCOc1ccc(-c2cc(C3CCCNC3)ccc2F)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,WBJLOQKEBKGWIO-UHFFFAOYSA-N
rxn:4:200822:223507,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,SPBDKZMLOFMEBX-UHFFFAOYSA-N
rxn:4:200823:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,XICLQGAJTDTLGD-UHFFFAOYSA-N
rxn:4:200824:222792,Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WRCPJCVCVPKAJQ-UHFFFAOYSA-N
rxn:4:200824:223683,Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DLXCSQYZLVHPGV-UHFFFAOYSA-N
rxn:4:200828:225840,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cnc(-c3ccncc3)c(Cl)c2)c(F)cc1F,DVAZJMMWQOIHQE-UHFFFAOYSA-N
rxn:4:200831:222540,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2)cc1C,ONHBPTSFQOVCBV-UHFFFAOYSA-N
rxn:4:200882:224102,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3cccc(C(=O)OCc4ccccc4)c3)c1)C2,XZAKCNJEVWBRKK-UHFFFAOYSA-N
rxn:4:200884:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cn2)CC1,UXSLXLISAOJLRH-UHFFFAOYSA-N
rxn:4:200888:222722,COc1ccc(C2CC(c3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,FXLRUAJPFKABEQ-UHFFFAOYSA-N
rxn:4:200888:224396,COc1ccc(C2CC(c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,USMMLVIULLRCHL-UHFFFAOYSA-N
rxn:4:200895:225233,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cnc2Cl)C1,QTXPIZAFZXHRDO-UHFFFAOYSA-N
rxn:4:200895:226714,CC(C)(C)OC(=O)n1nccc1-c1ccc(C(=O)N2CCCCC2CCN2CCCCCC2)cc1,GSXSJPCFYKJSDE-UHFFFAOYSA-N
rxn:4:200903:224753,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2C(C)C)CC1,HUCNMPMLXBMFLL-UHFFFAOYSA-N
rxn:4:201082:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-n4c(SCC=Cc5ccccc5)nc5ccccc5c4=O)cc3)cc2Cl)CC1,LBAAXBKXXQZOHE-UHFFFAOYSA-N
rxn:4:201089:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc2sc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,KWEQQQJGBDZKEI-UHFFFAOYSA-N
rxn:4:201564:223695,CCc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1C(=O)OC(C)(C)C,MMILIOBUEXDTED-UHFFFAOYSA-N
rxn:4:201765:226546,COC(=O)c1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1OC,YGQIKURDXUIXSG-UHFFFAOYSA-N
rxn:4:201774:225209,Cc1nc(N2CCCCC2C)ncc1-c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cs1,WAGWKLJONLIRNM-FUBQLUNQSA-N
rxn:4:201817:227403,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(N2CCCCC2)s1,JIGHLDITRBINRF-UHFFFAOYSA-N
rxn:4:201908:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cc1,IHLAWUAMXSYAHH-YHBQERECSA-N
rxn:4:201908:226332,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1)N1CCC1,LUDUVABYVKDFAA-UHFFFAOYSA-N
rxn:4:201923:225665,CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccc(Cl)cc3N3CCCCC3)n2)CC1,ZXPHFYZVTMWQBN-UHFFFAOYSA-N
rxn:4:201926:226837,Cc1nc(C2CCCN2C(=O)OC(C)(C)C)sc1-c1c(C)nn(CC(F)(F)F)c1C,WZBOOYDXSZFFAY-UHFFFAOYSA-N
rxn:4:201927:224161,CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cs2)CC1,WCENZPZXVQIHHD-UHFFFAOYSA-N
rxn:4:201928:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,QVEOIPBOMXFLBL-UHFFFAOYSA-N
rxn:4:201947:223527,CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCCC1,SJXUPUIRYLCGGZ-UHFFFAOYSA-N
rxn:4:201958:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2F)CC1,SYNWGBWYZBGTIR-UHFFFAOYSA-N
rxn:4:201958:224720,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c(F)n2)C1,PXWXWABIMVRWEN-UHFFFAOYSA-N
rxn:4:201962:225313,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(N3CCN(C)CC3)nc2F)c1,KDLKPVVBAPQUMO-UHFFFAOYSA-N
rxn:4:201967:225163,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccccc1C(=O)N1CCOCC1,IUZJPSSNTCQDOB-UHFFFAOYSA-N
rxn:4:201975:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,QCPPBAUMWGOKEB-UHFFFAOYSA-N
rxn:4:201995:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2C1,HCTKDXMDJXQEQO-UHFFFAOYSA-N
rxn:4:202002:225264,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)OC)c(C(=O)OC)c3)ccc2OC)CC1,IMZZIWZIKBRJCL-UHFFFAOYSA-N
rxn:4:202010:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)c2Cl)CC1,PTCXOYJGDNEULO-UHFFFAOYSA-N
rxn:4:202020:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnccc3C3CN(C(=O)OC(C)(C)C)CCO3)c2F)C1,IUCFNIFFZLRQKP-UHFFFAOYSA-N
rxn:4:202073:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1,WMLONJWLAJWNHW-UHFFFAOYSA-N
rxn:4:202075:226295,CC(C)OCc1ccc(F)cc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)C2=O)nc1,YVZKMNRJUHYDHR-UHFFFAOYSA-N
rxn:4:202122:222449,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,ABYDRHSCEMXYQU-UHFFFAOYSA-N
rxn:4:202122:224598,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(N2CCC(C)CC2)cc1OC,UTYQZCHVEUBJBG-UHFFFAOYSA-N
rxn:4:202126:223590,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,DMGCOFXIAHBLPS-UHFFFAOYSA-N
rxn:4:202126:224414,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1,VBKAEPLLPQICHG-UHFFFAOYSA-N
rxn:4:202133:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,RAUBPANBOMTLRV-UHFFFAOYSA-N
rxn:4:202146:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2F)cnc1Cl,BWRSHXBXXHHVLG-UHFFFAOYSA-N
rxn:4:202161:222673,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C(=O)NC2CCCCC2)ccc1Cl,XVAFIPOBJWRHNA-UHFFFAOYSA-N
rxn:4:202161:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2OC)c1,DMZUNFZKJMZBOG-UHFFFAOYSA-N
rxn:4:202161:224656,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OC)c(OC2CCCC2)c1F,IAWPYSPRROOWMU-UHFFFAOYSA-N
rxn:4:202161:224733,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OC(F)F)c(OC2CCC2)c1,DDKMQIYJBUBNIE-UHFFFAOYSA-N
rxn:4:202161:225183,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OC2CCCCC2)nc1F,NCNRSJSOGXNQSE-UHFFFAOYSA-N
rxn:4:202161:225191,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cnc(OC2CCCCC2)cc1F,GRKDSALTVDBSBT-UHFFFAOYSA-N
rxn:4:202184:224089,CC1CCN(CCOc2ccc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c(C(F)(F)F)c3)cc2)CC1,MWZLTZVIPVZULR-UHFFFAOYSA-N
rxn:4:202225:226545,CCCOc1c(Cl)ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c1F,MSIFSJCDXMYPQL-UHFFFAOYSA-N
rxn:4:202227:223761,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,IPRSPPKZJBAKQO-UHFFFAOYSA-N
rxn:4:202227:225939,Cc1cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,LKMOYGLTMQDFBP-UHFFFAOYSA-N
rxn:4:202230:223581,COC(=O)c1cccc2cc(-c3cc(C)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,YPFDUKQPXTYOCL-UHFFFAOYSA-N
rxn:4:202230:224290,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,BHMMJBMEZHNDNO-UHFFFAOYSA-N
rxn:4:202295:222524,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,FNYMAMPQUSHBFW-UHFFFAOYSA-N
rxn:4:202297:224320,COc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,DEHYFYYZTHXIQS-UHFFFAOYSA-N
rxn:4:202303:224379,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccccc1S(=O)(=O)N1CCN(C)CC1,WTHNFTLYHIJFPG-UHFFFAOYSA-N
rxn:4:202309:225296,CN(Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1N1CCOCC1)C1CCOCC1,AMHNWOTWVHAJLC-UHFFFAOYSA-N
rxn:4:202316:223542,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2c2ccccc2)cc1,PZLIASYVRATTGL-UHFFFAOYSA-N
rxn:4:202320:225432,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(COC4CCCC4)c3)c2)CC1,ZBLQQQZKOHEHKS-UHFFFAOYSA-N
rxn:4:202400:223520,COCCCn1ccc2c(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccnc21,MKRAXOKMGWGJAD-UHFFFAOYSA-N
rxn:4:202518:226002,CC(=O)Oc1cc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)ccc1[N+](=O)[O-],IFFTWVLGCKKSRO-SFHVURJKSA-N
rxn:4:202564:224268,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cc3C2=O)C1,ZNTRIUOYENAVNH-UHFFFAOYSA-N
rxn:4:202712:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,AJIUTPXSUKYZTJ-INIZCTEOSA-N
rxn:4:202714:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)c(Cl)cn1,AHCWSIKQTPDPSW-UHFFFAOYSA-N
rxn:4:202720:222729,CCCc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccc(C)cc34)cc2)cc(C2CCCNC2)n1,SENPAZMYEOJISR-UHFFFAOYSA-N
rxn:4:202754:227923,CCOc1ccc(C)cc1-c1ccc2c(c1)CCCN2C1CCN(C(=O)OC(C)(C)C)CC1,UGXHNNXZKUGRAD-UHFFFAOYSA-N
rxn:4:202754:228214,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4cnc(C5CC5)cc4F)ccc32)CC1,SFKJIUPYSBYANS-UHFFFAOYSA-N
rxn:4:202883:223540,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)nn1C(F)F,MIFZZNPPPIVLRZ-UHFFFAOYSA-N
rxn:4:202999:223539,CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n(C)n1,LRKFAQUBZBBPNG-UHFFFAOYSA-N
rxn:4:203311:223695,O=C(c1ccc([N+](=O)[O-])cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1)N1CCC1,YEHWJKBEKGWIFR-UHFFFAOYSA-N
rxn:4:203545:225155,O=C(c1ccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)cc1)N1CCOCC1,AQQUSVZJNLCLLD-UHFFFAOYSA-N
rxn:4:203545:225585,O=C(c1ccc(-c2ccccc2CN2CCOCC2)o1)N1CC(N2C(=O)CSC2=O)C1,DNEJWXMQZYECMY-UHFFFAOYSA-N
rxn:4:203545:225868,O=C(c1ccc(-c2ccc(N3CCOCC3)c(F)c2)o1)N1CC(N2C(=O)CSC2=O)C1,DNWBTVUKXWIHQJ-UHFFFAOYSA-N
rxn:4:203651:224820,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,BKNDZGRVBSBCKM-UHFFFAOYSA-N
rxn:4:203684:224658,COc1c(-c2ccc(N3CCN(C(C)=O)CC3)cc2)cncc1S(=O)(=O)N1CCOCC1,UGKTVVGFVHBCSO-UHFFFAOYSA-N
rxn:4:203696:224684,O=C1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)CC1,TXCHRAJBWKXEMD-UHFFFAOYSA-N
rxn:4:203709:226760,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)cc(F)c1F,JTXXXZPDWXUUKR-UHFFFAOYSA-N
rxn:4:203712:225882,O=S(=O)(c1ccc(-c2cnc(Cl)c(C3CCOCC3)c2)cc1)N1C=CC(C(F)(F)F)=NCC1,LOFOSDZNMCXWRM-UHFFFAOYSA-N
rxn:4:203782:223480,COc1cc(N2CCCC(F)(F)C2)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],YMURXKQACOIOOJ-UHFFFAOYSA-N
rxn:4:203825:225297,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,ZEPVTGRVEABMPE-UHFFFAOYSA-N
rxn:4:203833:227567,COc1cc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc(Cl)c1OC,PNSHABOZVITAJI-UHFFFAOYSA-N
rxn:4:203840:225873,CN1C(=O)C(CC(=O)c2ccc(-c3cccc(N4CCOCC4=O)c3)cc2)C(=O)N(C)C1=O,VCRBQTSODQSHMA-UHFFFAOYSA-N
rxn:4:203897:224770,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)c2)CC1,GAZMYCWVARCQRW-UHFFFAOYSA-N
rxn:4:203915:227804,O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])C1,KBDDUHNCMYMIOS-UHFFFAOYSA-N
rxn:4:203972:223520,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C)c2)CC1,FAOYJJIFDYKBGY-UHFFFAOYSA-N
rxn:4:203977:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)CSC4=O)CC3)cc2)CC1,WCKBYHXAQLEDDC-UHFFFAOYSA-N
rxn:4:203977:226853,COc1ccc(Cl)c(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1[N+](=O)[O-],AXOGEVDFEPBHKV-UHFFFAOYSA-N
rxn:4:203977:227531,COC(=O)c1cc(F)cc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,HUFLUQGZGFBMPT-UHFFFAOYSA-N
rxn:4:203985:226854,COc1ccc(F)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1[N+](=O)[O-],YSFVOPZFVSWJFX-UHFFFAOYSA-N
rxn:4:203986:228151,COC(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)c1,OQQLXLMJKGAJCY-UHFFFAOYSA-N
rxn:4:203987:227936,O=C(c1cc(-c2cccc(SC3CC3)c2)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,SENJKCBLLLHFPA-UHFFFAOYSA-N
rxn:4:204000:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)c(F)c2)CC1,RTEZLYMWPKBFBI-ALOJWSFFSA-N
rxn:4:204009:223847,CCCCCC1CCC(c2ccc(-c3cc(F)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,IEXOOAJUTVGQLM-UHFFFAOYSA-N
rxn:4:204010:224397,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)n2)CC1,JYVLCAOTHWURCC-UHFFFAOYSA-N
rxn:4:204046:224904,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1)C1CCCCC1,DDRADRDQAHAEKT-UHFFFAOYSA-N
rxn:4:204066:224061,CCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,CTERUXIOTVTAFV-UHFFFAOYSA-N
rxn:4:204066:225201,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(OC3CCCC3)c(F)c2F)c1,ILMDWLBTQGFGHE-UHFFFAOYSA-N
rxn:4:204082:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)c2)C1,KQHMMWHFOFCYAL-UHFFFAOYSA-N
rxn:4:204090:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CC4CCCN(C(C)C)CC4)n3)cc2)CC1,WWRHYTAQNYTLLM-JFJJZVRQSA-N
rxn:4:204102:222803,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2C)CC1,CWJFSVASRFHEBV-UHFFFAOYSA-N
rxn:4:204109:225145,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1N1CCOCC1,NLKIINJGEOIOHN-UHFFFAOYSA-N
rxn:4:204109:225569,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1C1CC1,IIBBVSIFTHWPSY-UHFFFAOYSA-N
rxn:4:204109:226652,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)n(C2CCCCO2)n1,QXQCYUDIJIPDKU-UHFFFAOYSA-N
rxn:4:204109:227012,CC(C)CSc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,VHRUZQOXLDAVBH-UHFFFAOYSA-N
rxn:4:204114:225189,O=C(c1ccc(-c2cccc(CN3C(=O)CCC3=O)c2)o1)N1CCCN(C2CCSCC2)CC1,AEUCPFSCEOPDFT-UHFFFAOYSA-N
rxn:4:204140:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,SQORRKGUPYONQF-ALOJWSFFSA-N
rxn:4:204140:224865,CN1CCN(Cc2cc(-c3ccc(CCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,JCPBUSQASCFALA-UHFFFAOYSA-N
rxn:4:204148:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCC(C)C4)c(N4CCCC4)c3)cc2)CC1,DASNLUFPKXCBCS-QGPAUPLXSA-N
rxn:4:204151:226990,CN(C)CCc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)cc1,NTVLCCKTAKINPO-UHFFFAOYSA-N
rxn:4:204167:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,XNKDNKQINAUTHJ-UHFFFAOYSA-N
rxn:4:204179:223844,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cc3C)CC2)cc1C,UVRLTGRPQWBYIH-UHFFFAOYSA-N
rxn:4:204335:223606,COC(=O)c1cnn2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc(OC)c12,WBMHWBFZTDOEOK-UHFFFAOYSA-N
rxn:4:204353:223928,CCOC(=O)c1nn2c(c1-c1cnc3c(c1)CN(C(=O)OC(C)(C)C)CC3)COCC2,QAHQRGBABKCCCQ-UHFFFAOYSA-N
rxn:4:204513:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)cc21,JDQUVXZOYLWDCS-UHFFFAOYSA-N
rxn:4:204706:226901,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1F)C1CC1,FAJGTMUPKFKJHL-UHFFFAOYSA-N
rxn:4:204800:223534,CC(C)N1CCN(Cc2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)c3ccccc23)CC1,NMRYKQUPDADJSC-UHFFFAOYSA-N
rxn:4:205824:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)cc(C(F)(F)F)c2)CC1,SMLCFQKDQCSTEE-UHFFFAOYSA-N
rxn:4:206670:223699,COc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)n1C1CCCCC1,NGKNPHKJUSGJRJ-UHFFFAOYSA-N
rxn:4:206793:223993,Cc1cc(-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1S(=O)(=O)N1CCN(C)CC1,IMORRMHUBFBGSH-UHFFFAOYSA-N
rxn:4:206829:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)C4CCN(C)CC4)n3)cc2)CC1,HKTDYIIHHOLJQC-UHFFFAOYSA-N
rxn:4:206841:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,DRSVYRXCVBWNRL-RQNOJGIXSA-N
rxn:4:207039:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(C)CC4)c3)cc2)CC1,QRKBCKPVZCLMNN-FJUZFHEGSA-N
rxn:4:207062:223670,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,OZZBMWADZMPINE-UHFFFAOYSA-N
rxn:4:207406:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2c3c(nn2CC(F)(F)F)CCCC3)CC1,GZGLNICWIKXKAR-UHFFFAOYSA-N
rxn:4:207689:224329,Cn1c(=NC(=O)C2=COCCO2)sc2cc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)ccc21,DEUXFQDDWMGRPK-UHFFFAOYSA-N
rxn:4:207856:225432,CC(C)N1CCN(C2CCCc3cc(-c4cccc(COC5CCCC5)c4)ccc32)CC1,WZPCYRGXOQMENF-UHFFFAOYSA-N
rxn:4:207946:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,HRGLDCKUGPBIQS-UHFFFAOYSA-N
rxn:4:207946:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(OC)c2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,RQVLHRSLZFOGEY-UHFFFAOYSA-N
rxn:4:207946:225677,COc1cc(-c2ccc(C3CCCCC3)nc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FRALHLNDGWMJBE-UHFFFAOYSA-N
rxn:4:207946:225710,CCOC(OCC)c1ncccc1-c1cc(OC)c2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,SOJSZPSYHJRPIK-UHFFFAOYSA-N
rxn:4:207946:227657,COc1cc(-c2ccc(N3CCOCC3)s2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,PPBHPQFKNBZIMX-UHFFFAOYSA-N
rxn:4:207965:222950,CONS(=O)(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)ccc1OC,TWBHXDOCKDUALW-UHFFFAOYSA-N
rxn:4:209812:223929,Cc1c(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cnn1C1CCS(=O)(=O)CC1,KSDXMYPHDUAJEF-UHFFFAOYSA-N
rxn:4:210399:223501,COc1nc2c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(F)cnc2cc1F,FNZMPFDRDSNUBK-UHFFFAOYSA-N
rxn:4:211042:225158,CN1C(=O)CCC(N2Cc3c(cccc3-c3ccc(C(=O)N4CCSCC4)cc3)C2=O)C1=O,LAOHQANELMMBCA-UHFFFAOYSA-N
rxn:4:211099:222950,CONS(=O)(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCCC2)O3)ccc1OC,JGFJLYLJAJVGNK-UHFFFAOYSA-N
rxn:4:211099:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCCC1)O2,OOWIKRRANVPOFY-UHFFFAOYSA-N
rxn:4:211100:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2,HJSRNSUJYZLGDI-UHFFFAOYSA-N
rxn:4:212410:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc2n1CCCCCC2,LZWRVCDCJGSSSH-UHFFFAOYSA-N
rxn:4:212515:225349,CCCOc1c(F)c(F)c(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)c(F)c1F,MAGJILYMBSEAIW-UHFFFAOYSA-N
rxn:4:212521:226619,Cc1nc(N2CCCC2)ncc1-c1cnc(OC2CCN(S(=O)(=O)CCC(F)(F)F)C2)nc1,NGQFZVYSKHOVMW-UHFFFAOYSA-N
rxn:4:212651:223490,Cc1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UPSPDMGVCKPCLE-UHFFFAOYSA-N
rxn:4:212653:223595,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,WJRHQHDANXDGIS-UHFFFAOYSA-N
rxn:4:212653:225901,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cn(C(=O)OC(C)(C)C)nc2C)n1,PYGJXKLWUUIZOW-UHFFFAOYSA-N
rxn:4:212655:226502,COC(=O)c1cc(-c2ccn(C(=O)OC(C)(C)C)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UMBDIJCZIVIPMV-UHFFFAOYSA-N
rxn:4:212658:223040,COC(=O)c1ncc(-c2ccc(C(=O)NC3CC3)c(F)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,KFXBKJUGAWITFZ-UHFFFAOYSA-N
rxn:4:212692:224292,Cc1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)ccc1S(=O)(=O)OCC(C)(C)C,DMJKJCGFLSNLGS-UHFFFAOYSA-N
rxn:4:212696:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)C1,ZSHAPFDIMKONPV-UHFFFAOYSA-N
rxn:4:212728:222854,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5OC)cc4)CC3)n2)c1,VNGSOMGNMPCLRM-UHFFFAOYSA-N
rxn:4:212738:228218,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CC4)ncc3F)cc2N2CCOCC2)CC1,VCOQQSUDQLEJOA-UHFFFAOYSA-N
rxn:4:212743:226413,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(N5CCOCC5)c4)cc3)CC2)CC1,WURCXTVQPUESOR-UHFFFAOYSA-N
rxn:4:212743:226715,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc3)CC2)CC1,FDYMFZLZYQZHCT-UHFFFAOYSA-N
rxn:4:212770:225829,CCOC(=O)c1nn2c(c1-c1cnc(N3CCC(C)CC3)nc1)CN(C(=O)OC(C)(C)C)CC2,KDHHMKOLDNESJE-UHFFFAOYSA-N
rxn:4:212816:222699,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cc2)CC1,ISDUXYLGNIOCSN-UHFFFAOYSA-N
rxn:4:212942:223590,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cn2)C1,ZBRGNDMYXHWIOV-UHFFFAOYSA-N
rxn:4:212944:224371,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(N3CCC(C(=O)OC)CC3)nc2)CC1,ITSCLHZOVIBSTL-UHFFFAOYSA-N
rxn:4:213070:222948,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)CC1,DTNNIKMOIIZOFO-UHFFFAOYSA-N
rxn:4:213099:228717,Cc1nn(C2CC2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)(F)F,SHCXKMVIKPOBIX-UHFFFAOYSA-N
rxn:4:213129:227626,COc1nc(-c2cnc(C3CCOC3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,KARAUPCFTKTXHR-UHFFFAOYSA-N
rxn:4:213147:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,HVOINJDDQBWOJB-UHFFFAOYSA-N
rxn:4:213162:224254,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)cn3)CC2)cc1F,PRJRIHRHUBKNNX-UHFFFAOYSA-N
rxn:4:213170:224394,Cc1ccc(-c2cccc(S(=O)(=O)N3CCN(CCc4ccccn4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,DUPNLRRUVMWWIQ-UHFFFAOYSA-N
rxn:4:213213:222769,CN(c1cccc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,WXFDPGGQLPNXLV-UHFFFAOYSA-N
rxn:4:213236:223058,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(F)nc(C5CCCNC5)c4)cn3)C2)cc1C,SOQYACCOKXNVNU-UHFFFAOYSA-N
rxn:4:213259:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc2)CC1,KATODOFMXSFJKI-UHFFFAOYSA-N
rxn:4:213266:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,PTSRSCJJQYSMJG-DIVCQZSQSA-N
rxn:4:213388:224720,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)ccnc32)CC1,PCTRUXUDFGIZSU-UHFFFAOYSA-N
rxn:4:213482:223598,COC(=O)c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)nn1CC#N,UEGWTELLXBUMQG-UHFFFAOYSA-N
rxn:4:213497:223590,COCn1nc(C(=O)OC)nc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,KHNBQKFSMXQIOG-UHFFFAOYSA-N
rxn:4:213805:223065,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(N4CCNCC4)cc3F)cn2)C1,NNRBGEPDPYHIRN-UHFFFAOYSA-N
rxn:4:213828:222957,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc(C2CCCNC2)c1,VBGSAMSYRSLQOW-UHFFFAOYSA-N
rxn:4:213833:223480,Cc1cc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KCGRIOJDSLQUEY-UHFFFAOYSA-N
rxn:4:213876:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,ASWBJCOOASHPKF-UHFFFAOYSA-N
rxn:4:213880:225830,Cc1nc(N2CCCCC2)ncc1-c1ccncc1N1CCN(C(=O)OC(C)(C)C)CC1,VEZGFHRBRRFBQV-UHFFFAOYSA-N
rxn:4:213884:223776,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)n2)CC1,ROVKJDNVIDRRQD-UHFFFAOYSA-N
rxn:4:213897:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,HHOPIUVNNVLXEE-UHFFFAOYSA-N
rxn:4:213941:222948,Cc1c(-c2cnc(N3CCC(O)CC3)nc2Cl)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,IDWMCSWGAXDARM-UHFFFAOYSA-N
rxn:4:213941:223084,Cc1c(-c2cnc(N3CCC(O)CC3)nc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,KGVPBNUVNKYRMO-UHFFFAOYSA-N
rxn:4:213974:223776,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)n2)CC1,WBKHDCQATYONKF-UHFFFAOYSA-N
rxn:4:213980:225294,CCN1CCN(c2ncc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cn2)CC1,RMJMMQNWIQZZPN-UHFFFAOYSA-N
rxn:4:213986:224356,Cc1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,SXAJRMFAJOIKGE-UHFFFAOYSA-N
rxn:4:213987:223885,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,JWOYIOBKFMVDSR-UHFFFAOYSA-N
rxn:4:213999:223884,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cn1,MQVLSKWOGZFMBI-UHFFFAOYSA-N
rxn:4:214010:225450,Cc1nn(C(=O)c2ccccc2-c2ccc(C(=O)C3CCCC3)cc2)c(C)c1S(=O)(=O)N1CCOCC1,XMGLCCLXIMMRNP-UHFFFAOYSA-N
rxn:4:214075:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)cc3)cc2)CC1,GHSMQQHJJXTEMJ-UNWRIRMBSA-N
rxn:4:214146:225830,Cc1nc(N2CCCCC2)ncc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,PXIFIQPBGDQMMC-UHFFFAOYSA-N
rxn:4:214185:224893,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)c2C1,BVSXALLZUDNQCU-UHFFFAOYSA-N
rxn:4:214185:228310,CCCc1nc(Cl)ncc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,LZLXULATHXMIAW-UHFFFAOYSA-N
rxn:4:214201:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2)C1,VKZBBMUPNOJKDF-UHFFFAOYSA-N
rxn:4:214201:223975,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cn1)C2,WKTYVJHJENABGK-UHFFFAOYSA-N
rxn:4:214234:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1,MODHVYLEZAZXTB-UHFFFAOYSA-N
rxn:4:214255:224162,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c2c(Cl)ncnc21,AQWOOJKAONABIE-UHFFFAOYSA-N
rxn:4:214276:223573,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc3[nH]2)CC1,DLMJXTNHKGBXAW-UHFFFAOYSA-N
rxn:4:214277:222432,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cc32)CC1,NRKNXTGAEKXBRA-UHFFFAOYSA-N
rxn:4:214320:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1,CVGXWEUUEJBEHO-UHFFFAOYSA-N
rxn:4:214320:223637,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cc32)CC1,LPJOKTGRZMUGEA-UHFFFAOYSA-N
rxn:4:214353:224022,CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3cnc(Cl)nc32)CC1,JCDXQLPDGPZNKH-XCPXEZGHSA-N
rxn:4:214395:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(SCC(=O)c5ccc(F)cc5)n5c6ccccc6nc5c4c3)cc(F)c2F)CC1,GCQCEJVZYIZLEP-UHFFFAOYSA-N
rxn:4:214714:224761,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,WFVHRYSPBLUNFZ-UHFFFAOYSA-N
rxn:4:214735:226836,CC(C)n1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(C(F)(F)F)n1,MTOFFUPWWCLQEV-UHFFFAOYSA-N
rxn:4:214765:225088,COc1cc(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])ccc1OCCN(C)C,CMNNXKVFSNQDAA-UHFFFAOYSA-N
rxn:4:214766:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,XQDXMYXDVQUXQR-UHFFFAOYSA-N
rxn:4:214766:225090,CCOCc1cc(OC)c(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)c(OC)c1,QOTWFFLYTZZBGG-UHFFFAOYSA-N
rxn:4:214857:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(c5ccn(C)n5)CC4)cc3)c2)CC1,OEFYUXMRUCDLBC-UHFFFAOYSA-N
rxn:4:214871:224795,CCN(CC)S(=O)(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)ccc1F,UGIJFBZMSZNBJU-UHFFFAOYSA-N
rxn:4:214872:223867,CC1CCN(CCCOc2cccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c2)CC1,GIZIUUAJVWJZAH-UHFFFAOYSA-N
rxn:4:214884:229049,O=C(C1CCN(c2ncc(Cl)cc2-c2cnc3n2CCC3)CC1)N1CCC(F)(F)CC1,CEOBUECGSAAVRX-UHFFFAOYSA-N
rxn:4:214889:225801,CN1CCN(Cc2ccc(-c3ccnc(OC4CCCC4)c3Cl)cc2N2CCCC2)CC1,NFEXLYOWANRBGB-UHFFFAOYSA-N
rxn:4:214889:225923,CN1CCN(Cc2ccc(-c3cnc(OC4CCCC4)nc3Cl)cc2N2CCCC2)CC1,RLKGOZLQFYUKSG-UHFFFAOYSA-N
rxn:4:214894:225801,CN1CCN(Cc2ccc(-c3ccnc(OC4CCCC4)c3Cl)cc2N2CCOCC2)CC1,HUZDKGUSJMMNTB-UHFFFAOYSA-N
rxn:4:214894:225806,CN1CCN(Cc2ccc(-c3cnc(OC4CCCC4)cc3F)cc2N2CCOCC2)CC1,GSLOLDFQMDOXFX-UHFFFAOYSA-N
rxn:4:214894:226587,CN1CCN(Cc2ccc(-c3cnc(OC4CCC4)cc3F)cc2N2CCOCC2)CC1,AMANUQVULLGQSK-UHFFFAOYSA-N
rxn:4:214896:229158,Cc1cc(-c2ncnn2C(C)C)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,GVZPQZWBIRWQQZ-UHFFFAOYSA-N
rxn:4:215056:223097,CNC(=O)c1cc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc([N+](=O)[O-])c1,HZAMZWMPPWYJIF-UHFFFAOYSA-N
rxn:4:215058:224771,Cc1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCCC1,FODKQMWWTYZGOI-UHFFFAOYSA-N
rxn:4:215062:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)C2,LGZPISPSISROHB-UHFFFAOYSA-N
rxn:4:215096:224022,CC1c2cnc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2CCN1C(=O)OC(C)(C)C,MDDOIUNINUBFGF-UHFFFAOYSA-N
rxn:4:215098:224688,Cn1nc(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)c2c1CCN(C(=O)OC(C)(C)C)C2,HSRJUWHUSARCIH-UHFFFAOYSA-N
rxn:4:215098:225182,Cn1nc(-c2ccnc(OC3CCCCC3)c2Cl)c2c1CCN(C(=O)OC(C)(C)C)C2,ZNHPYXMCABRFSN-UHFFFAOYSA-N
rxn:4:215100:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)c(F)cn2)CC1,FYQARMNFJMCAST-UHFFFAOYSA-N
rxn:4:215100:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,QTOLYLBZCSKWIV-UHFFFAOYSA-N
rxn:4:215101:223931,CC(C)(C)OC(=O)N1CCc2cnc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2CC1,GOVZONKGVGERPK-UHFFFAOYSA-N
rxn:4:215102:224868,CC(C)(C)OC(=O)N1CCc2nc(-c3cccc(OCC4CCCCC4)c3)cn2CC1,HJWUMNVTJGMVSP-UHFFFAOYSA-N
rxn:4:215109:225898,Cn1nc2c(c1-c1cnn(CCN3CCOCC3)c1)CN(C(=O)OC(C)(C)C)CC2,HRRDCKHLCXZLKE-UHFFFAOYSA-N
rxn:4:215110:225889,Cc1nc(-c2ccnn2COCC[Si](C)(C)C)c2n1CCN(C(=O)OC(C)(C)C)C2,UHCCJRHODGKYSI-UHFFFAOYSA-N
rxn:4:215214:226612,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cnc(N5CCCCC5)nc4)n3C2)C1,VIDHISDAWDWGCA-UHFFFAOYSA-N
rxn:4:215785:222524,COc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)nnn1C1CCCCC1,TZERWGTXSFXQHR-UHFFFAOYSA-N
rxn:4:215912:224820,CS(=O)(=O)N1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2Cl)CC1,DXKVSRNLNFQWFT-UHFFFAOYSA-N
rxn:4:215965:224834,CC1CCN(c2cc(-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)nc(C3CC3)n2)CC1,OPEBEKWHQQILLR-UHFFFAOYSA-N
rxn:4:215970:223606,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(N2CCC3(CC2)OCCO3)n1,LBBURGCBSQKURR-UHFFFAOYSA-N
rxn:4:215978:223696,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)nc(C(C)C)n2)CC1,WYVMWGUNSQGRSI-UHFFFAOYSA-N
rxn:4:216252:225370,COC(=O)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc(C(F)(F)F)n1,HHUOCMCKRMGSGI-UHFFFAOYSA-N
rxn:4:216252:225570,COC(=O)c1ccc(C2CC2)c(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c1,PPAKUMDYWQTNQT-UHFFFAOYSA-N
rxn:4:216356:225710,CCOC(OCC)c1ncccc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCN(C)CC1)O2,AWTXDMBGCJRPQU-UHFFFAOYSA-N
rxn:4:216437:223482,Cc1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cnc1C#N,FGQGSSMUIPJSQO-UHFFFAOYSA-N
rxn:4:216471:223482,CCc1ncnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,AJPDNMYKLJOUPJ-UHFFFAOYSA-N
rxn:4:216556:223482,CC(C)c1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n[nH]1,ITRUECDBEUMDOG-UHFFFAOYSA-N
rxn:4:216597:223482,CC1(c2nnc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)[nH]2)CC1,JMTCPRQKRQKALU-UHFFFAOYSA-N
rxn:4:217103:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(=O)CC2)nc1,KCTPLCRJWIPWPG-UHFFFAOYSA-N
rxn:4:217155:223659,Cn1c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCCCC1,PWJRCZHCPDBNGP-UHFFFAOYSA-N
rxn:4:217181:223696,Cc1cc(N2CCCCC2)nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,PHHRMBYNZRKTHF-UHFFFAOYSA-N
rxn:4:217205:223506,Cc1nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(N2CCCC(C)C2)n1,XFALYZIMDCCIPW-UHFFFAOYSA-N
rxn:4:217634:223608,NS(=O)(=O)c1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)nc2n1CCOC2,KTURCONOBWUYKI-UHFFFAOYSA-N
rxn:4:217859:223541,Cc1cc(C(C)C)n2nc(C)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c2n1,QYBOHLYRFCELJU-UHFFFAOYSA-N
rxn:4:217898:222524,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1)CCCC3,QUDIRALFCBXQFT-UHFFFAOYSA-N
rxn:4:217905:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,XZGFNAYLXRIZSO-UHFFFAOYSA-N
rxn:4:217932:223482,Cn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc1F,PFYOEECHYRSMAH-UHFFFAOYSA-N
rxn:4:218518:223507,CN1CCn2ncc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2C1,WUSHVCFOWYXCGR-UHFFFAOYSA-N
rxn:4:218578:222720,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cn2)CC1,JMNAKWIGEGRBIM-UHFFFAOYSA-N
rxn:4:218652:223652,COc1ccc(Cl)c2cc(-c3cnc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,FZCPEGSTRAZGNM-UHFFFAOYSA-N
rxn:4:218695:225876,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Cl)ccc4N4CCOCC4)c3C)CC2)cc1,FPHMHEXTHLJFFS-UHFFFAOYSA-N
rxn:4:218775:229320,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cc(F)cs4)ccc32)CC1)N1CCCCCC1,CBKNCRAWSBHRIR-UHFFFAOYSA-N
rxn:4:218815:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cnn(CC2CN(C(=O)CN3C(=O)CCC3=O)C2)c1,KRILCOUSRVTKMS-UHFFFAOYSA-N
rxn:4:218945:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc([N+](=O)[O-])c3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,VHPQZGDHEZPADA-UHFFFAOYSA-N
rxn:4:218970:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)cc2)CC1,XNXIEIWXISYBPH-UHFFFAOYSA-N
rxn:4:218992:224684,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cn3)C2)CC1,ZLSZJTRXALTKNU-UHFFFAOYSA-N
rxn:4:219028:223818,CC1CN(C(=O)c2cnn(C)c2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C,UVWHDRDRLNKYPE-UHFFFAOYSA-N
rxn:4:219046:229083,CC(C)c1ncc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)o1,SHQVCONEFJJQHI-UHFFFAOYSA-N
rxn:4:219051:223534,CN(c1cnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,JDQLJRSNCNYQPY-UHFFFAOYSA-N
rxn:4:219051:223774,COc1cccc2c1cc(-c1cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn1)n2C(=O)OC(C)(C)C,HORFTDRAHDJDQQ-UHFFFAOYSA-N
rxn:4:219053:223687,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)c3)cn2)CC1,GBSCSQTXXFDHRT-UHFFFAOYSA-N
rxn:4:219128:222717,Cc1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,HULQWEZCBUPHGT-UHFFFAOYSA-N
rxn:4:219135:222608,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(S(=O)(=O)Nc6cccc(Cl)c6)cc5)c4)C3C2=O)cc1,WKIUPZOEOJJPRO-UHFFFAOYSA-N
rxn:4:219135:222925,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C6CNC6)c(C(F)(F)F)c5)c4)C3C2=O)cc1,UNZBCHGYXVDQKB-UHFFFAOYSA-N
rxn:4:219135:224865,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CCN6CCCCC6)cc5)c4)C3C2=O)cc1,MQVHBKRPGXKVSU-UHFFFAOYSA-N
rxn:4:219135:226299,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OCC6CC6)cc5Cl)c4)C3C2=O)cc1,GZKWMPDXQAPTAL-UHFFFAOYSA-N
rxn:4:219135:226472,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccnc(OCCN(C)C)c5)c4)C3C2=O)cc1,HQTCOZBBZQDAFJ-UHFFFAOYSA-N
rxn:4:219135:227498,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cnc(N(C)C)cc5OC)c4)C3C2=O)cc1,QZMSVZFPBSIATI-UHFFFAOYSA-N
rxn:4:219136:222409,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccc(OC)c(S(N)(=O)=O)c4)C3C2=O)cc1,AIRLESIXNSKHSB-UHFFFAOYSA-N
rxn:4:219207:227405,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(-c5cccs5)nc4)cc3)cs2)CC1,KGMNFOSNWBEABP-UHFFFAOYSA-N
rxn:4:219334:224268,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)s2)CC1,SODBPZXQIBBURU-UHFFFAOYSA-N
rxn:4:219334:225939,CC(C)c1cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cnc1C(F)(F)F,HPOXVYGJGBNKNS-UHFFFAOYSA-N
rxn:4:219363:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnccc1OC1CCN(S(=O)(=O)c2cnn(C)c2)C1,UYALULJQGGVLQB-UHFFFAOYSA-N
rxn:4:219370:222987,Cc1nc(C2CCNCC2)ccc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)n1,QKYHNTRMOAQQTJ-UHFFFAOYSA-N
rxn:4:219370:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,GMPJAVIHWSSKNN-UHFFFAOYSA-N
rxn:4:219370:225361,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cn(C4CCCC4)nc3C(F)(F)F)n2)C1,YQKDAHLUJWIJKJ-UHFFFAOYSA-N
rxn:4:219370:225453,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cccc(SC4CCCCC4)c3)n2)C1,RUTVCJPXEWPCCO-UHFFFAOYSA-N
rxn:4:219371:224746,CC(=O)N1CCN(c2ccc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,IYTLUSMSSBMJSC-UHFFFAOYSA-N
rxn:4:219371:225217,CC1CCCN(c2cc(F)c(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1,SIRPFBZCELNBNQ-UHFFFAOYSA-N
rxn:4:219374:224326,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)ccc1S(=O)(=O)N1CCCCC1,ZNPFOQMFNXEHFW-UHFFFAOYSA-N
rxn:4:219439:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(CN4CCN(c5nccc(C(F)(F)F)n5)CC4)c3)cc2)CC1,UZCDZDHQAXYLST-UHFFFAOYSA-N
rxn:4:219453:226374,CC(C)N1CCC(N2CC(Cn3cc(-c4cncnc4C4CCCCC4)cn3)C2)C1=O,XHSWIVZPMKXWFO-UHFFFAOYSA-N
rxn:4:219453:226794,CC(C)N1CCC(N2CC(Cn3cc(-c4cnc(N5CCSCC5)nc4)cn3)C2)C1=O,BAFIHXGGANRUBB-UHFFFAOYSA-N
rxn:4:219456:224964,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(COC3CCOCC3)cc2)n1,KEVPVWOCVNZZFC-UHFFFAOYSA-N
rxn:4:219473:223107,COc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1NS(C)(=O)=O,NATZCGVLFTZDTF-UHFFFAOYSA-N
rxn:4:219489:226612,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCCC2)nc1,BGCMQGPSNGEZEQ-UHFFFAOYSA-N
rxn:4:219494:224015,Cc1cc(N2CCC(Oc3ccncc3-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)C2)nc(C2CC2)n1,GJNWONHTNLTQSZ-UHFFFAOYSA-N
rxn:4:219515:226619,Cc1nc(N2CCCC2)ncc1-c1nnc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1,XZRJGJVCTVUCHI-UHFFFAOYSA-N
rxn:4:219515:227739,Cc1cc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cnc1C(F)(F)F,NWDNGYAVFIPZQA-UHFFFAOYSA-N
rxn:4:219515:228459,COc1ncc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)c(SC)n1,BUGYBWCMFRJGFI-UHFFFAOYSA-N
rxn:4:219560:223696,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)CC2)cn1C,ITQJCFLQEVCUQR-UHFFFAOYSA-N
rxn:4:219650:222499,COc1ccc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)cc1-c1cc(S(=O)(=O)NCc2ccccc2)ccc1C,BNUIRUQGWPKXTE-UHFFFAOYSA-N
rxn:4:219650:225711,COc1ccc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)cc1-c1ccc(OCC(OC)OC)cc1,GPLLMMWUWRCNMM-UHFFFAOYSA-N
rxn:4:219688:225296,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3n2)CC1,LWZBDYJSJKUUGI-UHFFFAOYSA-N
rxn:4:219688:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2c1,MWVWKLWNRPYMFB-UHFFFAOYSA-N
rxn:4:219691:224271,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cc5cccnc5n4C(=O)OC(C)(C)C)c3n2)C1,UGXOSUDNMCAHDC-UHFFFAOYSA-N
rxn:4:219691:224356,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)c3n2)C1,GLXCJUXCWLAGKV-UHFFFAOYSA-N
rxn:4:219704:224160,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cc3n2)CC1,JBARAWHEPBJWSO-UHFFFAOYSA-N
rxn:4:219706:224274,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cc5cnccc5n4C(=O)OC(C)(C)C)c(Cl)cc23)CC1,SBLUMTVJIABKLH-UHFFFAOYSA-N
rxn:4:219817:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nc(C(F)(F)c4ncc(C(F)(F)F)cc4Cl)n[nH]3)ccc2F)CC1,HKQLVFNTFNOOTH-UHFFFAOYSA-N
rxn:4:219880:222826,CSc1ncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,ZJEXKGDZNHHEDD-UHFFFAOYSA-N
rxn:4:219950:224792,CSc1ncc(-c2cc(C(F)(F)F)cnc2SCC(C)C)c(N2CCN(C3CCC3)CC2)n1,GBXYDPCIKRCGQW-UHFFFAOYSA-N
rxn:4:219950:224820,CSc1ncc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(N2CCN(C3CCC3)CC2)n1,ROLQXCBIURRDHN-UHFFFAOYSA-N
rxn:4:219996:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1)N1CCC(O)CC1,QEWXYZGDXVEPBY-UHFFFAOYSA-N
rxn:4:220010:223482,CCOC(=O)c1cnc2nc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nn2c1,FVUWFFQUILZWSE-UHFFFAOYSA-N
rxn:4:220038:223599,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)C1,PTAMNKHODHKHFX-UHFFFAOYSA-N
rxn:4:220038:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)C2,RZYFXMZYVXTEAC-UHFFFAOYSA-N
rxn:4:220039:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,DPVHOHJPIPXJOA-UHFFFAOYSA-N
rxn:4:220039:225324,CC(C)CCn1cc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)n1,BUQOCFMGMCPFBU-UHFFFAOYSA-N
rxn:4:220069:224582,CC(C)(C)OC(=O)N1CCc2nnc(-c3cccc(N4CCN(C5CC5)CC4)c3)n2CC1,CRKUTOACRDKGST-UHFFFAOYSA-N
rxn:4:220069:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,RDIMXKRBWZCXDW-UHFFFAOYSA-N
rxn:4:220070:224720,CC(C)(C)OC(=O)N1CCCn2nc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)nc2C1,NPJRPZIYQGATBN-UHFFFAOYSA-N
rxn:4:220070:225035,CC(C)(C)OC(=O)N1CCCn2nc(-c3cc(F)ccc3OC3CCCCC3)nc2C1,GNKSDOCXJGQIBT-UHFFFAOYSA-N
rxn:4:220070:225300,CC(C)(C)OC(=O)N1CCCn2nc(-c3ccc(OC4CCOCC4)nc3F)nc2C1,ZTYNKSZDDCENQQ-UHFFFAOYSA-N
rxn:4:220070:225805,CC(c1ccc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)s1)N1CCOCC1,FCNUJUIYSBAXLQ-UHFFFAOYSA-N
rxn:4:220194:225262,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N(C)OC)cc5OC)c(C)c4)C3C2=O)cc1,FUKWFAXQVDNQQF-UHFFFAOYSA-N
rxn:4:220224:224976,N#Cc1c(-c2ccc(C3Cn4nnc(C(=O)N5CCCCCC5)c4CO3)cc2)cccc1N1CCCCC1,SWODYKWYHXLUEW-UHFFFAOYSA-N
rxn:4:220356:223834,Cc1cc(-c2nc([N+](=O)[O-])nn2C2CCCCC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ATNJETZAAFKDBH-UHFFFAOYSA-N
rxn:4:220537:223810,Cc1cc(-c2ccc3nc(N4CCN(C5CCC5)CC4)ncc3c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JPPRHHVIGIZRJQ-UHFFFAOYSA-N
rxn:4:220537:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc2nc(N3CCN(C4CCC4)CC3)ncc2c1,FXFYBCXINHNMKX-UHFFFAOYSA-N
rxn:4:220808:223683,Cn1nc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)nc1N1CCCCC1,JPEZUMCXZOPVQW-UHFFFAOYSA-N
rxn:4:221110:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)cc2)CC1,ZMPFHUNBFUNSSV-UHFFFAOYSA-N
rxn:4:221121:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,VKDKYWCGEGFGGD-WXUXXXNLSA-N
rxn:4:221182:228304,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(OC(C)C)nc4)cn3)CC2)C1=O,NUXWYMFTUUIRHQ-UHFFFAOYSA-N
rxn:4:221186:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)CC1,INRMBMLCYJBBPY-UHFFFAOYSA-N
rxn:4:221193:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)CC1,DOZPGROSYLAYEG-JFJJZVRQSA-N
rxn:4:221205:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,BBYSNEQZALSJHQ-UHFFFAOYSA-N
rxn:4:221208:225296,Cc1cc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3)CC2)nc(N2CCOCC2)n1,PUTUKXUOSKVXQR-UHFFFAOYSA-N
rxn:4:221209:224818,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)CC2)n1,JUNOHTRYEHHTGD-UHFFFAOYSA-N
rxn:4:221394:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,SWYDBEQFOYPORA-ALOJWSFFSA-N
rxn:4:221394:224817,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCOCC3)cn2)CC1,OMVVXQQJOFKSDI-UHFFFAOYSA-N
rxn:4:221421:223001,O=C(c1cccc(-c2cc(C3CCCNC3)ccc2F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,HUVYONIBISECNI-UHFFFAOYSA-N
rxn:4:221425:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,DBXGUPLEXYBTAT-UHFFFAOYSA-N
rxn:4:221425:224770,Cc1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,NDHJVIDHVBIYJU-UHFFFAOYSA-N
rxn:4:221426:222740,CC(C)c1cc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc(C2CCCNC2)n1,SHDKJMUMBIQZOL-UHFFFAOYSA-N
rxn:4:221447:223493,Cc1cc(N2CCN(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)cc3)CC2)nc(N2CCOCC2)n1,QEFXBEKIZKNXOQ-UHFFFAOYSA-N
rxn:4:221447:225210,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCC(C)CC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,ATZQHQSFKMMHCY-UHFFFAOYSA-N
rxn:4:221498:222711,COc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1S(=O)(=O)NC(C)(C)C,GMJRJALLTDGRMV-UHFFFAOYSA-N
rxn:4:221616:223498,Cc1cc(N2CC(Cn3cc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)nc(C)n1,JHOOYEPFFIIGOA-UHFFFAOYSA-N
rxn:4:221625:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCC(Cn5cnccc5=O)CC4)nc3)cn2)C1,XFILYQUKDNSQHO-UHFFFAOYSA-N
rxn:4:221645:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cn2)CC1,PLKYUTBYADAMNB-UHFFFAOYSA-N
rxn:4:221731:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1,CFGHEXRYNCWHBN-UHFFFAOYSA-N
rxn:4:221827:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1,NVEYKRCCAANKDB-UHFFFAOYSA-N
rxn:4:221965:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,MAMOOAWQDCHCRT-YALZGCRRSA-N
rxn:4:221985:226715,Cn1cc(-c2nc3cnc(-c4cnn(C(=O)OC(C)(C)C)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,OWDGGNRNXCPNIC-HXUWFJFHSA-N
rxn:4:222009:222612,O=S(=O)(c1ccc(F)c(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)c1)N1CCC(O)CC1,SVHJZRCNEQKWQG-UHFFFAOYSA-N
rxn:4:222053:225279,CCc1cc(N2CCN(c3ncc(-c4c(C)nn(C(=O)OC(C)(C)C)c4C)cn3)CC2)nc(C(C)(C)C)n1,ZZZBFIVOFDKHGC-UHFFFAOYSA-N
rxn:4:222056:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2)C1,UQERGRTYEHYGEK-UHFFFAOYSA-N
rxn:4:222162:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)c2)CC1,PWCNLGMAWSMXFW-UHFFFAOYSA-N
rxn:4:222229:224834,CN(C)S(=O)(=O)n1cc(-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)c(C(F)(F)F)n1,VFTPJMADZAKKSS-UHFFFAOYSA-N
rxn:4:222337:222818,COC(=O)c1cc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)c(F)cc1NC(C)=O,SBCHXKLQRSPQNN-UHFFFAOYSA-N
rxn:4:222393:178329,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cccc(S(=O)(=O)CC3CCCCC3)c2)c1,SXQMBPNFCUZCOJ-RQNOJGIXSA-N
rxn:4:223540:217085,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ncc(N2CCOCC2)nc1Cl,KSQHIXOMTZRTFC-UHFFFAOYSA-N
rxn:4:223541:185660,CCOC(=O)Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)no1,BNDUMKGJADHDNW-UHFFFAOYSA-N
rxn:4:223541:208462,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc(C(F)(F)F)n1,JVZPKWXRJDIGMT-UHFFFAOYSA-N
rxn:4:223541:208730,Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(C(F)(F)F)nn1C,KNWCSTADQNNKBO-UHFFFAOYSA-N
rxn:5:177447:225407:225625,COc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cc(OC3CCCC3)ccc2F)c1OC(C)C,YZDPDJCMDKAWJB-UHFFFAOYSA-N
rxn:5:177850:223202:225452,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2C=CCCC2)cc1,RHAWLFWNFUDNNY-UHFFFAOYSA-N
rxn:5:177850:223203:222960,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1cc(C)cc(C2CCNCC2)c1,KWYIDOWAONJCAJ-UHFFFAOYSA-N
rxn:5:177850:223203:225594,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1ccc(F)cc1CN1CCCC1,PSFMPGOSEYNSAG-UHFFFAOYSA-N
rxn:5:177850:225448:223202,CCOc1ccc(-c2cc(C)ccc2OC2CCCC2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,BINXEZFKXDRBIT-UHFFFAOYSA-N
rxn:5:177850:225448:223203,CCOc1ccc(-c2cc(C)ccc2OC2CCCC2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,FXSGDOQRPZRDRC-UHFFFAOYSA-N
rxn:5:177850:225452:223202,CCOc1ccc(-c2ccc(OC3C=CCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,CKTIKWXYENKJCZ-UHFFFAOYSA-N
rxn:5:177851:223202:225809,CCOc1c(-c2ccc(C3(O)CCC3)cc2)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,XWECHYDVIXLZOQ-UHFFFAOYSA-N
rxn:5:177851:223203:225809,CCOc1c(-c2cccc(C3(O)CCC3)c2)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,YUHKBTSZHOMZSY-UHFFFAOYSA-N
rxn:5:177891:226652:228975,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnn(C(F)(F)F)c2)n(C2CCCCO2)n1,QKZICVICALVIST-UHFFFAOYSA-N
rxn:5:177891:226745:228653,CCc1ncc(C(F)(F)F)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnn2c1CCCC2,WGOGOOVVNOFHFX-UHFFFAOYSA-N
rxn:5:177891:226752:226901,COc1c(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)cccc1C(F)(F)F,KKVBDTLEHCKZIV-UHFFFAOYSA-N
rxn:5:177891:226884:227679,O=C(SC1CS(=O)(=O)CC1c1ccc2c(c1)OC(F)(F)O2)c1ccccc1-c1c(F)cc(C(F)(F)F)cc1F,OTBIGKKKJMXGRU-UHFFFAOYSA-N
rxn:5:177891:226901:226765,COC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1F,CTYCKOZRIYVIPV-UHFFFAOYSA-N
rxn:5:177891:226901:227673,CC(F)(F)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1F,ZDLWONNYYDTMRO-UHFFFAOYSA-N
rxn:5:177891:226901:228443,CSc1c(F)ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1F,KVIVVQCDOWDZGU-UHFFFAOYSA-N
rxn:5:177891:227095:226901,O=C1CC(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccc(S(F)(F)(F)(F)F)c3)cc2)C1,PYNWCMVYKCHPNC-UHFFFAOYSA-N
rxn:5:177891:227390:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccnn1C1CCCCC1,BITRVOITARUIQT-UHFFFAOYSA-N
rxn:5:177891:228020:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1c(F)cccc1C1CC1,ZJNLAMRBODIZMR-UHFFFAOYSA-N
rxn:5:178117:226464:223143,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCC(O)C4)c3)c(OCC3CCOCC3)c1)OCCO2,GFSBRCMZBIIWLK-UHFFFAOYSA-N
rxn:5:178118:223010:225601,N#CC1(c2ccc(-c3ccc(-c4ccc(C5(O)CCOCC5)cc4)c(OCC4CCCCO4)c3)c(F)c2)CCC1,HGNAYBMMTCXEHX-UHFFFAOYSA-N
rxn:5:178118:227574:225394,COc1c(F)ccc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2OCC2CCCCO2)c1OC,SRTDSYOMFYVARM-UHFFFAOYSA-N
rxn:5:178122:225394:227574,COc1c(F)ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1OC,OPYOHZFKWWITLK-UHFFFAOYSA-N
rxn:5:178122:225446:227364,COc1ccc(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2COC2CCCCO2)c(OC)c1C,YMSSKLVWIMMBKN-UHFFFAOYSA-N
rxn:5:178122:225446:227592,COc1cc(F)cc(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2COC2CCCCO2)c1OC,RRGAYSQKFMMYOM-UHFFFAOYSA-N
rxn:5:178122:225451:227592,COc1cc(F)cc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2COC2CCCCO2)c1OC,PAWHTJPASCYGJL-UHFFFAOYSA-N
rxn:5:178122:225453:227348,COc1ccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c(C)c1OC,NEYKWLOTEYKMNW-UHFFFAOYSA-N
rxn:5:178122:225453:227361,COc1cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c(OC)cc1C,VEMYSBDOUGEPOC-UHFFFAOYSA-N
rxn:5:178122:225514:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCC3(CC3)CO4)ccc1COC1CCCCO1)OCCO2,JJJAVWLXSCVGMS-UHFFFAOYSA-N
rxn:5:178122:225810:226907,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cccc4c3CCC43CC3)c2)c(C2OCCO2)c1,DAWBVKRFNLOZIM-UHFFFAOYSA-N
rxn:5:178122:225810:226971,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3ccc4c(c3)CCCOC4)c2)c(C2OCCO2)c1,OOQQQUXLYWMTKL-UHFFFAOYSA-N
rxn:5:178122:226464:223143,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc(N4CCC(O)C4)c3)c1)OCCO2,ZVXYEEJPLMEENJ-UHFFFAOYSA-N
rxn:5:178122:226464:223144,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(N4CCC(O)C4)cc3)c1)OCCO2,OHWZLUDHKANMSN-UHFFFAOYSA-N
rxn:5:178122:226464:226321,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(SC4CCCC4)nc3)c1)OCCO2,SFACQKPYTYJCNT-UHFFFAOYSA-N
rxn:5:178122:226971:225810,COc1ccc(-c2cc(-c3ccc4c(c3)CCCOC4)ccc2COC2CCCCO2)c(C2OCCO2)c1,CJMBBYTYHNMJJH-UHFFFAOYSA-N
rxn:5:178122:227592:225499,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3ccc(C4CCCCC4)cc3F)c2)c1OC,IQOMMHGJJFUUOP-UHFFFAOYSA-N
rxn:5:178226:225446:227592,COc1cc(F)cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C)cc(OC3CCCC3)c2)c1OC,JUERNSQAQBXGSO-UHFFFAOYSA-N
rxn:5:178226:225448:227592,COc1cc(F)cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C)ccc2OC2CCCC2)c1OC,BEIODQMOLXTWDO-UHFFFAOYSA-N
rxn:5:178226:226901:226901,FS(F)(F)(F)(F)c1cccc(-c2cccc(OCC3CCCCC3)c2-c2cccc(S(F)(F)(F)(F)F)c2)c1,HPIVJXYYMUQWGN-UHFFFAOYSA-N
rxn:5:178314:225499:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1O[Si](C)(C)C(C)(C)C,HXFLQJSDYINVOD-UHFFFAOYSA-N
rxn:5:178353:226152:225407,COc1cc(C2CC2)cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc(C5CCCCCC5)cc4)c(C)c3)cc2C)c1C,POOHLDDEALLHNL-UHFFFAOYSA-N
rxn:5:179629:225987:225611,COc1cc(N2CCCC2)ccc1-c1c(OC)ccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1S(C)(=O)=O,ICTHQZZAPAJOOC-UHFFFAOYSA-N
rxn:5:180022:222956:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C)cc2C2CCCNC2)c1C1OCCO1,PACSROIKNAIDHP-UHFFFAOYSA-N
rxn:5:180022:223010:223146,COc1c(-c2cccc(C3CNCCO3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,YBNQDLJYWLTVJW-UHFFFAOYSA-N
rxn:5:180022:223010:223148,COc1c(-c2ccccc2C2CNCCO2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,KWWNVRRDJRIEIX-UHFFFAOYSA-N
rxn:5:180022:223010:225453,COc1c(-c2cccc(SC3CCCCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,HMOLBPSMZQYCHJ-UHFFFAOYSA-N
rxn:5:180022:225446:226145,COc1c(-c2ccc(OC3CCCC3)cc2)ccc(-c2cc(C)cc(OC3CCCC3)c2)c1C1OCCO1,AKKIVPFJKRXUNY-UHFFFAOYSA-N
rxn:5:180022:225453:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cccc(SC3CCCCC3)c2)c1C1OCCO1,FVPQOUROHDFGQR-UHFFFAOYSA-N
rxn:5:180022:225677:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,GNHAZUISILNJHK-UHFFFAOYSA-N
rxn:5:180022:225677:226432,COc1c(-c2ccc(C3CCCC3)nc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,PZGSGRFNWNZJIE-UHFFFAOYSA-N
rxn:5:180092:225447:225447,C[Si](C)(C)C#Cc1cc(-c2ccc(OC3CCCCC3)cc2)cc(-c2ccc(OC3CCCCC3)cc2)c1,YONLXBJYXHADMM-UHFFFAOYSA-N
rxn:5:180422:225822:226900,FC(F)(F)c1cccc(-c2ccc(CC3CCCCC3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1C1CC1,YPTJWXOUSMRTDN-UHFFFAOYSA-N
rxn:5:182009:223010:225810,COc1ccc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(C3CCOCC3)c2)c(C2OCCO2)c1,RZBGMIVILVZFHX-UHFFFAOYSA-N
rxn:5:182947:225832:225978,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3ccc(N4CCOCC4)nc3F)c1)OCCC2=O,UHJLPAIXBWTAEJ-UHFFFAOYSA-N
rxn:5:183064:225832:226054,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc2c1CCCC2=O,IJLKFJVSGSGPKO-UHFFFAOYSA-N
rxn:5:188255:225832:226084,COC(=O)c1cc(-c2ccc3c(c2)C(=O)CCCC3)c(C#N)cc1-c1c(C)nn(C2CCCCO2)c1C,ZERHWFPMKDRDFC-UHFFFAOYSA-N
rxn:5:188446:226041:226899,COC(=O)c1cc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,FZLDCIFCOVIIEJ-UHFFFAOYSA-N
rxn:5:188447:226980:225943,COC(=O)c1c(-c2ccc(C(=O)N3CCOCC3)s2)cc(-c2cccc3c2C(=O)CCC3)cc1[N+](=O)[O-],XXCVINWQSCGJCZ-UHFFFAOYSA-N
rxn:5:188448:226686:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)OC)c(-c2c(C)cnn2C2CCCCO2)cc1[N+](=O)[O-],LKMPWWIWYJWDLQ-UHFFFAOYSA-N
rxn:5:188448:226837:226837,COC(=O)c1cc(-c2c(C)nn(CC(F)(F)F)c2C)c([N+](=O)[O-])cc1-c1c(C)nn(CC(F)(F)F)c1C,RMXBPPLLINYDOR-UHFFFAOYSA-N
rxn:5:188595:225937:226836,CCOc1c(-c2cn(C(C)C)nc2C(F)(F)F)cc(-c2cc(C(F)(F)F)ncc2C(C)C)cc1[N+](=O)[O-],HGPNRCCQGRORFL-UHFFFAOYSA-N
rxn:5:188616:226835:225936,CCOc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2cc(C(F)(F)F)cnc2C(C)C)cc1[N+](=O)[O-],AEYIKZGHNBXPTH-UHFFFAOYSA-N
rxn:5:189000:225935:226589,CC(C)Oc1cc(-c2cc(C(C)C)nc(C(F)(F)F)c2)c(-c2cc(C(F)F)ncc2C(C)C)cc1[N+](=O)[O-],JEYDYDCJMMDHRW-UHFFFAOYSA-N
rxn:5:189207:225832:229161,COc1ncncc1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1C(=O)ON1C(=O)CCC1=O,UJWCVEXSPZVFMZ-UHFFFAOYSA-N
rxn:5:189207:226084:228079,O=C1CCCCc2ccc(-c3ccc(-c4cccc5c4COC5=O)c(C(=O)ON4C(=O)CCC4=O)c3)cc21,UMEMOABJQQSSGR-UHFFFAOYSA-N
rxn:5:189207:226187:227546,COC(=O)c1cccc(-c2ccc(-c3cccc(C4CCOCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)c1F,CJGDPOJMNDDJMZ-UHFFFAOYSA-N
rxn:5:189207:226333:226411,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCC3)c2)ccc1-c1ccc(N2CCOCC2)cc1,AZGCMBWGXLMBSW-UHFFFAOYSA-N
rxn:5:189207:226415:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1ccccc1N1CCOCC1,WHYIBCJOILEDKH-UHFFFAOYSA-N
rxn:5:189207:226452:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)ccc1-c1cccc2c1COC2=O,CZCVIVWOFPQRDJ-UHFFFAOYSA-N
rxn:5:189207:226469:227667,CC(=O)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,SLFFANRHMDCAJP-UHFFFAOYSA-N
rxn:5:189207:226980:227203,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1ccc2c(c1)OCCCO2,IJYIDBMZTOODRR-UHFFFAOYSA-N
rxn:5:189207:227065:226980,CC(C)C(=O)c1cccc(-c2ccc(-c3cccc4c3C(=O)CCC4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,CUMGJGPPIICVSH-UHFFFAOYSA-N
rxn:5:189207:227203:225818,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OCCCO3)ccc1-c1ccc(C(F)(F)F)cc1C1CC1,YSWBUOBPXYNKRK-UHFFFAOYSA-N
rxn:5:189207:227205:228340,COc1nc(C2CC2)sc1-c1ccc(-c2cccc3c2OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,CKNWESCCSZJAAF-UHFFFAOYSA-N
rxn:5:189207:227446:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCO3)cc2)ccc1-c1cccc(N2CCOCC2=O)c1,YUVYNTFEMKGSRU-UHFFFAOYSA-N
rxn:5:189207:227507:227656,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C=C[N+](=O)[O-])c2)ccc1-c1cc(N2CCOCC2)cs1,FPQSUJCFEOFJGP-UHFFFAOYSA-N
rxn:5:189207:227507:227679,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C=C[N+](=O)[O-])c2)ccc1-c1ccc2c(c1)OC(F)(F)O2,FAHRAKRFXBPLHJ-UHFFFAOYSA-N
rxn:5:189207:227680:223273,CNC(=O)c1cccc(-c2ccc(-c3cccc4c3OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)c1F,RNEHLBCCWNETPT-UHFFFAOYSA-N
rxn:5:189207:227825:226413,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCC3)c2)ccc1-c1cccc(N2CCOCC2)c1,LRFMLHNOXJAYFW-UHFFFAOYSA-N
rxn:5:189207:228079:225822,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2COC3=O)ccc1-c1cccc(C(F)(F)F)c1C1CC1,POTWGCCKEWSKTR-UHFFFAOYSA-N
rxn:5:189207:228079:226765,COC(=O)c1ccc(-c2ccc(-c3cccc4c3COC4=O)cc2C(=O)ON2C(=O)CCC2=O)c(F)c1F,QGCAPWUVBUNTRM-UHFFFAOYSA-N
rxn:5:189207:228174:225616,CC(=O)Oc1ccc(-c2ccc(-c3ccccc3C(=O)N3CCCC3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,OGEUQOSVBUQPRD-UHFFFAOYSA-N
rxn:5:189208:223425:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccccc2C=NO)ccc1C(=O)ON1C(=O)CCC1=O,KPOXSFVMYZOIIX-UHFFFAOYSA-N
rxn:5:189208:225583:228174,CC(=O)Oc1ccc(-c2cc(-c3cccc(C(=O)N4CCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,NUIOOVZETIWGGA-UHFFFAOYSA-N
rxn:5:189208:226069:228149,COC(=O)c1ccccc1-c1cc(-c2cccc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,KXFLVYNHCVUTFP-UHFFFAOYSA-N
rxn:5:189208:226685:228149,COC(=O)c1ccccc1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1C(=O)ON1C(=O)CCC1=O,PNROQZTXUKNRMC-UHFFFAOYSA-N
rxn:5:189208:226763:227203,COC(=O)c1c(F)cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)OCCCO4)c2)cc1F,SAURJOYEDZUIJY-UHFFFAOYSA-N
rxn:5:189208:226901:227764,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1cc(F)c(C(F)F)c(F)c1,JFNWPFXXGZTOOT-UHFFFAOYSA-N
rxn:5:189208:226966:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc3c(c2)C(=O)CCC3)ccc1C(=O)ON1C(=O)CCC1=O,YEQYPTPJWHSVNX-UHFFFAOYSA-N
rxn:5:189208:227183:227103,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4sccc4C4CCCCC4)c3)ccc2C1=O,CROMQQRPDAWJRS-UHFFFAOYSA-N
rxn:5:189208:227207:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCC3=O)cc1-c1ccccc1C(=O)N1CCC1,JRJXLJJEYNTZBU-UHFFFAOYSA-N
rxn:5:189208:227680:226887,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1ccc(F)c(C(F)(F)F)c1F,ZWOMAPUBWYUEOE-UHFFFAOYSA-N
rxn:5:189209:225451:228077,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc3c(c2)C(=O)OC3)c1,JJQGIPGHWBARGX-UHFFFAOYSA-N
rxn:5:189209:226187:227528,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(C4CCOCC4)c3)c2)cc1F,KWOBOZFPOMXHPD-UHFFFAOYSA-N
rxn:5:189209:226411:223361,CC(=NO)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCOCC4)cc3)c2)cc1,WNMBHWVFFPHLOB-UHFFFAOYSA-N
rxn:5:189209:226886:227206,Cc1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)c(C(F)(F)F)c(F)c3)c2)ccc2c1COC2=O,NACMKRIMZUZJKG-UHFFFAOYSA-N
rxn:5:189209:228066:225584,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2ccc3c(c2)OCCO3)c1,LANQKCYICZXZTH-UHFFFAOYSA-N
rxn:5:189209:228484:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])c(F)c2)cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,UPYDPZUXLSKXHV-UHFFFAOYSA-N
rxn:5:189209:228893:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2cccc([N+](=O)[O-])c2)c1,KPPBMCFQPHUWDP-UHFFFAOYSA-N
rxn:5:189210:222990:228893,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(N3CCC(O)CC3)cc2)cccc1-c1cccc([N+](=O)[O-])c1,OOYVUMAWYJTVFB-UHFFFAOYSA-N
rxn:5:189210:222994:225871,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCC(O)CC3)c2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,GUFFBRPBZUCPRQ-UHFFFAOYSA-N
rxn:5:189210:223347:225879,O=C1NCc2c1cccc2-c1cccc(-c2ccc(N3CCOCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,ODPHPBLWQMHLRX-UHFFFAOYSA-N
rxn:5:189210:225832:223439,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1C(=O)ON1C(=O)CCC1=O,VJTBWODZDLHFEC-UHFFFAOYSA-N
rxn:5:189210:225871:227927,CCC(=O)c1cccc(-c2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2C(=O)ON2C(=O)CCC2=O)c1,YXPVERPADYFKGK-UHFFFAOYSA-N
rxn:5:189210:225871:228628,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1cc(C2CCC2)cs1,QEJBFPUZUXZLTO-UHFFFAOYSA-N
rxn:5:189210:226084:226319,O=C1CCCCc2ccc(-c3cccc(-c4ccc(C(=O)N5CCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)cc21,DHLSHYSXZNUWFD-UHFFFAOYSA-N
rxn:5:189210:226966:227207,O=C1CCCc2ccc(-c3cccc(-c4cccc5c4OCCC5=O)c3C(=O)ON3C(=O)CCC3=O)cc21,YYHOSDWTNPALSA-UHFFFAOYSA-N
rxn:5:189210:228343:226966,COC(=O)c1sc(-c2cccc(-c3ccc4c(c3)C(=O)CCC4)c2C(=O)ON2C(=O)CCC2=O)cc1C,VBRXASMIGXZPOU-UHFFFAOYSA-N
rxn:5:189210:228407:227386,COc1ccc(F)c(F)c1-c1cccc(-c2cnn(C3CCCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,WYIRDGQSAQBPNS-UHFFFAOYSA-N
rxn:5:189211:225407:229088,CC(=O)c1csc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCCCC3)cc2)c1,JQLJBJZZFDNZCT-UHFFFAOYSA-N
rxn:5:189211:226053:227207,O=C1CCOc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(F)c(OC(F)(F)F)c1F,YRGJFWQLMYXHKJ-UHFFFAOYSA-N
rxn:5:189211:226186:227505,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C2CCOCC2)c1-c1ccc(/C=C/[N+](=O)[O-])cc1,BGPVBJWDGURODK-SAPNQHFASA-N
rxn:5:189211:227203:227667,CC(=O)c1ccc(F)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCCO3)c1F,BTNQSGLFWZFXOV-UHFFFAOYSA-N
rxn:5:189211:227501:226415,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccccc1N1CCOCC1,FBZUEHDTPOYDCB-UHFFFAOYSA-N
rxn:5:189211:227680:227330,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2OC(F)(F)O3)c(C)c1,SDJNNGXOAAFOBM-UHFFFAOYSA-N
rxn:5:189211:228320:226415,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccccc2N2CCOCC2)ccn1,SXPFRKZJFOYMMZ-UHFFFAOYSA-N
rxn:5:189212:225702:226185,COC(=O)n1c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCOCC3)cc2)cc2ccccc21,DZYSVBKMNYYMKL-UHFFFAOYSA-N
rxn:5:189212:225873:223427,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2/C=N/O)c(-c2cccc(N3CCOCC3=O)c2)c1,LUBOIEDIWLLNCO-MUFRIFMGSA-N
rxn:5:189212:225873:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)c(-c2cccc(N3CCOCC3=O)c2)c1,UVWXNHNZWASNBA-UHFFFAOYSA-N
rxn:5:189212:225873:228241,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3CCOCC3=O)c2)ccc1F,JMVOXMLOYMINST-UHFFFAOYSA-N
rxn:5:189212:226064:228243,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CCCCC3)cc2)c1F,AFMHMVCQWLGHNB-UHFFFAOYSA-N
rxn:5:189212:226084:227927,CCC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)CCCC3)c1,HNOFZFIUKWFEJL-UHFFFAOYSA-N
rxn:5:189212:226164:228174,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(N3CCCCC3)cc2)cc1,BTTZKBSBBOORKQ-UHFFFAOYSA-N
rxn:5:189212:226411:227066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2ccc(N3CCOCC3)cc2)c1,FYNSJXPPUBEBDX-UHFFFAOYSA-N
rxn:5:189212:226415:225926,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccccc2N2CCOCC2)c1,PRHGWEIIUZQDKJ-UHFFFAOYSA-N
rxn:5:189212:226469:228450,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)N(C)C(=O)CO3)c(F)c(F)c1F,ASLLIMYRTIYUJK-UHFFFAOYSA-N
rxn:5:189212:226601:228079,CC(C)Oc1ccc(F)c(F)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cccc2c1COC2=O,ICDYNROYVXCCMC-UHFFFAOYSA-N
rxn:5:189212:226686:228502,Cc1cnn(C2CCCCO2)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1nn(C)cc1C(F)(F)F,NAZIRQSCLXQDQA-UHFFFAOYSA-N
rxn:5:189212:226686:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1c(C)cnn1C1CCCCO1,ZVJUQDJOVARBSY-UHFFFAOYSA-N
rxn:5:189212:226899:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,DNRRKOIVCRGMNK-VAWYXSNFSA-N
rxn:5:189212:226901:227203,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1,YYKAXTAGLLLITF-UHFFFAOYSA-N
rxn:5:189212:226966:228016,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C3CCCC3)cs2)c(-c2ccc3c(c2)C(=O)CCC3)c1,MKHLARRXPZNYIA-UHFFFAOYSA-N
rxn:5:189212:227103:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)c(-c2sccc2C2CCCCC2)c1,LKFIIAXUUNQMGJ-UHFFFAOYSA-N
rxn:5:189212:227386:227508,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnn(C3CCCCC3)c2)cc(C)n1,CGPGSISOPUJOHT-UHFFFAOYSA-N
rxn:5:189212:228340:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1sc(C2CC2)nc1OC,WVONCHZHAJGJOG-UHFFFAOYSA-N
rxn:5:189212:228499:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(C(F)(F)F)nn1C,JYYYCRMKXCZMLI-UHFFFAOYSA-N
rxn:5:189212:228872:226211,COC(=O)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc2c(c1)CCN2C(C)=O,SLZANOVHSIUOMK-UHFFFAOYSA-N
rxn:5:189321:226084:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc3c(c2)C(=O)CCCC3)nc1C(=O)OC(C)(C)C,GPTNZIDTNNINLM-UHFFFAOYSA-N
rxn:5:189540:222995:226464,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)cc1CN1CC(OC)C1)OCCO2,IYJVSYCSIXLZPJ-UHFFFAOYSA-N
rxn:5:189540:225448:226464,COc1ccc2c(c1-c1ccc(-c3cc(C)ccc3OC3CCCC3)cc1CN1CC(OC)C1)OCCO2,WANXVKTVOMDMMC-UHFFFAOYSA-N
rxn:5:189540:225514:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)cc1CN1CC(OC)C1)OCCO2,VZOXANXGACXVEI-UHFFFAOYSA-N
rxn:5:189540:226464:223010,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CN3CC(OC)C3)c1)OCCO2,DCVHZRLFWZIKCG-UHFFFAOYSA-N
rxn:5:189666:227385:226835,Cc1nc(C(C)(C)C)ncc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1cc(C(F)(F)F)nn1C(C)C,BUYSGYFHHSQSKR-JKQNFZKMSA-N
rxn:5:189668:226899:225926,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1,ZPVSMQNTCHHZRL-UHFFFAOYSA-N
rxn:5:189777:225514:226464,COc1ccc2c(c1-c1ccc(CCN3CCCC3)c(-c3cccc4c3OCC3(CC3)CO4)c1)OCCO2,PJIGNTCAORRKTK-UHFFFAOYSA-N
rxn:5:189827:226774:223270,CC(=O)Nc1cc(F)ccc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1ccc(OC(F)=C(F)F)cc1,UYFQKZFUIHIFKC-UHFFFAOYSA-N
rxn:5:189829:226837:228867,CCc1nc(OC)c(-c2cc(C(=O)N3CCCC3)cc(-c3c(C)nn(CC(F)(F)F)c3C)c2OC)s1,CWHVAPFUWWOMRQ-UHFFFAOYSA-N
rxn:5:189909:222995:226464,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)c(CCN3CCOCC3)c1)OCCO2,QQLCNSWHYFHKRC-UHFFFAOYSA-N
rxn:5:189909:223143:226464,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCC(O)C4)c3)c(CCN3CCOCC3)c1)OCCO2,XFXKCYBYEVKFJB-UHFFFAOYSA-N
rxn:5:189909:223144:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)C4)cc3)c(CCN3CCOCC3)c1)OCCO2,NPBIWANZQYGWEK-UHFFFAOYSA-N
rxn:5:190128:227320:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1c(OC)cccc1N(C)C,WZAPROPJSSRPMF-UHFFFAOYSA-N
rxn:5:190128:227320:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1c(OC)cccc1N(C)C,PIAYTRSSHILXCR-UHFFFAOYSA-N
rxn:5:190128:227688:227320,COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1c(OC)cccc1N(C)C,PHVOOHWJRUESIU-UHFFFAOYSA-N
rxn:5:190128:227690:227320,COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1c(OC)cccc1N(C)C,GJJPLBZLUIXFHR-UHFFFAOYSA-N
rxn:5:190131:222409:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c1OC,NBRBWTWXPGNUTD-UHFFFAOYSA-N
rxn:5:190131:228077:226778,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc4c(c3)C(=O)OC4)c2OC)c(F)c(F)c1OC,KIPRSMDCUOZUFZ-UHFFFAOYSA-N
rxn:5:190131:228357:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2c(C)nc(OC)nc2C)c1OC,PXRNHQHMJXVFPN-UHFFFAOYSA-N
rxn:5:190177:226187:226900,O=C1CC(Sc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2cccc(C3CCOCC3)c2)cc1,ZDLBWWLYHACKPA-UHFFFAOYSA-N
rxn:5:190194:223144:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1ccc(N3CCC(O)C3)cc1)OCCO2,CKDJGYNQRQGAAQ-UHFFFAOYSA-N
rxn:5:190194:225515:223203,COC1CCN(Cc2cccc(-c3cccc4c3OCC(C)(C)CO4)c2-c2cccc(C3(O)CCC3)c2)CC1,SWYZLKPGRYQUJW-UHFFFAOYSA-N
rxn:5:190194:226464:223010,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,LHTHGWDXVSWWSR-UHFFFAOYSA-N
rxn:5:190194:226464:223143,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cccc(N3CCC(O)C3)c1)OCCO2,ZSSZHHHQMNXIKU-UHFFFAOYSA-N
rxn:5:190194:226464:226343,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc(OC3CCOC3)cc1)OCCO2,ZPYZLWOKYYHJJT-UHFFFAOYSA-N
rxn:5:190194:226464:227203,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc3c(c1)OCCCO3)OCCO2,GVZYPWDHUKPDPK-UHFFFAOYSA-N
rxn:5:190194:227951:225802,COC1CCN(Cc2cccc(-c3ccc([N+](C)(C)C)cc3)c2-c2ccc(OC3CCCC3)nc2F)CC1,KMKFHFOXRGYYMI-UHFFFAOYSA-N
rxn:5:190231:226837:228866,COCc1noc(C)c1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,UMHUOUURCFUHLK-UHFFFAOYSA-N
rxn:5:190264:226901:227869,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(c3)CC(C)O4)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)CC1,JPVQQGZFMDXCGF-UHFFFAOYSA-N
rxn:5:190265:226901:223144,CC1CCCN(C(=O)Cc2ccc(-c3ccc(N4CCC(O)C4)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,WZYLDVLQKQBPIH-UHFFFAOYSA-N
rxn:5:190265:227357:226900,CCC(=O)c1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1F,BEYRCEVJGGHJHX-UHFFFAOYSA-N
rxn:5:190265:227872:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc4c(c3)CCC4=O)c2)C1,LTHGOGWOVHXMJY-UHFFFAOYSA-N
rxn:5:190265:227927:226900,CCC(=O)c1cccc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1,ZAVPWFPVJVGKQY-UHFFFAOYSA-N
rxn:5:190265:228631:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccsc3C3CCC3)c2)C1,RRILOPOHDIVFBM-UHFFFAOYSA-N
rxn:5:190299:227683:223284,COc1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)C1=O,MEILBCRJCIHFHJ-UHFFFAOYSA-N
rxn:5:190307:226971:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)cc1CCN1CCC(C)CC1)OCCO2,DFOZRKCQBJLBOR-UHFFFAOYSA-N
rxn:5:190309:225810:223203,COc1ccc(-c2ccc(-c3cccc(C4(O)CCC4)c3)c(CCN3CCCCC3C)c2)c(C2OCCO2)c1,PFLYYEFMNXIZCO-UHFFFAOYSA-N
rxn:5:190484:226886:228071,O=C(c1cccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c1)N1CCC(c2ccccc2-c2cccc3c2OCCO3)S(=O)(=O)CC1,YKGDUPSJLJWSLX-UHFFFAOYSA-N
rxn:5:190484:226901:227027,N#CC1(c2ccccc2-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(S(F)(F)(F)(F)F)c4)c3)CCS2(=O)=O)CC1,VGECSWJHBIJEBN-UHFFFAOYSA-N
rxn:5:190833:226837:228866,COCc1noc(C)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,SXPJAMNMGMTFSA-UHFFFAOYSA-N
rxn:5:190833:228199:228866,COCc1noc(C)c1-c1ccc(-c2cn(C3CCC3)nc2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,DJXROGHFASACAT-UHFFFAOYSA-N
rxn:5:190833:229256:226837,Cc1noc(C)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,KSHBABPPYQTLCM-UHFFFAOYSA-N
rxn:5:192234:226835:225936,COc1c(-c2cc(C(F)(F)F)cnc2C(C)C)cc(-c2cc(C(F)(F)F)nn2C(C)C)cc1S(N)(=O)=O,VCVFXONLNUGHJQ-UHFFFAOYSA-N
rxn:5:192235:226054:226836,COc1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1S(N)(=O)=O,JSUKRBSGCFGNKL-UHFFFAOYSA-N
rxn:5:192236:225927:225633,COc1cc(-c2ccc(N3CCCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,GUTFMTPOQXERKD-UHFFFAOYSA-N
rxn:5:192236:225927:225784,COc1cc(-c2ccc(CN3CCOCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,WDJKAVBKRHSYEF-UHFFFAOYSA-N
rxn:5:192236:225927:225871,COc1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,SBIIQAJRLOXKTB-UHFFFAOYSA-N
rxn:5:192236:226044:225871,COc1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(S(N)(=O)=O)cc1-c1c(F)c(F)cc([N+](=O)[O-])c1OC,SDKFUEDAAFWOMA-UHFFFAOYSA-N
rxn:5:193050:225822:226901,O=C(c1cc(-c2cccc(C(F)(F)F)c2C2CC2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1CCCC1,AWCIIDSRXVTZSS-UHFFFAOYSA-N
rxn:5:193052:225470:226901,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCCC4)c(-c4cccc(S(F)(F)(F)(F)F)c4)c3)cc2)CC1,YLVFMLCNPAECES-UHFFFAOYSA-N
rxn:5:193225:227804:225450,O=C(c1ccc(-c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2C(=O)N2CCOCC2)cc1)C1CCCC1,GFVPUFNALAXQLJ-UHFFFAOYSA-N
rxn:5:193331:222995:226464,COc1ccc2c(c1-c1cc(-c3cccc(N4CCCC(O)C4)c3)ccc1CN1CCOCC1)OCCO2,PPVHXGNALOREOW-UHFFFAOYSA-N
rxn:5:193332:222995:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3cccc(N4CCCC(O)C4)c3)c1)OCCO2,PMOQZIMVAXFSJK-UHFFFAOYSA-N
rxn:5:193333:222995:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1cccc(N3CCCC(O)C3)c1)OCCO2,QHOFLDKAXSZXHD-UHFFFAOYSA-N
rxn:5:193333:226464:222991,COc1ccc2c(c1-c1ccc(CN3CCOCC3)cc1-c1ccc(N3CCCC(O)C3)cc1)OCCO2,JOUYQPFRKMFANF-UHFFFAOYSA-N
rxn:5:193333:226464:222995,COc1ccc2c(c1-c1ccc(CN3CCOCC3)cc1-c1cccc(N3CCCC(O)C3)c1)OCCO2,ASMBRPLBAQWVBH-UHFFFAOYSA-N
rxn:5:193334:222995:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1cccc(N3CCCC(O)C3)c1)OCCO2,RZEXFWVCJDRFFK-UHFFFAOYSA-N
rxn:5:193335:222995:226464,COc1ccc2c(c1-c1cccc(-c3cccc(N4CCCC(O)C4)c3)c1CN1CCOCC1)OCCO2,FHKOHIVFWKNUJV-UHFFFAOYSA-N
rxn:5:193336:222991:226464,COc1ccc2c(c1-c1c(CN3CCOCC3)cccc1-c1ccc(N3CCCC(O)C3)cc1)OCCO2,XHEUABCIMPVHOA-UHFFFAOYSA-N
rxn:5:193336:222995:226464,COc1ccc2c(c1-c1c(CN3CCOCC3)cccc1-c1cccc(N3CCCC(O)C3)c1)OCCO2,CSTUFJDITXBEND-UHFFFAOYSA-N
rxn:5:193337:222995:226464,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)cc1CN1CCOCC1)OCCO2,VNACORVSJVOMLV-UHFFFAOYSA-N
rxn:5:193337:226464:222991,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CN3CCOCC3)c1)OCCO2,PHZWCWLSWPVSHR-UHFFFAOYSA-N
rxn:5:193337:226464:222995,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)c(CN3CCOCC3)c1)OCCO2,FXPNVYJZDBDGRT-UHFFFAOYSA-N
rxn:5:193338:222991:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3ccc(N4CCCC(O)C4)cc3)c1)OCCO2,MDZGJBNGPZZMKT-UHFFFAOYSA-N
rxn:5:193338:222995:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3cccc(N4CCCC(O)C4)c3)c1)OCCO2,KYKQYMMKLPBNOH-UHFFFAOYSA-N
rxn:5:193462:226686:228193,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnn(C3CCCC3)c2)c(CN2CCC(=O)CC2)c1,VZQIWFHHUYUBCC-UHFFFAOYSA-N
rxn:5:193462:227766:226654,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2csc(N3CCC(C)CC3)n2)c(CN2CCC(=O)CC2)c1,BPNZZZKZKJJGAP-UHFFFAOYSA-N
rxn:5:193465:225822:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cccc(C(F)(F)F)c1C1CC1,OPNFCUSPTRXSAA-KRWDZBQOSA-N
rxn:5:193465:225871:226084,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CCCC3)c1-c1cccc(N2C(=O)C=CC2=O)c1,HJVBBXPOMSBIQG-NRFANRHFSA-N
rxn:5:193465:226042:223144,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCC(O)C3)cc2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,PJXYKSLAYZUCHH-HXBUSHRASA-N
rxn:5:193465:226876:226084,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CCCC3)c1-c1ccc(F)cc1OC(F)(F)F,POWSKCXEWFATNL-SFHVURJKSA-N
rxn:5:193465:226887:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccc(F)c(C(F)(F)F)c1F,MDORFMSAERBGJA-KRWDZBQOSA-N
rxn:5:193465:226969:226049,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1-c1ccc2c(c1)CCCC2=O,AKYPSSCFKWOAEP-INIZCTEOSA-N
rxn:5:193465:227709:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cccc(OC(F)(F)F)c1,TXSCSRGHNOUYEJ-IBGZPJMESA-N
rxn:5:193466:226441:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(N2CCCC2)cc1F,FUPZZUJNBWVLSA-LJQANCHMSA-N
rxn:5:193466:226884:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1c(F)cc(C(F)(F)F)cc1F,OJWDHOWXCFGHOM-CQSZACIVSA-N
rxn:5:193467:225986:226779,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)C(F)(F)F)cc2)ccc1-c1ccccc1N1CCCS1(=O)=O,BNXVLZQEXHUFDT-IBGZPJMESA-N
rxn:5:193467:226042:227166,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCCN3C)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,ZOIMTJBOXKIKIK-KRWDZBQOSA-N
rxn:5:193467:226050:223250,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)NC(=O)CO3)ccc1-c1c(F)cc(OC(F)(F)F)cc1F,XSLFVZRCOSDPOV-AWEZNQCLSA-N
rxn:5:193467:226158:226042,C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1-c1ccccc1N1CCCCC1,GXUWGSJRERXUQF-FQEVSTJZSA-N
rxn:5:193467:226749:226211,COc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1C(=O)N1CCC[C@@H]1C,CNVUOCNLZXNWDO-SFHVURJKSA-N
rxn:5:193467:226969:226031,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(F)F)ccc1-c1ccc2c(c1)CCCC2=O,SVAQBHQIRBRVKK-KRWDZBQOSA-N
rxn:5:193467:227207:226042,C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1-c1cccc2c1OCCC2=O,AXNLMSQAKKCGKC-INIZCTEOSA-N
rxn:5:193467:227685:226046,C[C@H]1CCCN1C(=O)c1cc(-c2ccnc(C(F)(F)C(F)(F)F)c2)ccc1-c1ccc(C#N)c([N+](=O)[O-])c1,LLGKXBMZOPOZMU-HNNXBMFYSA-N
rxn:5:193467:227761:222991,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1-c1ccc(F)cc1C(F)(F)F,NBROLZOKRMDFGV-XGLRFROISA-N
rxn:5:193467:227783:226054,C[C@H]1CCCN1C(=O)c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)ccc1-c1cc([N+](=O)[O-])c(F)cc1F,WHDWLSDDPJQINE-LBPRGKRZSA-N
rxn:5:193467:227788:225985,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCS3(=O)=O)c2)ccc1-c1cc(C(F)(F)F)cnc1F,VAKLVHJDXOVBCC-KRWDZBQOSA-N
rxn:5:193467:227804:226774,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],OUYPQKWARBXMFA-ZDUSSCGKSA-N
rxn:5:193468:223145:226826,Cc1cc(-c2cccc(-c3ccc(C4CCC(=O)N4)cc3)c2C(=O)N2CCC[C@@H]2C)c(F)c(C(F)(F)F)c1,AYQRFXUJCILGGI-CPFIQGLUSA-N
rxn:5:193468:225616:226779,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C(F)(F)F)cc2)cccc1-c1ccccc1C(=O)N1CCCC1,MGNCTLKFUKSQKW-FQEVSTJZSA-N
rxn:5:193468:225985:227745,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)cccc1-c1ccc(C(F)(F)F)c(F)c1,MCQZEFZJZWJDSP-SFHVURJKSA-N
rxn:5:193468:226042:225926,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,BFUDHQZNGCUTSL-SFHVURJKSA-N
rxn:5:193468:226042:227680,C[C@H]1CCCN1C(=O)c1c(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)cccc1-c1cccc2c1OC(F)(F)O2,MEHGARRJYZKQMI-AWEZNQCLSA-N
rxn:5:193468:226319:226862,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)N3CCC3)cc2)cccc1-c1cccc(OC(F)(F)F)c1F,PVVXQDCZFQSLLI-SFHVURJKSA-N
rxn:5:193469:225407:227659,Cc1c(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C(=O)N2CCC[C@H]2C)cccc1C(F)(F)F,IRYDNYHDYAUXHY-JOCHJYFZSA-N
rxn:5:193506:223186:228357,COc1nc(C)c(-c2cc(-c3cnn(C4CCCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c(C)n1,SCYXEFAIOZDQIJ-UHFFFAOYSA-N
rxn:5:193506:225616:227197,CN1Cc2ccc(-c3cc(-c4ccccc4C(=O)N4CCCC4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc2C1=O,AZODJIRGQCRQSG-UHFFFAOYSA-N
rxn:5:193506:225794:229091,CC(=O)c1occc1-c1cc(-c2cnc(OC3CCCCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,GMNPMPHEVAKHNW-UHFFFAOYSA-N
rxn:5:193506:226835:227390,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnn2C2CCCCC2)c1,HHWOIMWOYKWQEP-UHFFFAOYSA-N
rxn:5:193506:227625:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2cnc(C3CCCO3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,HMKFTMUGCVZZEU-UHFFFAOYSA-N
rxn:5:193506:227863:226739,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)CCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],NZRPHHUHJRHKFJ-UHFFFAOYSA-N
rxn:5:193506:228199:223186,Cc1nn(C2CCC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(C3CCCCO3)c2)c1,LJWNAAIWDBWPQT-UHFFFAOYSA-N
rxn:5:193506:228653:226838,N#Cc1ncc(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C(F)(F)F,OAHJCKXUPDORHS-UHFFFAOYSA-N
rxn:5:193506:228895:225926,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)CC1,PPUWCUDONHFAIL-UHFFFAOYSA-N
rxn:5:193506:228895:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,IUPBLSMZPDDMBH-UHFFFAOYSA-N
rxn:5:193681:226464:223144,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)C4)cc3)c(OC3CCN(C)CC3)c1)OCCO2,JSECOSVPDIJQSM-UHFFFAOYSA-N
rxn:5:193748:226900:226969,CC1CCCN(C(=O)c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2ccc3c(c2)CCCC3=O)C1,ZKRONTIICCZXKS-UHFFFAOYSA-N
rxn:5:193750:226901:222992,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccc(N3CCCCC3O)cc2)CC1,WJUVPDKJQKIORW-UHFFFAOYSA-N
rxn:5:193752:226738:226469,CC(=O)c1ccc(-c2ccc(C(=O)N3CCCC(C)C3)cc2-c2ccc3c(c2)N(C)C(=O)CO3)c([N+](=O)[O-])c1,SMSMIFYAJKAPEU-UHFFFAOYSA-N
rxn:5:193807:225452:227574,COc1c(F)ccc(-c2cccc(CN3CCC(C)CC3)c2-c2ccc(OC3C=CCCC3)cc2)c1OC,ISIBTIGKUUDXFC-UHFFFAOYSA-N
rxn:5:193808:225985:226901,CC1CCN(Cc2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,AXMHPOUWXZEUHP-UHFFFAOYSA-N
rxn:5:193869:226679:228366,Cc1cc(-c2cnc(N3CCCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N(C)C)c(F)c1,XAOMFAYGSIMUJY-UHFFFAOYSA-N
rxn:5:193869:227769:227498,COc1cc(N(C)C)ncc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2cc([N+](=O)[O-])cnc2OC)cc1C,OTHKRJGOFRIRAZ-UHFFFAOYSA-N
rxn:5:193870:226658:228366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N(C)C)c(F)c2)cc1-c1ccc(N2CCCC2)nc1F,JWZFUJDEWPGKBN-UHFFFAOYSA-N
rxn:5:193870:226837:228704,CCn1nc(C)c(-c2cc(-c3c(C)nn(CC(F)(F)F)c3C)c(C)cc2S(=O)(=O)N2CCCCC2)c1C,UINSXDVKHRXHMO-UHFFFAOYSA-N
rxn:5:193870:228155:225446,COc1ccc(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1OC,LBZAJVGDNTVWGU-UHFFFAOYSA-N
rxn:5:193870:228496:228496,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn(CC(F)(F)F)c2)cc1-c1cnn(CC(F)(F)F)c1,BCBLVNOLBNLSBH-UHFFFAOYSA-N
rxn:5:193870:228502:226685,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCOCC3)nc2)cc1-c1nn(C)cc1C(F)(F)F,JWRVRKPMWLXVSR-UHFFFAOYSA-N
rxn:5:193967:223307:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCNC4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,FSZMGZRCWQVTTN-UHFFFAOYSA-N
rxn:5:193967:226971:228181,COCc1cc(F)ccc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,QFWMYMCKJQLJKY-UHFFFAOYSA-N
rxn:5:193967:227858:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3CN(C)C4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,NKNVGBZTOUALLY-UHFFFAOYSA-N
rxn:5:193968:223307:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCNC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,QIAMJSWEMOXWHH-UHFFFAOYSA-N
rxn:5:193968:226971:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,DWHQDHNETPAUER-UHFFFAOYSA-N
rxn:5:193968:227858:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3CN(C)C4)cc1CN1CCC3(CC1)OCCO3)OCCO2,CPSCHCBJGSOKRW-UHFFFAOYSA-N
rxn:5:193972:225832:229256,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)noc1C,BTZWIYCCJKQOPA-UHFFFAOYSA-N
rxn:5:193972:226146:228155,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(SC4CCCC4)cc3)cc2C)cc1OC,VYKHULNAKASHOE-UHFFFAOYSA-N
rxn:5:193972:226686:223452,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C,AEYATPNNRBYDMR-UHFFFAOYSA-N
rxn:5:193972:227320:228155,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(OC)cccc3N(C)C)cc2C)cc1OC,QQQGNLBTQBRNRD-UHFFFAOYSA-N
rxn:5:193972:228196:223389,Cc1cc(-c2c(C)ncnc2C2CC2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,FTESJSNFLXMYGI-UHFFFAOYSA-N
rxn:5:194397:225818:226900,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1ccc(C(F)(F)F)cc1C1CC1)N1CC2CC2C1,HAOUFNGVISOEGN-UHFFFAOYSA-N
rxn:5:194522:226901:225472,CC(C)CN1CCc2c1ccc(-c1cccc(S(F)(F)(F)(F)F)c1)c2-c1cccc(N2CCCCC2C)c1,STMFMNKJSOZBGF-UHFFFAOYSA-N
rxn:5:194733:226901:226077,COc1ccc2ccccc2c1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,QSRLSFOOJJKHTD-UHFFFAOYSA-N
rxn:5:194733:227663:228992,Cc1ccc(-c2ccc(-c3cccc(C#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1C(F)(F)F,ADLWLRSDZJCEOO-UHFFFAOYSA-N
rxn:5:194733:227894:227664,Cc1cc(-c2ccc(-c3cccc(/C=C/C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(C(F)(F)F)c1,QYSRQILYRMMCPS-HWKANZROSA-N
rxn:5:194733:228844:227894,Cc1c(-c2ccc(-c3cccc(/C=C/C#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc(F)c1F,HLGYBTVSUDEAPQ-HWKANZROSA-N
rxn:5:194733:229201:226901,Cc1ccccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,UFJJVXBTWRZLFZ-UHFFFAOYSA-N
rxn:5:196408:223010:225810,COc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)c(C2OCCO2)c1,CCCGGJVUWXNYEK-UHFFFAOYSA-N
rxn:5:196533:225820:226901,O=C1CC(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)cc1,BOUVDDKQLIRCEY-UHFFFAOYSA-N
rxn:5:196533:225871:225871,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)CC(c4cccc(N5C(=O)C=CC5=O)c4)C3=O)cc2)c1,OXJJTRNQCWHRSK-UHFFFAOYSA-N
rxn:5:196533:225871:225873,O=C1COCCN1c1cccc(C2CC(=O)N(c3ccc(-c4cccc(N5C(=O)C=CC5=O)c4)cc3)C2=O)c1,NEQVGQMPGHWZGC-UHFFFAOYSA-N
rxn:5:196533:225943:227359,COC(=O)c1cccc(C2CC(=O)N(c3ccc(-c4ccc(C(=O)N5CCOCC5)s4)cc3)C2=O)c1C,UDXBMTICQRMOSD-UHFFFAOYSA-N
rxn:5:196622:225937:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cc(C(F)(F)F)ncc2C(C)C)cccc1N1CCCC1=O,HPMKAIAEPLKIRC-UHFFFAOYSA-N
rxn:5:196792:225832:227386,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1N1CCOCC1=O,YYHFYWYHXAPHDN-UHFFFAOYSA-N
rxn:5:196794:225926:225926,O=C1COCCN1c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,PCJYNFTYSZCMEC-UHFFFAOYSA-N
rxn:5:196916:226035:226837,COc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1N1CCCCC1=O,PVBATOLATMXICB-UHFFFAOYSA-N
rxn:5:196916:227766:222993,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cccc(N3CCCCC3O)c2)ccc1N1CCCCC1=O,UYPGVICFXAXZQF-UHFFFAOYSA-N
rxn:5:196918:225924:226395,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cccc(N2CCCCC2=O)c1-c1cncc(N2CCCCC2)c1,HBXMJEDAJDTUHY-UHFFFAOYSA-N
rxn:5:196918:226827:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2ccc(C(F)(F)F)c(C)c2F)cccc1N1CCCCC1=O,LNFSOKPAWONBRZ-UHFFFAOYSA-N
rxn:5:196918:226872:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cc(F)ccc2OC(F)(F)F)cccc1N1CCCCC1=O,XZUGUKTUQBLYCH-UHFFFAOYSA-N
rxn:5:196919:223010:226441,CC1(C)COC(c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2-c2ccc(N3CCCC3)cc2F)=N1,FAXGHYMFFFNIPX-UHFFFAOYSA-N
rxn:5:196923:225938:226332,O=C(c1ccccc1-c1cc(N2CCCCC2=O)ccc1-c1cc(C(F)(F)F)ncc1C1CC1)N1CCC1,VMIQJDCWMIIJSD-UHFFFAOYSA-N
rxn:5:196970:225871:225871,O=C1C=CC(=O)N1c1cccc(-c2nccc(C3CCCCC3)c2-c2cccc(N3C(=O)C=CC3=O)c2)c1,IZHRJHDPOQTSMW-UHFFFAOYSA-N
rxn:5:197526:226319:225616,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(C(=O)N3CCC3)cc1)c2-c1ccccc1C(=O)N1CCCC1,CANZVDHJQUIVFW-UHFFFAOYSA-N
rxn:5:197526:227766:225633,CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1-c1ccc(N3CCCCCC3)nc1)C(=O)CN2C(C)=O,XZQSADKHDFBPQX-UHFFFAOYSA-N
rxn:5:197876:223389:228499,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C)C(=O)N(C(C)(C)C)S2(=O)=O,ZEBUQCCHRYQXOW-UHFFFAOYSA-N
rxn:5:197876:226837:228501,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cnn(C)c1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,VXIQXEOEXCUJTN-UHFFFAOYSA-N
rxn:5:197876:227497:228194,Cc1nc(OC(C)C)ncc1-c1cc2c(cc1-c1c(C)nn(C(C)C)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,FVKQERIQFOYYGI-UHFFFAOYSA-N
rxn:5:197876:229079:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1csc(C3CC3)n1)S(=O)(=O)N(C(C)(C)C)C2=O,DGIZDACBWCNEHG-UHFFFAOYSA-N
rxn:5:226432:180022:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2ccc(C3CCCC3)nc2F)c1C1OCCO1,UWFUWUAKNIWXGD-UHFFFAOYSA-N
rxn:5:226901:193753:227745,CC1CCCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)c(F)c2)c1,KGCJLZPQCPMLMC-UHFFFAOYSA-N
rxn:5:227766:190131:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C(F)(F)F)nn2CC)c1OC,IHFNCLOGRUFEAX-UHFFFAOYSA-N
rxn:4:173406:223812,COC[C@H](C)COCc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,SGMYBNKRLVPQCI-FQEVSTJZSA-N
rxn:4:173560:223525,COC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VEQRITJHHCHGBV-UHFFFAOYSA-N
rxn:4:173564:224569,CC(C)(C)[Si](C)(C)OCCCc1ccc(-c2cc(F)cc(OCC3CCCCC3)c2)cc1,BDEQOBIYNBXPMB-UHFFFAOYSA-N
rxn:4:173865:223589,COCCOc1ccc(C(F)(F)F)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C,FEXHMVOWGGKAHV-UHFFFAOYSA-N
rxn:4:173909:223695,COC(=O)COc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1C(C)=O,ZDNLWVSXPOYPGZ-UHFFFAOYSA-N
rxn:4:174159:223754,COC(=O)c1cc(F)c(OCC(C)C)c(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c1,SMPONSCEIFYBQY-UHFFFAOYSA-N
rxn:4:174159:223958,CCN1CCN(C(=O)c2ccc(-c3cc(C(=O)OC)cc(F)c3OCC(C)C)cc2F)CC1,HVKMHEDBHOKUAR-UHFFFAOYSA-N
rxn:4:174190:223712,CCOCCSc1cc(C)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(C)c1,VGFBCBNFJWJMQY-UHFFFAOYSA-N
rxn:4:174243:223660,COC(=O)c1ccc(OCc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c(F)c2)cc1,RXIRVEBFXDTCHZ-UHFFFAOYSA-N
rxn:4:174406:224569,COC(=O)C1(c2ccc(-c3cc(F)cc(OCC4CCCCC4)c3)cc2)CC(OC)(OC)C1,KMDXSVKIPDWMGH-UHFFFAOYSA-N
rxn:4:174406:224742,COC(=O)C1(c2ccc(-c3cc(C4OCCO4)c(OC)cc3OC)cc2)CC(OC)(OC)C1,PUJAJQADPRYDJJ-UHFFFAOYSA-N
rxn:4:174406:224962,COC(=O)C1(c2ccc(-c3ccccc3COC3CCOCC3)cc2)CC(OC)(OC)C1,QUQMDQBXQYUVIQ-UHFFFAOYSA-N
rxn:4:174406:225125,COC(=O)C1(c2ccc(-c3cc(F)ccc3OCC3CCOC3)cc2)CC(OC)(OC)C1,ZWZLMFCLAFZXEB-UHFFFAOYSA-N
rxn:4:174406:225203,COC(=O)C1(c2ccc(-c3cc(C(F)(F)F)c(C4CC4)cc3C)cc2)CC(OC)(OC)C1,VAGIAWFXCFNSGN-UHFFFAOYSA-N
rxn:4:174407:224426,COC(=O)C1(c2cccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2)CC(OC)(OC)C1,YSFVZKUHTOTGLL-UHFFFAOYSA-N
rxn:4:174407:224569,COC(=O)C1(c2cccc(-c3cc(F)cc(OCC4CCCCC4)c3)c2)CC(OC)(OC)C1,KTHOSBUKWGBJHS-UHFFFAOYSA-N
rxn:4:174407:225125,COC(=O)C1(c2cccc(-c3cc(F)ccc3OCC3CCOC3)c2)CC(OC)(OC)C1,LOAFAQUFRBKZRJ-UHFFFAOYSA-N
rxn:4:174469:224552,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc(F)cc(COC3CCCCC3)c2)cc1F,SYJGYSPYVMKAEM-UHFFFAOYSA-N
rxn:4:174663:223400,CNCc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,CNOCLTPWASGDDC-MCPNDBPUSA-N
rxn:4:174663:224830,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1,IIZXBQAUELAFBO-PDFVDVMRSA-N
rxn:4:174663:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,BZJMHUWDLHYJOW-BWMMMBKGSA-N
rxn:4:174663:227039,CC(C)(C)Oc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,AGOWISZEAPNZKJ-GOKZJXRRSA-N
rxn:4:174663:227501,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)cc1,QCGIBPMPZBCMEN-MCPNDBPUSA-N
rxn:4:174663:227665,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1C(F)(F)F,NRUZSCFGLXFGST-KDFQQASRSA-N
rxn:4:174663:228043,Cn1cnc2cccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)c21,RUAVIRIHFFMMNZ-FVTPAXNCSA-N
rxn:4:174663:228065,Cc1noc2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc12,YQAAFLPHNVWNEY-PDMVVSJHSA-N
rxn:4:174663:228781,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C(F)F)cc2)cc1,NABHPCCIRHSROW-MWUKLDBESA-N
rxn:4:175929:222604,COc1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(OC)cc1C#C[Si](C)(C)C,VRPXRDBSBFLUJU-UHFFFAOYSA-N
rxn:4:175931:222701,Cc1cc(OCCC2OCCO2)cc(C)c1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,VXZCRZCKBCAUIN-UHFFFAOYSA-N
rxn:4:176096:222634,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(F)c1,PSDWQYHOKXOETQ-UHFFFAOYSA-N
rxn:4:176100:222634,CC(C)(C)[Si](C)(C)OCc1cccc(F)c1-c1ccc(OCCNC2CCCC2)c(F)c1,NUTJBDDBCAFGDQ-UHFFFAOYSA-N
rxn:4:176104:224685,CC(=O)c1cccc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)c1OCC1CCCCC1,DJSOQMDZGJHLET-UHFFFAOYSA-N
rxn:4:176119:223534,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2F)cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1,LBNJNLFQALAMGB-UHFFFAOYSA-N
rxn:4:176215:222546,COCCOC1CCCOc2cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)ccc21,MPHNUCNDEOXYAF-UHFFFAOYSA-N
rxn:4:176215:222634,COCCOC1CCCOc2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ccc21,PICFSFRXUZVUKT-UHFFFAOYSA-N
rxn:4:176215:224291,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCOCC4)c(F)c3)ccc21,VPQVFKSKFXGCMH-UHFFFAOYSA-N
rxn:4:176317:227357,CCC(=O)c1cc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1F,OHRZCTRNUMQLTF-UHFFFAOYSA-N
rxn:4:176895:223598,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c(OC)c1F,RSGXLQYUWUIDAK-UHFFFAOYSA-N
rxn:4:177480:223606,O=C(CC1OCCO1)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,UBFOJESKWUYXMW-UHFFFAOYSA-N
rxn:4:177536:223596,CC(C)C(=O)c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F,BAAVFEYTTGWSGN-UHFFFAOYSA-N
rxn:4:178474:223832,CCOC(=O)c1oc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c2c1CCCC2,LKGUHNBMDBFCOV-UHFFFAOYSA-N
rxn:4:178498:224009,CCOC(=O)C1CCc2cc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc2C1=O,BUCGGEIPIJCGGY-UHFFFAOYSA-N
rxn:4:178598:222950,CONS(=O)(=O)c1cc(-c2cccc(C3OC4CCCCC4c4cc(OC)c(OC)cc43)c2)ccc1OC,PIWKLSWPBAFPHE-UHFFFAOYSA-N
rxn:4:178598:224752,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)c1,PFMVMUVBZBEZDL-UHFFFAOYSA-N
rxn:4:178598:224966,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OCC3CCOCC3)cc2)c1,HZLUYWZGZXCUCW-UHFFFAOYSA-N
rxn:4:178598:225200,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(F)c(OC3CCCC3)c2F)c1,UHJGXMVFDJREBN-UHFFFAOYSA-N
rxn:4:180290:223814,COc1c(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1OCCO1,KLHSURDYXUQMQO-UHFFFAOYSA-N
rxn:4:180438:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4COCCO4)c(C4CC4)c3)cc2Cl)CC1,PISVRYWPBAHFCB-UHFFFAOYSA-N
rxn:4:182409:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)ccc3c2)c(F)c1Cl,AVVAIAKFDQZALM-UHFFFAOYSA-N
rxn:4:183271:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c2)CC1,DMAXALBDYMKPMF-UHFFFAOYSA-N
rxn:4:183273:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HHVLOXJNKGAOOY-UHFFFAOYSA-N
rxn:4:183273:225044,C[Si](C)(C)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc([Si](C)(C)C)c1,VEIIPJBUHNLYEN-UHFFFAOYSA-N
rxn:4:183273:225616,O=C(c1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2)N1CCCC1,UGZBWBJQWKTGTH-UHFFFAOYSA-N
rxn:4:183274:224025,c1ccc2cc(-c3ccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCOCCO5)cc3)ccc2c1,BDCRSXSIRHEOEV-UHFFFAOYSA-N
rxn:4:183274:225413,c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c12,RIEZPWNWVAZTEZ-UHFFFAOYSA-N
rxn:4:183482:224593,CCOC(=O)C(=O)Cc1ccc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cc1[N+](=O)[O-],AYFXMMIZYZVOHF-UHFFFAOYSA-N
rxn:4:183870:225361,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cn(C4CCCC4)nc3C(F)(F)F)cc2)C1,JSWGLVSRQSIVOZ-UHFFFAOYSA-N
rxn:4:183877:223121,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc(C(=O)NC3CC3)cc2)C1,XGSRXWIHWUFUAH-UHFFFAOYSA-N
rxn:4:183881:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCC2CN(C(=O)OC(C)(C)C)C2)cc1F,UPRFNLBNPHLDNR-UHFFFAOYSA-N
rxn:4:183881:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3F)cc2[N+](=O)[O-])CC1,JMGXTXFLRNAIBY-UHFFFAOYSA-N
rxn:4:183943:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,OZNIZGFPSNFRAT-UHFFFAOYSA-N
rxn:4:183963:223590,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,LLERTAJAFDDUGN-UHFFFAOYSA-N
rxn:4:183964:223139,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(C3CCNCC3)nc2)c1,HKWRADPWRIQQBF-UHFFFAOYSA-N
rxn:4:184001:228927,COC(=O)C1(c2ccc(-c3c(F)ccnc3OC)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,YWCPTWMFUREJIU-UHFFFAOYSA-N
rxn:4:184014:223595,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2)CC1,DKPPFMPBARJHBL-UHFFFAOYSA-N
rxn:4:184026:223480,Cc1cc(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HZCCTLTZOYTJOS-UHFFFAOYSA-N
rxn:4:184836:222605,CCN(CC)c1cc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)c(C(=O)OC)cc1F,NFGQLGKFRJVOHH-UHFFFAOYSA-N
rxn:4:185111:227613,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cnn(C3CCOCC3)c2)CC1,PYTBEUMZAJUENR-UHFFFAOYSA-N
rxn:4:185159:222827,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)c1,SSTYWEYRJCYLGV-UHFFFAOYSA-N
rxn:4:185191:224775,CC1CCCCN1CCCOc1c(F)cccc1-c1cnc(C(F)(F)F)c(C2CCCC2)c1,ORWOEXUCKDREFZ-UHFFFAOYSA-N
rxn:4:185267:225877,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(Cl)cc3N3CCOCC3)c2)CC1,NRIBXRSVGLRDFF-UHFFFAOYSA-N
rxn:4:185318:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c(F)cn2)CC1,XTZDYXXKFINMHA-UHFFFAOYSA-N
rxn:4:185377:223531,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1,OWMPLOIPGPEFSJ-UHFFFAOYSA-N
rxn:4:185378:223935,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)CC1,CRMLPZNOFBTLMW-UHFFFAOYSA-N
rxn:4:185383:223505,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc(C(F)(F)F)c2)CC1,MCAIGFPRSFNLQN-UHFFFAOYSA-N
rxn:4:185386:225992,CC(C)Cn1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)c(C(F)(F)F)n1,GGGOZTLBNWHJLG-UHFFFAOYSA-N
rxn:4:185388:223883,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2C(F)(F)F)C1,SSHMDFKDKNZDSB-UHFFFAOYSA-N
rxn:4:185407:223840,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,VLLVSHOENOBQAQ-UHFFFAOYSA-N
rxn:4:185407:225769,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(OCC2CC2)c(F)cc1F,QWNIMAHUOOLMNZ-UHFFFAOYSA-N
rxn:4:185438:224597,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)CC1,DADCANFWMHEPNZ-UHFFFAOYSA-N
rxn:4:185438:227403,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)s3)cc2)CC1,GFWVPHCZKYKIJS-UHFFFAOYSA-N
rxn:4:185440:228515,CCc1cccc(C)c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,RLNUFCJBSLYRIU-UHFFFAOYSA-N
rxn:4:185441:225294,CCN1CCN(c2ncc(-c3ccc(C4(c5ccc(Cl)cc5)CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,UZNUUFQCAFXRJT-UHFFFAOYSA-N
rxn:4:185976:223695,COC(=O)Cc1ccc([N+](=O)[O-])c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,CJYVVMJHYLUWJO-UHFFFAOYSA-N
rxn:4:186031:223602,COC(=O)Cc1nc(C(F)(F)F)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,LVMBEJODTJGBGE-UHFFFAOYSA-N
rxn:4:186660:224757,COc1cccc(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,DGQNOQCANIAMNV-UHFFFAOYSA-N
rxn:4:186661:224686,COc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C(=O)N2CCCCC2)cc1F,PGMPGDHFUDLRCD-UHFFFAOYSA-N
rxn:4:186749:223695,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)SC1=S,CQYMCSURUMOGBG-UHFFFAOYSA-N
rxn:4:186749:224397,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)SC1=S,VWAHWXNZTQVLIO-UHFFFAOYSA-N
rxn:4:186990:224820,O=C(CS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)N1CCOCC1,AAVHXVXFFQPXKS-UHFFFAOYSA-N
rxn:4:186992:222656,O=C(NC1CCCCC1)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCOCC2)cc1F,BMRKMABXWPPDJC-UHFFFAOYSA-N
rxn:4:187011:225618,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3cccc(OC4CCCCO4)c3)cc2F)C1=O,UPGNBOMEKGSKQA-HMTLIYDFSA-N
rxn:4:187108:223787,Cc1ccc(OCCN2CCOCC2)c(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c1,AOLYBHLQTZBFRS-UHFFFAOYSA-N
rxn:4:187118:225159,COC(=O)CN1CCC(c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2)CC1=O,VDAVQOOTPCDKQN-UHFFFAOYSA-N
rxn:4:187189:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,CJXYKIUFCUPOIC-UHFFFAOYSA-N
rxn:4:187189:224653,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2)C1,IKKXPKPRZPIELH-UHFFFAOYSA-N
rxn:4:187204:223940,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cc2Cl)C1,FPIZVPRFIPDBOJ-UHFFFAOYSA-N
rxn:4:187250:224180,COC(=O)c1ccc(-c2ccccc2OCCN2CCN(C)CC2)c(CN2CCCC(F)(F)C2)c1,QGNXVNIHMAFWFX-UHFFFAOYSA-N
rxn:4:187300:223784,CCN1CCN(CCOc2ccc(-c3ccc(OCCN4CCC(C)CC4)c(Cl)c3)cc2F)CC1,WVJVHZGYKVALTM-UHFFFAOYSA-N
rxn:4:187327:225712,CCOC(=O)COc1ccc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)cc1,JKPCDRVOJCDWQW-HXUWFJFHSA-N
rxn:4:187418:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)C4)c3)c2F)C1,OMRMBBDFMFQHPE-UHFFFAOYSA-N
rxn:4:187573:222929,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)CC1,LUPHLJVGLZKVDV-UHFFFAOYSA-N
rxn:4:187573:223501,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,MQIYKDGXCZTHEV-UHFFFAOYSA-N
rxn:4:187573:223593,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,YUJQHYJRUOKZAP-UHFFFAOYSA-N
rxn:4:187589:225227,CC1CCN(c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2Cl)CC1,YCKMWRJSHZIEJR-UHFFFAOYSA-N
rxn:4:187631:223480,Cc1cc(-c2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QLVKHTPWZMOEEX-UHFFFAOYSA-N
rxn:4:187659:226714,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2)CC1,IJSBTNLNTOYUEZ-UHFFFAOYSA-N
rxn:4:187668:223492,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DPQXYFSPLNNTGW-UHFFFAOYSA-N
rxn:4:187673:225233,CC1CCCN(c2cc(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cnc2Cl)C1,NUBVEBXBKIZXEQ-UHFFFAOYSA-N
rxn:4:187910:224397,CSC1CC2CCC(C1)N2C(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1,IGSDWZLXXJIYJN-UHFFFAOYSA-N
rxn:4:187936:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OC)c(S(=O)(=O)N2CCCc3ccccc32)cc1OC,VGXLZINHEJXJQW-UHFFFAOYSA-N
rxn:4:187943:227611,COc1ccc(-c2ccnn2C2CCCCO2)c2c1CCN(C(=O)OC(C)(C)C)CC2,HWAPNMUWMSQJKY-UHFFFAOYSA-N
rxn:4:187944:222856,COc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,WDRJZBXUAKOPPZ-UHFFFAOYSA-N
rxn:4:187944:224877,c1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1COC1CCCCC1,NFPDFCOSYQFVKR-UHFFFAOYSA-N
rxn:4:187944:225432,c1cc(COC2CCCC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,IHIKCAREZVYWLK-UHFFFAOYSA-N
rxn:4:187944:226417,Clc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc(N2CCCC2)c1,CWKHNDYPUOSKCL-UHFFFAOYSA-N
rxn:4:187995:228214,CCc1cc(-c2cnc(C3CC3)cc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,KNVBCULFFJLPQV-UHFFFAOYSA-N
rxn:4:188462:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(Cl)cc1[N+](=O)[O-],XAAVPACSXBJDKC-UHFFFAOYSA-N
rxn:4:189168:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1,KCGAJMCUUBJOEQ-UHFFFAOYSA-N
rxn:4:189603:224764,Cc1cccc(-c2ccc(C(=O)N3CCOCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,SZBWRSJHOTWWMJ-UHFFFAOYSA-N
rxn:4:189700:224684,CN(C(=O)c1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)o1)C1CCS(=O)(=O)C1,OLKZDUMPHRMXQE-UHFFFAOYSA-N
rxn:4:189765:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(F)c(C(=O)N(C)c2ccccc2F)c(F)c1,IBHHAGVDFNTLCO-UHFFFAOYSA-N
rxn:4:189791:223591,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1S(=N)(=O)C1CCC1,ZZBDUFGLAFVGPM-UHFFFAOYSA-N
rxn:4:190025:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)CN1CCCCC1=O,UXJBSOOMFIDUQP-UHFFFAOYSA-N
rxn:4:190125:223842,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1N1CCCCC1,OPRJNDFJZQXGMI-UHFFFAOYSA-N
rxn:4:190155:224817,COc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(=O)CC1,OKHSUQNRSJWTRK-UHFFFAOYSA-N
rxn:4:190224:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCOCC2)c(S(C)(=O)=O)c1,NYHDLBXNGCYLAY-UHFFFAOYSA-N
rxn:4:190238:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCC(OC)CC2)c(F)cc1F,CMVSWTVEUCAMLM-UHFFFAOYSA-N
rxn:4:190271:223754,CC1CCN(CCCOc2ccc(-c3cc(F)ccc3CC(=O)N3CCC(C)CC3)cc2Cl)CC1,YWGGCQRFZGAVIL-UHFFFAOYSA-N
rxn:4:190379:225269,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2OC)c(C(=O)OC)c1,HOMYWDTUUZNTPP-UHFFFAOYSA-N
rxn:4:190380:225178,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(CN2CCOCC2)cc1F,NJUNNCDZXUOIHJ-UHFFFAOYSA-N
rxn:4:190397:224819,O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,ISMMSYRPOPLYBR-UHFFFAOYSA-N
rxn:4:190445:224878,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccccc1COC1CCCCC1,BYYHOWMEBZPOEM-UHFFFAOYSA-N
rxn:4:190827:224414,CC(C)(C)OC(=O)N1Cc2c(cccc2-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)C1=O,MWBVNBJQDVRFCK-UHFFFAOYSA-N
rxn:4:190931:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)OC(C)(C)C)cc2)C1,JRHWQSRVFUJODN-UHFFFAOYSA-N
rxn:4:190952:223773,COc1cccc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c12,PBSCXHHGKUFROO-UHFFFAOYSA-N
rxn:4:191043:226886,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cc(F)c(C(F)(F)F)c(F)c4)ccc3C2=O)CC1,AKYBEADOVVNPGA-YGUOUDRMSA-N
rxn:4:191104:223860,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccccc3CN3CCCc4ccccc43)cc12,ACKWEOFMKVLZMT-UHFFFAOYSA-N
rxn:4:191117:227916,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccc(OC4CC4)cc3)c12,LMTMNGHHMXUQPQ-UHFFFAOYSA-N
rxn:4:191121:223581,COC(=O)c1cccc2cc(-c3ccc4c(c3F)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)n(C(=O)OC(C)(C)C)c12,ZHRIUVNVETYJOD-UHFFFAOYSA-N
rxn:4:191121:226839,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc(C(F)(F)F)ncc3C#N)c(F)c1C2=O,IOLKGBWUFNCMLC-UHFFFAOYSA-N
rxn:4:191833:223606,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1C(F)(F)F,LFYFUOAARKQBRN-UHFFFAOYSA-N
rxn:4:191834:223695,COc1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc([N+](=O)[O-])c(F)c1F,FHXHZQJPXOXWLV-UHFFFAOYSA-N
rxn:4:192126:223712,COc1ccc(-c2cc(C(F)(F)F)ccc2S(N)(=O)=O)cc1C12CC3CC(CC(C3)C1)C2,MDZTXGIDTORZKE-UHFFFAOYSA-N
rxn:4:192773:223941,CSC1=NC(=Cc2cccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c2)C(=O)S1,DQRKTBFESUALJB-UHFFFAOYSA-N
rxn:4:193184:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2Cl)CC1,AGHIIWWDYVCIPN-UHFFFAOYSA-N
rxn:4:193450:223687,C[C@H](c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1)N1CCCC1=O,RQNFUKSKOOOZAR-GOSISDBHSA-N
rxn:4:193568:223498,CC(=O)c1ccc(N2CCOCC2)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,YYTWWRXDQNYUEF-UHFFFAOYSA-N
rxn:4:193627:222619,O=C(NCc1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1)C1CCCCC1,MCMHSNTWYGWZKF-UHFFFAOYSA-N
rxn:4:193883:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCCC(C)C2)c(F)cc1F,LQRAPJCMCDYXJK-UHFFFAOYSA-N
rxn:4:193886:225361,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cn(C2CCCC2)nc1C(F)(F)F,RNGDWIQPTSNFQF-UHFFFAOYSA-N
rxn:4:193976:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,RNGUMEPDZCQZOJ-UHFFFAOYSA-N
rxn:4:194057:223539,COC(=O)c1cc(F)cc2nc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)sc12,BVPLBCQPODGNNU-UHFFFAOYSA-N
rxn:4:194180:223539,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc2nc(C)oc12,FCMLZWQYHZDSPV-UHFFFAOYSA-N
rxn:4:194197:223521,COC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2oc(C)nc2c1,MKHROWNUTNMYKS-UHFFFAOYSA-N
rxn:4:194712:224414,FC(F)(F)C1CCCN(C2CCc3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc32)C1,DSVHJSPSNMVMLD-UHFFFAOYSA-N
rxn:4:194729:223696,O=S(=O)(c1ccc(-c2ccc3c(c2)CN(CC2CCOCC2)CC3)cc1)N1CCC2(CC1)OCCO2,GNBHWUGZRGJIGG-UHFFFAOYSA-N
rxn:4:194730:222816,COc1ccc(-c2ccc3c(c2)CCC3N2CCC(OC)CC2)cc1S(=O)(=O)NC(C)C,YZMGKPOEZKGNMU-UHFFFAOYSA-N
rxn:4:194730:223814,COC1CCN(C2CCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)ccc32)CC1,AVJAXXNVDBDZOZ-UHFFFAOYSA-N
rxn:4:194730:223926,COC1CCN(C2CCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)ccc32)CC1,FAMZFQNEBSIZQL-UHFFFAOYSA-N
rxn:4:194730:224193,CCN1CCN(Cc2cc(-c3ccc4c(c3)CCC4N3CCC(OC)CC3)ccc2F)CC1,UAOTUHAYMWHNLC-UHFFFAOYSA-N
rxn:4:194750:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc1,RIGIPQBACSQJMF-UHFFFAOYSA-N
rxn:4:194768:223597,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)ccc32)CC1,QVUCSFHSLZKSKN-UHFFFAOYSA-N
rxn:4:194768:223598,COC1CCN(C2CCCc3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)ccc32)CC1,XOSFJGXWJROHJB-UHFFFAOYSA-N
rxn:4:196486:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(C2CCOCC2)cs1,COWFHDBOFIZCEN-UHFFFAOYSA-N
rxn:4:197958:223953,COCCN1CCN(c2cc(F)cc(-c3cccc4c3CCCC4N3CCOCC3)c2)CC1,DWDZPCRHQCJFSE-UHFFFAOYSA-N
rxn:4:197988:224494,CC1CCN(C2CCCc3c(-c4ccc(CCOC5CCCCO5)cc4)cccc32)CC1,FVKADEQUTAKDPR-UHFFFAOYSA-N
rxn:4:198848:223588,Cc1cc(-c2nc3c(s2)CS(=O)(=O)CC3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GVGVWMWGUDQRHN-UHFFFAOYSA-N
rxn:4:198848:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3nc4c(s3)CS(=O)(=O)CC4)c2)CC1,XKNGNYODWZDDLT-UHFFFAOYSA-N
rxn:4:199577:222864,CC(C)NCCOc1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)cc1F,PWTNYZDWOFSDHT-UHFFFAOYSA-N
rxn:4:199643:225438,CCN1CCN(CCCOc2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2F)CC1,DUKRKKLCHWDLDB-UHFFFAOYSA-N
rxn:4:199645:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(OCC4CCCN4C(=O)OC(C)(C)C)n3)c2)CC1,FYHDBLDXRIXZOP-UHFFFAOYSA-N
rxn:4:199645:223652,COc1ccc(Cl)c2cc(-c3cccc(OCC4CCCN4C(=O)OC(C)(C)C)n3)n(C(=O)OC(C)(C)C)c12,GEXXFQMDSQYUAJ-UHFFFAOYSA-N
rxn:4:199652:223931,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)C1,ZULNOYXWFBHXTL-UHFFFAOYSA-N
rxn:4:199683:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(-c2cnc(SCc3ccccc3)n2Cc2ccco2)cc1,CSROTTZPHARZDU-UHFFFAOYSA-N
rxn:4:199709:222948,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(N4CCC(O)CC4)nc3Cl)n2)CC1,WTVABLNUGUBZQA-UHFFFAOYSA-N
rxn:4:199709:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,NETJWABWHZOGNN-UHFFFAOYSA-N
rxn:4:199743:223526,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,AJSSHWJHBSJOKY-UHFFFAOYSA-N
rxn:4:199764:224271,COC(=O)c1cc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,GHOQJGDNPURSJU-UHFFFAOYSA-N
rxn:4:199769:222395,COc1cc(Cl)c(-c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JXLXHPRTDYXUSE-UHFFFAOYSA-N
rxn:4:199784:223596,COc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,KVAPYPUYNPYXTJ-UHFFFAOYSA-N
rxn:4:199784:226715,COc1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ZRDJGHMURLPDEN-UHFFFAOYSA-N
rxn:4:199810:223560,COC(=O)c1cc(-c2ccc(-c3ccccc3N(C)C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2ccccc12,RIFIQNLGUIQAOY-UHFFFAOYSA-N
rxn:4:199818:224327,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,UAQVKNOAZCBDNO-UHFFFAOYSA-N
rxn:4:199839:224277,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,CFHGDDHNISRMAH-LJQANCHMSA-N
rxn:4:199846:223505,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,SKSWLMIQVVFLJO-UHFFFAOYSA-N
rxn:4:200120:223577,COC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,OOHDMODZMXFLAX-UHFFFAOYSA-N
rxn:4:200355:224392,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nn1CCC1CCCCC1,KYFGNRPQDZUPMG-UHFFFAOYSA-N
rxn:4:200369:224268,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)cc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)C1,UWFNMKMDCBXOLN-UHFFFAOYSA-N
rxn:4:200370:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,AGNDQNGWNNRNSF-UHFFFAOYSA-N
rxn:4:200372:224820,O=C(CCc1ccccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC(N2C(=O)CSC2=O)C1,UPHYTYNUJBMGKC-UHFFFAOYSA-N
rxn:4:200384:228295,CCOC(=O)n1ccc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)c1,VHONJGKSCDHMNU-UHFFFAOYSA-N
rxn:4:200386:227572,COC(=O)c1cccc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1Cl,DKBZYVHJZFNFCM-UHFFFAOYSA-N
rxn:4:200473:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cc2[N+](=O)[O-])CC1,AZNVVFQQTGIZCZ-OAQYLSRUSA-N
rxn:4:200473:223888,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)n2)C1,JCEFSICAUQLLLY-OAQYLSRUSA-N
rxn:4:200473:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(Cl)c1,KNJDWTIETNOBGC-LJQANCHMSA-N
rxn:4:200481:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cccnc1O[C@H]1CCN(C(=O)OC(C)(C)C)C1,XNZWAKLHNRFROP-INIZCTEOSA-N
rxn:4:200555:225312,CN1CCCN(c2ncc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,FTCDLVRIVXSGBG-UHFFFAOYSA-N
rxn:4:200567:222855,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(OC)cc(C4CCCNC4)c3)c(C)c2)CC1,CYKNKOJLBSWQKC-UHFFFAOYSA-N
rxn:4:200567:224392,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)c(C)c2)CC1,AMDJFQCKDITXIR-UHFFFAOYSA-N
rxn:4:200600:224597,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C2CC2)cc(N2CCOCC2)c1,HCEXFRDJWOVESD-UHFFFAOYSA-N
rxn:4:200603:223594,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,CUDZRTJDWSBFSE-UHFFFAOYSA-N
rxn:4:200605:223669,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,QRYROVFRNAUILA-UHFFFAOYSA-N
rxn:4:200615:226686,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1-c1c(C)cnn1C1CCCCO1,XLHFQMGFCCSIFE-UHFFFAOYSA-N
rxn:4:200631:229091,CC(=O)c1occc1-c1cccc(C=C2SC(=S)N(CCC(=O)N3CCOCC3)C2=O)c1,QPNHQIFQAUOLRL-UHFFFAOYSA-N
rxn:4:200643:226115,CC(C)CC(=O)c1cccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,HUWYMYVAWDCIQI-UHFFFAOYSA-N
rxn:4:200651:226896,COCn1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)n1,WAYUMDMYOCCOMC-UHFFFAOYSA-N
rxn:4:200655:225538,CC(C)COc1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1C#N,DJEYFASTJTVNMY-UHFFFAOYSA-N
rxn:4:200671:223353,CC(=O)Nc1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,BUSQKBJMCFUSQR-UHFFFAOYSA-N
rxn:4:200671:227095,O=C1CC(c2ccc(-c3ccccc3CCC(=O)N3CCC(N4C(=O)COC4=O)CC3)cc2)C1,TUROWXJCQAKEHR-UHFFFAOYSA-N
rxn:4:200700:223669,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CC1,OXRGMEMXSFSMOZ-UHFFFAOYSA-N
rxn:4:200707:223932,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2F)CC1,BRQCNFNBAHBJJS-UHFFFAOYSA-N
rxn:4:200709:223521,CC(c1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PUQRNCFJFTWAJW-UHFFFAOYSA-N
rxn:4:200711:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cccc(F)c2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,IIFUXRTZEGVPCZ-UHFFFAOYSA-N
rxn:4:200720:222466,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)CC1,OPGLANPBSNYWDR-UHFFFAOYSA-N
rxn:4:200741:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)c(OC)cc1C,FWARXHDVMDNFSI-UHFFFAOYSA-N
rxn:4:200774:222424,COc1cccc(C2CC(c3ccc(-c4cccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)c4)cc3)=NN2S(C)(=O)=O)c1OC,NBYNVXICKZJOPO-UHFFFAOYSA-N
rxn:4:200783:222929,Cc1cc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,GYKRIRFOWFSRLF-UHFFFAOYSA-N
rxn:4:200797:223845,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,JNCCDISAZIIISX-UHFFFAOYSA-N
rxn:4:200797:224597,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CC2)cc(N2CCOCC2)c1,VXZGWUOHDXDBLC-UHFFFAOYSA-N
rxn:4:200799:224755,O=C(CCc1ccccc1-c1cc(C(=O)N2CCOCC2)ccc1F)N1CCC(N2C(=O)COCC2=O)CC1,HZJYPOIFWQGASN-UHFFFAOYSA-N
rxn:4:200799:227139,N#Cc1cccc2sc(-c3ccccc3CCC(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc12,LEGSAFMYZTYNOE-UHFFFAOYSA-N
rxn:4:200817:222769,CC(c1ccccc1-c1ccc(C(=O)NC2CCCC2)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ZEUCZJAQLJRESW-UHFFFAOYSA-N
rxn:4:200822:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,GNLBXIIGVJUHDE-UHFFFAOYSA-N
rxn:4:200823:227503,Cc1cc(-c2cc(OC(C)C)ncc2F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UZXFARDDNXJEEY-UHFFFAOYSA-N
rxn:4:200824:223774,COc1cccc2c1cc(-c1ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,LOQQGPYTAMVEFL-UHFFFAOYSA-N
rxn:4:200832:224320,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,SDRLDYZDUBPCLW-UHFFFAOYSA-N
rxn:4:200839:223503,COc1c(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,VXOPNQOIJZJBNT-UHFFFAOYSA-N
rxn:4:200839:227549,COC(=O)c1cc(Cl)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1OC,HIKAFVXHRUNTJD-UHFFFAOYSA-N
rxn:4:200866:222893,CCOC(=O)c1n[nH]c2cc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4C)c3)ccc12,DQYZRCYCYBTOKM-UHFFFAOYSA-N
rxn:4:200881:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCCN(C2CCSCC2)CC1,LDVFIWANLXQDQX-UHFFFAOYSA-N
rxn:4:200882:223121,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(C(=O)NC4CC4)cc3)c1)C2,IVYUBRPGSZJHKX-UHFFFAOYSA-N
rxn:4:200882:226321,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(SC4CCCC4)nc3)c1)C2,CFXHTRYTECDGRX-UHFFFAOYSA-N
rxn:4:200882:227468,CCN(CC)c1ncc(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)cn1,PVSONRMFLAEFCU-UHFFFAOYSA-N
rxn:4:200890:222846,CCOc1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,AWPDUIYMLOGAHH-UHFFFAOYSA-N
rxn:4:200903:224323,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)cc2C(C)C)CC1,YTHYTNDTANONLC-UHFFFAOYSA-N
rxn:4:201140:222935,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)c3ccccc3S2(=O)=O)c1,QCLICVRQJGUORP-UHFFFAOYSA-N
rxn:4:201144:223520,CC(c1ccc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,DTSSMCLHLBXYJO-UHFFFAOYSA-N
rxn:4:201151:226247,CCOc1ccc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)c(OCC)c1,RMZUKFRHGGTCDE-UHFFFAOYSA-N
rxn:4:201237:223541,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)nn1CC(F)(F)F,ULWSIZKBCNPWLX-UHFFFAOYSA-N
rxn:4:201393:223695,CCOC(=O)Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n(C)c1C,CJKOQCQKEYAUOQ-UHFFFAOYSA-N
rxn:4:201645:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)cs3)cc2)C1,JYMJBNARZBDUJL-UHFFFAOYSA-N
rxn:4:201765:225384,O=C(c1ccc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1)N1CC(CN2C(=O)COC2=O)C1,UFHDEODMSZJYHV-UHFFFAOYSA-N
rxn:4:201765:226717,CCOc1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1[N+](=O)[O-],VAANJPRJIKAHJO-UHFFFAOYSA-N
rxn:4:201765:226737,N#Cc1cc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1C(F)(F)F,IXPXUEAXCWTBEG-UHFFFAOYSA-N
rxn:4:201774:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cs1,ZFZCZXQKXICLOR-INIZCTEOSA-N
rxn:4:201815:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)c(C(=O)N4CCN(C)CC4)c3)cc2)CC1,YKJPIWOIQOSPRC-YHBQERECSA-N
rxn:4:201817:222957,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(C)cc(C2CCCNC2)c1,ARJKSTGISLZHQY-UHFFFAOYSA-N
rxn:4:201946:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)cn2)CC1,CCBBINOCVIDNEH-UHFFFAOYSA-N
rxn:4:201958:223040,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)NC4CC4)c(F)c3)c(F)n2)C1,KLZRWANQCBJKPO-UHFFFAOYSA-N
rxn:4:201988:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(C)CC4)c3OCC)cc2)CC1,DDDNYZUCHGMVKR-UHFFFAOYSA-N
rxn:4:202002:225087,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCCCN(C)C)c(F)c3)ccc2OC)CC1,KDZPVBUBRWUFTE-UHFFFAOYSA-N
rxn:4:202073:223750,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)C(=O)C1,UCIJTJUQJRNSSG-UHFFFAOYSA-N
rxn:4:202095:224278,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc2c(ccn2C(=O)OC(C)(C)C)c1,KEMPLGQIGBEIGG-UHFFFAOYSA-N
rxn:4:202098:223084,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(N4CCC(O)CC4)nc3)nc2)CC1,WDHKCSVPAGIQKL-UHFFFAOYSA-N
rxn:4:202103:223818,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,SHZDDFJHMZTVTN-UHFFFAOYSA-N
rxn:4:202106:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cc2)CC1,AECPPMKAKDEUSA-UHFFFAOYSA-N
rxn:4:202126:223507,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PMYHRNHTFJXFFR-UHFFFAOYSA-N
rxn:4:202126:223529,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FEMDYABXIMPACQ-UHFFFAOYSA-N
rxn:4:202161:225111,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(OC)c(OCC(C)C)c1F,CUAPPKZGSNUZRO-UHFFFAOYSA-N
rxn:4:202209:223658,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,FZKBNVVKCAINAB-UHFFFAOYSA-N
rxn:4:202285:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(OC)CC4)c(N4CCCC4)c3)cc2)CC1,UYGOMDJPNHCUAC-QVYRIUEQSA-N
rxn:4:202298:223493,COc1cc(C)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,JAGGSWWCHZNZED-UHFFFAOYSA-N
rxn:4:202298:223993,COc1cc(C)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,OAPILAXCJFUPQL-UHFFFAOYSA-N
rxn:4:202310:223241,O=S(=O)(c1ccc(-c2cncc(C3CCNC3)c2)cc1)N1CCCSCC1CN1CCOCC1,WZXFBTYBSJXYDX-UHFFFAOYSA-N
rxn:4:202313:227390,O=C(C1CCN(Cc2ccccc2-c2ccnn2C2CCCCC2)CC1)N1CCC(F)(F)CC1,CZZZPMHMIGUBRE-UHFFFAOYSA-N
rxn:4:202320:225454,CN1CC=C(c2ccc(-c3cc(F)cc(N4CCN(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)CC1,JNDWCTDFBNWWAK-UHFFFAOYSA-N
rxn:4:202320:226946,CN1CCc2cc(-c3cc(F)cc(N4CCN(O[Si](C)(C)C(C)(C)C)CC4)c3)ccc2C1,FXGGFMPTISGHGW-UHFFFAOYSA-N
rxn:4:202341:225620,CC(C)N1CCN(Cc2cc(-c3ccc(OC4CCOCC4)cc3)cc(C(C)(C)C)c2)CC1,IGDAHJIBFPMVKI-UHFFFAOYSA-N
rxn:4:202341:226087,CCCCCOc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1,CXJBKXHGLYTWIY-UHFFFAOYSA-N
rxn:4:202341:226190,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCC4)cc3F)cc(C(C)(C)C)c2)CC1,PQIBOTLSTBJBAF-UHFFFAOYSA-N
rxn:4:202689:224278,CC(C)(C)OC(=O)N1C(=O)CCC(N2Cc3cc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)ccc3C2=O)C1=O,JSHIBBCQCGFOQN-UHFFFAOYSA-N
rxn:4:202689:226421,CC(C)(C)OC(=O)N1C(=O)CCC(N2Cc3cc(-c4ccc(Cl)cc4N4CCCC4)ccc3C2=O)C1=O,IDTPUMHDLLKOBQ-UHFFFAOYSA-N
rxn:4:202697:223649,COc1ccc(N2C(=NC(=O)c3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,FNXYVEQWQKGHGS-UHFFFAOYSA-N
rxn:4:202700:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4C5CCC4CC(N4C(=O)CCC4=O)C5)cc3)cc2)CC1,LAFLWEVTMHXLKT-XWCQGCFQSA-N
rxn:4:202755:224274,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cc5cnccc5n4C(=O)OC(C)(C)C)ccc3OCC2=O)CC1,XGZBTZBHYRCIQV-UHFFFAOYSA-N
rxn:4:202782:222583,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc2OC3c2ccco2)cc1,LQCQRUSFBIMCDS-UHFFFAOYSA-N
rxn:4:203457:223695,Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1C(=O)OC(C)(C)C,UYSKDQSKJZGYPA-UHFFFAOYSA-N
rxn:4:203684:224396,COc1c(-c2ccc(S(=O)(=O)N3CCOCC3)c(C)c2)cncc1S(=O)(=O)N1CCOCC1,SPJKVJBLIVORRI-UHFFFAOYSA-N
rxn:4:203709:226544,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c(OC)c1,ZIBXDGLQMXXEJV-UHFFFAOYSA-N
rxn:4:203712:224959,O=S(=O)(c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1)N1C=CC(C(F)(F)F)=NCC1,FRSYSCFOGMSKKN-UHFFFAOYSA-N
rxn:4:203827:222826,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,ICQVLZBRAVLALY-UHFFFAOYSA-N
rxn:4:203833:228465,COC(=O)c1sc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1Cl,HKHGIMQMVTYPPN-UHFFFAOYSA-N
rxn:4:203897:223525,CCS(=O)(=O)N1CCN(c2cccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,PKEFXOCWXISYCV-UHFFFAOYSA-N
rxn:4:203937:224290,O=S(=O)(c1ccccc1-c1ccc(Cl)cc1OCCN1CCOCC1)N1CC(N2CCCC2)C1,NDCBIWKFAZDGIY-UHFFFAOYSA-N
rxn:4:203940:224820,O=S(=O)(c1cccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)c1)N1CCOCC1,WDAIIQPQLMKYNT-UHFFFAOYSA-N
rxn:4:203985:223955,O=C(c1ccccc1-c1ccc(SCc2ccccc2[N+](=O)[O-])cc1)N1CCC(N2C(=O)COC2=O)CC1,IPFIDBSDIBNFHN-UHFFFAOYSA-N
rxn:4:203985:225325,CCOC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc([N+](=O)[O-])c1,XGUNWMNPHXWBLN-UHFFFAOYSA-N
rxn:4:203985:225453,O=C(c1ccccc1-c1cccc(SC2CCCCC2)c1)N1CCC(N2C(=O)COC2=O)CC1,DRYJZWCETYEMJB-UHFFFAOYSA-N
rxn:4:203985:226272,CCN(C)C(=O)c1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,XOIKQXKYFIRUMO-UHFFFAOYSA-N
rxn:4:203985:227574,COc1c(F)ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1OC,XHXURENMFBALHN-UHFFFAOYSA-N
rxn:4:204014:223810,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)c2)CC1,FXVNZFPSNIOVFN-UHFFFAOYSA-N
rxn:4:204021:224820,O=C(C1CCC1)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,QCFAXQZGJQBKGU-UHFFFAOYSA-N
rxn:4:204046:224008,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc([N+](=O)[O-])c1)N1CCOCC1,QTCUMZUTDVGTGF-UHFFFAOYSA-N
rxn:4:204048:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC2(C)C)cc1,YGRDKYDOLILDEY-UHFFFAOYSA-N
rxn:4:204070:222915,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(C(=O)NC2=NCCS2)cc1,PTKNKHJAZFWQID-UHFFFAOYSA-N
rxn:4:204070:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)cc2)CC1,GFGHLRGHIGOBOC-SOAUALDESA-N
rxn:4:204082:228174,CC(=O)Oc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1,WGYKFMIJYFITHX-UHFFFAOYSA-N
rxn:4:204082:228298,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cs1,MMLNBGIYXYJPMR-UHFFFAOYSA-N
rxn:4:204082:228389,Cc1ccc([N+](=O)[O-])c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,DLMMIWDEWMDJJE-UHFFFAOYSA-N
rxn:4:204096:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)cc2)CC1,STKBUSVRMXFPKV-VTKKZYJESA-N
rxn:4:204100:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)cc2)CC1,PKVBYRASAHOGRM-UHFFFAOYSA-N
rxn:4:204109:223985,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1S(=O)(=O)N1CCCCC1,CLCZNTSHMKIQCH-UHFFFAOYSA-N
rxn:4:204109:227526,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1Cl,IZWJLABJYVCPSP-UHFFFAOYSA-N
rxn:4:204109:227951,C[N+](C)(C)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,ZRPCREGAOCLJPG-UHFFFAOYSA-N
rxn:4:204166:222719,CC1CCCCN1Cc1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc1N1CCOCC1,UHKXCZPBUXCFIE-UHFFFAOYSA-N
rxn:4:204166:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,XPJHWZLQQSABQH-UHFFFAOYSA-N
rxn:4:204167:222702,CC1CCCN(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2N2CCOCC2)C1,USSAXNGYMZEKNY-UHFFFAOYSA-N
rxn:4:204167:226464,COc1ccc2c(c1-c1ccc(CN3CCCC(C)C3)c(N3CCOCC3)c1)OCCO2,QQJIXZIVKLGJAP-UHFFFAOYSA-N
rxn:4:204168:226464,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(N3CCOCC3)c1)OCCO2,SSOKAPSZHPKMOH-UHFFFAOYSA-N
rxn:4:204418:222605,CCOC(=O)c1c(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)nn2c1O[C@H](C)CC2,RCKSXPLQFRYXOQ-CQSZACIVSA-N
rxn:4:204452:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc4c(ccn4C(=O)OC(C)(C)C)cn3)c2)CC1,CEGXTCWVEHISNG-UHFFFAOYSA-N
rxn:4:204475:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1nc(Cl)cc2ccn(C(=O)OC(C)(C)C)c12,MIKCOOOLMXIABF-UHFFFAOYSA-N
rxn:4:204595:224746,CC(=O)N1CCN(c2ccc(-c3nc4c(s3)CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,ULSFJLDZVJYXLT-UHFFFAOYSA-N
rxn:4:204600:222540,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)nc2C1,WXNIYAQFJCELGA-UHFFFAOYSA-N
rxn:4:204780:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc(C2CCCNC2)n1,BMZLAMUEKLPNKO-UHFFFAOYSA-N
rxn:4:204844:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)c2ccccc12,JTTGBWVBVHBBRG-UHFFFAOYSA-N
rxn:4:204871:223493,Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(-c5cc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)ccc5C)cc4)C3C2=O)cc1,CCTORHVKQSQQEF-UHFFFAOYSA-N
rxn:4:204872:224371,COC(=O)C1CCN(c2ncc(-c3ccc(N4C(=O)C5ON(c6ccc(Cl)cc6)C(c6ccc(C)cc6)C5C4=O)cc3)cn2)CC1,CUZSDSNHBLDTPO-UHFFFAOYSA-N
rxn:4:205162:223534,CCn1nc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1S(=O)[O-],AODXKQGBCLKIQM-UHFFFAOYSA-M
rxn:4:205370:223696,NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,OGOKTHNNSKVLKZ-UHFFFAOYSA-N
rxn:4:205824:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)c2)CC1,IRCPNWGBDFHWRY-UHFFFAOYSA-N
rxn:4:206669:223683,COc1nc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cn1C1CCCCC1,MERNDLBCBPFUCA-UHFFFAOYSA-N
rxn:4:206747:222812,CC(C)(C)OC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2N2CCC(F)(F)CC2)cnc1Cl,YEZCYWLNACORDG-UHFFFAOYSA-N
rxn:4:206828:223846,Cc1cc(-c2ccc(C(=S)N3CCN(C)CC3)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,NXHHTOVPLNZMHX-UHFFFAOYSA-N
rxn:4:206931:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCN(C)CC2)cc1F,RPIBKWBFTDSRHR-UHFFFAOYSA-N
rxn:4:206941:222604,COc1ccc(-c2ccc(N3N=C(C(C)(C)C)CC3=O)cc2)cc1S(=O)(=O)NC1CCCC1,LPBYVVMCGCNMRX-UHFFFAOYSA-N
rxn:4:207030:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CC4CCCN(C)CC4)n3)cc2)CC1,HSYNGCDAYJSMBX-PECFQXNXSA-N
rxn:4:207061:224396,Cc1cc(-c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,PAMCDLZEPYJHRI-UHFFFAOYSA-N
rxn:4:207177:223606,COC(=O)C1=COc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)n2C1,RQEWXWZSKYCJQC-UHFFFAOYSA-N
rxn:4:207181:222426,COC(=O)c1c[nH]c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)nc12,QKOKLEQPSNLJBL-UHFFFAOYSA-N
rxn:4:207856:224878,CC(C)N1CCN(C2CCCc3cc(-c4ccccc4COC4CCCCC4)ccc32)CC1,UIKNPGKEBBCEIJ-UHFFFAOYSA-N
rxn:4:207946:222775,COc1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,IBIZSMGAMXZOFF-UHFFFAOYSA-N
rxn:4:207946:222777,COc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,BIKKHKVWQJOSLQ-UHFFFAOYSA-N
rxn:4:207946:224494,COc1cc(-c2ccc(CCOC3CCCCO3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VPEBUURFGFZGDX-UHFFFAOYSA-N
rxn:4:207946:224878,COc1cc(-c2ccccc2COC2CCCCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KANROKIFBRDZHB-UHFFFAOYSA-N
rxn:4:207946:225200,COc1cc(-c2ccc(F)c(OC3CCCC3)c2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FPTWUVVHWTYZJM-UHFFFAOYSA-N
rxn:4:209642:223588,Cc1cc(-c2cn(C3CCCCC3)cn2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,CXYKBYJCKVCQQP-UHFFFAOYSA-N
rxn:4:209642:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cn(C4CCCCC4)cn3)cn2)CC1,JHDZSIMTTYVYDB-UHFFFAOYSA-N
rxn:4:210536:223834,Cc1cc(-c2c(C(F)(F)F)nc3n2CCCC3)cc(C)c1S(=O)(=O)N1CCN(C)CC1,XJRNEKFPPOLVDD-UHFFFAOYSA-N
rxn:4:210595:223843,CCN(CC)S(=O)(=O)c1ccc(-c2nc3c(c(C(F)(F)F)n2)CCCC3)c(C(F)(F)F)c1,WLMWYEBBSCZVKT-UHFFFAOYSA-N
rxn:4:210936:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3nc(N4CCCCC4)sc3c2)CC1,HHHUAQPQNFNXKD-UHFFFAOYSA-N
rxn:4:211068:224378,N#CC1=C2CCCN2c2cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,FTMHGYJYQJTYOF-UHFFFAOYSA-N
rxn:4:211089:224810,N#CC1=C2CCCCCN2c2cc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,YAJRASINCHCSKS-UHFFFAOYSA-N
rxn:4:211089:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,KBEHHTDHKDTRII-UHFFFAOYSA-N
rxn:4:211101:224656,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)c(F)c1OC1CCCC1,BWNPKTUZMYPNGX-UHFFFAOYSA-N
rxn:4:211681:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ncn2c1CCC2,NYVUOLUHWIMJAN-UHFFFAOYSA-N
rxn:4:212005:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn2c1C(=O)CCC2,USVLQNRGPCVOEH-UHFFFAOYSA-N
rxn:4:212499:223590,COCCOc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)nn1COC,SBZJSAXOGFGARB-UHFFFAOYSA-N
rxn:4:212515:225181,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cccc(CN2CCOCC2)c1F,XMBCRDBJORGPBM-UHFFFAOYSA-N
rxn:4:212541:225519,CCOC(=O)CCc1ccc(-c2cncc(OCC3CN(C(=O)OC(C)(C)C)C3)n2)cc1,RMVWVOUTYJVPJO-UHFFFAOYSA-N
rxn:4:212593:226655,CN(C(=O)c1ccc(-c2cc(Cl)cnc2N2CCCC2)nc1)C1CN(C(=O)OC(C)(C)C)C1,YYZKFHSWDXOOGA-UHFFFAOYSA-N
rxn:4:212636:223106,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cnc(N4CCC(O)C4)nc3Cl)cn2)CC1,WRQWUCOCAMSXFC-UHFFFAOYSA-N
rxn:4:212653:222729,CCCc1cc(-c2nc(C(=O)OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CCCNC2)n1,RVEACMNRQCDIID-UHFFFAOYSA-N
rxn:4:212692:223556,CC1CN(C(=O)Cc2cncc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,FTCBWJZJYMEWCB-UHFFFAOYSA-N
rxn:4:212693:224158,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)c1,UTJGLLHDWWBULN-UHFFFAOYSA-N
rxn:4:212695:225674,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2cnc(C3CCCCC3)cc2F)CC1,XBRITDHUJMQHTM-UHFFFAOYSA-N
rxn:4:212723:223832,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(C)CC6)ccc5OC)cc4)CC3)n2)cc1,OKHBVXHVPFVQHE-UHFFFAOYSA-N
rxn:4:212743:227698,COc1ncc(Cl)c(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c1OC,IPJVSEWXKXBPDB-UHFFFAOYSA-N
rxn:4:212770:227222,CCOC(=O)c1nn2c(c1-c1ccc(N(CC)CC)nc1)CN(C(=O)OC(C)(C)C)CC2,XPWYEUWRFMPTCH-UHFFFAOYSA-N
rxn:4:212770:227513,CCOC(=O)c1nn2c(c1-c1cc(C)c(OC)nc1OC)CN(C(=O)OC(C)(C)C)CC2,UUFPYWUJDVKSIT-UHFFFAOYSA-N
rxn:4:212816:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cc2)c1,WMEMOARBIDHSCI-UHFFFAOYSA-N
rxn:4:212877:223811,COC(=O)c1nnn(-c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)c1C(=O)OC,AMBUENAPFXNPQC-UHFFFAOYSA-N
rxn:4:212939:223931,CC(C)(C)OC(=O)N1CC(Cc2ncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1,SWIRZHMHJYHCRF-UHFFFAOYSA-N
rxn:4:212971:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1nnc(C2CCCN(C(=O)OCc3ccccc3)C2)s1,KCWIZSFSQTYRJW-UHFFFAOYSA-N
rxn:4:213070:224076,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cn2)CC1,QAYWDQQLQSREDM-UHFFFAOYSA-N
rxn:4:213081:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1,QSXJFZIHSBGFFT-UHFFFAOYSA-N
rxn:4:213093:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)ccc2Cl)CC1,YMZLUMLOEQVOPI-UHFFFAOYSA-N
rxn:4:213093:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)cc1,HTJQZVUGVGTCRG-UHFFFAOYSA-N
rxn:4:213093:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)cc1,ABLIPXZRMXVTDQ-UHFFFAOYSA-N
rxn:4:213093:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N,MJIDGYYLENITLE-UHFFFAOYSA-N
rxn:4:213095:223602,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,ZOMMAYHIYQPSTH-UHFFFAOYSA-N
rxn:4:213100:223504,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c(C(F)(F)F)n2)CC1,VBXNQLBAXKGDJS-UHFFFAOYSA-N
rxn:4:213100:224290,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)c(C(F)(F)F)n2)CC1,NMCOGOIIQDDDRO-UHFFFAOYSA-N
rxn:4:213100:228218,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(C4CC4)ncc3F)c(C(F)(F)F)n2)CC1,CXGYDTDDIPPQBX-UHFFFAOYSA-N
rxn:4:213128:223671,COc1nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,CTNLJKKOSHWYIR-UHFFFAOYSA-N
rxn:4:213129:224290,COc1nc(-c2ccc(Cl)cc2OCCN2CCOCC2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,APEBUISCOJILAG-UHFFFAOYSA-N
rxn:4:213129:227376,COc1nc(-c2cncc(N3CCCC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,HBWQBBPOHPTAJN-UHFFFAOYSA-N
rxn:4:213141:224057,Cc1cc(OCc2ccccc2)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])cc1C,PRGJLDWWFLBPRG-UHFFFAOYSA-N
rxn:4:213144:222892,COc1cc(N2CCNCC2)ccc1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1,CTMNWYJGMBHJRN-UHFFFAOYSA-N
rxn:4:213144:225876,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(Cl)ccc2N2CCOCC2)CC1,ILLQMZYPIAIBSV-UHFFFAOYSA-N
rxn:4:213202:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)CC2)ccc1F,OSMJIPONQPMADS-UHFFFAOYSA-N
rxn:4:213218:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)nc3)cc2)CC1,FJDBCHAMWUDZHZ-SDHOMARFSA-N
rxn:4:213226:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cc2)C1,IQCMFDIDCMQQPX-ACEFPKFPSA-N
rxn:4:213266:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,QZXSNMLHXHODDS-UHFFFAOYSA-N
rxn:4:213320:226382,COC(=O)c1nc(-c2cnc(C3CCCCC3)nc2)n2c1CN(C(=O)OC(C)(C)C)CC2,BKXPKETWBVNZHZ-UHFFFAOYSA-N
rxn:4:213349:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn(Cc4ccccc4)c4c3CN(C(=O)OC(C)(C)C)C4)c(Cl)c2)CC1,IZJCNLAPQIXBOS-UHFFFAOYSA-N
rxn:4:213458:227786,COc1ccc(-c2cnc(F)c(C(F)(F)F)c2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,HWAIGDZMWOQDTB-TWJOJJKGSA-N
rxn:4:213476:228206,CN(C)c1cc(F)cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c1,RKJQYEJTEVSRMI-QREKHBBPSA-N
rxn:4:213476:228930,CSc1c(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)ccnc1F,ZBWNQVJKKKRWJK-QBROEMKGSA-N
rxn:4:213505:223539,COC(=O)Cn1c(C)nc([N+](=O)[O-])c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,AAZLPIGLBHNIHY-UHFFFAOYSA-N
rxn:4:213626:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2[N+](=O)[O-])CC1,YRJJAVYXVUYUTI-UHFFFAOYSA-N
rxn:4:213755:225832,Cc1nn(C2CCCCO2)c(C)c1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,PXOOSDZDALHZEI-UHFFFAOYSA-N
rxn:4:213759:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(C2CCCN2C(=O)OC(C)(C)C)cn1,PGJWXWAKQXQRCY-UHFFFAOYSA-N
rxn:4:213764:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2)C1,FNPIYCVTDHNBTI-UHFFFAOYSA-N
rxn:4:213767:223773,COc1cccc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)n(C(=O)OC(C)(C)C)c12,LVAZPAQFFFUNFS-UHFFFAOYSA-N
rxn:4:213769:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(C3CCCN3C(=O)OC(C)(C)C)nc2)CC1,SFDJIQAPVDBOHF-UHFFFAOYSA-N
rxn:4:213786:224326,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)ccc1S(=O)(=O)N1CCCCC1,ZJHYRGYZSCAPCA-UHFFFAOYSA-N
rxn:4:213798:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c(Cl)c1,HLIIRKIHKCIYSF-UHFFFAOYSA-N
rxn:4:213833:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cnc1Cl,YRVRDQYTPNFDML-UHFFFAOYSA-N
rxn:4:213880:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)CC1,MYNXBALSUAIMMJ-UHFFFAOYSA-N
rxn:4:213880:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LCDCKWMRXMCPIU-UHFFFAOYSA-N
rxn:4:213881:223650,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,NMVMIOPADJAOAX-UHFFFAOYSA-N
rxn:4:213882:222722,O=S1(=O)CCC(CN2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C2)CC1,CJQUZFXLLDEJQO-UHFFFAOYSA-N
rxn:4:213884:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nccc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,KALOUCTXNDSMSZ-UHFFFAOYSA-N
rxn:4:213892:224986,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCCCC3)cc2C#N)CC1,LWQCXCJHRXAZGO-UHFFFAOYSA-N
rxn:4:213896:223505,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,XXUVIFRDRMMYBF-UHFFFAOYSA-N
rxn:4:213896:224971,CN1CCN(Cc2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,RTXKYOQPVNZZDQ-UHFFFAOYSA-N
rxn:4:213896:225952,Cc1nc(N2CCOCC2)ncc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1,RYVIHMXLXZUBAO-UHFFFAOYSA-N
rxn:4:213899:225831,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cnc(N2CCOCC2)c(C)c1,DHKKUKBEQWCTJH-UHFFFAOYSA-N
rxn:4:213905:222621,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc(C2CCCNC2)n1,HXPHMVQFDPIMLI-UHFFFAOYSA-N
rxn:4:213918:224820,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,XPVAJPGOULGSKE-UHFFFAOYSA-N
rxn:4:213920:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)c2)CC1,LYDKQPLIAKRZLE-UHFFFAOYSA-N
rxn:4:213941:225286,Cc1c(-c2cc(F)ncc2C(=O)OC(C)(C)C)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,QZHDMLULTIWORN-UHFFFAOYSA-N
rxn:4:213942:226679,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCCC2)cc1F,OHLUQPGJVGGRMH-UHFFFAOYSA-N
rxn:4:213943:226267,COCCOc1ccc(C)cc1-c1cn[nH]c1C1(C)CCN(C(=O)OC(C)(C)C)CC1,KZECFRBFLVXCTE-UHFFFAOYSA-N
rxn:4:213950:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OC2CCN(S(=O)(=O)C3CCCCC3)C2)nc1,SYLVZDYSOQUJHP-UHFFFAOYSA-N
rxn:4:213979:223536,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,JBOUQOOXBGKFHR-UHFFFAOYSA-N
rxn:4:213979:223823,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,CQYWABXSLOANSM-UHFFFAOYSA-N
rxn:4:214041:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccccc6)CC5)n4)cc3)cc2)CC1,WWDPWVHJNJKZQM-UHFFFAOYSA-N
rxn:4:214044:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC(c4nc(-c5cccc(F)c5)no4)C3)cc2)cc1S(=O)(=O)N1CCOCC1,UZMNQXQVMWDABE-UHFFFAOYSA-N
rxn:4:214047:223579,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,NYIXXORBJRDTTE-UHFFFAOYSA-N
rxn:4:214050:222787,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1F,HNADPUQYAMZCRJ-SJORKVTESA-N
rxn:4:214051:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3nc(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c(C(C)C)s3)cc2)CC1,CVXGLUCFAJWUQT-MKAXWDIPSA-N
rxn:4:214057:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,KGBIYYMVYHRCAD-OGESRWMOSA-N
rxn:4:214058:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,SYLVYPVNRXXEKI-SOAUALDESA-N
rxn:4:214060:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)c3)cc2)CC1,PZBZKGXRGRVOQO-MCZWQBSQSA-N
rxn:4:214070:226739,CC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1[N+](=O)[O-],HMSSASRKCCQPGS-UHFFFAOYSA-N
rxn:4:214135:224582,CCN(CC)S(=O)(=O)c1c(-c2cccc(N3CCN(C4CC4)CC3)c2)nc2n1CCOC2,VPEXDDLEJCSRSG-UHFFFAOYSA-N
rxn:4:214135:224752,CCN(CC)S(=O)(=O)c1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)nc2n1CCOC2,ULJMAKPUAVNYHK-UHFFFAOYSA-N
rxn:4:214135:224826,CCOC(=O)c1cc(-c2nc3n(c2S(=O)(=O)N(CC)CC)CCOC3)cnc1C(F)(F)F,LQSAOFWUXGTUAD-UHFFFAOYSA-N
rxn:4:214145:227407,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cc(Cl)cnc3C(C)(C)C)c2C1,SIOACPBMJSVXGS-UHFFFAOYSA-N
rxn:4:214147:226792,CC(C)(C)OC(=O)N1CCn2c(-c3cnc(N4CCOCC4)nc3)nc(C(F)(F)F)c2C1,DDZNTYXAHJEDNJ-UHFFFAOYSA-N
rxn:4:214147:227680,CC(C)(C)OC(=O)N1CCn2c(-c3cccc4c3OC(F)(F)O4)nc(C(F)(F)F)c2C1,AICQLCSCZDARGR-UHFFFAOYSA-N
rxn:4:214185:226691,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(Cl)c(N4CCCC4)c3)c2C1,DWCTXVKROSWEFV-UHFFFAOYSA-N
rxn:4:214229:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc2C1,MIPRCSDIUCZQSP-UHFFFAOYSA-N
rxn:4:214274:223504,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cccc32)CC1,OCYRLVOKUONFAW-UHFFFAOYSA-N
rxn:4:214276:222974,CC(C)(C)NC(=O)c1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1,CRKFVQIFZGPIQU-UHFFFAOYSA-N
rxn:4:214276:223536,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3[nH]2)CC1,XBFKJZZPNVRKET-UHFFFAOYSA-N
rxn:4:214276:223594,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3[nH]2)CC1,TUFSOSLRBUFOSW-UHFFFAOYSA-N
rxn:4:214276:223937,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)cnc3[nH]2)CC1,YHSVZTFVRXXKFS-UHFFFAOYSA-N
rxn:4:214277:224290,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(Cl)cc4OCCN4CCOCC4)cc32)CC1,RUOWXIADXLAMQG-UHFFFAOYSA-N
rxn:4:214277:225294,CCN1CCN(c2ncc(-c3cc4c(cnn4C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,VYYRUDHSIINNBL-UHFFFAOYSA-N
rxn:4:214304:223436,CNc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(F)n1,XYZAUJHAYIQEBZ-UHFFFAOYSA-N
rxn:4:214304:228902,COc1cnc(Cl)c(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1,CUVXZIHGWFXBDI-UHFFFAOYSA-N
rxn:4:214328:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2Cl)CC1,OSJAZSSTQVPMPF-UHFFFAOYSA-N
rxn:4:214711:224396,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)CC1,OUKCKSPGHJLSRH-UHFFFAOYSA-N
rxn:4:214765:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])c(C)c1,LALLMGWIFVAJPC-UHFFFAOYSA-N
rxn:4:214766:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)c([N+](=O)[O-])c3)cc2)CC1,XDYYENRLBSWXGU-MEMLXQNLSA-N
rxn:4:214770:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc([N+](=O)[O-])c(N2CCC(N(C)C)CC2)c1,KILKINBVOCREGI-UHFFFAOYSA-N
rxn:4:214774:222803,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)CC1,GFIJZGAWUBGJKK-UHFFFAOYSA-N
rxn:4:214838:228349,O=C(C1CN(c2ncc(-c3cnn(C4CCOC4)c3)cc2F)CCO1)N1CCOCC1,CEKGVJFMUMRXDO-UHFFFAOYSA-N
rxn:4:214866:225880,O=C(C1CCCN(c2ccc(-c3cc(C4CCOCC4)ncc3F)cn2)C1)N1CCOCC1,LYYGNHVDWOMRNU-UHFFFAOYSA-N
rxn:4:215054:224830,CC(C)(C)OC(=O)N1CCc2c(-c3cc(C(F)(F)F)nn3C3CCCCO3)ncn2C1=O,KUFKJYZPKPPUGE-UHFFFAOYSA-N
rxn:4:215058:224834,CN(C)S(=O)(=O)n1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,LHFHJFCDXRUPMY-UHFFFAOYSA-N
rxn:4:215065:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,LZRFCFYWOYBJPZ-UHFFFAOYSA-N
rxn:4:215098:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2,QTRMGAWNGJQFKD-UHFFFAOYSA-N
rxn:4:215100:223883,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)n2CC1,MIMDXADOLFIEGT-UHFFFAOYSA-N
rxn:4:215100:223931,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2CC1,XPEZVHZPGDGMBO-UHFFFAOYSA-N
rxn:4:215100:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,MHSNLDFQMKSAPL-UHFFFAOYSA-N
rxn:4:215101:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,HAODQDSSAZASAK-UHFFFAOYSA-N
rxn:4:215101:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,WKYUCMLVBFJIBW-UHFFFAOYSA-N
rxn:4:215102:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cn3c(n2)CCN(C(=O)OC(C)(C)C)CC3)c1,PLGINRNWNNQDFB-UHFFFAOYSA-N
rxn:4:215103:225008,COC1CCN(c2ccc(-c3cn4c(n3)CN(C(=O)OC(C)(C)C)CCC4)cc2)CC1,UPQMJLHPWGLBNT-UHFFFAOYSA-N
rxn:4:215104:223886,CC(C)(C)OC(=O)N1CCc2c(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)ncn2CC1,KWBVKEGHRSSUTD-UHFFFAOYSA-N
rxn:4:215109:224991,Cn1nc2c(c1-c1cc(C3CC3)nc(N3CCCC3)c1)CN(C(=O)OC(C)(C)C)CC2,GEDVFXYGGPYTMC-UHFFFAOYSA-N
rxn:4:215214:225947,CN1CCN(c2ncc(-c3cnc4n3CC3(COCCN(C(=O)OC(C)(C)C)C3)C4)cn2)CC1,UPLIXRUFPYVZGK-UHFFFAOYSA-N
rxn:4:215214:226000,CC(=O)Oc1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1[N+](=O)[O-],MZZQPVFKPNXEFO-UHFFFAOYSA-N
rxn:4:215844:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN(C)CC4)n3)cc2)CC1,GBRCSLDQMGXVHW-UHFFFAOYSA-N
rxn:4:215855:223872,CCN(C(=O)c1cccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)c1)C1CCCCC1,AWYVYOLRUNRSDB-UHFFFAOYSA-N
rxn:4:215908:224830,CS(=O)(=O)N1CCN(c2cncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c2)CC1,HBWJIFBOAOAYGS-UHFFFAOYSA-N
rxn:4:215965:224198,CCN1CCN(Cc2ccc(-c3cc(N4CCC(C)CC4)nc(C4CC4)n3)c(F)c2)CC1,YWQSSNIOMNBJOA-UHFFFAOYSA-N
rxn:4:215977:224017,CC1CCCN(c2cc(C(C)C)nc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)n2)C1,BEJOWQOEIAUCBK-UHFFFAOYSA-N
rxn:4:215980:223696,CC(C)c1cc(N2CCCCC2C)nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,XIYJZFAQNDMAHN-UHFFFAOYSA-N
rxn:4:216089:223602,COC(=O)C1CCn2c(nnc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)C1,IAWGPFFIOQMMDX-UHFFFAOYSA-N
rxn:4:216146:224406,CN(C)S(=O)(=O)c1c(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc2n1CCOC2,JGQFPXBIVGUJOE-UHFFFAOYSA-N
rxn:4:216252:225094,CCCOc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc(Cl)c1OCC,ZNWKDWQSRXINMK-UHFFFAOYSA-N
rxn:4:216252:225111,COc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c(F)c1OCC(C)C,BYXFRGQOAVBTAH-UHFFFAOYSA-N
rxn:4:216294:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc4c(c3)OCCn3cc(N5C(=O)OC[C@H]5C(F)F)nc3-4)cc2)CC1,KUGCTBBYTVHOSH-QFIPXVFZSA-N
rxn:4:216294:225352,CC(=O)Oc1ccc(-c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)F)nc2-3)cc1C(F)(F)F,QHTLMXXOBNKUSU-KRWDZBQOSA-N
rxn:4:216565:223482,CC(C)n1nncc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,DGJDXBCASQQMBC-UHFFFAOYSA-N
rxn:4:216906:223533,Cn1nc(C2CCC2)nc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,DYKUCJROFXMXBW-UHFFFAOYSA-N
rxn:4:217098:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnnn1C1CCCCC1,CIQONPSBERTGKR-UHFFFAOYSA-N
rxn:4:217123:223687,CN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)o2)CC1,KQKCICGHLCYSIE-UHFFFAOYSA-N
rxn:4:217145:223697,Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cnc1N1CCOCC1,LSKUUWOEVWCHIB-UHFFFAOYSA-N
rxn:4:217907:224282,CN1CCC2(CC1)Oc1ccc(-c3ccc(S(=O)(=O)N(C)C)c4ccccc34)cc1C1CC(c3ccc(Cl)cc3)=NN12,WYMXRWZXJIIHOV-UHFFFAOYSA-N
rxn:4:218187:223492,Cc1cc(-c2nnn3c2CCC3)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GAJWUPVLTXKVLT-UHFFFAOYSA-N
rxn:4:218471:223592,CN1CCn2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc2C1=O,MQNFYGLYQXGRMJ-UHFFFAOYSA-N
rxn:4:218471:223606,CN1CCn2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2C1=O,NODKKSQALUAFTJ-UHFFFAOYSA-N
rxn:4:218521:223505,CN1Cc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nn2CS1(=O)=O,ZSKBRVSCQNULLJ-UHFFFAOYSA-N
rxn:4:218521:223693,CN1Cc2cc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)nn2CS1(=O)=O,QMUQZWYOMRCVSD-UHFFFAOYSA-N
rxn:4:218755:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)cc1Cl,OQBSFEHUALOUQB-UHFFFAOYSA-N
rxn:4:218778:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(Cl)cc2c1nc(N1CC3(CN(C(=O)OC(C)(C)C)C3)C1)n2Cc1cc(C)c(F)c(C)c1,DJKJURFIDRTXIZ-UHFFFAOYSA-N
rxn:4:218834:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)cc2)CC1,QDPNJGWVTPQYHD-UHFFFAOYSA-N
rxn:4:218851:225287,CN(c1cnc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cn1)C1CN(C(=O)OC(C)(C)C)C1,KPOCXOKUPKFUNN-UHFFFAOYSA-N
rxn:4:218965:223595,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VLEILFSSXPBDHJ-UHFFFAOYSA-N
rxn:4:218992:225986,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccccc4N4CCCS4(=O)=O)cn3)C2)CC1,DOGDKOUSBFZFJS-UHFFFAOYSA-N
rxn:4:218992:225987,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(N5CCCS5(=O)=O)cc4)cn3)C2)CC1,POQOOFWYKPPIOS-UHFFFAOYSA-N
rxn:4:218992:229064,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccnn4C4CC4)cn3)C2)CC1,PNAYSALEZYJHTG-UHFFFAOYSA-N
rxn:4:219028:223777,CC1CN(C(=O)c2cnn(C)c2-c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OC(C)(C)C,CZIYAXBOFGFRDM-UHFFFAOYSA-N
rxn:4:219047:222630,COc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,ZBOIUMOFLPPJLY-UHFFFAOYSA-N
rxn:4:219051:223526,CN(c1cnc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,XNENELWYQRJYFL-UHFFFAOYSA-N
rxn:4:219053:223573,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)cn2)CC1,CQRGDTNNRSFJJQ-UHFFFAOYSA-N
rxn:4:219135:222583,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(C(=O)NCCN6CCOCC6)cc5)c4)C3C2=O)cc1,GUMHFCATLFEFSZ-UHFFFAOYSA-N
rxn:4:219135:222713,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OC)ccc5S(=O)(=O)NC(C)(C)C)c4)C3C2=O)cc1,DEAZYRDIAZMXTF-UHFFFAOYSA-N
rxn:4:219135:223179,CONC(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)ccc1F,KCFYYPYUEWJQHH-UHFFFAOYSA-N
rxn:4:219135:224733,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC(F)F)c(OC6CCC6)c5)c4)C3C2=O)cc1,DXHCGFDCGPLBCZ-UHFFFAOYSA-N
rxn:4:219135:224877,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(COC6CCCCC6)cc5)c4)C3C2=O)cc1,PFYSIMSXRRHQNN-UHFFFAOYSA-N
rxn:4:219136:223101,CNS(=O)(=O)c1cc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)ccc1OC,OCQXKZZKPNPRBW-UHFFFAOYSA-N
rxn:4:219221:223926,CC(C)(C)C(=O)Cn1nc([N+](=O)[O-])nc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1,GLURKHCRTDFNQM-UHFFFAOYSA-N
rxn:4:219370:226715,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cnn(C(=O)OC(C)(C)C)c3)n2)C1,IBVOSOVVVKZIHC-UHFFFAOYSA-N
rxn:4:219371:224817,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccccc2S(=O)(=O)N2CCOCC2)CC1,JLXOUVDODLCQPR-UHFFFAOYSA-N
rxn:4:219372:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nn[nH]c1C1CCN(C(=O)OC(C)(C)C)CC1,BTERCFPEXFXZNS-UHFFFAOYSA-N
rxn:4:219372:223939,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,NRXNPLMMZWJDAW-UHFFFAOYSA-N
rxn:4:219372:225597,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OC3CCCCC3)nc2)CC1,DWGUBMHAQRVXCN-UHFFFAOYSA-N
rxn:4:219374:223929,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nn2)CC1,ZMNBHQCCPLOOGZ-UHFFFAOYSA-N
rxn:4:219375:226652,Cc1cc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)n(C2CCCCO2)n1,CERYXLCUBNPEOF-UHFFFAOYSA-N
rxn:4:219401:225665,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3N3CCCCC3)s2)CC1,QJPTXPSXCLCEKJ-UHFFFAOYSA-N
rxn:4:219403:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,MQHISWVFMHTTCG-UHFFFAOYSA-N
rxn:4:219404:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,BROQFHPSGNZCPO-UHFFFAOYSA-N
rxn:4:219410:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(OC2CCN(S(=O)(=O)N3CCOCC3)C2)nc1,JPTOGRJOBBSEHR-UHFFFAOYSA-N
rxn:4:219452:226718,COc1nc(OC)c(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1SC,SJDDNCDOLFJRMK-UHFFFAOYSA-N
rxn:4:219452:227766,CCn1nc(C(F)(F)F)cc1-c1nc(C)nn1C1CCN(C(=O)OC(C)(C)C)CC1,JEJFGOBRDVDDPI-UHFFFAOYSA-N
rxn:4:219454:223055,Cc1nc(N2CCNCC2)ccc1-c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C,QTYWTJDBOBWMQU-UHFFFAOYSA-N
rxn:4:219456:227684,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2cnn(CC3OCCO3)c2)n1,OQSCUYDQWSPVSX-UHFFFAOYSA-N
rxn:4:219462:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,WHNXXPOMCIXVCB-UHFFFAOYSA-N
rxn:4:219463:223660,Cc1cc(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cn3)CC2)ccn1,NMJWCVGDEDJMRC-UHFFFAOYSA-N
rxn:4:219487:225634,Cc1cc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cnc1N1CCCCC1,TWRXESPOGCUUDS-UHFFFAOYSA-N
rxn:4:219489:223084,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(O)CC2)nc1,PBCWSBFXXKPCGM-UHFFFAOYSA-N
rxn:4:219489:223531,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,XAJHFCSWFGNUKL-UHFFFAOYSA-N
rxn:4:219508:224834,Cc1nc(N2CCN(C(=O)c3ccccc3-c3cn(S(=O)(=O)N(C)C)nc3C(F)(F)F)CC2)cc(C(F)(F)F)n1,XZZTWORUOHWSDU-UHFFFAOYSA-N
rxn:4:219523:223997,Cc1cc(-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,PZMQOJPQXFEYTE-UHFFFAOYSA-N
rxn:4:219551:227413,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCC5)cc4F)cn3)CC2)C1=O,YREBXGSINJEBQJ-UHFFFAOYSA-N
rxn:4:219653:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2)CC1,UQZBSCZKHQIFLA-UHFFFAOYSA-N
rxn:4:219687:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(Cl)c1,UBLXSRGLESAIHU-UHFFFAOYSA-N
rxn:4:219688:224158,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc5c(ccn5C(=O)OC(C)(C)C)c4)cn3n2)CC1,JDUZJKAJPCNORE-UHFFFAOYSA-N
rxn:4:219689:225312,CN1CCCN(c2ncc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)cn2)CC1,INPKTEUNJTXAAH-UHFFFAOYSA-N
rxn:4:219780:226896,COCn1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(C(F)(F)F)n1,OORILARDOKEEPY-UHFFFAOYSA-N
rxn:4:219780:229269,CCn1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)n1,JVFYGHUGQXGBGQ-UHFFFAOYSA-N
rxn:4:219817:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc(C(F)(F)c4ncc(C(F)(F)F)cc4Cl)n[nH]3)cc2)CC1,NTJDKHQBSSVIGA-UHFFFAOYSA-N
rxn:4:219880:224017,CSc1ncc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c(N2CCN(S(C)(=O)=O)CC2)n1,KVCAFXDQIFSCEH-UHFFFAOYSA-N
rxn:4:219880:224416,CSc1ncc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)c(N2CCN(S(C)(=O)=O)CC2)n1,IRMVHSLNQUCIDB-UHFFFAOYSA-N
rxn:4:219998:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,NNMGNRNZQFLTSS-UHFFFAOYSA-N
rxn:4:220038:224817,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccccc2S(=O)(=O)N2CCOCC2)C1,ZSDYSKDVGNELAY-UHFFFAOYSA-N
rxn:4:220070:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1nc2n(n1)CCCN(C(=O)OC(C)(C)C)C2,GPYYMHOHRJZIBW-UHFFFAOYSA-N
rxn:4:220070:223697,CC(C)(C)OC(=O)N1CCCn2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)nc2C1,RWWXLSRUHZWCQM-UHFFFAOYSA-N
rxn:4:220070:224741,COc1cc(C2OCCO2)cc(OC)c1-c1nc2n(n1)CCCN(C(=O)OC(C)(C)C)C2,WSMHVKRRNZUFCD-UHFFFAOYSA-N
rxn:4:220136:223993,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1S(=O)(=O)N1CCN(C)CC1,YQWLHQBLNDPLDS-UHFFFAOYSA-N
rxn:4:220161:224290,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(Cl)cc5OCCN5CCOCC5)c(C)c4)C3C2=O)c1,HDBUHGIHJNSIIX-UHFFFAOYSA-N
rxn:4:220421:223588,Cc1cc(-c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,RBJJTHIIQAQMKY-UHFFFAOYSA-N
rxn:4:220426:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCOCC2)nc1N1CCOCC1,LKHSGMFJYIPGMB-UHFFFAOYSA-N
rxn:4:220815:223823,CN1CCN(c2ncncc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,XWSKZQYAEJCLNW-UHFFFAOYSA-N
rxn:4:220893:222426,CC(=O)N1CCn2nc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)nc2C1,ZFTYAPKOUNEWQV-UHFFFAOYSA-N
rxn:4:221114:227403,CCOc1ccc(-c2ccc(N3CCCCC3)s2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XFISRAJERRGKRR-UHFFFAOYSA-N
rxn:4:221182:229088,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc(C(C)=O)cs4)cn3)CC2)C1=O,PSOPXTAOCASVJK-UHFFFAOYSA-N
rxn:4:221186:223810,Cc1cc(-c2cnc(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,OUMLQDZACXYGFI-UHFFFAOYSA-N
rxn:4:221208:223506,Cc1cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,FNAHQGBBZRBGOE-UHFFFAOYSA-N
rxn:4:221249:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)cc2)CC1,ZZUAPGBXFCSIMZ-UHFFFAOYSA-N
rxn:4:221431:224752,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCC4)cc3C)CC2)n1,VZSXNTAQQMJSKH-UHFFFAOYSA-N
rxn:4:221614:224283,COCn1nc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nc1N1CCCN(C)CC1,BBZQNBWHXKNDRE-UHFFFAOYSA-N
rxn:4:221723:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc12,AGFWQCUFNHHTDO-UHFFFAOYSA-N
rxn:4:221730:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)nc1,ULFRBRMYVXVZCZ-UHFFFAOYSA-N
rxn:4:221749:223790,Cc1cn2c3c(=O)n(Cc4ccc(-c5cncc(C6CCCN6C(=O)OC(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1C(C)C,QZPNZRVBDYQVDA-UHFFFAOYSA-N
rxn:4:221953:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)C4)c3)cc2)CC1,MLQNFTDLLPSJCZ-IWJLFLQVSA-N
rxn:4:221971:224569,Fc1cc(OCC2CCCCC2)cc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)c1,RRECEFGNTHAXQF-UHFFFAOYSA-N
rxn:4:221983:228653,Cc1cc(C)n2c(-c3cnn4c3CCCC4)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,RMSGTYSTTPOYNL-UHFFFAOYSA-N
rxn:4:221995:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cc2)CC1,NEUNBBLHGJXIQX-UNWRIRMBSA-N
rxn:4:222009:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c2)CC1,ACPRAXJDVDDUOF-UHFFFAOYSA-N
rxn:4:222056:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2F)CC1,MGDPTVYCUKZAOS-UHFFFAOYSA-N
rxn:4:222060:223597,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)CC3)nn2)c(C)c1C,JMMIDMXYSUPABK-UHFFFAOYSA-N
rxn:4:222097:222537,Cc1cn2nc(OCC3CCN(c4ncc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cn4)CC3)ccc2n1,DJKGUWBZIWXPEX-UHFFFAOYSA-N
rxn:4:222124:222982,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccc(CN6CC[C@@H](O)C6)cc5)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,DTMWBYPYYBJRBV-WWUHRCHBSA-N
rxn:4:222337:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)nc3)cc2)CC1,ILPCTRQSLSTTRY-UHFFFAOYSA-N
rxn:4:222389:216207,COc1nccc2c1c(-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)nn2C1CCCCO1,JRYAYNNZQBXXJA-UHFFFAOYSA-N
rxn:4:222393:214054,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,QRIZAJOWTPNHBQ-RZFKFIIISA-N
rxn:4:222522:217872,COc1ccc(-c2cc3nnn(C4CCCCC4)c3c(F)c2F)cc1S(=O)(=O)N1CCC(O)CC1,HLWYUGSRLUENKI-UHFFFAOYSA-N
rxn:4:223540:188331,CCOC(=O)c1oc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)nc1C,AQLRAEWGDVBIPH-UHFFFAOYSA-N
rxn:4:223590:217092,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ncn(C2CCCCC2)n1,DSINVNIXZDCQAA-UHFFFAOYSA-N
rxn:4:223900:206938,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1F,UTJNZCNVAPHHTN-UHFFFAOYSA-N
rxn:5:177447:225499:223010,COc1cc(-c2ccc(C3CCCCC3)cc2F)cc(-c2ccc(C3(O)CCOCC3)cc2)c1OC(C)C,JJELGXNCSFLBPD-UHFFFAOYSA-N
rxn:5:177738:226145:226027,COc1cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(-c2ccc(OC3CCCC3)cc2)cc1OC1CCC1,TVCGORWKAPCTDL-UHFFFAOYSA-N
rxn:5:177850:223202:225394,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,IIGPRZJFQUPURW-UHFFFAOYSA-N
rxn:5:177850:226836:228345,CCOc1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c(C2OCCO2)c1-c1cc(C)sc1C(=O)OC,PLHTVGJQWRFHOO-UHFFFAOYSA-N
rxn:5:177851:223010:225809,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,RAEPFBUNQJYQRR-UHFFFAOYSA-N
rxn:5:177851:226589:226778,CCOc1c(-c2cc(C(F)F)ncc2C(C)C)cc(C2OCCO2)cc1-c1cc(OC)c(OC)c(F)c1F,OMFWDKGKECWZCF-UHFFFAOYSA-N
rxn:5:177891:226185:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccc(C2CCOCC2)cc1,NUHQBBDOXGHXMF-UHFFFAOYSA-N
rxn:5:177891:226432:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccc(C2CCCC2)nc1F,DBKKEGIQYFOSFC-UHFFFAOYSA-N
rxn:5:177891:226900:228258,COc1c(F)ccc(C)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,YJPZMPDIAMKOOH-UHFFFAOYSA-N
rxn:5:177891:226900:228971,O=C(SC1CS(=O)(=O)CC1c1csc(C(F)(F)F)c1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,ROEXIBDXUSASKB-UHFFFAOYSA-N
rxn:5:177891:226901:227670,CC(F)(F)c1cc(F)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,OKPHUOLLHPAFJK-UHFFFAOYSA-N
rxn:5:177891:226901:228970,O=C(SC1CS(=O)(=O)CC1c1ccc(C(F)(F)F)s1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,MIFOJBAVKZPJJQ-UHFFFAOYSA-N
rxn:5:177891:227679:226739,CC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-],BVPVSULULKRGHW-UHFFFAOYSA-N
rxn:5:177891:228703:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cnn(C2CCC2)c1,JSGFMEUZELBVAP-UHFFFAOYSA-N
rxn:5:178118:227540:225448,COc1c(F)cc(SC)cc1-c1ccc(-c2cc(C)ccc2OC2CCCC2)cc1OCC1CCCCO1,HFMMNLGFVJNIMD-UHFFFAOYSA-N
rxn:5:178122:225448:227592,COc1cc(F)cc(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2COC2CCCCO2)c1OC,GPRZXOUDWSHFMG-UHFFFAOYSA-N
rxn:5:178122:225453:227592,COc1cc(F)cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c1OC,RIKBIMDLFFNECN-UHFFFAOYSA-N
rxn:5:178122:225514:227350,COc1cc(C)cc(OC)c1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ccc1COC1CCCCO1,VNVWGONPQSQLMS-UHFFFAOYSA-N
rxn:5:178122:226464:225499,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(C4CCCCC4)cc3F)c1)OCCO2,BOTZUTLIVGRXOL-UHFFFAOYSA-N
rxn:5:178122:227361:225499,COc1cc(-c2ccc(COC3CCCCO3)c(-c3ccc(C4CCCCC4)cc3F)c2)c(OC)cc1C,VIMVNUPYELAALM-UHFFFAOYSA-N
rxn:5:178122:227587:225446,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cc(C)cc(OC4CCCC4)c3)c2)cc(F)c1OC,BZAWXIICKMDCDW-UHFFFAOYSA-N
rxn:5:178122:227592:223010,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)c1OC,IKIILTDDYDOICF-UHFFFAOYSA-N
rxn:5:178122:227592:225446,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3cc(C)cc(OC4CCCC4)c3)c2)c1OC,MZDXJYRVWVHSBF-UHFFFAOYSA-N
rxn:5:178224:226382:227766,CCn1nc(C(F)(F)F)cc1-c1cc(OCC2CCCCC2)cc(-c2cnc(C3CCCCC3)nc2)c1,ZKOUIKYYDDVZGX-UHFFFAOYSA-N
rxn:5:178225:225809:227348,COc1ccc(-c2c(OCC3CCCCC3)cccc2-c2cc(F)ccc2OC2CCOC2)c(C)c1OC,IJDQRJZWKXEWIB-UHFFFAOYSA-N
rxn:5:178225:226027:223283,CNc1ccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-],KWDXGRFFIVIFCI-UHFFFAOYSA-N
rxn:5:178226:225394:227574,COc1c(F)ccc(-c2cccc(OCC3CCCCC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,AFMIIDLKFOPKSI-UHFFFAOYSA-N
rxn:5:178295:223389:228454,COC(=O)C1(c2cc(-c3cc(OC)nnc3OC)ccc2-c2c(C)n[nH]c2C(F)(F)F)CCC(=O)CC1,HMMNAHBYFSKFAR-UHFFFAOYSA-N
rxn:5:178295:229049:225794,COC(=O)C1(c2cc(-c3cnc(OC4CCCCC4)nc3)ccc2-c2cnc3n2CCC3)CCC(=O)CC1,HVJUBPCUIFKYCX-UHFFFAOYSA-N
rxn:5:178313:223203:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(C2(O)CCC2)c1,DZOZRELNHMYFIQ-UHFFFAOYSA-N
rxn:5:178314:225498:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1O[Si](C)(C)C(C)(C)C,LJUSESHEPWNUHF-UHFFFAOYSA-N
rxn:5:178353:225446:225407,Cc1cc(OC2CCCC2)cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc(C5CCCCCC5)cc4)c(C)c3)cc2C)c1,CVYVWSCMIZXAIM-UHFFFAOYSA-N
rxn:5:179629:225452:225448,COc1ccc(-c2ccc(OC3C=CCCC3)cc2)c(S(C)(=O)=O)c1-c1cc(C)ccc1OC1CCCC1,LBXWLJGCRFITLV-UHFFFAOYSA-N
rxn:5:180020:227766:226652,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(C)nn2C2CCCCO2)ccc1OC1CCCC1=O,FUGRFHWPAYPXRL-UHFFFAOYSA-N
rxn:5:180021:223010:223148,COc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccccc1C1CNCCO1,PLISZGIDCAHQIF-UHFFFAOYSA-N
rxn:5:180021:225407:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(C4CCCCCC4)cc3)c1OC)OCCO2,YWZYIKAQGHBMLE-UHFFFAOYSA-N
rxn:5:180021:225446:226027,COc1c(-c2cc(C)cc(OC3CCCC3)c2)cc(C2OCCO2)cc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,GLYZFRRSUAKCLP-UHFFFAOYSA-N
rxn:5:180021:225449:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(OC4CCCCC4)c3)c1OC)OCCO2,ZCTKMSDOSPZELW-UHFFFAOYSA-N
rxn:5:180021:225451:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(SC4CCCCC4)cc3)c1OC)OCCO2,IBOPSNMQXWBQMI-UHFFFAOYSA-N
rxn:5:180021:225453:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(SC4CCCCC4)c3)c1OC)OCCO2,UBFAMDGJKUPWLS-UHFFFAOYSA-N
rxn:5:180021:225625:225809,COc1c(-c2cc(OC3CCCC3)ccc2F)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,YPWHANUHCZWPKW-UHFFFAOYSA-N
rxn:5:180022:222983:226464,COc1ccc2c(c1-c1ccc(-c3cccc(CN4CCC(O)C4)c3)c(C3OCCO3)c1OC)OCCO2,ZWWZYSFELUJKQB-UHFFFAOYSA-N
rxn:5:180022:222984:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CCC(O)C4)cc3)c(C3OCCO3)c1OC)OCCO2,VWEQJDIPXJWZME-UHFFFAOYSA-N
rxn:5:180022:222991:226794,COc1c(-c2cnc(N3CCSCC3)nc2)ccc(-c2ccc(N3CCCC(O)C3)cc2)c1C1OCCO1,OUVPBEYGWFYFCK-UHFFFAOYSA-N
rxn:5:180022:223010:225448,COc1c(-c2cc(C)ccc2OC2CCCC2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,MWKIUQPMOUBGDK-UHFFFAOYSA-N
rxn:5:180022:223010:225884,COc1c(-c2ccc(C3COCCO3)c(F)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,WWEPOCBOSXUCGW-UHFFFAOYSA-N
rxn:5:180022:225407:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCCCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,RRNYOFWEPKENIW-UHFFFAOYSA-N
rxn:5:180022:225435:226464,COc1ccc2c(c1-c1ccc(-c3ccccc3CN3CCCCC3)c(C3OCCO3)c1OC)OCCO2,RBTWZWIEVCSBME-UHFFFAOYSA-N
rxn:5:180022:225445:226464,COc1ccc2c(c1-c1ccc(-c3ccccc3OC3CCCCC3)c(C3OCCO3)c1OC)OCCO2,PJSGJVRBINMEBH-UHFFFAOYSA-N
rxn:5:180022:225447:226464,COc1ccc2c(c1-c1ccc(-c3ccc(OC4CCCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,PNHMZLUDRWFNRA-UHFFFAOYSA-N
rxn:5:180022:225449:226464,COc1ccc2c(c1-c1ccc(-c3cccc(OC4CCCCC4)c3)c(C3OCCO3)c1OC)OCCO2,PUABCLFLPCCNEK-UHFFFAOYSA-N
rxn:5:180022:225451:226464,COc1ccc2c(c1-c1ccc(-c3ccc(SC4CCCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,PHDCAGYQPGEQOX-UHFFFAOYSA-N
rxn:5:180022:225453:226464,COc1ccc2c(c1-c1ccc(-c3cccc(SC4CCCCC4)c3)c(C3OCCO3)c1OC)OCCO2,UXCNKYRGAKHUQK-UHFFFAOYSA-N
rxn:5:180022:225462:226464,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCC(C)CC4)c3)c(C3OCCO3)c1OC)OCCO2,AIBLZLBODKRHCY-UHFFFAOYSA-N
rxn:5:180022:225470:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(C)CC4)cc3)c(C3OCCO3)c1OC)OCCO2,NOVCVTCEJOSXRJ-UHFFFAOYSA-N
rxn:5:180022:225514:225514,COc1c(-c2cccc3c2OCC2(CC2)CO3)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,DLTLDFWRZPEIPL-UHFFFAOYSA-N
rxn:5:180022:225514:226174,COc1c(-c2ccc(C3CCCCC3)nc2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,BRYILZLQJOLFSS-UHFFFAOYSA-N
rxn:5:180022:225621:226464,COc1ccc2c(c1-c1ccc(-c3ccc(OC4CCOC4)c(C)c3)c(C3OCCO3)c1OC)OCCO2,IVAGIJKJJHSYBJ-UHFFFAOYSA-N
rxn:5:180022:225622:226464,COc1ccc2c(c1-c1ccc(-c3ccccc3OC3CCCCO3)c(C3OCCO3)c1OC)OCCO2,QELCGSVPENSCIP-UHFFFAOYSA-N
rxn:5:180022:225623:226464,COc1ccc2c(c1-c1ccc(-c3cccc(OC4CCOCC4)c3)c(C3OCCO3)c1OC)OCCO2,MIPSCAGWPHQRSB-UHFFFAOYSA-N
rxn:5:180022:225625:226464,COc1ccc2c(c1-c1ccc(-c3cc(OC4CCCC4)ccc3F)c(C3OCCO3)c1OC)OCCO2,SUPCLZCHZVWXCD-UHFFFAOYSA-N
rxn:5:180022:225671:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2cc(C3CCCCC3)ncc2F)c1C1OCCO1,KWISMZJUPGEUNT-UHFFFAOYSA-N
rxn:5:180022:225809:226464,COc1ccc2c(c1-c1ccc(-c3cc(F)ccc3OC3CCOC3)c(C3OCCO3)c1OC)OCCO2,YLSOSJNNBDYWTK-UHFFFAOYSA-N
rxn:5:180022:225881:225671,COc1c(-c2cc(C3CCCCC3)ncc2F)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,INNIILWDHUZBMY-UHFFFAOYSA-N
rxn:5:180022:225884:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4COCCO4)c(F)c3)c(C3OCCO3)c1OC)OCCO2,NKMFAMHCZGTUTC-UHFFFAOYSA-N
rxn:5:180095:225446:226027,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c(OC3CCCC3)c2)c1,IULGRPUMZUJPOB-UHFFFAOYSA-N
rxn:5:180095:226040:226027,Cc1c(-c2ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c(OC3CCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HYAIBBJLQYVYIY-UHFFFAOYSA-N
rxn:5:180297:226855:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C2(C)OCCO2)c(-c2cnc(OC)cc2C(F)(F)F)cc1OC,BOWMOPJDOZCKKA-UHFFFAOYSA-N
rxn:5:180506:226778:223389,COc1cc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2c(C)n[nH]c2C(F)(F)F)c(F)c(F)c1OC,FGDZSRPCJVLPMC-UHFFFAOYSA-N
rxn:5:180506:228100:226881,CCCn1nc(C)c(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2c(F)c(F)c(OC)c(F)c2F)c1C,NAHATPDXZFXTBZ-UHFFFAOYSA-N
rxn:5:180662:226049:227680,COC(=O)C1=Cc2cc(-c3cccc4c3OC(F)(F)O4)cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2OC1,OAIJGUBPZUOUTF-UHFFFAOYSA-N
rxn:5:182010:223010:225515,CC1(C)COc2cccc(-c3ccc(C4CCOCC4)c(-c4ccc(C5(O)CCOCC5)cc4)c3)c2OC1,PWMYLUPBOSBDRK-UHFFFAOYSA-N
rxn:5:182013:225926:225987,O=S1(=O)CCCN1c1ccc(-c2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2C2CCOCC2)cc1,CBYMWVQVAGNYLH-UHFFFAOYSA-N
rxn:5:183216:225939:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cnc(C(F)(F)F)c(C(C)C)c2)cc2c1OC(C)(C)CC2=O,FZQKVAXPROQGIC-UHFFFAOYSA-N
rxn:5:183216:226049:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)cc2c1OC(C)(C)CC2=O,DATMMSMRTXMSSX-UHFFFAOYSA-N
rxn:5:183229:223010:225810,COc1ccc(-c2cc(-c3ccc(C4(O)CCOCC4)cc3)cc3c2SCCC3(C)C)c(C2OCCO2)c1,PQPFFAGKIZMMQM-UHFFFAOYSA-N
rxn:5:188447:227766:226837,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(C(=O)OC)c([N+](=O)[O-])c1,GGWZABNTSQIAFC-UHFFFAOYSA-N
rxn:5:188459:225616:226415,COC(=O)c1cc([N+](=O)[O-])c(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccccc1N1CCOCC1,IGCBPNFWMZAPSY-UHFFFAOYSA-N
rxn:5:188633:225980:226029,CCOc1c(F)c(F)c(-c2c(OC)ncc(-c3cc(N4CCOCC4)ncc3F)c2C(=O)OC)c(F)c1F,GFFBJDVPRYYOJC-UHFFFAOYSA-N
rxn:5:188932:223294:227804,COC(=O)c1cc(-c2csc(N3CCNCC3)n2)c(S(N)(=O)=O)c(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c1,KLOXRCDENQIIHR-UHFFFAOYSA-N
rxn:5:189207:223186:228345,COC(=O)c1sc(C)cc1-c1ccc(-c2cnn(C3CCCCO3)c2)cc1C(=O)ON1C(=O)CCC1=O,WOBXKGNPFIXOFC-UHFFFAOYSA-N
rxn:5:189207:223438:227279,CC(C)n1nc(C2CC2)cc1-c1ccc(-c2cn[nH]c2C(F)(F)F)cc1C(=O)ON1C(=O)CCC1=O,OJSXLMPTSIRXRU-UHFFFAOYSA-N
rxn:5:189207:225407:228895,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1,BOQXIMGSJGFRRA-UHFFFAOYSA-N
rxn:5:189207:226064:228149,COC(=O)c1ccccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,MVANWHBOGBRDAP-UHFFFAOYSA-N
rxn:5:189207:226069:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1cccc(N2CCOCC2=O)c1,ZVYIFIPGCDVDHX-UHFFFAOYSA-N
rxn:5:189207:226415:227920,CCC(=O)c1ccc(-c2ccc(-c3ccccc3N3CCOCC3)cc2C(=O)ON2C(=O)CCC2=O)cc1,QOJYPNCTYJZLNS-UHFFFAOYSA-N
rxn:5:189207:226452:228150,COC(=O)c1ccc(-c2ccc(-c3ccc(C4OCCCO4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,GYCAQLUDSNVGHA-UHFFFAOYSA-N
rxn:5:189207:226652:228779,COc1ccc(F)cc1-c1ccc(-c2cc(C)nn2C2CCCCO2)cc1C(=O)ON1C(=O)CCC1=O,BVHLDKAVLNIVMX-UHFFFAOYSA-N
rxn:5:189207:226738:228078,CC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)c(C(=O)ON3C(=O)CCC3=O)c2)c([N+](=O)[O-])c1,QVHBCRCWXUPPMQ-UHFFFAOYSA-N
rxn:5:189207:226980:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1cccc(C2CCOCC2)c1,PSMARZCFDLUOGJ-UHFFFAOYSA-N
rxn:5:189207:227680:226760,COC(=O)c1cc(-c2ccc(-c3cccc4c3OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)cc(F)c1F,ZBNKZBSMWKVSHN-UHFFFAOYSA-N
rxn:5:189207:228149:225453,COC(=O)c1ccccc1-c1ccc(-c2cccc(SC3CCCCC3)c2)c(C(=O)ON2C(=O)CCC2=O)c1,ZTSDHSCIWDJUDD-UHFFFAOYSA-N
rxn:5:189207:228349:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2cnn(C3CCOC3)c2)ccc1-c1ccc(C=C[N+](=O)[O-])cc1,OCCYEAHJSNBZDJ-UHFFFAOYSA-N
rxn:5:189208:225447:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(OC3CCCCC3)cc2)cc1-c1cccc2c1C(=O)CCC2,UBOCZNIBMFIQFO-UHFFFAOYSA-N
rxn:5:189208:225462:229091,CC(=O)c1occc1-c1cc(-c2cccc(N3CCC(C)CC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,HVDBWHKCVJYOMH-UHFFFAOYSA-N
rxn:5:189208:225623:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(OC3CCOCC3)c2)cc1-c1cccc2c1COC2=O,ORISSFFTRHNUOC-UHFFFAOYSA-N
rxn:5:189208:225672:229091,CC(=O)c1occc1-c1cc(-c2cc(F)nc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,YGMNPCYABYGKGI-UHFFFAOYSA-N
rxn:5:189208:225832:229204,CCc1sccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C(=O)ON1C(=O)CCC1=O,AXJDKYQKMHPHHE-UHFFFAOYSA-N
rxn:5:189208:225926:227203,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc2c(c1)OCCCO2,RSBBTASDEACKQR-UHFFFAOYSA-N
rxn:5:189208:225987:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1-c1ccccc1C(=O)N1CCC1,DGXCFPKVFPAKEF-UHFFFAOYSA-N
rxn:5:189208:226084:227875,O=C1CCCCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc5c4CCCO5)c3)cc21,UESCLCPPPMNFMW-UHFFFAOYSA-N
rxn:5:189208:226186:226319,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)cc1-c1ccc(C(=O)N2CCC2)cc1,GAORUJWAZGUCPL-UHFFFAOYSA-N
rxn:5:189208:226186:228490,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)cc1-c1cccc(S(=O)(=O)F)c1,BYLOGZNEWBFAER-UHFFFAOYSA-N
rxn:5:189208:226645:228872,COC(=O)c1sccc1-c1cc(-c2ccnc(N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RWHZJNNAUSBOJW-UHFFFAOYSA-N
rxn:5:189208:226899:228078,O=C1OCc2cc(-c3cc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3C(=O)ON3C(=O)CCC3=O)ccc21,FAAMVVNVRFTXLX-UHFFFAOYSA-N
rxn:5:189208:227386:228460,COc1ncnc(OC)c1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,GFTWJRKROYWRJA-UHFFFAOYSA-N
rxn:5:189208:227452:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3OCCO3)c2)cc1-c1cccc(C(=O)N2CCC2)c1,SSRAYBSFKAQPBA-UHFFFAOYSA-N
rxn:5:189208:228077:225445,O=C1OCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4OC4CCCCC4)c3)cc21,XACSZHTVWNTWFU-UHFFFAOYSA-N
rxn:5:189208:228077:226772,COC(=O)c1cc(F)c(-c2cc(-c3ccc4c(c3)C(=O)OC4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c1,IXUJWRCMXRQANU-UHFFFAOYSA-N
rxn:5:189208:228343:227103,COC(=O)c1sc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3sccc3C3CCCCC3)c2)cc1C,FFVNZRSSGOILJP-UHFFFAOYSA-N
rxn:5:189208:228346:226980,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc4c3C(=O)CCC4)c2)c(C)s1,YTCXBBKAJBFHIC-UHFFFAOYSA-N
rxn:5:189208:228493:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(F)c(F)c(F)c2F)ccc1C(=O)ON1C(=O)CCC1=O,WKZWWPJLQAZXMT-UHFFFAOYSA-N
rxn:5:189208:228603:225623,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(OC4CCOCC4)c3)c2)c1,HHSNCWOXVLLKDL-UHFFFAOYSA-N
rxn:5:189208:228870:226415,COC(=O)c1csc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3N3CCOCC3)c2)c1,DPYGMMOCTLYMCD-UHFFFAOYSA-N
rxn:5:189208:228894:225450,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1-c1ccc(C(=O)C2CCCC2)cc1,ROIKJVCWWBOXBA-UHFFFAOYSA-N
rxn:5:189209:225450:227207,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cccc3c2OCCC3=O)c1,HMMNLLAIJJPPPB-UHFFFAOYSA-N
rxn:5:189209:226084:228243,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)C(=O)CCCC4)c2)c1F,IYIBPPGECUHBSA-UHFFFAOYSA-N
rxn:5:189209:226415:227918,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(SC3CC3)cc2)cc(-c2ccccc2N2CCOCC2)c1,CVEIOYJFLBXVEK-UHFFFAOYSA-N
rxn:5:189209:227804:227829,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CCC2)cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c1,AIVRPRUSHUNKON-UHFFFAOYSA-N
rxn:5:189209:228066:226763,COC(=O)c1c(F)cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)OCCO4)c2)cc1F,DBSNASATQLMYEP-UHFFFAOYSA-N
rxn:5:189210:222994:228893,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCC(O)CC3)c2)cccc1-c1cccc([N+](=O)[O-])c1,NSKMBKLJDZGECN-UHFFFAOYSA-N
rxn:5:189210:225584:227992,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1ccc(C2COC2)cc1,QLNGMWFOXMMLGK-UHFFFAOYSA-N
rxn:5:189210:225870:229091,CC(=O)c1occc1-c1cccc(-c2cc(F)cc(N3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,CFZKDZQRDPEENU-UHFFFAOYSA-N
rxn:5:189210:225943:228601,CC(=O)c1ccccc1-c1cccc(-c2ccc(C(=O)N3CCOCC3)s2)c1C(=O)ON1C(=O)CCC1=O,PEOZGGVYZYFWHV-UHFFFAOYSA-N
rxn:5:189210:226185:227804,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],XQQXCBYGKDZSMX-UHFFFAOYSA-N
rxn:5:189210:227203:227542,COC(=O)c1cc(F)ccc1-c1cccc(-c2ccc3c(c2)OCCCO3)c1C(=O)ON1C(=O)CCC1=O,DBYZKGBGPDVKCG-UHFFFAOYSA-N
rxn:5:189210:228071:226769,COC(=O)c1cc(F)c(F)c(-c2cccc(-c3cccc4c3OCCO4)c2C(=O)ON2C(=O)CCC2=O)c1,RICYDTDXZNWJOI-UHFFFAOYSA-N
rxn:5:189210:228079:227804,O=C1OCc2c1cccc2-c1cccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])c1C(=O)ON1C(=O)CCC1=O,LPGXNRULLXSEGJ-UHFFFAOYSA-N
rxn:5:189211:225873:226164,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3=O)c2)c1-c1ccc(N2CCCCC2)cc1,NCKXDHCMBSVYQL-UHFFFAOYSA-N
rxn:5:189211:226064:228872,COC(=O)c1sccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C2CCCCC2)cc1,KTFCNGPXBBFVQX-UHFFFAOYSA-N
rxn:5:189211:226319:226452,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1ccc(C2OCCCO2)cc1,NGXPKXVGQXFSGJ-UHFFFAOYSA-N
rxn:5:189211:226915:226980,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCCC3)cc2)c1-c1cccc2c1C(=O)CCC2,NHKDXNUFUVVKGA-UHFFFAOYSA-N
rxn:5:189211:226915:227528,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCC3)cc2)cc1F,ADWPFTIGDZDGHY-UHFFFAOYSA-N
rxn:5:189211:226969:226464,COc1ccc2c(c1-c1c(C(=O)ON3C(=O)CCC3=O)cccc1-c1ccc3c(c1)CCCC3=O)OCCO2,NBQVYVAHUFSADJ-UHFFFAOYSA-N
rxn:5:189211:227044:226413,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)C3CC3)cc2)c1-c1cccc(N2CCOCC2)c1,SSYNIIQPROZELB-UHFFFAOYSA-N
rxn:5:189211:227082:227804,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCCC2)c1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],TWCPMUNGZTUZRC-UHFFFAOYSA-N
rxn:5:189211:227203:227532,CCOc1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCCO3)c(F)c1F,KZRIMTMNWIURNV-UHFFFAOYSA-N
rxn:5:189211:227203:227804,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OCCCO3)c1-c1cc([N+](=O)[O-])sc1[N+](=O)[O-],PSWDZMIIUZSZOJ-UHFFFAOYSA-N
rxn:5:189211:227206:227802,Cc1c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2c(F)c(F)c(F)c(F)c2F)ccc2c1COC2=O,GSDRZQMURZQVLB-UHFFFAOYSA-N
rxn:5:189211:227680:227679,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2OC(F)(F)O3)c1-c1ccc2c(c1)OC(F)(F)O2,FGHUNRGQYFKYQF-UHFFFAOYSA-N
rxn:5:189211:228245:226084,CC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)C(=O)CCCC3)cc1F,KPAPFVNOPWOQLN-UHFFFAOYSA-N
rxn:5:189212:225618:228603,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(OC3CCCCO3)c2)c1,VWQVKXVQJGCEOC-UHFFFAOYSA-N
rxn:5:189212:225873:229087,CC(=O)c1ccsc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccc(N2CCOCC2=O)c1,YIFXIGOMKKCSJT-UHFFFAOYSA-N
rxn:5:189212:226069:227095,O=C1CC(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cccc(C4CCCCC4)c3)cc2)C1,HHOWKDASEQTMQH-UHFFFAOYSA-N
rxn:5:189212:226084:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2ccc3c(c2)C(=O)CCCC3)c1,YWMKJXKYDANBGZ-UHFFFAOYSA-N
rxn:5:189212:226186:228150,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C2CCOCC2)cc1,KEBIEJBJSRKDHO-UHFFFAOYSA-N
rxn:5:189212:226186:228698,CCC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C2CCOCC2)s1,RTAQVEIXQIUPEI-UHFFFAOYSA-N
rxn:5:189212:226738:227824,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCC3)cc2)c([N+](=O)[O-])c1,RQLDZTIOAWGTAJ-UHFFFAOYSA-N
rxn:5:189212:226774:227205,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCCO3)c(-c2ccc(OC(F)=C(F)F)cc2)c1,LVCVWEFSSNHELX-UHFFFAOYSA-N
rxn:5:189212:226980:225623,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(OC3CCOCC3)c2)c(-c2cccc3c2C(=O)CCC3)c1,GZIXLUMZTRRGDF-UHFFFAOYSA-N
rxn:5:189212:226980:228211,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCCC3)cs2)c(-c2cccc3c2C(=O)CCC3)c1,XKWHGVVSJRXBNU-UHFFFAOYSA-N
rxn:5:189212:227048:225871,CC(C)C(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1,IGEHCASTFJBJRB-UHFFFAOYSA-N
rxn:5:189212:227059:226980,COc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2C(=O)CCC3)cc1C(C)C,GYAAHQAHNPKENG-UHFFFAOYSA-N
rxn:5:189212:227095:227679,O=C1CC(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc4c(c3)OC(F)(F)O4)cc2)C1,RKNZXOFIJFMQAD-UHFFFAOYSA-N
rxn:5:189212:227183:226332,CN1Cc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccccc3C(=O)N3CCC3)ccc2C1=O,YHACZUUSHDSTHG-UHFFFAOYSA-N
rxn:5:189212:227197:227501,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccc(C=C[N+](=O)[O-])cc3)cc2C1=O,PRBXGGXOCMVWEQ-UHFFFAOYSA-N
rxn:5:189212:227452:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2cccc(C3OCCO3)c2)c1,QYCMUWFZTOYUQE-UHFFFAOYSA-N
rxn:5:189212:227505:225584,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)c(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1,QQOGVMXYQHEPQF-OBGWFSINSA-N
rxn:5:189212:227690:226415,COc1cc([N+](=O)[O-])ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccccc1N1CCOCC1,RFCGZWSMUBWERJ-UHFFFAOYSA-N
rxn:5:189212:227868:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCC3)c1,RPSHKBXYQXOHOF-UHFFFAOYSA-N
rxn:5:189212:228002:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2sccc2C2CCCC2)c1,GRSMSJRDTCJLKE-FYWRMAATSA-N
rxn:5:189212:228077:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc2c(c1)C(=O)OC2,HOTDIGDETDNEOD-UHFFFAOYSA-N
rxn:5:189212:228077:226141,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2OC2CCCC2)c(-c2ccc3c(c2)C(=O)OC3)c1,UVHOMOAHRIJZGB-UHFFFAOYSA-N
rxn:5:189212:228174:227119,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCCCC3)cs2)cc1,WASKMOHWRFAWQN-UHFFFAOYSA-N
rxn:5:189669:226837:228194,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(/C=N/S(=O)C(C)(C)C)cc1-c1c(C)nn(C(C)C)c1C,JLQKKECSTQZLFA-VVEOGCPPSA-N
rxn:5:189778:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(CCN3CCCC3)c1)OCCO2,KIHNYOPPFAXCOA-UHFFFAOYSA-N
rxn:5:189826:226899:226899,O=C(Cc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1,GMOGOKIKQTZLCX-UHFFFAOYSA-N
rxn:5:189826:228174:225871,CC(=O)Oc1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2CC(=O)N2CCOCC2)cc1,DLQROLYJZMQSRK-UHFFFAOYSA-N
rxn:5:189827:225871:227095,O=C1CC(c2ccc(-c3ccc(CC(=O)N4CCOCC4)cc3-c3cccc(N4C(=O)C=CC4=O)c3)cc2)C1,JJTAXCUBSDTMMZ-UHFFFAOYSA-N
rxn:5:189829:223389:226837,COc1c(-c2c(C)n[nH]c2C(F)(F)F)cc(C(=O)N2CCCC2)cc1-c1c(C)nn(CC(F)(F)F)c1C,TUVVNDRTCPOIHR-UHFFFAOYSA-N
rxn:5:189829:228340:226837,COc1nc(C2CC2)sc1-c1cc(C(=O)N2CCCC2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,RAEJNZKJSXSHJD-UHFFFAOYSA-N
rxn:5:189908:227513:226837,COc1nc(OC)c(-c2cnc(-c3c(C)nn(CC(F)(F)F)c3C)c(OCC3CCCCC3)c2)cc1C,FNGNVRTUABQKNX-UHFFFAOYSA-N
rxn:5:190001:225946:228066,CC(=O)c1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1,JVGMZXIJBOAAHT-UHFFFAOYSA-N
rxn:5:190097:225794:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cnc(OC3CCCCC3)nc2)cc1CCN1CCCCC1,MGHFIRHEEYTSPY-UHFFFAOYSA-N
rxn:5:190097:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(CCN3CCCCC3)c1)OCCO2,OECLDOOQHDIFBI-UHFFFAOYSA-N
rxn:5:190131:226783:227205,COc1cc(F)c(F)c(OC)c1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc3c2OCCCO3)c1OC,IOHAQYHSDVEICC-UHFFFAOYSA-N
rxn:5:190194:223010:223010,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,WXXNUDSKHKINPS-UHFFFAOYSA-N
rxn:5:190194:223010:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,TZZUDMAZIIZBRX-UHFFFAOYSA-N
rxn:5:190194:223010:227205,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2cccc3c2OCCCO3)CC1,ZPLAJGTZDPQTRD-UHFFFAOYSA-N
rxn:5:190194:223010:228066,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2ccc3c(c2)OCCO3)CC1,AERKJFYNICRKPS-UHFFFAOYSA-N
rxn:5:190194:226054:228653,COC1CCN(Cc2cccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)c2-c2cnn3c2CCCC3)CC1,GNWKSSSDLKNLEY-UHFFFAOYSA-N
rxn:5:190194:227203:223010,COC1CCN(Cc2cccc(-c3ccc4c(c3)OCCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,TWJBRNNBNQGTQT-UHFFFAOYSA-N
rxn:5:190194:227976:225514,COC1CCN(Cc2cccc(-c3ccc([Si](C)(C)C)cc3)c2-c2cccc3c2OCC2(CC2)CO3)CC1,VGNITOGIAOVZOH-UHFFFAOYSA-N
rxn:5:190264:226900:228703,CC1CCN(C(=O)Cc2ccc(-c3cnn(C4CCC4)c3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)CC1,OSAZIOMIHWTREB-UHFFFAOYSA-N
rxn:5:190308:226464:226971,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)c(CCN3CCCC(C)C3)c1)OCCO2,ZUAFCRYKZJUIKY-UHFFFAOYSA-N
rxn:5:190308:226971:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)cc1CCN1CCCC(C)C1)OCCO2,SFEVUQMVVMZDQI-UHFFFAOYSA-N
rxn:5:190309:226464:226971,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCOC4)c(CCN3CCCCC3C)c1)OCCO2,IMIASDVGHQLAGT-UHFFFAOYSA-N
rxn:5:190833:227390:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2ccnn2C2CCCCC2)c2c1CN(C(=O)OC(C)(C)C)C2=O,AJHMFKRFLMUIDL-UHFFFAOYSA-N
rxn:5:190833:229256:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)noc2C)c2c1CN(C(=O)OC(C)(C)C)C2=O,DKKFYPMCYLSZLC-UHFFFAOYSA-N
rxn:5:190859:226654:228653,CC1CCN(c2nc(-c3ccc4c(c3-c3cnn5c3CCCC5)CCN4C(=O)OC(C)(C)C)cs2)CC1,WHTFZQAWRVMEBK-UHFFFAOYSA-N
rxn:5:192880:226027:226040,Cc1c(-c2c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)ccnc2OC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],CRLPWPYGMKPSHM-UHFFFAOYSA-N
rxn:5:192880:226040:226027,Cc1c(-c2ccnc(OC3CCCC3)c2-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],SEMMWBPTYCUODD-UHFFFAOYSA-N
rxn:5:193046:226836:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cn(C(C)C)nc2C(F)(F)F)cc(C(C)(C)C)cc1[N+](=O)[O-],FAQBTAHJYSMTLR-UHFFFAOYSA-N
rxn:5:193050:226900:225986,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccccc1N1CCCS1(=O)=O)N1CCCC1,LBMYCOSCJSUNLA-UHFFFAOYSA-N
rxn:5:193051:225407:226901,O=C1CCCN1Cc1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1cccc(S(F)(F)(F)(F)F)c1,OJYXLYBOUNRJRT-UHFFFAOYSA-N
rxn:5:193229:227506:225986,O=C(c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,MUVCOIIKIOGHTR-WYMLVPIESA-N
rxn:5:193331:222991:226464,COc1ccc2c(c1-c1cc(-c3ccc(N4CCCC(O)C4)cc3)ccc1CN1CCOCC1)OCCO2,OGHITXGAZJSLTD-UHFFFAOYSA-N
rxn:5:193332:222983:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3cccc(CN4CCC(O)C4)c3)c1)OCCO2,LZNXBARLFFHSBX-UHFFFAOYSA-N
rxn:5:193332:222984:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3ccc(CN4CCC(O)C4)cc3)c1)OCCO2,PQCHKXWETQLHPE-UHFFFAOYSA-N
rxn:5:193332:222991:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3ccc(N4CCCC(O)C4)cc3)c1)OCCO2,LXHALOLHGPHTPL-UHFFFAOYSA-N
rxn:5:193332:225631:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3ccc(N4CCN(C)CC4)cc3)c1)OCCO2,LRKSYIACSJHALB-UHFFFAOYSA-N
rxn:5:193333:222984:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1ccc(CN3CCC(O)C3)cc1)OCCO2,SSTVPWZFIYIISB-UHFFFAOYSA-N
rxn:5:193335:222991:226464,COc1ccc2c(c1-c1cccc(-c3ccc(N4CCCC(O)C4)cc3)c1CN1CCOCC1)OCCO2,OEFUMZKGFJVIDX-UHFFFAOYSA-N
rxn:5:193337:222991:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)cc1CN1CCOCC1)OCCO2,IPYKGEDEQNBJHA-UHFFFAOYSA-N
rxn:5:193337:226464:223056,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)CC4)nc3)c(CN3CCOCC3)c1)OCCO2,IWCAYQVHNLDJFN-UHFFFAOYSA-N
rxn:5:193382:225832:228653,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnn3c2CCCC3)c1,OCFFUFHXCDLWNV-UHFFFAOYSA-N
rxn:5:193382:225987:227680,O=S1(=O)CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccc4c3OC(F)(F)O4)c2)cc1,JLWKYCLEXDRQGS-UHFFFAOYSA-N
rxn:5:193382:227680:227611,O=S(=O)(c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1ccnn1C1CCCCO1)N1CCOCC1,NAROSNFTSOOSOJ-UHFFFAOYSA-N
rxn:5:193382:228695:226661,CN(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)cs1,IYPRQDBHUQNHHV-UHFFFAOYSA-N
rxn:5:193464:225931:225449,Cc1cc(-c2ccc(C3(C#N)CCCCC3)c(-c3cccc(OC4CCCCC4)c3)c2)cc(S(=O)(=O)N(C)C)c1,FBXPYXXYOSRNJI-UHFFFAOYSA-N
rxn:5:193465:225616:227748,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccccc1C(=O)N1CCCC1,JVODJTWDELBSMK-IBGZPJMESA-N
rxn:5:193465:225815:225584,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1ccc(C2CC2)cc1C(F)(F)F,SUJCCTWNHFUEBS-NRFANRHFSA-N
rxn:5:193465:225816:227506,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1-c1cc(C2CC2)ccc1C(F)(F)F,IYRCARGNANKGPI-IDCODDLRSA-N
rxn:5:193465:225871:227095,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CC(=O)C3)cc2)c1-c1cccc(N2C(=O)C=CC2=O)c1,BADVHDHWFSQBSH-FQEVSTJZSA-N
rxn:5:193465:225986:226042,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1ccccc1N1CCCS1(=O)=O,PYPGFJGFKSODLR-SFHVURJKSA-N
rxn:5:193465:225986:227756,C[C@H]1CCCN1C(=O)c1cccc(-c2c(F)cccc2C(F)(F)F)c1-c1ccccc1N1CCCS1(=O)=O,VBFPJMZSNGMION-SFHVURJKSA-N
rxn:5:193465:225986:227792,C[C@H]1CCCN1C(=O)c1cccc(-c2ccnc(C(F)(F)F)c2F)c1-c1ccccc1N1CCCS1(=O)=O,GJDYUYIEZPXTFN-KRWDZBQOSA-N
rxn:5:193465:225986:228499,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C)c1-c1ccccc1N1CCCS1(=O)=O,SMPKLNRCZCALJJ-KRWDZBQOSA-N
rxn:5:193465:226041:226980,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1c([N+](=O)[O-])cccc1C(F)(F)F,VXWOWRNPMJYJQS-KRWDZBQOSA-N
rxn:5:193465:226150:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1cccc(SC2CCCC2)c1,ZEYVJBHSEPWZBM-FQEVSTJZSA-N
rxn:5:193465:226186:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1C1CCOCC1,FSIFBAONXPZKJC-FQEVSTJZSA-N
rxn:5:193465:226774:223113,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1-c1ccc(OC(F)=C(F)F)cc1,ISXFHXNKLUCEAV-KRWDZBQOSA-N
rxn:5:193467:222995:226900,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1cccc(N2CCCC(O)C2)c1,INWMKLOUKJGBIT-JINQPTGOSA-N
rxn:5:193467:226042:226142,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(OC3CCCC3)c2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,RFGQPXFOTPGVKG-IBGZPJMESA-N
rxn:5:193467:226191:226774,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1cc(C2CCCC2)ccc1F,MAQQTXVNMNEYHW-IBGZPJMESA-N
rxn:5:193467:226319:226774,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1ccc(C(=O)N2CCC2)cc1,CJUVVHOKIDGBIR-IBGZPJMESA-N
rxn:5:193467:226900:226211,CC(=O)N1CCc2cc(-c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)c(C(=O)N4CCC[C@@H]4C)c3)ccc21,OWDIUBQAUDXARG-SFHVURJKSA-N
rxn:5:193467:227207:226028,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)c(C#N)c2F)ccc1-c1cccc2c1OCCC2=O,ZQGBTIJXYSRXOY-INIZCTEOSA-N
rxn:5:193467:227505:225986,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1ccc(/C=C/[N+](=O)[O-])cc1,FHDHURKCQAZKKX-RHYRFBSLSA-N
rxn:5:193467:227778:225616,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1cc(F)cc(F)c1[N+](=O)[O-],RQXOJEAAJIMIAX-SFHVURJKSA-N
rxn:5:193467:227785:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1ccc(F)nc1C(F)(F)F,SXSHXZKUZHZROW-KRWDZBQOSA-N
rxn:5:193468:225986:226867,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2N2CCCS2(=O)=O)cccc1-c1c(F)cccc1OC(F)(F)F,FVPXATPAVUTNJJ-SFHVURJKSA-N
rxn:5:193469:225926:226900,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,KXQSGNPKWZQBMS-LJQANCHMSA-N
rxn:5:193506:223089:226654,CC1CCN(c2nc(-c3cc(-c4ccc5[nH]c(C(F)(F)F)nc5c4)ccc3S(=O)(=O)N3CCC(=O)CC3)cs2)CC1,OPGZOYGZQGQWMQ-UHFFFAOYSA-N
rxn:5:193506:225986:228677,CC(C)Cn1cc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,IYGGMGXTNUCKMA-UHFFFAOYSA-N
rxn:5:193506:226900:228703,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cnn(C3CCC3)c2)CC1,VNSMGRURSCLSDK-UHFFFAOYSA-N
rxn:5:193506:226980:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2cccc3c2C(=O)CCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,SSTQMGCSCVYCMD-UHFFFAOYSA-N
rxn:5:193506:228200:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2ccnn2C2CCCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,HKKABTQDYMNFEA-UHFFFAOYSA-N
rxn:5:193506:228501:226571,Cn1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(CC4CCOCC4)c3)c2)c1C(F)(F)F,HTHSJYYNAWZXRA-UHFFFAOYSA-N
rxn:5:193506:228653:225942,CC(C)c1ncc(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C(F)(F)F,YAUANROCCAQMIV-UHFFFAOYSA-N
rxn:5:193506:228974:223143,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCC(O)C4)c3)c2)cn1,VNUADFFFOPJQMS-UHFFFAOYSA-N
rxn:5:193506:228974:226333,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C(=O)N4CCC4)c3)c2)cn1,WAUYCCPWKZBFBK-UHFFFAOYSA-N
rxn:5:193506:228974:226382,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCCC4)nc3)c2)cn1,GTMVZVDBIIROJL-UHFFFAOYSA-N
rxn:5:193540:225514:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCC3(CC3)CO4)ccc1CN1CCCCC1)OCCO2,OSYVRVYSWOIBAR-UHFFFAOYSA-N
rxn:5:193652:225987:226900,O=C1OC(c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2)=NC1=Cc1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,WTYLMAVWOLZUFK-UHFFFAOYSA-N
rxn:5:193653:222994:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(C3=NC(=Cc4ccc(-c5cccc(N6CCC(O)CC6)c5)cc4)C(=O)O3)cc2)c1,NFPQQNALDNDXPE-UHFFFAOYSA-N
rxn:5:193653:226181:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(C6=CCCCC6)nc5)cc4)C(=O)O3)cc2)c1,WWTGSLOCGFRLFU-UHFFFAOYSA-N
rxn:5:193681:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(OC3CCN(C)CC3)c1)OCCO2,SVDJDJOBJRJHAL-UHFFFAOYSA-N
rxn:5:193754:226901:226901,CC1CCN(C(=O)c2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,KAQBSVVFLSZEPJ-UHFFFAOYSA-N
rxn:5:193808:226464:225514,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC3(CC3)CO4)c(CN3CCC(C)CC3)c1)OCCO2,SGNVDEFFEMJPFB-UHFFFAOYSA-N
rxn:5:193869:223065:228366,Cc1cc(-c2ccc(N3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(N(C)C)c(F)c1,KSHHRFUKOVNXOY-UHFFFAOYSA-N
rxn:5:193869:228495:223389,Cc1cc(-c2ccn(CC(F)(F)F)n2)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,JLKWCKWVQVCIGR-UHFFFAOYSA-N
rxn:5:193869:228653:226900,Cc1cc(-c2cnn3c2CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,BJTXZVVCBZHTBE-UHFFFAOYSA-N
rxn:5:193870:223388:227390,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnn2C2CCCCC2)cc1-c1ccc(S(=O)(=O)O)cc1,SHYOGWMQEXJQOP-UHFFFAOYSA-N
rxn:5:193870:223438:226054,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1-c1cn[nH]c1C(F)(F)F,ZLSHEDQSDZPEKZ-UHFFFAOYSA-N
rxn:5:193870:223439:226652,Cc1cc(-c2cc(-c3cc(C(F)(F)F)[nH]n3)c(C)cc2S(=O)(=O)N2CCCCC2)n(C2CCCCO2)n1,BDLZOYSGLNMCBN-UHFFFAOYSA-N
rxn:5:193870:228366:223065,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc(N(C)C)c(F)c1,STFGCIPJYFIPCZ-UHFFFAOYSA-N
rxn:5:193870:228502:226572,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCCC3)nc2)cc1-c1nn(C)cc1C(F)(F)F,CFURCIXWFUFEOX-UHFFFAOYSA-N
rxn:5:193870:228816:226835,Cc1nc(C)c(-c2cc(-c3cc(C(F)(F)F)nn3C(C)C)c(S(=O)(=O)N3CCCCC3)cc2C)c(C)n1,ZFESUKFFPUCPCV-UHFFFAOYSA-N
rxn:5:193870:229049:226046,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1-c1cnc2n1CCC2,GQNDTBNBCNIUKN-UHFFFAOYSA-N
rxn:5:193967:226464:223143,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc(N4CCC(O)C4)c3)c1)OCCO2,UFALXVUVAULWGD-UHFFFAOYSA-N
rxn:5:193967:226464:223307,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCNC4)c1)OCCO2,CQWOTPSLPQXZFV-UHFFFAOYSA-N
rxn:5:193967:226464:226971,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCCOC4)c1)OCCO2,OUSZVYWOXLMIKJ-UHFFFAOYSA-N
rxn:5:193967:226464:227867,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3OCCC4)c1)OCCO2,AXQYQNWHFZHJLZ-UHFFFAOYSA-N
rxn:5:193967:226464:227869,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CC(C)O4)c1)OCCO2,JVTXBTOUIHFRBL-UHFFFAOYSA-N
rxn:5:193967:226464:228527,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3OCC4)c1)OCCO2,OUWVISYWMKHHOZ-UHFFFAOYSA-N
rxn:5:193967:226464:228541,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)COC4)c1)OCCO2,DUFKODLHFAORSW-UHFFFAOYSA-N
rxn:5:193967:227203:227492,COc1ncnc(C2CC2)c1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1CN1CCC2(CC1)OCCO2,LCQHUMUIIJRGGJ-UHFFFAOYSA-N
rxn:5:193967:227766:229148,CCn1nc(C(F)(F)F)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cnn(CCF)c2)c1,SZAPTIIWURMHBN-UHFFFAOYSA-N
rxn:5:193967:227869:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CC(C)O4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,VUKKTESJERGCEZ-UHFFFAOYSA-N
rxn:5:193967:228292:227056,COc1cccc(C2CC2)c1-c1cc(-c2ccnc3c2OCCO3)ccc1CN1CCC2(CC1)OCCO2,HRYRRHMBYCFDSP-UHFFFAOYSA-N
rxn:5:193967:228292:227058,COc1ccc(C2CC2)cc1-c1cc(-c2ccnc3c2OCCO3)ccc1CN1CCC2(CC1)OCCO2,FEGSJWJLQZXMMZ-UHFFFAOYSA-N
rxn:5:193967:228529:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,FZMGWCMHTAHRIN-UHFFFAOYSA-N
rxn:5:193967:228704:223389,CCn1nc(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3c(C)n[nH]c3C(F)(F)F)c2)c1C,KFCISHGZQNXHQC-UHFFFAOYSA-N
rxn:5:193968:226464:223144,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)C4)cc3)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,CVQLBBWKUHCQEK-UHFFFAOYSA-N
rxn:5:193968:226464:223306,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CNCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,FRAROCBDCIGBNR-UHFFFAOYSA-N
rxn:5:193968:226464:223307,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCNC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,DRBIXVUAMKPLKQ-UHFFFAOYSA-N
rxn:5:193968:226464:223342,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCCN4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,ACZKMLWDOXPNOT-UHFFFAOYSA-N
rxn:5:193968:226464:227868,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,CPKRXTYBTDXSRP-UHFFFAOYSA-N
rxn:5:193968:226464:228530,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCC4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,YXVRSQDEPPBMDF-UHFFFAOYSA-N
rxn:5:193968:226837:223438,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cn[nH]c2C(F)(F)F)c(CN2CCC3(CC2)OCCO3)c1,HTLDTCLPXPFXCV-UHFFFAOYSA-N
rxn:5:193968:226837:228704,CCn1nc(C)c(-c2ccc(-c3c(C)nn(CC(F)(F)F)c3C)cc2CN2CCC3(CC2)OCCO3)c1C,XTQZDMMHVXQNJH-UHFFFAOYSA-N
rxn:5:193968:227203:227492,COc1ncnc(C2CC2)c1-c1ccc(-c2ccc3c(c2)OCCCO3)cc1CN1CCC2(CC1)OCCO2,ZNJDODVOQIRTQQ-UHFFFAOYSA-N
rxn:5:193968:227766:228326,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cc(OC)nc(OC)c2)c(CN2CCC3(CC2)OCCO3)c1,IUCCTGVYBYXHAD-UHFFFAOYSA-N
rxn:5:193968:227868:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,VGCBWJKVDYCJJQ-UHFFFAOYSA-N
rxn:5:193968:227869:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CC(C)O4)cc1CN1CCC3(CC1)OCCO3)OCCO2,AXRSALCQJJTSOE-UHFFFAOYSA-N
rxn:5:193968:228062:227056,COc1cccc(C2CC2)c1-c1ccc(-c2cncc3c2CCCO3)cc1CN1CCC2(CC1)OCCO2,HOKYSNZDOHYIKU-UHFFFAOYSA-N
rxn:5:193968:228063:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2cnc3c(c2)COCC3)cc1CN1CCC2(CC1)OCCO2,BYXVXUWHWDZHLD-UHFFFAOYSA-N
rxn:5:193968:228063:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2cnc3c(c2)COCC3)cc1CN1CCC2(CC1)OCCO2,PLOAMKHXTCESIA-UHFFFAOYSA-N
rxn:5:193968:228066:227492,COc1ncnc(C2CC2)c1-c1ccc(-c2ccc3c(c2)OCCO3)cc1CN1CCC2(CC1)OCCO2,JISITSNJFFOZOM-UHFFFAOYSA-N
rxn:5:193968:228292:227056,COc1cccc(C2CC2)c1-c1ccc(-c2ccnc3c2OCCO3)cc1CN1CCC2(CC1)OCCO2,DCOFUDPQENZTTK-UHFFFAOYSA-N
rxn:5:193968:228292:227058,COc1ccc(C2CC2)cc1-c1ccc(-c2ccnc3c2OCCO3)cc1CN1CCC2(CC1)OCCO2,OMOQPXVRKSFIPU-UHFFFAOYSA-N
rxn:5:193968:228292:227072,COc1cc(C2CC2)ccc1-c1ccc(-c2ccnc3c2OCCO3)cc1CN1CCC2(CC1)OCCO2,BLMCSEVOENLPQB-UHFFFAOYSA-N
rxn:5:193968:228454:226850,COc1cc(-c2ccc(-c3cc(OC)nc(C(F)(F)F)c3)c(CN3CCC4(CC3)OCCO4)c2)c(OC)nn1,KKWJXGZTMBQLRA-UHFFFAOYSA-N
rxn:5:193968:228540:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3COC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,GATCNAAGAQNIDT-UHFFFAOYSA-N
rxn:5:193968:228866:228497,COCc1noc(C)c1-c1ccc(-c2ccnn2CC(F)(F)F)c(CN2CCC3(CC2)OCCO3)c1,SYBCGLHGOOIWIW-UHFFFAOYSA-N
rxn:5:193968:228974:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1CN1CCC2(CC1)OCCO2,WNIHIYFIBBTYLP-UHFFFAOYSA-N
rxn:5:193972:223065:228366,Cc1cc(-c2ccc(N3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N(C)C)c(F)c1,CQVSCVDCUIJJSJ-UHFFFAOYSA-N
rxn:5:193972:223307:227682,Cc1cc(-c2ccc3c(c2)CCNC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C#N)cc([N+](=O)[O-])c1,ZYWVUYMQMNGJMV-UHFFFAOYSA-N
rxn:5:193972:226067:228569,Cc1cc(-c2ccc(C3=CCCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1N(C)C,CIYSIDOGTNQDMM-UHFFFAOYSA-N
rxn:5:194414:225514:226464,COc1ccc2c(c1-c1c(-c3cccc4c3OCC3(CC3)CO4)ccc3c1CCN3CC1CC1)OCCO2,JAWNRCHLBISDEN-UHFFFAOYSA-N
rxn:5:194414:226464:225514,COc1ccc2c(c1-c1ccc3c(c1-c1cccc4c1OCC1(CC1)CO4)CCN3CC1CC1)OCCO2,ZACNWLPSDAYXJB-UHFFFAOYSA-N
rxn:5:194561:226900:227664,Cc1cc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)cc(C(F)(F)F)c1,GZLWWBNEVXOECM-UHFFFAOYSA-N
rxn:5:194561:227664:226901,Cc1cc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3COC4)c2)cc(C(F)(F)F)c1,QEFKEDRWNNOPDZ-UHFFFAOYSA-N
rxn:5:194661:225616:226901,O=C1COc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2CN1Cc1ccc(-c2ccccc2C(=O)N2CCCC2)cc1,QAQGVXKKEFUCID-UHFFFAOYSA-N
rxn:5:194733:226900:228603,CC(=O)c1cccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,BJXMZHRCCCVZOB-UHFFFAOYSA-N
rxn:5:194733:226900:228606,CCc1ccc(F)c(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,GKQRYLWJNCBGEI-UHFFFAOYSA-N
rxn:5:194733:226900:229317,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(F)s1)N1C2CCC1CC(=C1CC1)C2,MPZDPTPWFYEZNX-UHFFFAOYSA-N
rxn:5:194733:226901:229036,Cc1cc(F)ccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,BMHNTXFSKKLASZ-UHFFFAOYSA-N
rxn:5:194733:227665:228529,Cc1cc(-c2ccc(-c3ccc4c(c3)CCO4)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1C(F)(F)F,POCLCWMZRZNKBP-UHFFFAOYSA-N
rxn:5:194733:228260:227897,CC(F)(F)c1cccc(-c2ccc(-c3cccc(C=CC#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,DWZQPKHGCZGOGL-UHFFFAOYSA-N
rxn:5:194733:229042:227680,Cc1cccc(-c2ccc(-c3cccc4c3OC(F)(F)O4)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1F,NHRKRWPPSYEOAB-UHFFFAOYSA-N
rxn:5:194791:227806:226900,O=C1C2C(c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cccc2ccccc12,MSKBYCQKULAQLM-UHFFFAOYSA-N
rxn:5:196408:225452:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(OC3C=CCCC3)cc2)c1,KDMVLJKLXMXCRN-UHFFFAOYSA-N
rxn:5:196408:225800:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3ccc(C(=O)N4CCSC4)cc3)c2)c1,QERCAORSZQDMKB-UHFFFAOYSA-N
rxn:5:196408:226027:225454,CN1CC=C(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccc(F)c(S(=O)(=O)N(C)C)c4)c3)cc2)CC1,ZFPGYBDZLFHIIX-UHFFFAOYSA-N
rxn:5:196533:225934:226901,O=C1CC(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1c1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1,UWQZILYXUPPEDK-UHFFFAOYSA-N
rxn:5:196533:226084:225871,O=C1CCCCc2ccc(-c3ccc(N4C(=O)CC(c5cccc(N6C(=O)C=CC6=O)c5)C4=O)cc3)cc21,SRMLANNATJJXNL-UHFFFAOYSA-N
rxn:5:196623:225447:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccc(OC3CCCCC3)cc2)cc(N2CCCC2=O)c1,LQISINALGMMXQT-UHFFFAOYSA-N
rxn:5:196789:225450:226332,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccccc3C(=O)N3CCC3)c2)cc1)C1CCCC1,SCVUYKXPQAMRFK-UHFFFAOYSA-N
rxn:5:196790:226573:226835,Cc1nc(OC(C)(C)C)ncc1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1N1CCOCC1=O,FNZIIPVTPNFGRV-UHFFFAOYSA-N
rxn:5:196790:226783:226835,COc1cc(F)c(F)c(OC)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1N1CCOCC1=O,DSNSZNZSSUFPJS-UHFFFAOYSA-N
rxn:5:196792:226332:225986,O=C(c1ccccc1-c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1N1CCOCC1=O)N1CCC1,FQHOELUUZKAGRV-UHFFFAOYSA-N
rxn:5:196794:225450:227657,O=C(c1ccc(-c2ccc(-c3ccc(N4CCOCC4)s3)c(N3CCOCC3=O)c2)cc1)C1CCCC1,JTHBOUBQGZMNJQ-UHFFFAOYSA-N
rxn:5:196916:226364:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2ccc(N3CCCCC3)nc2)c1,NYVIAMBMNKDKCE-UHFFFAOYSA-N
rxn:5:196918:227386:225455,Cc1ccc(N2CCCCC2)cc1-c1c(-c2cnn(C3CCCCC3)c2)cccc1N1CCCCC1=O,VHRPVQGQZJFRSX-UHFFFAOYSA-N
rxn:5:196919:225810:226733,COc1ccc(-c2ccc(C3=NC(C)(C)CO3)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c2)c(C2OCCO2)c1,WNHCGYDVWIXPGH-UHFFFAOYSA-N
rxn:5:196923:225930:226395,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3=O)cc2-c2cncc(N3CCCCC3)c2)c1,LXNGLQUOUAFIIA-UHFFFAOYSA-N
rxn:5:196923:226901:225986,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2ccccc2N2CCCS2(=O)=O)c1,RLHDDNSBOLTJGA-UHFFFAOYSA-N
rxn:5:197526:225633:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2ccc(N3CCCCCC3)nc2)ccc2c1C(=O)CN2C(C)=O,KEDVVFWQQNTPBB-UHFFFAOYSA-N
rxn:5:197526:225982:226769,COC(=O)c1cc(F)c(F)c(-c2c(-c3cnc(N4CCOCC4)cc3F)ccc3c2C(=O)CN3C(C)=O)c1,UNMOQGRFBQCDRH-UHFFFAOYSA-N
rxn:5:197876:228194:227738,Cc1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1c(C)nn(C(C)C)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,KUWALPQGQPGNKP-UHFFFAOYSA-N
rxn:5:197876:229049:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cnc3n1CCC3)S(=O)(=O)N(C(C)(C)C)C2=O,QSEJJMSRVLYXFJ-UHFFFAOYSA-N
rxn:5:198559:225832:226028,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C(c1ccc(C(F)(F)F)c(C#N)c1F)=NS2(=O)=O,AQKZWSNXANIHAZ-UHFFFAOYSA-N
rxn:5:199278:226054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc2c1N(C)C(=O)CC2,KGSDHRKLGQSIIA-UHFFFAOYSA-N
rxn:4:173406:223811,COC[C@H](C)COCc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,WNFABRKUCDROIU-FQEVSTJZSA-N
rxn:4:173406:223813,COC[C@H](C)COCc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,NMNLWQLSCIBBGP-FQEVSTJZSA-N
rxn:4:173407:223812,CCOC(Cc1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)OCC,OCEDTDITGWEGQU-UHFFFAOYSA-N
rxn:4:173410:223812,CCOC(Cc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)OCC,NAUGDTXGQPZOKV-UHFFFAOYSA-N
rxn:4:173423:224406,CC(C)COc1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCC(F)(F)F,ZWJZFORZSYECEU-UHFFFAOYSA-N
rxn:4:173572:223894,CN1CCN(CCCOc2cccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)c2)CC1,FRUMMXXNWKVXDB-UHFFFAOYSA-N
rxn:4:173593:222741,CC(C)(C)c1cc(C(=O)OCc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)cc(C(C)(C)C)c1,JUFMRFZPAAWVTO-UHFFFAOYSA-N
rxn:4:173733:223606,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,YSANMQLFPAKFAN-UHFFFAOYSA-N
rxn:4:173783:222605,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)ccc1OCC(F)(F)F,QVAMIBZRAYTPIL-UHFFFAOYSA-N
rxn:4:173786:222542,COC(=O)c1c(F)cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1OCC(F)F,SGJUBGUDJMLKHJ-UHFFFAOYSA-N
rxn:4:173786:224290,COC(=O)c1c(F)cc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1OCC(F)F,ZZXUPZHKNCLEHH-UHFFFAOYSA-N
rxn:4:174045:223846,CCOC(=O)CC(=O)c1ccc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cc1C,JFFGRLFMWWFMKO-UHFFFAOYSA-N
rxn:4:174101:223696,CCOC(=O)C(C)S(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,JBCGXANEYYQUDX-UHFFFAOYSA-N
rxn:4:174128:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(OCC(=O)OC(C)(C)C)c2)c1,OHOLNFSQLWNXGW-UHFFFAOYSA-N
rxn:4:174149:223670,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,WSWCWQBJIZKWNI-UHFFFAOYSA-N
rxn:4:174166:223712,COC(=O)c1cc(C(C)C)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1OC(F)F,CNDUEKJTBMBZHL-UHFFFAOYSA-N
rxn:4:174189:223813,CCOC(C)(OCC)c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1,RRFBWLWLVBSXHL-UHFFFAOYSA-N
rxn:4:174189:223814,CCOC(C)(OCC)c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1,KYOCMFIHCAFWKJ-UHFFFAOYSA-N
rxn:4:174316:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(OCC(=O)C(C)(C)C)ccc3OC)c2)CC1,LOJYCZAJBAIQEY-UHFFFAOYSA-N
rxn:4:174316:224374,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,FRAKTLZYEQEEAA-UHFFFAOYSA-N
rxn:4:174401:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(S(=O)(=O)c4ccc(OC)cc4)c(C(=O)OC)c3)c2)CC1,PYRNISRMPAFUOO-UHFFFAOYSA-N
rxn:4:174406:222546,COC(=O)C1(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)CC(OC)(OC)C1,JWXZXDIAAWHNNP-UHFFFAOYSA-N
rxn:4:174407:222546,COC(=O)C1(c2cccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC(OC)(OC)C1,GGTSJDMTRJOUNI-UHFFFAOYSA-N
rxn:4:174407:224962,COC(=O)C1(c2cccc(-c3ccccc3COC3CCOCC3)c2)CC(OC)(OC)C1,SKGZWYJOXAGYCE-UHFFFAOYSA-N
rxn:4:174483:224022,COc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1CO[Si](C)(C)C(C)(C)C,OESBYLPGSOYEET-UHFFFAOYSA-N
rxn:4:174483:224552,COc1ccc(-c2cc(F)cc(COC3CCCCC3)c2)cc1CO[Si](C)(C)C(C)(C)C,ZTYGDTHGXLYONG-UHFFFAOYSA-N
rxn:4:174487:224569,COc1ccc(CO[Si](C)(C)C(C)(C)C)c(-c2cc(F)cc(OCC3CCCCC3)c2)c1,WYYFWMXVHWHRFQ-UHFFFAOYSA-N
rxn:4:174567:222621,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,PQYHWYVYHCSOGE-UHFFFAOYSA-N
rxn:4:174568:222466,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,ZIFREJFUHCORKT-UHFFFAOYSA-N
rxn:4:174568:222621,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,CKVKOWGNKIZQOO-UHFFFAOYSA-N
rxn:4:174663:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,MMBDSUIZPAXPFZ-IRSICFJISA-N
rxn:4:174663:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,PUZMLCBFWFEPLM-IJPSOBMBSA-N
rxn:4:174663:227063,Cc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(OC(C)C)c1,UXMIDWFWLOCSFA-GOKZJXRRSA-N
rxn:4:174663:227102,CC(C)(C)c1ccc(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,CNEDMUJWDOTVPS-XHCDPWOSSA-N
rxn:4:174663:227493,CC(C)Cc1nc(Cl)ncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,SWEOTPGGUZMCOS-YWDCHRJXSA-N
rxn:4:174663:227680,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1,ZDRLKRUYEOZZIH-UAJPHTGBSA-N
rxn:4:174663:227925,CC(C)Oc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,OZWZCGXIMZPNKQ-LUTSASADSA-N
rxn:4:174663:228327,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cnc1OC,RBFMXXVGPIAFFP-QQXXBIGFSA-N
rxn:4:174663:228388,Cc1cnc(C(F)F)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,OGMZKCJAUKKGOW-SSFXTOADSA-N
rxn:4:174663:228556,COCc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,SQKFRBXRDYZTGS-MCPNDBPUSA-N
rxn:4:174663:228682,CCCc1ncncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,MXPYBQUWDWYRLO-LWMYCZQRSA-N
rxn:4:174663:228842,Cc1c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc(Cl)c1F,UIKONJPFFLGGHP-QQXXBIGFSA-N
rxn:4:174663:228863,COCCn1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,ZEVLCNKKWADXGE-PDMYYMTQSA-N
rxn:4:174663:228882,COc1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(C)n1,HIMPMJZIRRLKDD-VNSRODFNSA-N
rxn:4:174663:229098,Cc1cc(F)ncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,HXZQWZSJROLZGA-VNSRODFNSA-N
rxn:4:175040:222524,COC(=O)C(C)Oc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1F,DRCZJLLMAOOPKU-UHFFFAOYSA-N
rxn:4:175055:223696,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C(=O)OC)c1F,CQASHRGBMKUETH-UHFFFAOYSA-N
rxn:4:175343:223929,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,CSOCKRVUOBUCAX-UHFFFAOYSA-N
rxn:4:175710:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC)ccc3OC(C)(C)C)cc2Cl)CC1,PVCIZFIGHRIKMQ-UHFFFAOYSA-N
rxn:4:175789:223761,COC(=O)c1ccccc1-c1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc1C(F)(F)F,AVEZKXVJYXJQLW-UHFFFAOYSA-N
rxn:4:175981:224720,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1,WFJXYEUKLFSTJZ-KNQAVFIVSA-N
rxn:4:176119:223577,CC(C)(C)OC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(-c2ccc(Cl)cc2F)c1,KXDLVMGUFOIHFS-UHFFFAOYSA-N
rxn:4:176122:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(F)cc4F)c3)c2)CC1,FZMKTMFVZOMZPZ-UHFFFAOYSA-N
rxn:4:176130:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C2(O[Si](C)(C)C(C)(C)C)CC2)o1,ZIBDOCPAXIJTNH-UHFFFAOYSA-N
rxn:4:176316:227095,O=C1CC(c2ccc(-c3ccc(OCC(F)(F)F)c(C4C5CC6CC(C5)CC4C6)c3)cc2)C1,QPCNFEPKOSIXIU-UHFFFAOYSA-N
rxn:4:177226:223840,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c(S(C)(=O)=O)c1,LBPIUOAUASFPQZ-UHFFFAOYSA-N
rxn:4:177274:223500,CC(C)OCc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,RWOTVKHWDAEWOS-UHFFFAOYSA-N
rxn:4:177274:223593,CC(C)OCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1Cl,QIOZICFDDLWZRF-UHFFFAOYSA-N
rxn:4:177798:223598,C[Si](C)(C)OCc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1,BSSUBWAGRSFKML-UHFFFAOYSA-N
rxn:4:178397:223527,CCOC(=O)c1cc2cccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2s1,GHMBXOQRWUUIDB-UHFFFAOYSA-N
rxn:4:178588:224569,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cc(F)cc(OCC4CCCCC4)c3)ccc2C1,AFTYFOHDDOLSLS-UHFFFAOYSA-N
rxn:4:178594:225685,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cnc(Cl)c(C2CCCCC2)c1,FRIZDRZGGFLIEU-UHFFFAOYSA-N
rxn:4:178598:222776,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC(O)CC3)cc2F)c1,KAJIWEDEKOXZBK-UHFFFAOYSA-N
rxn:4:178598:222854,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(C3CCCNC3)ccc2OC)c1,DVXMAXGJENSMMC-UHFFFAOYSA-N
rxn:4:178598:222935,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c1,HIYIPWMCWXFYSN-UHFFFAOYSA-N
rxn:4:178598:224753,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1,CXTLYTQYGABGKW-UHFFFAOYSA-N
rxn:4:178598:224941,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CCN3CCOCC3)cc2)c1,GINIFKYNDARYLS-UHFFFAOYSA-N
rxn:4:178598:225043,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OC3CCCCC3)c(F)c2)c1,NSLGVWWLIHWCMH-UHFFFAOYSA-N
rxn:4:178598:225201,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OC3CCCC3)c(F)c2F)c1,JWKSEBODMXOAKG-UHFFFAOYSA-N
rxn:4:179418:223480,Cc1cc(-c2cc(CS(C)(=O)=O)ccc2Cl)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GIIHUAKDWBWVFJ-UHFFFAOYSA-N
rxn:4:180284:223577,CC1C(=O)CCC1Sc1ccccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,PAMMHTYZJQXIBO-UHFFFAOYSA-N
rxn:4:180422:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC4CCCCC4)cc3Cl)c(F)c2)CC1,SQXIFYMIUCFPCD-RZFKFIIISA-N
rxn:4:180447:224397,CC1(C)OC(=O)C(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)C(=O)O1,GKEUXMXMBFULEJ-UHFFFAOYSA-N
rxn:4:180455:223728,CCCCCC1CCC(c2ccc(-c3ccc(C)c(OC4CCCCC4)c3)c(F)c2)CC1,HPBATEFTIISSRD-UHFFFAOYSA-N
rxn:4:180459:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCC4)cc(C4CC4)c3)c(F)c2)CC1,ORDLLHGMEVCEKE-HCGLCNNCSA-N
rxn:4:180501:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)cc3C3CCCCO3)c(F)c2)CC1,KADLCTNJCWFGIS-LCOQZQPXSA-N
rxn:4:180502:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)ccc3C3CCCCO3)c(F)c2)CC1,HJEJSIKGIKSGPD-LCOQZQPXSA-N
rxn:4:180511:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC4CCCCC4)c(C)c3)c(F)c2)CC1,LMSVXPFIOGDDAL-YOCNBXQISA-N
rxn:4:180527:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c(F)c2)CC1,BVQTXBFOEIYCGC-UHFFFAOYSA-N
rxn:4:182083:222694,O=S(=O)(NC1CCCCC1)c1cccc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)c1,LNIJZVYNJWVYAQ-QVSSQLJNSA-N
rxn:4:182107:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)c(F)c2)CC1,YJTRGRWCPXAQTP-ALOJWSFFSA-N
rxn:4:182354:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)c4c3CC3(CCCC3)O4)c(F)c2)CC1,XFFWFUNTQGTKGU-UHFFFAOYSA-N
rxn:4:182376:225269,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c(C(=O)OC)c1,MPFGFXMQVXZGCK-CGOXMLOFSA-N
rxn:4:182409:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4cc(C56CC7CC(CC(C7)C5)C6)ccc4c3)c(F)c2)CC1,VSJQHZQKDFJCFM-CDGISRIKSA-N
rxn:4:182416:223388,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1,OWHWUBJOCORINF-UHFFFAOYSA-N
rxn:4:182681:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2[N+](=O)[O-])CC1,NGKUFLLLDFXRIC-UHFFFAOYSA-N
rxn:4:183261:224349,O=C1CCC2(CC1)Cc1ccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)cc1C2=O,GBEBQUZNMLVYKL-UHFFFAOYSA-N
rxn:4:183272:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)c2)CC1,QKMFKTLYXGOLFS-UHFFFAOYSA-N
rxn:4:183272:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1,KLTZAFSXWNTZIT-UHFFFAOYSA-N
rxn:4:183272:226276,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1CN(C)C,GKHXWLCIBZAIQZ-UHFFFAOYSA-N
rxn:4:183272:228143,CCCc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1Cl,PTYUZVPVDQBGNL-UHFFFAOYSA-N
rxn:4:183273:223846,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC3CCC2(C)C3(C)C)c1,KHQCIHYBXRQNCQ-UHFFFAOYSA-N
rxn:4:183274:227129,c1coc(-c2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,PXYHZQFEGSASSH-UHFFFAOYSA-N
rxn:4:183274:228670,c1cc2c(cc1-c1ccc3oncc3c1)OCCOCCOCCOCCOCCOCCOCCO2,QWWWLQYPKQBOTC-UHFFFAOYSA-N
rxn:4:183274:228772,CCc1c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)ccnc1F,RBVQMHQCRSDEJA-UHFFFAOYSA-N
rxn:4:183482:223951,CCOC(=O)C(=O)Cc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc1[N+](=O)[O-],CNMLVIWYFWVEKL-UHFFFAOYSA-N
rxn:4:183482:224397,CCOC(=O)C(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1[N+](=O)[O-],BPNFSNGLIGDESY-UHFFFAOYSA-N
rxn:4:183556:223981,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,BSCOVZYTLBAYNH-UHFFFAOYSA-N
rxn:4:183556:224018,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,POAWRBVKIHMXHF-UHFFFAOYSA-N
rxn:4:183735:223712,CCOc1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1CN(CC)CC,PVGJMNYEIUASLR-UHFFFAOYSA-N
rxn:4:183765:226308,CCc1cc(-c2ccccc2S(=O)(=O)N2CCC(SCC(=O)OC)C2)ccc1C(=O)OC,PSLIEIQXDNABIH-UHFFFAOYSA-N
rxn:4:183808:223180,CONC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)cc1F,GKXKZHCNLFWXOK-UHFFFAOYSA-N
rxn:4:183855:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N(Cc3cccc(F)c3)Cc3ccco3)cc2)CC1,WPKABMGLMWEKKI-UHFFFAOYSA-N
rxn:4:183870:225294,CCN1CCN(c2ncc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,SRJCFRCIKSZOEM-UHFFFAOYSA-N
rxn:4:183882:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1F,PXFLVNHHFZBTDM-UHFFFAOYSA-N
rxn:4:183892:225281,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c1,XTCOCVXJMHFMJW-UHFFFAOYSA-N
rxn:4:183915:224321,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)CC1,DSWJVAHBIBIANT-UHFFFAOYSA-N
rxn:4:183943:223941,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc2)C1,WYTQQTAWVIVADB-UHFFFAOYSA-N
rxn:4:183963:223671,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DKYQSIRONJTJJQ-UHFFFAOYSA-N
rxn:4:183965:224180,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccccc2OCCN2CCN(C)CC2)c1,ADPLYZVDLDZBHQ-UHFFFAOYSA-N
rxn:4:184001:227338,COC(=O)C1(c2ccc(-c3cc(OC(C)C)ccc3F)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,VDMFYTNEJYLSJI-UHFFFAOYSA-N
rxn:4:184013:224356,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cc2)CC1,WDMCPAVCZMABMG-UHFFFAOYSA-N
rxn:4:184022:222948,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cnc(N3CCC(O)CC3)nc2Cl)CC1,AKUCGZBKBDMHRM-UHFFFAOYSA-N
rxn:4:184027:223121,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc2F)CC1,RGBFENHBWJXPCH-UHFFFAOYSA-N
rxn:4:184029:223502,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c2F)CC1,KJIZFBNRJNTWML-UHFFFAOYSA-N
rxn:4:184031:227890,CCOCc1cccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,SKNGZTMLECGZIW-UHFFFAOYSA-N
rxn:4:184187:223506,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2S1(=O)=O,NMFIKNCXQNARDH-UHFFFAOYSA-N
rxn:4:184390:224830,COC(=O)Cc1ccc(C(F)F)c(-c2cc(C(F)(F)F)nn2C2CCCCO2)c1C#N,WBZIIUFEGFYODM-UHFFFAOYSA-N
rxn:4:184690:223979,O=C(OCc1ccccc1-c1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1)ON1C(=O)CCC1=O,BKDUMKYYASDVDC-UHFFFAOYSA-N
rxn:4:184759:223712,CCN(CC)C(=O)Cc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1F,YDPHKOGUQPUSPX-UHFFFAOYSA-N
rxn:4:184814:223530,CCN(CC)CCc1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,ZYPYRGGTCAFCHY-UHFFFAOYSA-N
rxn:4:184836:222522,CCN(CC)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c(C(=O)OC)cc1F,NJQDMWWRTZVHCZ-UHFFFAOYSA-N
rxn:4:184865:222605,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1cc(S(=O)(=O)NC2CCCC2)ccc1OC,TYWBAEWXJXGQFO-UHFFFAOYSA-N
rxn:4:184918:224587,CC1CCN(Cc2ccc(-c3ccccc3OCCCN3CCC(F)(F)C3)cc2F)CC1,ASPHLZHSEUBNRE-UHFFFAOYSA-N
rxn:4:184954:224244,CC1CCN(C(=O)c2cc(-c3cc(Cl)ccc3OCCCN3CCOCC3)ccc2Cl)CC1,ZDDODDFPNJLIMR-UHFFFAOYSA-N
rxn:4:184958:223810,Cc1cc(-c2cccc(F)c2OCCCN2CCOCC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,SWLXCBOXIFVHNS-UHFFFAOYSA-N
rxn:4:185127:222854,COc1ccc(C2CCCNC2)cc1-c1ccc([N+](=O)[O-])c(CO[Si](C)(C)C(C)(C)C)c1,KFLQQGANULXYJR-UHFFFAOYSA-N
rxn:4:185145:225979,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)C1,QWWRHLMSUCSKLC-UHFFFAOYSA-N
rxn:4:185145:225980,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)ncc3F)cc2)C1,QOEOFOQPEZPKGW-UHFFFAOYSA-N
rxn:4:185149:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,IUANFIXLJXWJCC-UHFFFAOYSA-N
rxn:4:185149:225227,CC1CCN(c2ncc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,MNNKMOHBOHYEJF-UHFFFAOYSA-N
rxn:4:185164:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3C(F)(F)F)cc(C(F)(F)F)c2)CC1,QTTNHONWPNLYRM-UHFFFAOYSA-N
rxn:4:185164:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cc1,GYXZHWFOZUYEFC-UHFFFAOYSA-N
rxn:4:185164:223939,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(C(F)(F)F)c2)C1,CDSBYVOIXLEIRY-UHFFFAOYSA-N
rxn:4:185164:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1C(F)(F)F,UPDGIACLXWNZMH-UHFFFAOYSA-N
rxn:4:185164:225297,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c(C(F)(F)F)c2)C1,NDMBKMJPFCJELM-UHFFFAOYSA-N
rxn:4:185175:224372,O=C(c1cc(-c2cccc(CC(=O)N3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc([N+](=O)[O-])c1)N1CCCC1,KJQYJVMHZBRYTH-SANMLTNESA-N
rxn:4:185201:224277,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,JFBSENQFPBIYGJ-UHFFFAOYSA-N
rxn:4:185208:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(F)c1,XAXSYXFWWAXAOS-UHFFFAOYSA-N
rxn:4:185208:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc21,DMZTVTMSPHWKNL-UHFFFAOYSA-N
rxn:4:185208:224278,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cc2F)C1,CWYPXORMFQXLMN-UHFFFAOYSA-N
rxn:4:185208:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2C1,JZEUGRLTKAWHTH-UHFFFAOYSA-N
rxn:4:185261:224009,CCN(C(=O)c1cc(OC)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1,DHCYZCFDMGZXBG-UHFFFAOYSA-N
rxn:4:185267:223520,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,QFAKBYIIOYEIQB-UHFFFAOYSA-N
rxn:4:185318:222948,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc(C3CC3)c2)C1,BSVNEFBTJBDEIO-UHFFFAOYSA-N
rxn:4:185318:223588,Cc1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZWENWLPIEZRDMC-UHFFFAOYSA-N
rxn:4:185319:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(C2CC2)c1,GRSPPDDGZUKHPP-UHFFFAOYSA-N
rxn:4:185322:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(Cl)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,HUSSZFQMSSMGAC-UHFFFAOYSA-N
rxn:4:185322:223595,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2Cl)CC1,CWYCUQFQERYLKS-UHFFFAOYSA-N
rxn:4:185322:223652,COc1ccc(Cl)c2cc(-c3ccc(Cl)c(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,YJWCJMTXSMYJQY-UHFFFAOYSA-N
rxn:4:185323:225451,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(SC4CCCCC4)cc3)cc2F)CC1,KAGZNRNEERRVAD-UHFFFAOYSA-N
rxn:4:185324:223889,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,QOQDACPYNCZRFG-UHFFFAOYSA-N
rxn:4:185354:223520,CC(c1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JATGYKCOTXQNHA-UHFFFAOYSA-N
rxn:4:185354:224272,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)CC1,KEGNRWIRRXYRKF-UHFFFAOYSA-N
rxn:4:185378:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,QLWFDALYZRVWGE-UHFFFAOYSA-N
rxn:4:185378:226541,COC(=O)c1ccc(-c2cccc(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC,MSCCMVUIOSGOPV-UHFFFAOYSA-N
rxn:4:185379:223527,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,QRXAVFDJBOMOAX-UHFFFAOYSA-N
rxn:4:185380:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2[N+](=O)[O-])CC1,DZEAUQJIDVLFTG-UHFFFAOYSA-N
rxn:4:185380:225876,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)ccc3N3CCOCC3)cc2)(C(F)(F)F)CC1,XTCHKKSJCQMDOG-UHFFFAOYSA-N
rxn:4:185382:223531,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)ccc2C(F)(F)F)CC1,HJHIJAMEBUPVNI-UHFFFAOYSA-N
rxn:4:185382:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,WXRIGTJLSOKGEI-UHFFFAOYSA-N
rxn:4:185383:223529,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc(C(F)(F)F)c2)CC1,OFYRFKQQGWMXPT-UHFFFAOYSA-N
rxn:4:185383:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cn2)CC1,NKSWOOKUHMZHJN-UHFFFAOYSA-N
rxn:4:185383:228456,COc1nc(SC)ncc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,TUTBHJXQGSLIKG-UHFFFAOYSA-N
rxn:4:185384:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,JOWSMUMRPWNAGS-UHFFFAOYSA-N
rxn:4:185384:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,SYBPYZZNNJCIPS-UHFFFAOYSA-N
rxn:4:185386:223938,CC(C)(C)OC(=O)N1CCCC(c2ccc(C(F)(F)F)c(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)C1,CZSRGEKOYRQWQQ-UHFFFAOYSA-N
rxn:4:185405:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)c1,POULKONHRVSEQB-UHFFFAOYSA-N
rxn:4:185405:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc(C3CC3)ccc2C2CCN(C(=O)OC(C)(C)C)C2)c1,KWUWYGLKMKWESL-UHFFFAOYSA-N
rxn:4:185405:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CC2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,QOZSHLRLFODKDA-UHFFFAOYSA-N
rxn:4:185407:226770,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c(F)cc1Cl,DEXABWALXPXVAH-UHFFFAOYSA-N
rxn:4:185408:226833,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(OCC(F)(F)F)nc3)ccc2C2CC2)C1,DVIIORDSJYULQG-UHFFFAOYSA-N
rxn:4:185409:223775,COc1ccc2c(c1)c(-c1cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c1)cn2C(=O)OC(C)(C)C,MTQXXOVLHJDYKA-UHFFFAOYSA-N
rxn:4:185413:223650,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,BYUNAXKQUGHFIF-UHFFFAOYSA-N
rxn:4:185413:223940,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C,DCOIAXGUCBMYQP-UHFFFAOYSA-N
rxn:4:185414:224277,Cc1cc(Cl)cc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,NLGHOIKDTPQQPG-UHFFFAOYSA-N
rxn:4:185420:224278,CC(C)(C)OC(=O)N1CCOC(c2cc(C3CC3)ccc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)C1,APGGFVLNZULHHS-UHFFFAOYSA-N
rxn:4:185422:225798,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(OC4CCOCC4)nc3)cc2C2CC2)C1,PCPFGAPYZSQSQG-UHFFFAOYSA-N
rxn:4:185423:223741,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(CN4CCCc5ccccc54)ccc3F)cc(C3CC3)c2)C1,QRYVUPVUUHGHQI-UHFFFAOYSA-N
rxn:4:185438:226042,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)CC1,GGBJZUJNSDMODF-UHFFFAOYSA-N
rxn:4:185442:227549,COC(=O)c1cc(Cl)ccc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,SDHDRYORBBFFOD-UHFFFAOYSA-N
rxn:4:185502:223811,C[Si](C)(C)CCOCn1ccc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)c21,CTIWWXHXZLBNLZ-UHFFFAOYSA-N
rxn:4:185567:225368,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc2c(c1)OC(F)(F)C(F)(F)O2,JUDOTGXAAKAIKH-UHFFFAOYSA-N
rxn:4:185625:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(-c2coc3cc(OCCN4CC(C)OC(C)C4)ccc3c2=O)cc1,ZZTPSAYNXNQERX-UHFFFAOYSA-N
rxn:4:185958:223695,CCOC(=O)Cc1ccnc(Cl)c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CXBJOGHBOMKDBT-UHFFFAOYSA-N
rxn:4:186023:223695,CCOC(=O)c1cc(Cl)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],IRFWHYRLWXIWAI-UHFFFAOYSA-N
rxn:4:186291:223527,CN(C)C(=O)c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OC(F)(F)F,AGSXJOFQONEPBQ-UHFFFAOYSA-N
rxn:4:186495:223658,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1)ON1C(=O)CCC1=O,FWUHRACHTGLWPS-UHFFFAOYSA-N
rxn:4:186533:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1,KUJQPCQIGTYRNB-UHFFFAOYSA-N
rxn:4:186658:224267,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccc(N2CCC3(CC2)OCCO3)c1,YBIBFYCJHBQZDY-UHFFFAOYSA-N
rxn:4:186660:224819,COc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,YDIPHSVJXGIHDM-UHFFFAOYSA-N
rxn:4:186660:225805,COc1cccc(-c2ccc(C(C)N3CCOCC3)s2)c1C(=O)ON1C(=O)CCC1=O,ZTFGDUHQWQQTLD-UHFFFAOYSA-N
rxn:4:186922:222629,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc(C2CCCNC2)n1,GYRHKIZXQGPNKN-UHFFFAOYSA-N
rxn:4:186992:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCOCC3)cc2)C1,LEDVPEYNNFTSLS-UHFFFAOYSA-N
rxn:4:186992:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)CC(=O)N2CCOCC2)CC1,PIMLTIRYNRDKII-UHFFFAOYSA-N
rxn:4:186992:224009,COc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,ZUYPAVVNFFYZFJ-UHFFFAOYSA-N
rxn:4:186992:225368,O=C(CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC(F)(F)C(F)(F)O2)N1CCOCC1,BGEVAMMJHLVIOH-UHFFFAOYSA-N
rxn:4:187011:222619,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(CNC(=O)C4CCCCC4)cc3)cc2F)C1=O,MEYGBKZSPGNKBW-DEOSSOPVSA-N
rxn:4:187071:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(OC4CN(C(=O)C5CCC5)C4)cc3)c2)CC1,MSYXNEZOTPXPFB-UHFFFAOYSA-N
rxn:4:187081:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc([N+](=O)[O-])cc(F)c3OCC3CCCCC3)c2)CC1,XAXQCYUGSVSVAQ-UHFFFAOYSA-N
rxn:4:187123:224754,CCOc1cc(-c2ccccc2S(=O)(=O)N2CCCCC2)ccc1S(=O)(=O)N1CCOCC1,KWUCJQKZSBGRAM-UHFFFAOYSA-N
rxn:4:187189:223773,COc1cccc2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)n(C(=O)OC(C)(C)C)c12,RHCFADCCDRXBPR-UHFFFAOYSA-N
rxn:4:187198:223835,COC(=O)c1cc(CN2CCCCC2)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,UGPTZFYLOWYCBV-UHFFFAOYSA-N
rxn:4:187203:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(Cl)ccc3C3CN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,OQIONMAFAYUDLP-UHFFFAOYSA-N
rxn:4:187203:224714,CCCCOc1ccc(-c2cc(Cl)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1C(F)(F)F,UHAPRFNKCAAOFT-UHFFFAOYSA-N
rxn:4:187206:223935,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c(Cl)c2)C1,YHHHUPAQCHAFIK-UHFFFAOYSA-N
rxn:4:187214:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,CMDIKJNRGDSWLV-UHFFFAOYSA-N
rxn:4:187304:223951,COC1CCN(CCc2cc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)ccc2F)CC1,HYZNCCQMOLIJMF-UHFFFAOYSA-N
rxn:4:187311:223894,CC1CCCN(CCOc2c(F)cc(Cl)cc2-c2cccc(OCCCN3CCN(C)CC3)c2)C1,QAILZUVVODBTFT-UHFFFAOYSA-N
rxn:4:187327:225998,COC(=O)c1cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1,MDMZJWCMTBVGCB-GOSISDBHSA-N
rxn:4:187365:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCN(C)CC4)cc3OCC)cc2)CC1,WVNIRFTYTKMKKJ-RQNOJGIXSA-N
rxn:4:187380:225368,CC1CCCCN1C(=O)CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC(F)(F)C(F)(F)O2,OYMLCBSNBYPNHB-UHFFFAOYSA-N
rxn:4:187398:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN(C)CC4CCCCC4)c3)c(F)c2)CC1,AIGZRXHJHIPCIL-OJBMAJLDSA-N
rxn:4:187413:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)c(F)c2)CC1,YLHPDEBAWRIAFF-UHFFFAOYSA-N
rxn:4:187418:223588,Cc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,JQMVLCUQWBETFY-UHFFFAOYSA-N
rxn:4:187421:223823,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,FFVSKUAGKIKRMJ-UHFFFAOYSA-N
rxn:4:187421:225218,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cnc(N2CCCC(C)C2)c(Cl)c1,GFIUFWHFZHYMSD-UHFFFAOYSA-N
rxn:4:187438:223507,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,PEDGPXNYZOGCLS-UHFFFAOYSA-N
rxn:4:187438:223581,COC(=O)c1cccc2cc(-c3cc(C)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,KOARVTYCOWJJJW-UHFFFAOYSA-N
rxn:4:187439:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)co3)cc2)C1,QHHGCWZNFLDIPJ-UHFFFAOYSA-N
rxn:4:187441:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)o3)cc2)CC1,CEKSCKJFYXXEGO-UHFFFAOYSA-N
rxn:4:187444:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)c(F)c3)ccc21,JFRXMJSKCTUZSA-UHFFFAOYSA-N
rxn:4:187445:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c1,UFWCQQNDTNQHKJ-UHFFFAOYSA-N
rxn:4:187465:224375,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)o3)CC2)cc(=O)o1,OXOCGMPBXNEIRL-UHFFFAOYSA-N
rxn:4:187488:222542,CCOc1ccc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,GCDGUYRAEGQVOT-UHFFFAOYSA-N
rxn:4:187488:222629,CCOc1ccc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)cc1S(=O)(=O)N1CCC(C)CC1,HKOBXMZQIIUXPH-UHFFFAOYSA-N
rxn:4:187488:223999,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,BFKPTUQFIJULBI-UHFFFAOYSA-N
rxn:4:187489:222612,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,BFXCQBJYLMTGEW-UHFFFAOYSA-N
rxn:4:187499:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(OC)c(C(=O)N2CCCC(C)C2)c(OC)c1,KFXCEPAKELNTFK-UHFFFAOYSA-N
rxn:4:187505:224552,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(F)cc(COC4CCCCC4)c3)cc2Cl)C1,MGCIUNLEZGBLMV-UHFFFAOYSA-N
rxn:4:187557:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)cc2)CC1,IITPYZRQMLODSG-HHHXNRCGSA-N
rxn:4:187576:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,LCGHVHNTDFIVIY-UHFFFAOYSA-N
rxn:4:187589:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)s2)CC1,ORYLGTICYXCTCX-UHFFFAOYSA-N
rxn:4:187597:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)cc1,VZOOWWCVSOKODR-UHFFFAOYSA-N
rxn:4:187623:224877,CC(C)Oc1cccc(-c2ccc(COC3CCCCC3)cc2)c1CN1CCCCC1C,NXEJOPDUIKGEQW-UHFFFAOYSA-N
rxn:4:187659:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,IZPOQASYMHNIJB-UHFFFAOYSA-N
rxn:4:187662:224274,Cc1cc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,RZFTXOSJIPVIGP-UHFFFAOYSA-N
rxn:4:187673:223127,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccc(CNC3CC3)cc2F)c1,CVOWLLLNOIKTGC-UHFFFAOYSA-N
rxn:4:187673:223594,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VIKODPRNVMRODU-UHFFFAOYSA-N
rxn:4:187695:226126,COCc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc1C1CC1,QLWSILUCMDARIN-UHFFFAOYSA-N
rxn:4:187944:224593,CC1CCN(Cc2cc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)ccc2F)CC1,DQZNQJDQCFHZCO-UHFFFAOYSA-N
rxn:4:187944:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,MQHIIQMPTIHZDZ-UHFFFAOYSA-N
rxn:4:187944:224874,c1cc(COC2CCCCC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,LLXRXEGEJKJLSB-UHFFFAOYSA-N
rxn:4:187944:226260,COCC(C)Oc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,DFYFQDWHVMKNRG-UHFFFAOYSA-N
rxn:4:187944:226353,COc1cc(C2CC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1Cl,BRKJCAUEVXOJQY-UHFFFAOYSA-N
rxn:4:187944:226356,COc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(Cl)cc1C1CC1,YBHHKYLWDFHKFB-UHFFFAOYSA-N
rxn:4:187944:226419,Clc1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,VDJKPQJAYSWPCV-UHFFFAOYSA-N
rxn:4:187951:223528,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,IDZTXQBXVGKCQB-UHFFFAOYSA-N
rxn:4:187995:224161,CCc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,DMLZEHWLBKDZTD-UHFFFAOYSA-N
rxn:4:188045:223539,COC(=O)Cc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)no1,KJHXSGDJJOAIQM-UHFFFAOYSA-N
rxn:4:188146:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(F)c(OCC(F)(F)F)c2)CC1,BVAIOTOQVSPMEE-UHFFFAOYSA-N
rxn:4:188223:223606,O=C(C[N+](=O)[O-])c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,APBWZOFLGKZBFZ-UHFFFAOYSA-N
rxn:4:188347:223539,CCOC(=O)c1nc(C)c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1,UPPNRMVVFLZAFR-UHFFFAOYSA-N
rxn:4:188531:222426,CCOc1cccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1[N+](=O)[O-],NELKJVSNOLQXKE-UHFFFAOYSA-N
rxn:4:188756:223521,COC(=O)c1cc(C)cc(C#N)c1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CIUBSVDQVCHTAV-UHFFFAOYSA-N
rxn:4:188765:223649,COC(=O)c1ccc(C)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,AQZPVJATLUJTFX-UHFFFAOYSA-N
rxn:4:189218:222773,O=C(NC1CCOCC1)c1ccc(-c2cccc(F)c2C(=O)ON2C(=O)CCC2=O)cc1,LGHPDMAUSVPHDT-UHFFFAOYSA-N
rxn:4:189603:223926,Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1C(=O)ON1C(=O)CCC1=O,ITSIVLHDPJBYHN-UHFFFAOYSA-N
rxn:4:189778:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)c(CCN4CCCC4)c3)cc2Cl)CC1,USPSUADBXQTQAJ-UHFFFAOYSA-N
rxn:4:189922:224325,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,RACRNOXKFLXHJZ-UHFFFAOYSA-N
rxn:4:189943:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1CS(=O)(=O)N1CCOCC1,WVPXPMRMGCOQJL-UHFFFAOYSA-N
rxn:4:189974:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,JSOZPQDBDUGCDR-UHFFFAOYSA-N
rxn:4:190016:224658,COc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,FUHOOMXXTOJALA-UHFFFAOYSA-N
rxn:4:190025:224760,O=C1CCCCN1CS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,XRZGKXGOHQJHKS-UHFFFAOYSA-N
rxn:4:190116:223696,CCc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1S(=O)(=O)N1CCCC1,USGOTYJCYNJEQT-UHFFFAOYSA-N
rxn:4:190238:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(=O)(=O)N2CCC(OC)CC2)c(F)cc1F,HAHLORDWVUUWRZ-UHFFFAOYSA-N
rxn:4:190254:222524,CC1CCN(C(=O)Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)CC1,GEKWYOCDJDQHJL-UHFFFAOYSA-N
rxn:4:190371:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(CN5CCCCC5)CC4)cc3)c(F)c2)CC1,PWRLXXJGKOYCQD-RQNOJGIXSA-N
rxn:4:190377:223999,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1S(=O)(=O)N1CCC(C)CC1,HELGCRHZZLGIOY-UHFFFAOYSA-N
rxn:4:190380:223900,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c1,KUTYQYBQPYTXEW-UHFFFAOYSA-N
rxn:4:190380:225181,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cccc(CN2CCOCC2)c1F,MHYYDXMVQXBBNS-UHFFFAOYSA-N
rxn:4:190395:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(F)c1N1CCCC(C(=O)C(C)C)C1=O,OBWDFMXWTPERJI-UHFFFAOYSA-N
rxn:4:190451:227766,CCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,HKBOIGSDGZIQFJ-UHFFFAOYSA-N
rxn:4:190481:223951,CC1CCN(C(=O)c2cccc(-c3ccccc3-c3ccc(OCCN4CCN(C)CC4)c(F)c3)c2)CC1,LMHPXXJWZMCRDY-UHFFFAOYSA-N
rxn:4:190827:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)cc1Cl,XXTSSPMCYUNGAD-UHFFFAOYSA-N
rxn:4:190827:223588,Cc1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KTOJLRQHSAMPPU-UHFFFAOYSA-N
rxn:4:190855:222741,CC(C)(C)OC(=O)N1CCc2c(csc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,VHUMNSQIXZBLAJ-UHFFFAOYSA-N
rxn:4:190923:223867,COc1ccc2c(c1OC)C(=O)N(c1ccccc1-c1cccc(OCCCN3CCC(C)CC3)c1)C2=O,VAJFOLWNOBKZHL-UHFFFAOYSA-N
rxn:4:191031:223575,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2CC1,QCLQJBORKYMKTB-UHFFFAOYSA-N
rxn:4:191063:226046,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccnc(C(F)(F)C(F)(F)F)c4)cc3O2)C1,ZHXXQYHJMZKBCF-UHFFFAOYSA-N
rxn:4:191063:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)OC1(CC2=O)CN(C(=O)OC(C)(C)C)C1,GJCODROJHMAWQR-UHFFFAOYSA-N
rxn:4:191063:226736,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4C#N)cc3O2)C1,WASRBWOGAUOBAA-UHFFFAOYSA-N
rxn:4:191069:225330,COC(=O)c1cc(-c2cc(F)c3c(c2)N(CCC2CCCCC2)CCO3)cc(C(=O)OC)n1,YWAULBWNMVBAOM-UHFFFAOYSA-N
rxn:4:191099:223989,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)cc1C2=O,UILOQWQIUAZYPH-UHFFFAOYSA-N
rxn:4:191115:223904,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc1O2,BVPKRTDOKFEQDS-UHFFFAOYSA-N
rxn:4:191115:227549,COC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)COC1(CCN(C(=O)OC(C)(C)C)CC1)O2,OOMOMPCEYCYLMS-UHFFFAOYSA-N
rxn:4:191117:227062,CCOc1ccc(-c2cccc3c2C2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)c(C)c1C,AGJIDDMSSXIKOR-UHFFFAOYSA-N
rxn:4:191118:223928,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc12,WUAKPUODPSBORK-UHFFFAOYSA-N
rxn:4:191127:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,LOGBXABWPQIWPI-UHFFFAOYSA-N
rxn:4:191129:223888,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)ccc3O2)CC1,GAZMWKOMYNOTPN-UHFFFAOYSA-N
rxn:4:192103:223606,CS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)ccc1[N+](=O)[O-],GTCORTATJIIWCH-UHFFFAOYSA-N
rxn:4:192466:223489,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1,HSUVNTCRIJMKPT-UHFFFAOYSA-N
rxn:4:193013:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(SC3CCOCC3)nc2)CC1,WLBFRHJDEKVRTA-UHFFFAOYSA-N
rxn:4:193122:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(C(=O)N2CCCC2)cc(F)c1F,UFJTWOWNGXDWGM-UHFFFAOYSA-N
rxn:4:193131:224415,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2)C=C1,GKVQIRDSXIIWNG-UHFFFAOYSA-N
rxn:4:193184:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1,ASCWYBGTXIUVOT-UHFFFAOYSA-N
rxn:4:193191:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,QMHVXCQWMDOHGV-UHFFFAOYSA-N
rxn:4:193195:223883,C=C1CCCN(C(=O)c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)o2)C1,GQNJJCSELRAAGZ-UHFFFAOYSA-N
rxn:4:193277:223696,CCN1C(=O)C(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c2)SC1=S,MMPVGBTUMXETKU-UHFFFAOYSA-N
rxn:4:193414:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C[N+]4([O-])CCOCC4)cc3)c(F)c2)CC1,SXDWTXHDMDBCMJ-HCGLCNNCSA-N
rxn:4:193499:222719,O=C1CCN(S(=O)(=O)c2cccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CC1,JJTPGGDFJQFVOU-UHFFFAOYSA-N
rxn:4:193499:224326,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(=O)CC3)c2)ccc1S(=O)(=O)N1CCCCC1,MYKPXORJUNEKAR-UHFFFAOYSA-N
rxn:4:193632:223844,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)cc2)c(C(F)(F)F)c1)N1CCCC1,VBDAFKKOXAZWRO-UHFFFAOYSA-N
rxn:4:193684:223649,Cc1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(CN2CCOCC2)c1F,NQJLOSYPTKBUQA-UHFFFAOYSA-N
rxn:4:193686:222722,Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1S(=O)(=O)N1CCOCC1,RVKKVBHUAZCIBM-UHFFFAOYSA-N
rxn:4:193687:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,QUPRYTHLPBFFLQ-UHFFFAOYSA-N
rxn:4:193737:223883,C[C@H](c1ccccc1-c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)N1CCC(=O)CC1,AUZUHIMMSHEYEH-LJQANCHMSA-N
rxn:4:193738:223697,C[C@@H](c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)c1)N1CCC(=O)CC1,XCMWXEBYXDIIHC-SFHVURJKSA-N
rxn:4:193747:223697,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2C2CC2)c(C(F)(F)F)c1)N1CCCCC1,UOBFXQRNVAPLER-UHFFFAOYSA-N
rxn:4:193799:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)ccc3C)c(F)c2)CC1,BVRZKQYOUFYSAO-YOCNBXQISA-N
rxn:4:193800:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C)cc3CN3CCCCC3)c(F)c2)CC1,WRFRTDCZUUXLKJ-SOAUALDESA-N
rxn:4:193802:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC)cc(N4CCCCC4)c3)c(F)c2)CC1,AEWZRNIFFZFORG-SOAUALDESA-N
rxn:4:193803:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)ccc3CN3CCCCC3)c(F)c2)CC1,DJMIWAHCJXCXIT-SOAUALDESA-N
rxn:4:193814:223743,Cc1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1OCCCN1CCC(C)CC1,KDBGYBYOTHBSHE-UHFFFAOYSA-N
rxn:4:193814:223842,CC1CCN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)c(F)c2)CC1,JIOOXXAJMRXAFG-UHFFFAOYSA-N
rxn:4:193827:222540,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1,VZJJUJMUXIGEJW-UHFFFAOYSA-N
rxn:4:193835:224394,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2C)cc1S(=O)(=O)N1CCOCC1,GCLVIFFLQPPFJQ-UHFFFAOYSA-N
rxn:4:193844:222702,Cc1cc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,YPRXPRVEJIIIHY-UHFFFAOYSA-N
rxn:4:193850:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC)cc(N4CCC(F)(F)CC4)c3)cc2)CC1,CLPWOJCGNHVQHA-RQNOJGIXSA-N
rxn:4:193858:224022,CC(c1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCC(F)(F)CC1,UBZOXUBHCQNPAV-UHFFFAOYSA-N
rxn:4:193859:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCC(F)(F)CC4)c3)cc2)CC1,MCNAOVQPFQMWAH-ALOJWSFFSA-N
rxn:4:193877:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,JKBZETPHZFCTSQ-UHFFFAOYSA-N
rxn:4:193877:224597,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(C4CC4)cc(N4CCOCC4)c3)c2)CC1,JUAHUTOGDOKDSP-UHFFFAOYSA-N
rxn:4:193877:224820,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,RARXTSLIQBVESO-UHFFFAOYSA-N
rxn:4:193883:223743,Cc1ccc(-c2cc(S(=O)(=O)N3CCCC(C)C3)c(F)cc2F)cc1OCCCN1CCC(C)CC1,LZHRRAJOQFCMOA-UHFFFAOYSA-N
rxn:4:193886:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)CC2)cc1C,BQBZGPOWBUFDIX-UHFFFAOYSA-N
rxn:4:193914:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC5(CC4)COC5)cc3)c(F)c2)CC1,XBABZZHZSUNJQZ-HCGLCNNCSA-N
rxn:4:193918:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(C(=O)N4CCC(C)CC4)ccc3C)c2)CC1,WRTMJDDNHWVDNI-UHFFFAOYSA-N
rxn:4:193961:223785,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3C)cc2Cl)CC1,YTDVQYGQHJZZOZ-UHFFFAOYSA-N
rxn:4:193972:225088,COc1cc(-c2cc(C)c(Cl)cc2S(=O)(=O)N2CCCCCC2)ccc1OCCN(C)C,PUALCCQHNYHAKM-UHFFFAOYSA-N
rxn:4:193983:224720,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,FMCZVUMEMLZRLK-UHFFFAOYSA-N
rxn:4:194001:223608,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,HSAGNJBPOYWKDZ-UHFFFAOYSA-N
rxn:4:194197:223539,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2oc(C)nc2c1,MCSBECQQDWQWRH-UHFFFAOYSA-N
rxn:4:194416:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(c1)C(=O)C(=O)N2CC(C)C,LQZSEYCUMGYSAS-UHFFFAOYSA-N
rxn:4:194537:223846,Cc1cc(-c2ccc3c(c2)N(CC(C)C)C(=O)CO3)cc(C2CC3CCC2(C)C3(C)C)c1,HGFHHGBHZIGWTC-UHFFFAOYSA-N
rxn:4:194626:223846,Cc1cc(-c2ccc(C(=O)N3C4CCC3CC(F)C4)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,UMBBARLGEWVEAW-UHFFFAOYSA-N
rxn:4:194729:222740,CC(C)c1cc(-c2ccc3c(c2)CN(CC2CCOCC2)CC3)cc(C2CCCNC2)n1,HFWVWBMQCLPXIP-UHFFFAOYSA-N
rxn:4:194731:224193,CCN1CCN(Cc2cc(-c3ccc4c(c3)C(N3CCC(OC)CC3)CC4)ccc2F)CC1,ZZSFBPKPFQKBQQ-UHFFFAOYSA-N
rxn:4:194741:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(F)ccc1N1Cc2cccc(OC)c2OC(C)C1=O,XWQNQANDTNXYJC-UHFFFAOYSA-N
rxn:4:194750:224420,Cc1cc2c(cc1-c1ccccc1S(=O)(=O)N1C3CCC1CC(=C1CC1)C3)C(C)(C)CCC2(C)C,QOYSCQRGYSQNCA-UHFFFAOYSA-N
rxn:4:194768:223814,COC1CCN(C2CCCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)ccc32)CC1,BMNVTTAQTXQVNJ-UHFFFAOYSA-N
rxn:4:194768:223926,COC1CCN(C2CCCc3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)ccc32)CC1,AAKIUGGVYGEECY-UHFFFAOYSA-N
rxn:4:194810:223926,COC(=O)C1=C2CCCN2c2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)ccc2S1(=O)=O,HJZJJVRUXUPMFD-UHFFFAOYSA-N
rxn:4:194819:223562,CC(C)Cn1c2c(c3cc(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc31)CCCC2,RKTNRFPTLIGOFZ-UHFFFAOYSA-N
rxn:4:194853:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)c3c(n4CC4CCCCC4)CCCC3)c(F)c2)CC1,TVKDIQUCIDLVHS-YOCNBXQISA-N
rxn:4:196881:222465,Fc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc(F)c1N1CCOCC1,QQLFLSLOBFVQJR-UHFFFAOYSA-N
rxn:4:197857:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4cncc(C5CCOC5)c4c3)cc2F)CC1,YKSJAJTWZSMKDB-UHFFFAOYSA-N
rxn:4:197914:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3CN(C3CCOCC3)C4=O)cc2Cl)CC1,LFWIJFLREGDVAK-UHFFFAOYSA-N
rxn:4:197966:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CCC4N3CCC(C)CC3)c2)CC1,PRSXJNPUDXDUDH-UHFFFAOYSA-N
rxn:4:197978:222588,OC1CCN(CCOc2ccc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc2F)CC1,REVXAHYRMRKTKY-UHFFFAOYSA-N
rxn:4:197988:224634,COc1ccc(-c2cccc3c2CCCC3N2CCC(C)CC2)cc1CN1CCOCC1,ZNIFWLBGNSQMEJ-UHFFFAOYSA-N
rxn:4:197988:224656,COc1ccc(-c2cccc3c2CCCC3N2CCC(C)CC2)c(F)c1OC1CCCC1,NWMBILNFGQHUEK-UHFFFAOYSA-N
rxn:4:197989:224494,CC1CCCCN1C1CCCc2cc(-c3ccc(CCOC4CCCCO4)cc3)ccc21,KAHZKQJIHRVJDU-UHFFFAOYSA-N
rxn:4:198013:225898,CC(=O)C1=C2CCCN2c2cc(-c3cnn(CCN4CCOCC4)c3)ccc2S1(=O)=O,NCAXSMGTJVROFF-UHFFFAOYSA-N
rxn:4:199032:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cncc4c3CCCC4=O)c(F)c2)CC1,ICFAAKHKCMMUHI-UHFFFAOYSA-N
rxn:4:199486:225209,CCOC(=O)Cn1nc(C(F)F)c(-c2cnc(N3CCCCC3C)nc2C)c1C1CC1,GSMBVZXTLNCGOK-UHFFFAOYSA-N
rxn:4:199570:222546,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,UFODQIDUEVGBMF-HSZRJFAPSA-N
rxn:4:199624:223829,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C,QGDZTWXDRJCAHX-UHFFFAOYSA-N
rxn:4:199624:224010,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,KNCONEYERYVVBJ-UHFFFAOYSA-N
rxn:4:199655:224754,O=C(CCc1ccccc1-c1ccccc1S(=O)(=O)N1CCCCC1)N1CC(CN2C(=O)CCC2=O)C1,MBODRZBXHDHHCP-UHFFFAOYSA-N
rxn:4:199661:224247,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)C1,TVVUUEPEDJNJGO-UHFFFAOYSA-N
rxn:4:199693:223750,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)CC1,RIICWLJUNPVRCD-UHFFFAOYSA-N
rxn:4:199705:224318,CCN1CCN(CCCOc2cc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)ccc2C)CC1,GIUZWROVQRCADL-UHFFFAOYSA-N
rxn:4:199709:223505,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,VZLZAUBPEXYODS-UHFFFAOYSA-N
rxn:4:199711:223774,COc1cccc2c1cc(-c1ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn1)n2C(=O)OC(C)(C)C,UHQLXFAGYFSTMA-UHFFFAOYSA-N
rxn:4:199713:225048,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(N2CCN(C)CC2)cc1C,JORVBHKEIHVXQJ-UHFFFAOYSA-N
rxn:4:199716:222910,CCCNS(=O)(=O)c1ccc(-c2cccnc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,VWMDOFVOZRDTSJ-UHFFFAOYSA-N
rxn:4:199726:227554,COC(=O)c1c(F)cccc1-c1cc(C#N)c(F)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,JGKDDKBLIXCBMK-UHFFFAOYSA-N
rxn:4:199757:223659,CN(Cc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCCC1)C(=O)OC(C)(C)C,PZQFAWZFJDSOPI-UHFFFAOYSA-N
rxn:4:199784:223646,COc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,VGIPJSSXEXGCJY-UHFFFAOYSA-N
rxn:4:199785:223649,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FMGFNMDVNPINDK-UHFFFAOYSA-N
rxn:4:199785:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1OCC,JZELGOUEUAHODN-UHFFFAOYSA-N
rxn:4:199786:223741,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(CN2CCCc3ccccc32)ccc1F,VYLFDUOPURKOLA-UHFFFAOYSA-N
rxn:4:199790:222826,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,WAQGEPGAOABPST-UHFFFAOYSA-N
rxn:4:199790:223638,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,YQFLYFKOVYWUDJ-UHFFFAOYSA-N
rxn:4:199790:227694,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)cc(Cl)n1,JIQOWZHVNMGQNT-UHFFFAOYSA-N
rxn:4:199790:227770,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OC)c([N+](=O)[O-])c1,SXUOZVZCYAITMX-UHFFFAOYSA-N
rxn:4:199811:226021,CC1CN(C(=O)Cc2cc(F)ccc2-c2cc(Cl)ccc2OCC(F)(F)F)CCN1C(=O)OC(C)(C)C,NQYPXFBCQVYKGQ-UHFFFAOYSA-N
rxn:4:199817:223062,CCCOc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,YMCDCWMGQWKTED-UHFFFAOYSA-N
rxn:4:199818:224374,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,WLQBXPFLVJCOSK-UHFFFAOYSA-N
rxn:4:199827:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(CCN2CCN(C(=O)OC(C)(C)C)CC2C)cc1,DJERFTVFYKSNIA-UHFFFAOYSA-N
rxn:4:199829:227706,COc1cnc(C(F)F)c(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,ABEJQLGQYUWPDS-UHFFFAOYSA-N
rxn:4:199829:228459,COc1ncc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(SC)n1,BPFYTGLUISVRPI-UHFFFAOYSA-N
rxn:4:199830:222792,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)ccc1Cl,BCCWBXLAMXLTNR-UHFFFAOYSA-N
rxn:4:199831:223845,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)ccc1F,PYERAKHYPWWFOL-HXUWFJFHSA-N
rxn:4:199839:223498,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,QAKAUNABLZIEAD-XMMPIXPASA-N
rxn:4:199840:223937,CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC2c2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cc2)C1,LZXCEINGXSXETK-UHFFFAOYSA-N
rxn:4:199869:222622,CCCOc1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,VPMOQMMTEVMTHV-UHFFFAOYSA-N
rxn:4:199869:225657,CCCOc1ccc(-c2ccc(N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,UIPIBWMEGNISLT-UHFFFAOYSA-N
rxn:4:199874:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(C3CCCN3C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1,PIVQADFOSYPFST-UHFFFAOYSA-N
rxn:4:199874:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,BOXSZXBELQAJHL-UHFFFAOYSA-N
rxn:4:199883:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)CC1,KTIKVNOCFMXMDU-UHFFFAOYSA-N
rxn:4:200158:223505,COC(=O)C(C(=O)OC)c1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,YPVSTJBJCZRJSC-UHFFFAOYSA-N
rxn:4:200158:223670,COC(=O)C(C(=O)OC)c1ncc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,NRJMFYZXAIVNNE-UHFFFAOYSA-N
rxn:4:200276:224378,Fc1nc(OCCCN2CCCC2)ccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,GXLJRFIFBCPNDX-UHFFFAOYSA-N
rxn:4:200309:223696,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,VMGOLLXRSFJELH-UHFFFAOYSA-N
rxn:4:200369:224277,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)cc2-c2ccnc3c2ccn3C(=O)OC(C)(C)C)C1,YOOHGKHNVGZWCS-UHFFFAOYSA-N
rxn:4:200369:224279,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)cc2-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)C1,SILBJIPRKQQNER-UHFFFAOYSA-N
rxn:4:200370:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(C#N)c(C2CN(C(=O)OC(C)(C)C)C2)c1,WBKSWVGJGMZPMX-UHFFFAOYSA-N
rxn:4:200371:224371,COC(=O)C1CCN(c2ncc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,LNGNRFCVXURUSU-UHFFFAOYSA-N
rxn:4:200371:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(C#N)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c(F)c1,CKTOSNMZOCBBNG-UHFFFAOYSA-N
rxn:4:200427:222396,COCCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)cc2)CC1,LFARAIOSJWAXMT-UHFFFAOYSA-N
rxn:4:200467:222828,CCN1CCN(CCOc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2F)CC1,HCSALDGVTVBOHW-UHFFFAOYSA-N
rxn:4:200473:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)s2)CC1,HKWLYPWUABFNKM-HXUWFJFHSA-N
rxn:4:200473:224414,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)n2)C1,CUZFLQNQDUVFOO-CQSZACIVSA-N
rxn:4:200481:224268,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)C1,ZXKZUJDUGONODA-IBGZPJMESA-N
rxn:4:200555:226502,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccn(C(=O)OC(C)(C)C)c3)n2)C1,ZKZQYLCJTWMNJC-UHFFFAOYSA-N
rxn:4:200557:223481,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)CC1,PVJKCUPGRIMNIS-UHFFFAOYSA-N
rxn:4:200559:223499,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)co2)CC1,WWILELNCLMLLKO-UHFFFAOYSA-N
rxn:4:200559:225294,CCN1CCN(c2ncc(-c3coc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YYTYNNUPDMBTTG-UHFFFAOYSA-N
rxn:4:200560:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccoc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,CFGKKJFKOQQUQZ-UHFFFAOYSA-N
rxn:4:200561:224878,CCN1CCN(Cc2ccc(-c3ccccc3COC3CCCCC3)cc2C(=O)OC)CC1,QWHLWYBQCKLEPC-UHFFFAOYSA-N
rxn:4:200573:223036,CC(C)(C)C(=O)Nc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)cn1,FEISDACONIIMSH-UHFFFAOYSA-N
rxn:4:200600:225572,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C2CC2)ccc1C(=O)OC,BCPZHEPUIOAGEV-UHFFFAOYSA-N
rxn:4:200600:225982,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCOCC2)cc1F,AXQUTMWSVSYTBB-UHFFFAOYSA-N
rxn:4:200603:223504,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2)CC1,CGDCEJVFCPSGLF-UHFFFAOYSA-N
rxn:4:200605:225758,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccncc1C(=O)OC(C)(C)C,FAEKKZZZZNDDLF-UHFFFAOYSA-N
rxn:4:200606:223847,CCCCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,URSNRAFQRHXRAQ-UHFFFAOYSA-N
rxn:4:200607:226839,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cc(C(F)(F)F)ncc2C#N)CC1,DMPLNHMASFTKOH-UHFFFAOYSA-N
rxn:4:200610:224158,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc2F)CC1,CQRQIWHYDNGDRJ-UHFFFAOYSA-N
rxn:4:200610:225975,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2F)CC1,HNZMPBLONQEIEA-UHFFFAOYSA-N
rxn:4:200643:225294,CCN1CCN(c2ncc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,XXGPRUKKXRLZLO-UHFFFAOYSA-N
rxn:4:200651:223774,COc1cccc2c1cc(-c1ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(=O)OC(C)(C)C,SGXYKGUZJZIFMA-UHFFFAOYSA-N
rxn:4:200659:223886,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,MNGLWMXATAONEW-UHFFFAOYSA-N
rxn:4:200671:227237,CCOC(=O)c1ccccc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,WFTKNGOXPKJTDI-UHFFFAOYSA-N
rxn:4:200671:227690,COc1cc([N+](=O)[O-])ccc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,MLXCBOHFBBPPKB-UHFFFAOYSA-N
rxn:4:200703:224270,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)ccc2Cl)CC1,HNNPZTOQYLLJAR-UHFFFAOYSA-N
rxn:4:200705:223669,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2Cl)CC1,JOYVGXDDRZTQMP-UHFFFAOYSA-N
rxn:4:200708:223556,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c(F)c2)CC1,FLGCQZPOGWJAMC-UHFFFAOYSA-N
rxn:4:200711:225898,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2cnn(CCN3CCOCC3)c2)CC1,MKNMDJZTUVEPEO-UHFFFAOYSA-N
rxn:4:200713:223600,Cc1ccc(S(=O)(=O)n2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3F)c3cc(Cl)cnc32)cc1,RZCHEXGQCKIHTP-UHFFFAOYSA-N
rxn:4:200721:223775,COc1ccc2c(c1)c(-c1cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)cn2C(=O)OC(C)(C)C,XBZOCYXKATWSBS-UHFFFAOYSA-N
rxn:4:200721:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,CXBFJRHHOBKKLR-UHFFFAOYSA-N
rxn:4:200730:225911,COC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c(Cl)cc1OC,ZEVNPJLGDGBURY-UHFFFAOYSA-N
rxn:4:200734:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,PWTHHEMUEAXJFW-UHFFFAOYSA-N
rxn:4:200736:226715,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)c(C(F)(F)F)n2)CC1,ZWVLVLAUTLEDMG-UHFFFAOYSA-N
rxn:4:200758:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(C(C)C)CC4)c(OC)c3)cc2)CC1,YFLQKDNSCFHLFL-SOAUALDESA-N
rxn:4:200760:223590,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,RLCQJQBFWDLKSH-UHFFFAOYSA-N
rxn:4:200766:224327,Cc1cc(OCC2CCN(C(=O)c3cccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)c3)CC2)ccn1,FDWIPEAPSZUKAX-UHFFFAOYSA-N
rxn:4:200783:223504,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,LXVVTOBEXGRDCN-UHFFFAOYSA-N
rxn:4:200817:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1C(C)N1CCN(C(=O)OC(C)(C)C)CC1,CKRWRMLMGHKCJK-UHFFFAOYSA-N
rxn:4:200817:223531,CC(c1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KBBMIIYQTZFJOB-UHFFFAOYSA-N
rxn:4:200818:223775,COc1ccc2c(c1)c(-c1ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc1Cl)cn2C(=O)OC(C)(C)C,AOZGBWCAKNKNTG-FQEVSTJZSA-N
rxn:4:200818:224653,C[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,RLDBRHKDDQOWMM-AJZOCDQUSA-N
rxn:4:200822:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)c(Cl)c2)CC1,RHHFZPINOQSLBT-UHFFFAOYSA-N
rxn:4:200822:223970,Cc1ccc(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,YORQTLMUDJTZTI-UHFFFAOYSA-N
rxn:4:200823:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,VBVZBRZRYRPEMB-UHFFFAOYSA-N
rxn:4:200824:223939,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZKRIAECUIMDZTH-UHFFFAOYSA-N
rxn:4:200826:223840,COc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,AYCNYAPVKWPDHL-UHFFFAOYSA-N
rxn:4:200831:222854,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCNC4)ccc3OC)CC2)cc1C,YUEOXDGJSRKNFD-UHFFFAOYSA-N
rxn:4:200832:226643,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(N2CCOCC2)nc1,CPXRSZMMBFFYKU-UHFFFAOYSA-N
rxn:4:200839:226457,COc1c(-c2ccc(C3CCOC3)c(F)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,LWPHFKPKHZQOKS-UHFFFAOYSA-N
rxn:4:200845:225899,Cc1cc(-c2cc(C3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C(=O)OC(C)(C)C)n1,DNFSFUJXFVVPIW-UHFFFAOYSA-N
rxn:4:200846:225975,CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)ccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,XPCXGGATLGPTKG-UHFFFAOYSA-N
rxn:4:200871:223928,Cc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ZRLOYADAPBMDHI-UHFFFAOYSA-N
rxn:4:200881:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3CCC(=O)N3CCCN(C4CCSCC4)CC3)ccn2)CC1,RQVVNKODRPZEPC-UHFFFAOYSA-N
rxn:4:200883:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1,HLJHUJWNXXSPFS-UHFFFAOYSA-N
rxn:4:200887:223699,COc1ccccc1C1CC(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,VFORLNSRBVTOIJ-UHFFFAOYSA-N
rxn:4:200888:224818,COc1ccc(C2CC(c3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1,ZLMCSJCILRMRSH-UHFFFAOYSA-N
rxn:4:200890:224904,CCOc1ccc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,PSLGRXROTUWGOG-UHFFFAOYSA-N
rxn:4:200891:222522,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(OC)c(S(=O)(=O)N4CCC(O)CC4)c3)cc2C)CC1,SPQOEGVZKBLDRC-UHFFFAOYSA-N
rxn:4:200891:222957,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C)cc(C4CCCNC4)c3)cc2C)CC1,IRKWXVSSNRJUTP-UHFFFAOYSA-N
rxn:4:200891:225946,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C(C)=O)cc(C(F)(F)F)c3)cc2C)CC1,QSMDKMYIAMQXST-UHFFFAOYSA-N
rxn:4:200892:223540,CCOc1ccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,PUARWPNJHWQXOB-UHFFFAOYSA-N
rxn:4:200897:223658,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,CHIOWLSNSIWDPH-UHFFFAOYSA-N
rxn:4:200983:222584,COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc1)SCC2,RHKTYYKLLOTXEH-UHFFFAOYSA-N
rxn:4:200999:223810,CCOC(=O)c1cc2c(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)ccnc2n1S(=O)(=O)c1ccc(C)cc1,BWFYZHDZUSIWEA-UHFFFAOYSA-N
rxn:4:201104:222413,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(S(N)(=O)=O)cc5C)cc4)C(=S)N32)cc1OC,AQBJRYVALLEULC-UHFFFAOYSA-N
rxn:4:201124:223788,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)ccc32)CC1,BFGFNUJCKCHVNC-UHFFFAOYSA-N
rxn:4:201134:223556,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c3ccccc23)CC1,XZQSIZLKPJPCDI-UHFFFAOYSA-N
rxn:4:201144:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CO2,RJGZDEPRXHWFOR-UHFFFAOYSA-N
rxn:4:201150:223649,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3C2)CC1,VQLJYFPMLCBZPE-UHFFFAOYSA-N
rxn:4:201157:224718,CCn1c(SCC(=O)c2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)nc2sc3c(c2c1=O)CCCC3,UAZAKSDGVFSVPN-UHFFFAOYSA-N
rxn:4:201237:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)nn1CC(F)(F)F,WGKQKFHFNWJQTM-UHFFFAOYSA-N
rxn:4:201392:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nccn1CC(=O)OC(C)(C)C,HFBIDEGYLMNVOB-UHFFFAOYSA-N
rxn:4:201646:222513,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)nn1CC1CCOCC1,BANXCWVXYSXCIG-UHFFFAOYSA-N
rxn:4:201674:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(F)ccc1N1CCCC(C(=O)CC#N)C1=O,SXTFDKLHBAUKBC-UHFFFAOYSA-N
rxn:4:201730:223659,Cc1c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C2CC2)nn1C(=O)OC(C)(C)C,RTZRFDHQJAWECM-UHFFFAOYSA-N
rxn:4:201760:225987,O=C(Cc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)cc1)N1CC(N2C(=O)CSC2=O)C1,DSSIEFGYZXSYGZ-UHFFFAOYSA-N
rxn:4:201839:224820,CCC(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,NJCWYGXGCITZSM-UHFFFAOYSA-N
rxn:4:201906:227679,COc1ccc(-c2ccc3c(c2)OC(F)(F)O3)c(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1,DNKPMKYFIWFQLF-UHFFFAOYSA-N
rxn:4:201907:226155,CC(=O)c1cc(-c2ccc(CC(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc(C2CC2)c1,GIGOVSYWPCQOSY-UHFFFAOYSA-N
rxn:4:201908:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC(CN5C(=O)CCC5=O)C4)cc3)cc2)CC1,WPNWNEQIVNQMRQ-UHFFFAOYSA-N
rxn:4:201908:227692,COc1c(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)cccc1[N+](=O)[O-],NRTKAMCYOPHLDL-UHFFFAOYSA-N
rxn:4:201915:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCSC4c4cccc([N+](=O)[O-])c4)cc3)cc2)C1,PGVRDSKECGALNJ-UHFFFAOYSA-N
rxn:4:201932:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,UTTSSOOFDHXYTK-UHFFFAOYSA-N
rxn:4:201932:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,CDEMIBBVIIOZDY-UHFFFAOYSA-N
rxn:4:201937:224691,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)c1,OSJSOJCCAYHGLQ-UHFFFAOYSA-N
rxn:4:201945:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cncc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)c(Cl)c1,DEXLFFQVOSMHII-OAQYLSRUSA-N
rxn:4:201945:222948,CC(C)(C)OC(=O)N1CCC[C@@H]1c1cncc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,KMQFMZWJLJIGSK-LJQANCHMSA-N
rxn:4:201979:224819,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(=O)N2CCC(N3C(=O)COC3=O)C2)c1,NMTXISDJHGZOGY-UHFFFAOYSA-N
rxn:4:201987:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)c(F)c2)CC1,JFYBOMUIVXUDGO-YHBQERECSA-N
rxn:4:202001:223937,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)c1,QINMYFQRDTZPSG-UHFFFAOYSA-N
rxn:4:202001:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(C2COCCN2C(=O)OC(C)(C)C)ccn1,DYDOUSHZFJUQDM-UHFFFAOYSA-N
rxn:4:202008:224326,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,HHMKCBXHQMJRNE-UHFFFAOYSA-N
rxn:4:202008:226039,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cn(S(=O)(=O)N(C)C)nc1CC,GPURWQJZUDKTQE-UHFFFAOYSA-N
rxn:4:202010:223774,COc1cccc2c1cc(-c1cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c1)n2C(=O)OC(C)(C)C,WOUSIUCIKBZHQT-UHFFFAOYSA-N
rxn:4:202010:225975,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)C1,BREVMRBOLHPDRL-UHFFFAOYSA-N
rxn:4:202011:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)c(Cl)c1,PTGXDIFIIOUNQU-UHFFFAOYSA-N
rxn:4:202020:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)CC1,WWVABIHSZVZLLI-UHFFFAOYSA-N
rxn:4:202022:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cc2Cl)CC1,FZXOFOQLFBOFIT-UHFFFAOYSA-N
rxn:4:202073:226893,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)c(C(F)(F)F)cc2F)C(=O)C1,FEJRGROQWXJEMZ-UHFFFAOYSA-N
rxn:4:202075:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)C2=O)nc1,YMKTXVQQTJXRLU-UHFFFAOYSA-N
rxn:4:202092:224733,CN(C)C1CCN(CCc2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)CC1,IUEZXPUUJNQEOC-UHFFFAOYSA-N
rxn:4:202097:223650,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,ILKPJNNQPWGMAL-UHFFFAOYSA-N
rxn:4:202097:224271,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)n2)CC1,YBBRXWGIAFMRDW-UHFFFAOYSA-N
rxn:4:202098:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1,YYTOKUYPYHIFRE-UHFFFAOYSA-N
rxn:4:202101:225338,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(F)c(COCC(F)(F)F)c2)cs1,CRCMAMWGTAHZLI-UHFFFAOYSA-N
rxn:4:202103:225294,CCN1CCN(c2ncc(-c3ccncc3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,MDLCXTNNLFEZIF-UHFFFAOYSA-N
rxn:4:202103:225437,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cccc(CN3CCCCC3)c2)CC1,NNUABTSWVBTGBV-UHFFFAOYSA-N
rxn:4:202111:224271,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc2)CC1,GRISBXHIOHMJCF-UHFFFAOYSA-N
rxn:4:202111:225899,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n(C(=O)OC(C)(C)C)n1,KUZLXMFPGQXKKF-UHFFFAOYSA-N
rxn:4:202116:225218,CC1CCCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)C1,PDDRRHFRMKNLGX-UHFFFAOYSA-N
rxn:4:202126:223777,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,VADORPLXDBRCKO-UHFFFAOYSA-N
rxn:4:202130:224279,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)c(F)n2)C1,VKXFQTPSXKUVTM-UHFFFAOYSA-N
rxn:4:202132:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2Cl)CC1,FZHAOEQSKLIZCV-UHFFFAOYSA-N
rxn:4:202156:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1,CSDATASVACVOSH-MCZWQBSQSA-N
rxn:4:202161:224010,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,OXONVNAEMFDMAF-UHFFFAOYSA-N
rxn:4:202170:223139,O=C(C1CN(Cc2ccccc2-c2ccc(C3CCNCC3)nc2)CCO1)N1CCCC1,WOXOWLDHKDIOMD-UHFFFAOYSA-N
rxn:4:202184:224318,CN1CCN(C(=O)c2ccc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c(C(F)(F)F)c3)cc2F)CC1,DNWUAFWKENBOAT-UHFFFAOYSA-N
rxn:4:202201:225926,O=C(C1CN(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)CCO1)N1CCOCC1,HFEDFFDGERZVNB-UHFFFAOYSA-N
rxn:4:202225:223635,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,ZGYZHVKJNJAAJX-UHFFFAOYSA-N
rxn:4:202225:225361,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cn(C3CCCC3)nc2C(F)(F)F)n1,HLHSZMASBHHFQR-UHFFFAOYSA-N
rxn:4:202227:223589,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc(C2CCCN(C(=O)OC(C)(C)C)C2)n1,VFAKFQJZGWCVLK-UHFFFAOYSA-N
rxn:4:202267:224820,O=C(C1CN(Cc2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)CCO1)N1CCCCC1,KGNBTHVEIHXLOX-UHFFFAOYSA-N
rxn:4:202267:225295,O=C(C1CN(Cc2cccc(-c3ccccc3S(=O)(=O)N3CCCC3)c2)CCO1)N1CCCCC1,XRQIRZPHKLZZKE-UHFFFAOYSA-N
rxn:4:202267:227680,O=C(C1CN(Cc2cccc(-c3cccc4c3OC(F)(F)O4)c2)CCO1)N1CCCCC1,UFVQWSMVCNRDCU-UHFFFAOYSA-N
rxn:4:202290:227839,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4c(C)cccc4C4CC4)cc3)CC2)C1,GXCTUQGGUZQIOX-UHFFFAOYSA-N
rxn:4:202301:222646,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3-c3c(C)cc(NC(=O)OC(C)(C)C)cc3C)CC2)c1,KQAHLCMDUXEWBB-UHFFFAOYSA-N
rxn:4:202306:224877,CCN1CCN(Cc2cc(-c3ccc(COC4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,WUQDMMJEUVDIIO-UHFFFAOYSA-N
rxn:4:202309:222622,CCC(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(N3CCOCC3)c2)cc(C2CCCNC2)n1,KNJBDGWMYRKGMI-UHFFFAOYSA-N
rxn:4:202313:227875,O=C(C1CCN(Cc2ccccc2-c2cccc3c2CCCO3)CC1)N1CCC(F)(F)CC1,AJSSUZAQBPCIDP-UHFFFAOYSA-N
rxn:4:202320:224874,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(COC4CCCCC4)c3)c2)CC1,ZMAFFXPKRHVHQV-UHFFFAOYSA-N
rxn:4:202330:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OC)c(S(=O)(=O)N4CCN(c5cccc(C)c5C)CC4)c3)c2)CC1,BPBMVJVRFGIVBV-UHFFFAOYSA-N
rxn:4:202331:223970,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,KXEGGCLOWYWEND-UHFFFAOYSA-N
rxn:4:202341:224877,CC(C)N1CCN(Cc2cc(-c3ccc(COC4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,XRTLOUADKZRGCC-UHFFFAOYSA-N
rxn:4:202374:223606,CCOC(=O)Cn1cc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc2n1,FJYLEQABYLFVKY-UHFFFAOYSA-N
rxn:4:202412:223606,CCOC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n2c1COCC2,BFLVOWNSMCEZTJ-UHFFFAOYSA-N
rxn:4:202540:223810,CCOC(=O)c1cnc2c(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cccc2c1N1CCOCC1,FOXVXYDJGLFEAU-UHFFFAOYSA-N
rxn:4:202697:222982,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(CN5CC[C@@H](O)C5)cc4)cc3)SC3CS(=O)(=O)CC32)cc1,YCKAWQVZURDNKE-AJVXGCDVSA-N
rxn:4:202712:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)cn2)CC1,LHRTYRBUNDTELW-SANMLTNESA-N
rxn:4:202714:224162,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cc23)C1,AYZMTVRTIQANBV-UHFFFAOYSA-N
rxn:4:202726:223595,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc32)CC1,FKAFGSFDXFLGBW-UHFFFAOYSA-N
rxn:4:202734:223844,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)c(C(F)(F)F)c1)N1CCCC1,FFODZWHUVXQDDS-UHFFFAOYSA-N
rxn:4:202755:227206,Cc1c(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)ccc2c1COC2=O,HZUOJKREVSJYSR-UHFFFAOYSA-N
rxn:4:202826:223539,CCOC(=O)c1nnsc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,MLBCMJBKWASAIV-UHFFFAOYSA-N
rxn:4:202869:223606,CCOC(=O)c1[nH]c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)nc1Cl,WMTXRYBKXOBCHF-UHFFFAOYSA-N
rxn:4:202991:223540,CCn1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(C(=O)OC)n1,GGYGMKWXPXTCSQ-UHFFFAOYSA-N
rxn:4:203059:223606,CCOC(=O)c1cnc(C)nc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,IULNPLPRANCHIJ-UHFFFAOYSA-N
rxn:4:203066:223660,Cn1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c(OCC(C)(F)F)n1,NLHKZZGTUNXNHC-UHFFFAOYSA-N
rxn:4:203093:223696,COC(=O)c1nc(S(C)(=O)=O)ncc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,LEAOJMPTBZUDDS-UHFFFAOYSA-N
rxn:4:203153:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)cn3)c2)CC1,BTRYXTMYBFIZMV-UHFFFAOYSA-N
rxn:4:203219:224132,CN(C(=O)c1ccccc1-c1ccnc(C(=O)ON2C(=O)CCC2=O)c1)C1CCCCC1,GBXPQCXADVYMSW-UHFFFAOYSA-N
rxn:4:203565:224376,COC(=O)c1cn(C2CCCCO2)nc1-c1cccc(S(=O)(=O)N2CCN(C)CC2)c1,LCWCQWJMBMUTLB-UHFFFAOYSA-N
rxn:4:203566:224176,COC(=O)c1[nH]c(C2CCOCC2)nc1-c1ccc(OCCSC2CCOCC2)cc1,NPEMCAZQIGWTFT-UHFFFAOYSA-N
rxn:4:203696:225296,O=C(c1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(N2C(=O)CSC2=O)C1,APFHRIOGZFTNHV-UHFFFAOYSA-N
rxn:4:203709:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1,ZLIBUECNMOQUFZ-DDAAKYIKSA-N
rxn:4:203709:226266,COC(=O)CCc1ccccc1-c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)C2)o1,IYFMZCVHXSNLGM-UHFFFAOYSA-N
rxn:4:203757:225926,O=S(=O)(c1ccc(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1)N1CCC1,AOIHDHOIKGTTRS-UHFFFAOYSA-N
rxn:4:203775:222722,COC1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,NGQCZKYHWOUMOB-UHFFFAOYSA-N
rxn:4:203782:223491,COc1cc(N2CCCC(F)(F)C2)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],AIKOXLOBVGIPKU-UHFFFAOYSA-N
rxn:4:203782:223588,COc1cc(N2CCCC(F)(F)C2)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],DOYCEJUKRIADRY-UHFFFAOYSA-N
rxn:4:203821:222719,CN1CCN(C(=O)Cc2cc(F)ccc2-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)CC1,HQFXDZRVUCMCSO-UHFFFAOYSA-N
rxn:4:203821:224770,Cc1cc(-c2ccc(F)cc2CC(=O)N2CCN(C)CC2)cc(S(=O)(=O)N2CCCC2)c1,PHBCSAYBBRSTRX-UHFFFAOYSA-N
rxn:4:203827:223505,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,NCBZYQIYFZWGQB-UHFFFAOYSA-N
rxn:4:203833:226532,CCOC(=O)c1cc(F)cc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1,KRXMJTUTZURSHC-UHFFFAOYSA-N
rxn:4:203833:227446,O=C(c1ccc(-c2ccc(C3OCCO3)cc2)o1)N1CCC(N2C(=O)CSC2=O)CC1,NKQIJIXGYMLCJI-UHFFFAOYSA-N
rxn:4:203833:227780,O=C(c1ccc(-c2c(F)ccc([N+](=O)[O-])c2F)o1)N1CCC(N2C(=O)CSC2=O)CC1,UGWXGJPYECKUDU-UHFFFAOYSA-N
rxn:4:203840:226469,CN1C(=O)C(CC(=O)c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2)C(=O)N(C)C1=O,GSCWAHQYCNMMGV-UHFFFAOYSA-N
rxn:4:203841:224750,O=C(c1ccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,QYQNOJCQORVSQG-UHFFFAOYSA-N
rxn:4:203884:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CS(=O)(=O)N4CCN(C)CC4)cc3)cc2C)CC1,BDUJWKSQYRSLTG-UHFFFAOYSA-N
rxn:4:203889:223892,COC(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1N1CCN(C)CC1,OKWMTIMAVRJNHD-UHFFFAOYSA-N
rxn:4:203897:223834,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)CC1,MALBVZZHKRFWEH-UHFFFAOYSA-N
rxn:4:203904:222864,COc1cc(-c2ccc(OCCNC(C)C)c(F)c2)cc(C(=O)N2CCN(C)CC2)c1F,WUMJVIISQDEEHD-UHFFFAOYSA-N
rxn:4:203914:223150,CN(C)CCNc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)ccn1,PPARORKXHUBBNH-UHFFFAOYSA-N
rxn:4:203940:223835,Cc1cc(F)c(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,GJPWVIACEWHJAP-UHFFFAOYSA-N
rxn:4:203972:222630,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(C)c2)CC1,NIVXIRZJWHMJHQ-UHFFFAOYSA-N
rxn:4:203972:223061,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)ncc3F)c(C)c2)CC1,DOAIKVZAMSJYRB-UHFFFAOYSA-N
rxn:4:203977:224199,CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)CSC4=O)CC3)cc2)CC1,KPDCHBTVIZIUNT-UHFFFAOYSA-N
rxn:4:203985:222807,O=C(NC1CC1)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc([N+](=O)[O-])c1,OHPFUMZUUVSERI-UHFFFAOYSA-N
rxn:4:203985:223126,O=C(Nc1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1)C1CC1,ULHARTISINKSCX-UHFFFAOYSA-N
rxn:4:203985:224646,N#Cc1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1OC1CCOCC1,SFTYYRTUHZWYJI-UHFFFAOYSA-N
rxn:4:203985:226609,COC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc(C)c1Cl,FTAWIWVZLMRODX-UHFFFAOYSA-N
rxn:4:203985:227095,O=C1CC(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)cc2)C1,PZQZFTNGYVKGLD-UHFFFAOYSA-N
rxn:4:203985:227449,O=C(c1ccccc1-c1ccc(C2CCOCC2)s1)N1CCC(N2C(=O)COC2=O)CC1,IPEXNKMWKIRXOZ-UHFFFAOYSA-N
rxn:4:203985:227451,O=C(c1ccccc1-c1ccc(C2CC2(F)F)cc1)N1CCC(N2C(=O)COC2=O)CC1,PFXBJAFVEJYOLU-UHFFFAOYSA-N
rxn:4:203985:227694,COC(=O)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc(Cl)n1,NDVMMQIHMKGPPC-UHFFFAOYSA-N
rxn:4:203987:228078,O=C1OCc2cc(-c3ccc(Cl)c(C(=O)N4CCC(N5C(=O)COC5=O)CC4)c3)ccc21,GIXLSRJVPZEXIJ-UHFFFAOYSA-N
rxn:4:204014:224010,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)c2)CC1,KBDJQZJEAUBEBS-UHFFFAOYSA-N
rxn:4:204020:224760,O=C(C1CCC1)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,KTAYBZZUFZTZTA-UHFFFAOYSA-N
rxn:4:204026:225088,COc1cc(-c2cc(S(C)(=O)=O)ccc2CN2CCN(C)CC2)ccc1OCCN(C)C,OAOGVZJHKXVXMX-UHFFFAOYSA-N
rxn:4:204046:226504,CON(C)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,HWFHBCAJCVTRCU-UHFFFAOYSA-N
rxn:4:204048:222699,CC1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1,WSATVFCZVYRFLW-UHFFFAOYSA-N
rxn:4:204059:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,WHEAHUVRJUEULI-UHFFFAOYSA-N
rxn:4:204066:224853,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(C3CCC(C)(C)CC3)cc2)c1,YWGRFTLITNYWHO-UHFFFAOYSA-N
rxn:4:204082:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1,ROLSKULSCQEQJQ-UHFFFAOYSA-N
rxn:4:204082:223285,CS(=O)(=O)Nc1ccccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,YPGKIEBWALBXGS-UHFFFAOYSA-N
rxn:4:204082:225755,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc(C2CC2)n1,GNUBEQWXTTWWNV-UHFFFAOYSA-N
rxn:4:204082:225757,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc(C(C)C)n1,IPKNZJUMQVNVOS-UHFFFAOYSA-N
rxn:4:204082:227710,CS(=O)(=O)Oc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1,RKRBAADMAOQARA-UHFFFAOYSA-N
rxn:4:204082:228340,COc1nc(C2CC2)sc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,IAQOOUPLTIUKPR-UHFFFAOYSA-N
rxn:4:204091:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,SWDJGIPLHNQIJA-UHFFFAOYSA-N
rxn:4:204102:225684,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C4CCOCC4)nc3C)cc2C)CC1,DQGCBPCGAGNOMS-UHFFFAOYSA-N
rxn:4:204103:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)cc2)CC1,PYHMOZOPDAXVIQ-UHFFFAOYSA-N
rxn:4:204104:224684,O=C1CCN(C(=O)c2ccc(-c3cccc(N4CCN(C(=O)C5CCCC5)CC4)c3)cc2)CC1,BCGHRDJQLTUODB-UHFFFAOYSA-N
rxn:4:204109:228484,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])c(F)c2)CC1,BJQVSSCKJRMSFI-UHFFFAOYSA-N
rxn:4:204109:229088,CC(=O)c1csc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,MBZQXELDCYVMBD-UHFFFAOYSA-N
rxn:4:204117:225090,CCOCc1cc(OC)c(-c2cccc(C(=O)N3CCCN(C4CCSC4)CC3)c2)c(OC)c1,YBXGRZKTPBOWHF-UHFFFAOYSA-N
rxn:4:204166:226131,CC1CCCCN1Cc1ccc(-c2ccccc2CN2CCCC2)cc1N1CCOCC1,FUWCUEMVPQZLIV-UHFFFAOYSA-N
rxn:4:204179:224161,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cc3C)CC2)cc1C,ONJKOSQHKWAFPA-UHFFFAOYSA-N
rxn:4:204180:222701,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)c(C)cc3C)CC2)c(C)c1,AQRCMQLUYOZTCE-UHFFFAOYSA-N
rxn:4:204182:223062,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,OCMGTDSYRILMQQ-UHFFFAOYSA-N
rxn:4:204183:225640,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3-c3ccnc(N4CCCCC4C)c3)CC2)c(C)c1,QGLGKHLNUGQOLM-UHFFFAOYSA-N
rxn:4:204186:226180,Cc1cc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)cc(C2CCCC2)n1,OYRDIPQQFXDNOQ-UHFFFAOYSA-N
rxn:4:204401:223506,COCCn1cnc2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2c1=O,JOCUDSCMXREDOO-UHFFFAOYSA-N
rxn:4:204459:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc4ccn(C(=O)OC(C)(C)C)c4cn3)c2Cl)CC1,JVKNBXRVIGRVJD-UHFFFAOYSA-N
rxn:4:204475:223521,CC(c1cccc(-c2nc(Cl)cc3ccn(C(=O)OC(C)(C)C)c23)c1)N1CCN(C(=O)OC(C)(C)C)CC1,QYNGYIJNFZBKTL-UHFFFAOYSA-N
rxn:4:204556:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2)C1,DRYONVWISGHHEJ-UHFFFAOYSA-N
rxn:4:204605:223527,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc21,RDXLYGYDSIHHSE-UHFFFAOYSA-N
rxn:4:204644:223581,COC(=O)c1cccc2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)n(C(=O)OC(C)(C)C)c12,XROFEWYMAVBFOG-UHFFFAOYSA-N
rxn:4:204644:224290,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2C1,ANHQIPZSEXNGKL-UHFFFAOYSA-N
rxn:4:204680:223533,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)nc2CC1,BABFRBBRVIAUTQ-UHFFFAOYSA-N
rxn:4:204683:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)c2)CC1,ARUDIPDVNRRDEM-UHFFFAOYSA-N
rxn:4:204744:224817,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCOCC1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,CDGYHNHMMKAAMF-UHFFFAOYSA-N
rxn:4:204751:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)c2)cc1,CCEGJXMBVNYKAI-UHFFFAOYSA-N
rxn:4:204780:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)cc(C2CCCNC2)n1,ZUZYNZCZEBRIPQ-UHFFFAOYSA-N
rxn:4:205253:223606,CCn1ncc(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,LJCYQHIXHLGVDM-UHFFFAOYSA-N
rxn:4:205254:223539,CCc1[nH]nc(C(F)(F)F)c1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,UGZKZNGILPTMAA-UHFFFAOYSA-N
rxn:4:206198:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1c(C2CCCC2)ccnc1C#N,IZSMCPAJXHKYII-UHFFFAOYSA-N
rxn:4:206232:224830,O=C(c1csc(-c2cc(C(F)(F)F)nn2C2CCCCO2)n1)N1CCC(F)(F)CC1,NMCDXOWREGPTFC-UHFFFAOYSA-N
rxn:4:206271:223500,Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,GYEFBTHXBSCZBA-UHFFFAOYSA-N
rxn:4:206670:223695,COc1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1C1CCCCC1,BRHRGEJLGHNGTI-UHFFFAOYSA-N
rxn:4:206706:222546,CC1CN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CCO1,HCRGTDJQWJXZDH-UHFFFAOYSA-N
rxn:4:206901:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCN(C)CC4)o3)cc2)CC1,HJWOUAHKOFALJE-RQNOJGIXSA-N
rxn:4:206941:223894,CN1CCN(CCCOc2cccc(-c3ccc(N4N=C(C(C)(C)C)CC4=O)cc3)c2)CC1,JWJSSPBLHVARLW-UHFFFAOYSA-N
rxn:4:206943:224765,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1cc(C(F)(F)F)ccc1N1CCCC1,DEKDIHBCDJPSCF-UHFFFAOYSA-N
rxn:4:206959:223993,Cc1cc(-c2cccc(N3CCN(S(C)(=O)=O)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,YAYYGIGFGQSFOM-UHFFFAOYSA-N
rxn:4:206991:223670,CN(C)C=C1C(=O)N(c2ccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CS1(=O)=O,OHHUJODTQAQFJV-UHFFFAOYSA-N
rxn:4:207057:224810,Cc1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,RLGBWFDBFHOSJW-UHFFFAOYSA-N
rxn:4:207081:222584,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c1)C2,YVVMBIVVPULWPH-UHFFFAOYSA-N
rxn:4:207081:224772,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)c1)C2,ISEXBNPXDKMXSW-UHFFFAOYSA-N
rxn:4:207856:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)cc2)CC1,JCFKBEBAEOFHPG-UHFFFAOYSA-N
rxn:4:207946:222983,COc1cc(-c2cccc(CN3CCC(O)C3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KRFKVOWSADHZPJ-UHFFFAOYSA-N
rxn:4:207946:222984,COc1cc(-c2ccc(CN3CCC(O)C3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,AWWSJUVAXALKAA-UHFFFAOYSA-N
rxn:4:207946:223130,COc1cc(-c2ccc(CN3CC(O)C3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,IOUCDXLGGDWKNI-UHFFFAOYSA-N
rxn:4:207946:223144,COc1cc(-c2ccc(N3CCC(O)C3)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,MESZZNLNXNGQPK-UHFFFAOYSA-N
rxn:4:207946:224355,COc1cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,LJVWHVHGEHZODV-UHFFFAOYSA-N
rxn:4:207946:225050,COc1cc(-c2cc(F)cc(N3CCC(C)CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,CZCZNUNZKHFELE-UHFFFAOYSA-N
rxn:4:207946:225170,COc1cc(-c2cc(F)ccc2CN2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,QHRMDZRYQUUYAA-UHFFFAOYSA-N
rxn:4:207946:225187,COc1cc(-c2cc(Cl)ccc2CN2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,GRIYURVLUISODY-UHFFFAOYSA-N
rxn:4:207946:225394,COc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ZGPQAHPHZJQCDV-UHFFFAOYSA-N
rxn:4:207946:226229,COCCCOc1cccc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)c1,JTXCXESEXFREBO-UHFFFAOYSA-N
rxn:4:207965:224633,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(CN5CCOCC5)ccc4OC)ccc2OC32CCC(C)CC2)cc1,WRVIHHMRHRXOPW-UHFFFAOYSA-N
rxn:4:208468:223539,COc1ccc(-c2cnc(C(F)(F)F)nc2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,JTSQQIVBSVRIKH-UHFFFAOYSA-N
rxn:4:209221:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccnc(N4CCSC4)c3)cc2)CC1,JQVSNYVYXUBORQ-UHFFFAOYSA-N
rxn:4:209561:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4=O)nc3)cc2F)CC1,SEQJEEQCWRIMOK-UHFFFAOYSA-N
rxn:4:209613:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nccc(C2CCCOC2)n1,IHFXUNUEWACTNE-UHFFFAOYSA-N
rxn:4:209710:223823,Cc1nc(N2CCCCC2)sc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,AEMOFGNCZBBJOK-UHFFFAOYSA-N
rxn:4:209801:223505,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N1CCOCC1,FIEJALUPYQNADB-UHFFFAOYSA-N
rxn:4:209849:223823,Cc1ccnc(N2CCCCC2)c1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,FFWDSAXDCLDTME-UHFFFAOYSA-N
rxn:4:210406:223506,COc1c(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2n1CCOC2,CBCKJDWOFAJUPI-UHFFFAOYSA-N
rxn:4:210406:223562,COc1c(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2n1CCOC2,XCPQENQHAIVPHG-UHFFFAOYSA-N
rxn:4:210536:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c(C(F)(F)F)nc4n3CCCC4)c2)CC1,QZHBGTGGKVJRKC-UHFFFAOYSA-N
rxn:4:210536:223695,O=S(=O)(c1cccc(-c2c(C(F)(F)F)nc3n2CCCC3)c1)N1CCC2(CC1)OCCO2,FASFONXSLOXTLN-UHFFFAOYSA-N
rxn:4:211042:224416,CN1C(=O)CCC(N2Cc3c(cccc3-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)C2=O)C1=O,UZMIEYQGJYOWEM-UHFFFAOYSA-N
rxn:4:211068:224351,N#CC1=C2CCCN2c2cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)ccc2S1(=O)=O,NAXJOEAPMDVPIX-UHFFFAOYSA-N
rxn:4:211073:224349,N#CC1=C2CCCCN2c2cc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)ccc2S1(=O)=O,BBQVZRIIUNGAAZ-UHFFFAOYSA-N
rxn:4:211073:225302,CC(C)(C)c1cnc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O,RDGQVUSJTSCDEH-UHFFFAOYSA-N
rxn:4:211089:223106,N#CC1=C2CCCCCN2c2cc(-c3cnc(N4CCC(O)C4)nc3Cl)ccc2S1(=O)=O,RHNDZUVXZXJSKS-UHFFFAOYSA-N
rxn:4:211098:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc3c(c2)C2CC(c4ccc(F)cc4)=NN2C2(CCCC2)O3)c1,GHTDIKUXLFITCE-UHFFFAOYSA-N
rxn:4:211098:223818,CC(C)(C)OC(=O)n1ccc2c(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)c(F)cc(F)c21,YPYNJMQGERXVNV-UHFFFAOYSA-N
rxn:4:211100:226123,COCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)cc1C1CC1,NQIQFFWWIPHDJI-UHFFFAOYSA-N
rxn:4:211101:225718,COC(COc1cccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)c1)OC,TYQNVORQXYVWAE-UHFFFAOYSA-N
rxn:4:211799:223482,Cc1cc2nc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)sc2nc1Cl,JDGVIMUDWQIYAC-UHFFFAOYSA-N
rxn:4:212482:223660,CN1C(=O)COc2c1cnc1cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc21,DFMZQKKCKAFBCO-UHFFFAOYSA-N
rxn:4:212511:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnn(CC2CN(C(=O)CCC(F)(F)F)C2)c1,AOROJYWEKPDSOE-UHFFFAOYSA-N
rxn:4:212524:224817,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,LSFKJKSSLPEVDE-UHFFFAOYSA-N
rxn:4:212527:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)ccc21,UTCPWEDFFMTDTB-UHFFFAOYSA-N
rxn:4:212569:222947,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)cn2)C1,STSROJWMWQGDGE-UHFFFAOYSA-N
rxn:4:212571:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C)nc1OCC1CN(C(=O)OC(C)(C)C)C1,XAIVUSGSQRLKIT-UHFFFAOYSA-N
rxn:4:212605:224276,Cn1cc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,XBIYJMZASXDYSP-UHFFFAOYSA-N
rxn:4:212621:225898,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ULPXJHIKMJNJSV-UHFFFAOYSA-N
rxn:4:212624:223812,O=C(CCc1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCC(Oc2ncc(F)cn2)CC1,IOCCKGJBWUZLPS-UHFFFAOYSA-N
rxn:4:212650:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c(Cl)c2)CC1,AMEDOMROCMTCNR-UHFFFAOYSA-N
rxn:4:212650:226236,CCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)CC(C)(C)C)C2)nc1,ZJRMOVAQHQPXBW-UHFFFAOYSA-N
rxn:4:212653:222420,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2S(N)(=O)=O)n1,OHBQPPYSMXCPJA-UHFFFAOYSA-N
rxn:4:212655:223761,COC(=O)c1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VFKQYMGSBBUQBB-UHFFFAOYSA-N
rxn:4:212656:225312,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCCN(C)CC3)nc2)c1,RJJNHIBUBSAMLY-UHFFFAOYSA-N
rxn:4:212675:222809,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-],JHVULXSSCILWCI-UHFFFAOYSA-N
rxn:4:212675:225665,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)cc2N2CCCCC2)cc1[N+](=O)[O-],PCTRCYNRFJJILJ-UHFFFAOYSA-N
rxn:4:212692:223687,CC1CN(C(=O)Cc2cncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CCN1C(=O)OC(C)(C)C,FEVKFHUNPNICEM-UHFFFAOYSA-N
rxn:4:212693:223526,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,FZNWBCBMXAAYSP-UHFFFAOYSA-N
rxn:4:212693:228265,CC(=O)c1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1Cl,KQKSBSWHFLTTOL-UHFFFAOYSA-N
rxn:4:212695:223671,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZMZKXJHKOXQECD-UHFFFAOYSA-N
rxn:4:212696:225877,O=C(c1ccc(-c2ccc(Cl)cc2N2CCOCC2)cc1)N1CCC(COc2ccc(C3CC3)nn2)CC1,SXTWXAPYTHFCQG-UHFFFAOYSA-N
rxn:4:212704:225144,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc(N3CCOCC3)cc2C#N)n1,MGMUSFWYBZBOFI-UHFFFAOYSA-N
rxn:4:212722:222729,CCCc1cc(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)cc(C2CCCNC2)n1,AXBKTNBXWRRTGQ-UHFFFAOYSA-N
rxn:4:212731:222612,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc4)C3)n2)c1,AGHZRZPURHELKG-UHFFFAOYSA-N
rxn:4:212731:223994,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cc4)C3)n2)c1,NGYIAXDDAOPRBV-UHFFFAOYSA-N
rxn:4:212743:223574,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)CC1,QCCAATPINAILFX-UHFFFAOYSA-N
rxn:4:212743:223649,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)CC1,VZQSTJFJNOMKDK-UHFFFAOYSA-N
rxn:4:212743:225876,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(Cl)ccc4N4CCOCC4)cc3)CC2)CC1,QIMAFSTXGYFNNI-UHFFFAOYSA-N
rxn:4:212747:225758,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccncc2C(=O)OC(C)(C)C)cc1N1CCOCC1,AXWSCISNPFQDJI-UHFFFAOYSA-N
rxn:4:212770:222910,CCCNS(=O)(=O)c1ccc(-c2c(C(=O)OCC)nn3c2CN(C(=O)OC(C)(C)C)CC3)c(C)c1,FOLUJCGYJNXOMF-UHFFFAOYSA-N
rxn:4:212770:224076,CCOC(=O)c1nn2c(c1-c1ccc3c(ccn3[Si](C)(C)C(C)(C)C)c1)CN(C(=O)OC(C)(C)C)CC2,QICHYBRXPZGQHP-UHFFFAOYSA-N
rxn:4:212770:224279,CCOC(=O)c1nn2c(c1-c1ccc3c(c1)ncn3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CC2,SSXFGTKTWLQTKA-UHFFFAOYSA-N
rxn:4:212770:228879,CCOC(=O)c1nn2c(c1-c1ccnn1C1COC1)CN(C(=O)OC(C)(C)C)CC2,RBKGPMVVHOMHRX-UHFFFAOYSA-N
rxn:4:212791:225832,CCOC(=O)c1nn2c(c1-c1c(C)nn(C3CCCCO3)c1C)CN(C(=O)OC(C)(C)C)CCC2,UKRKBEXDVMWTGS-UHFFFAOYSA-N
rxn:4:212829:225665,CN(C(=O)c1cc2cc(-c3ccc(Cl)cc3N3CCCCC3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,RRSVGKRPBWHFSB-UHFFFAOYSA-N
rxn:4:212830:223504,CN(C(=O)c1cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,ZLTNAYAJYFSZDE-AREMUKBSSA-N
rxn:4:212830:228249,COc1c(C)cc(-c2ccc3[nH]c(C(=O)N(C)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3c2)cc1Cl,RUUCPXJPXCCFHN-OAQYLSRUSA-N
rxn:4:212923:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,UFUVYWHHDSUVMS-UHFFFAOYSA-N
rxn:4:212939:223588,Cc1cc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HWXBOKCSZGBINV-UHFFFAOYSA-N
rxn:4:212942:223528,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,UJKIRWUEXRDRQL-UHFFFAOYSA-N
rxn:4:212963:225665,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(Cl)cc3N3CCCCC3)n2)C1,FWHZGKHKWRSJSC-UHFFFAOYSA-N
rxn:4:212964:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2)CC1,VELIXBADIIEAIY-UHFFFAOYSA-N
rxn:4:212966:222799,Cc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)ccc1S(=O)(=O)NC(C)(C)C,CABCKDPGGKDSRY-UHFFFAOYSA-N
rxn:4:212967:222546,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XKFBSRFSXHFQLZ-UHFFFAOYSA-N
rxn:4:212988:222546,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,SBUNZZSRHADHKZ-UHFFFAOYSA-N
rxn:4:212988:223228,CCC(=O)Nc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1,SMEIENGWORIIHY-UHFFFAOYSA-N
rxn:4:212989:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(Cl)cnc3N3CCOCC3)s2)CC1,KWNBNDBVFBLIMZ-UHFFFAOYSA-N
rxn:4:212991:222730,CCCc1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C2CCNCC2)n1,NHTPRRFKBIPBGZ-UHFFFAOYSA-N
rxn:4:213010:223084,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1,BAJHFKPWXCFQLX-IBGZPJMESA-N
rxn:4:213010:225979,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,RBBRSZIIGVQJNI-SFHVURJKSA-N
rxn:4:213011:224963,CC(C)C(=O)N1CCCC(COc2ncc(-c3cccc(COC4CCOCC4)c3)cn2)C1,UICKJMAFKDOHBJ-UHFFFAOYSA-N
rxn:4:213013:224672,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)CC1,XNWDGEJEBBONQE-UHFFFAOYSA-N
rxn:4:213031:225264,COC(=O)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4cc(F)ccc4OC)C3)nc2)cc1C(=O)OC,QVUFLSOFHVXBQR-UHFFFAOYSA-N
rxn:4:213042:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,CYZDRFIAMAXQOV-UHFFFAOYSA-N
rxn:4:213043:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc1,YEQZGOAJJGXUEV-UHFFFAOYSA-N
rxn:4:213043:226686,Cc1cnn(C2CCCCO2)c1-c1cnc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc1,RIJFZBILIWIMIV-UHFFFAOYSA-N
rxn:4:213048:224818,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C2)cc1C,XGLROZZAWNQUSJ-UHFFFAOYSA-N
rxn:4:213053:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,FZHMZBCRCFYEBH-UHFFFAOYSA-N
rxn:4:213070:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,LZKOQPDBGJZZIM-UHFFFAOYSA-N
rxn:4:213070:225899,Cc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)n(C(=O)OC(C)(C)C)n1,JLKWLVCCLMJART-UHFFFAOYSA-N
rxn:4:213077:226686,Cc1cnn(C2CCCCO2)c1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)F,AJHDTBCYTONSFQ-UHFFFAOYSA-N
rxn:4:213077:227613,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(C4CCOCC4)c3)c(C(F)F)n2)CC1,JKZZREOUVLSFDW-UHFFFAOYSA-N
rxn:4:213078:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F,JFIOKLIOTMMSPE-UHFFFAOYSA-N
rxn:4:213078:225758,CC(C)(C)OC(=O)c1cnccc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F,QFHYGXGNWWEZJE-UHFFFAOYSA-N
rxn:4:213078:228225,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(Cl)cnc3C3CC3)c2C(F)F)CC1,AERZTOKUPQOJOG-UHFFFAOYSA-N
rxn:4:213093:223556,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)c(C#N)c2)CC1,BQBAHGIFCRORRT-UHFFFAOYSA-N
rxn:4:213094:226295,CC(C)OCc1ccc(F)cc1-c1cccc(C#N)c1N1CCN(C(=O)OC(C)(C)C)CC1,YFFGHDVMHMVUCK-UHFFFAOYSA-N
rxn:4:213095:227584,COc1cc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1Cl,UMRTZESTFMCKDC-UHFFFAOYSA-N
rxn:4:213097:223935,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)CC1,ADPYUBQXHCDVPZ-UHFFFAOYSA-N
rxn:4:213100:228458,CSc1ncc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)c(SC)n1,XXQVOGQAMCAKRH-UHFFFAOYSA-N
rxn:4:213128:224476,COc1nc(-c2ccc3c(c2)ncn3C2CCCCC2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,LOZOXACXLKMYDD-UHFFFAOYSA-N
rxn:4:213129:225901,COc1nc(-c2cn(C(=O)OC(C)(C)C)nc2C)cn1C1CCN(C(=O)OC(C)(C)C)CC1,QAGUKYKQJSAMFH-UHFFFAOYSA-N
rxn:4:213130:225898,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,BVMILRXBEDPVHB-UHFFFAOYSA-N
rxn:4:213131:223521,CC(c1cccc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,WVHJSROYKUJNFK-UHFFFAOYSA-N
rxn:4:213132:222546,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,QQCWSEGIHBQSMJ-UHFFFAOYSA-N
rxn:4:213134:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)CC)CC4)nc3)c(Cl)c2)CC1,ZDHIZCUXQOSQIZ-UHFFFAOYSA-N
rxn:4:213135:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc1C,IMNPMMFAXAZKRJ-UHFFFAOYSA-N
rxn:4:213138:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QTRHKFGEYABOOW-UHFFFAOYSA-N
rxn:4:213144:224162,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1,TXGKFJRXQVDOAB-UHFFFAOYSA-N
rxn:4:213147:227503,CC(C)Oc1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cn1,VTYLUJQWIPVUEM-UHFFFAOYSA-N
rxn:4:213161:222803,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cn3)CC2)c1,IQWPZMJGFDPBAQ-UHFFFAOYSA-N
rxn:4:213178:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c(C)o1,NXGQDXCYQYSXLZ-UHFFFAOYSA-N
rxn:4:213205:222791,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cc3)C2)nc1,QTEGDPJSYIJPPC-UHFFFAOYSA-N
rxn:4:213205:224391,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)C2)nc1,SLHSIYPGVQVXKJ-UHFFFAOYSA-N
rxn:4:213214:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)cc2)CC1,VQYGAJQEKDVKDU-UHFFFAOYSA-N
rxn:4:213215:227525,CCc1cnc(C(F)F)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,DJWZFVGKUIQHMZ-UHFFFAOYSA-N
rxn:4:213220:226511,CC1CN(c2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,LBBCHVLTXJBEOY-UHFFFAOYSA-N
rxn:4:213225:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)c(Cl)cn1,DLODLTMFZJVMDY-QFIPXVFZSA-N
rxn:4:213225:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)ccc2Cl)CC1,HRWQOWJWGKDWJM-NDEPHWFRSA-N
rxn:4:213225:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2[N+](=O)[O-])CC1,JABYZNSDJRNERH-MHZLTWQESA-N
rxn:4:213225:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)c(F)c2)CC1,GWBCEKOQGAVKIL-LJAQVGFWSA-N
rxn:4:213246:223671,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,GWPCKXSDUDYTSI-UHFFFAOYSA-N
rxn:4:213257:224161,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2,VNKVRIPERJCXLJ-UHFFFAOYSA-N
rxn:4:213265:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)cc2)CC1,IVFRWHIUPXORAR-DIVCQZSQSA-N
rxn:4:213336:227381,COC(=O)c1nc(-c2cnc(C3CCCC3)nc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,WRHXOWDOCUIKLK-UHFFFAOYSA-N
rxn:4:213336:228365,COC(=O)c1nc(-c2cnc(C3CC3)nc2Cl)n2c1CCN(C(=O)OC(C)(C)C)CC2,NJRKJDCBGVDGMC-UHFFFAOYSA-N
rxn:4:213354:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c1,YQQWKCLPHWVZCR-UHFFFAOYSA-N
rxn:4:213354:227240,CC(=O)OCc1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)cc1,SVZDFOVWJSCAKB-UHFFFAOYSA-N
rxn:4:213428:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc(C(F)(F)F)c2)CC1,IZKBZDGLQMAPOZ-YTTGMZPUSA-N
rxn:4:213444:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)cc2)CC1,CSBQNDBQQHZHDI-CUYOJZMFSA-N
rxn:4:213458:225901,COc1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,HCUAMLDNDLHVMG-MPFGFTFXSA-N
rxn:4:213476:227768,CN(C)S(=O)(=O)n1cccc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,RIWGGUSDIBNJLF-HGXPRIRFSA-N
rxn:4:213476:228823,Cc1cc(F)c(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1Cl,IOEKMURHKIYXPJ-IOOMFELFSA-N
rxn:4:213498:222439,COCn1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)nc1C(=O)OC,NLRYABSKAOUAST-UHFFFAOYSA-N
rxn:4:213661:222546,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,RYEFMEOTYXXHPV-UHFFFAOYSA-N
rxn:4:213661:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(C(=O)OCC)CC4)nc3)c(F)c2)CC1,CUXWKHYRIZSRKT-HZCBDIJESA-N
rxn:4:213693:223812,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cn1,VBJWGYVQWKHEGR-UHFFFAOYSA-N
rxn:4:213723:223847,CCCCCC1CCC(c2ccc(-c3cncc(CC(=O)N4CCN(CC)CC4)c3)cc2)CC1,GVNJGUGGRUKRDN-UHFFFAOYSA-N
rxn:4:213753:224834,CN(C)S(=O)(=O)n1cc(-c2cnn(CC3CN(CC4CCCC4)C3)c2)c(C(F)(F)F)n1,RJAWTCRDXYRZSX-UHFFFAOYSA-N
rxn:4:213758:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(CCC2CCCCN2S(C)(=O)=O)cn1,OHVXGLDACIJKRD-UHFFFAOYSA-N
rxn:4:213766:225977,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(Cl)cnc3N3CCOCC3)co2)CC1,CHEUDVFPMJUQGC-UHFFFAOYSA-N
rxn:4:213767:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)CC1,MDBSZBDDLGWYAC-UHFFFAOYSA-N
rxn:4:213798:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2)C1,YTFPYZKTCFONQS-UHFFFAOYSA-N
rxn:4:213799:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)c2)C1,ZRJOKXNMQFFRBT-UHFFFAOYSA-N
rxn:4:213799:225978,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCOCC4)nc3F)ncn2)C1,AHZLBIMBJFZCSH-UHFFFAOYSA-N
rxn:4:213800:225898,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnn(CCN3CCOCC3)c2)ncn1,JGHWMMAUOCZXQB-UHFFFAOYSA-N
rxn:4:213800:226716,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccn(C(=O)OC(C)(C)C)n2)ncn1,HHKUPFGSEKCLEH-UHFFFAOYSA-N
rxn:4:213803:222584,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,YOLFZFCFGHAGBL-UHFFFAOYSA-N
rxn:4:213822:222584,Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)ccc3Cl)C2)n1,XNGHDFYFLPFKOY-UHFFFAOYSA-N
rxn:4:213828:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,GNGUXARXSGSWHW-UHFFFAOYSA-N
rxn:4:213831:224760,CC(C)CN1CCCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2)C1,MRXZSXNOGGCZQK-UHFFFAOYSA-N
rxn:4:213833:223940,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)n2)CC1,DTILPZVIVUHCBA-UHFFFAOYSA-N
rxn:4:213834:225877,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,TXVWYQAOZKRNTH-UHFFFAOYSA-N
rxn:4:213835:223592,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,AXSRMHPGKHYBGY-UHFFFAOYSA-N
rxn:4:213836:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,UXQOZGVCTDKFLV-UHFFFAOYSA-N
rxn:4:213839:223931,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,SXZPZZBRFSVKDQ-UHFFFAOYSA-N
rxn:4:213844:225975,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)C(=O)C1,MUPSONPKTXZQEY-UHFFFAOYSA-N
rxn:4:213849:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)cc2F)CC1,YLCSKAZZDFYINZ-UHFFFAOYSA-N
rxn:4:213876:225799,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(OC4CCOCC4)c3)nc2)CC1,MNDDBVFEZABBJV-UHFFFAOYSA-N
rxn:4:213877:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)c1,VWDFLRGGPMFPPU-UHFFFAOYSA-N
rxn:4:213879:223490,Cc1ccc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QDOVTBIKSDUGRG-UHFFFAOYSA-N
rxn:4:213880:223064,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(C3CCNCC3)nc2F)CC1,HZJJIQTVKXUADH-UHFFFAOYSA-N
rxn:4:213882:225947,CN1CCN(c2ncc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)cn2)CC1,RLXXLFHRICHJKB-UHFFFAOYSA-N
rxn:4:213884:224394,Cc1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCOCC1,LMVUQTCCGRJMFM-UHFFFAOYSA-N
rxn:4:213894:225980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(N4CCOCC4)ncc3F)cn2)CC1,PORIJGQXJRVIFJ-UHFFFAOYSA-N
rxn:4:213896:224276,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,MOYBRBULOUBPRV-UHFFFAOYSA-N
rxn:4:213897:223883,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1,RKPUNECISVBSPD-UHFFFAOYSA-N
rxn:4:213898:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c2)CC1,BYYBMVVCDOQWOP-UHFFFAOYSA-N
rxn:4:213899:223508,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,DOFFWBSMGDYAOL-UHFFFAOYSA-N
rxn:4:213901:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(Cl)nc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,SJGXXUXUHDNYQZ-UHFFFAOYSA-N
rxn:4:213902:225181,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(CN4CCOCC4)c3F)cc2F)CC1,MRQYTPLGYNDCIX-UHFFFAOYSA-N
rxn:4:213905:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1,IKEKRJNVKBFPPE-UHFFFAOYSA-N
rxn:4:213920:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)c2C1,NLAWNMVHPJEIBO-UHFFFAOYSA-N
rxn:4:213927:222546,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nc(C)n1,YJUNSMXGVQNENX-UHFFFAOYSA-N
rxn:4:213931:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,LDLCGIXJYYVTFD-UHFFFAOYSA-N
rxn:4:213933:228717,Cc1nn(C2CC2)cc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,WJTPETPUEXNMLH-UHFFFAOYSA-N
rxn:4:213941:223227,Cc1c(-c2ccc(C(C)NC3CC3)s2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,OPTUZHDNTVAWAO-UHFFFAOYSA-N
rxn:4:213941:223536,Cc1c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,ZANKFQBCYULDGF-UHFFFAOYSA-N
rxn:4:213941:225833,Cc1c(-c2ccnc(N3CCCCC3)c2F)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,PANANTPZLPVXRJ-UHFFFAOYSA-N
rxn:4:213941:226658,Cc1c(-c2ccc(N3CCCC3)nc2F)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,CHSDNEAPZPFDSA-UHFFFAOYSA-N
rxn:4:213943:224280,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1,VYBKJUPTUYSXDS-UHFFFAOYSA-N
rxn:4:213968:222718,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cn3)C2)c1,XFSNJYISXQFDJT-UHFFFAOYSA-N
rxn:4:213971:224937,CCOC(=O)C1(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2)CC1,LQEAJZWUIIJUHM-UHFFFAOYSA-N
rxn:4:213979:223534,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)nn1,ZZVFUKQXJYJUSP-UHFFFAOYSA-N
rxn:4:213979:224292,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)ccc1S(=O)(=O)OCC(C)(C)C,FROBKLJSEHYMTG-UHFFFAOYSA-N
rxn:4:213979:226655,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(Cl)cnc2N2CCCC2)nn1,KFKZHCWVLJJSRX-UHFFFAOYSA-N
rxn:4:213981:223637,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)n1,DEGOGURFYWCGJR-UHFFFAOYSA-N
rxn:4:213982:223687,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ncn1,QEONOFWQSZHJLR-UHFFFAOYSA-N
rxn:4:214005:228241,CC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)ccc1F,FMWKZZQPGHKMCA-UHFFFAOYSA-N
rxn:4:214005:228391,O=C(c1cccc(-c2cccc(C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,BODBTTSOYKJEEO-UHFFFAOYSA-N
rxn:4:214010:222389,Cc1nn(C(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(C)c1S(=O)(=O)N1CCOCC1,BCLGQRYFNPHLEZ-UHFFFAOYSA-N
rxn:4:214010:224811,Cc1nn(C(=O)c2ccccc2-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCOCC1,OEDGKHDKQDNIAA-UHFFFAOYSA-N
rxn:4:214022:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1C,HXVGWJNTSNHEBM-UHFFFAOYSA-N
rxn:4:214042:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,YLNCMMSVASXHJO-UHFFFAOYSA-N
rxn:4:214043:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1-c1noc(C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1,QZHVAKFWGAZGCF-UHFFFAOYSA-N
rxn:4:214047:223084,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cnc(N2CCC(O)CC2)nc1,PHHIKCCBDJZAQW-UHFFFAOYSA-N
rxn:4:214047:223501,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,HEHBRYQXEJNBIA-UHFFFAOYSA-N
rxn:4:214054:227681,COC(Cn1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cn1)OC,IIALPJUGZJDKSG-UHFFFAOYSA-N
rxn:4:214054:227804,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])CC2)C(=O)N1C1CC1,OHICVNLTIPHMQZ-UHFFFAOYSA-N
rxn:4:214058:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,PIIPUQDIQZBSAR-UHFFFAOYSA-N
rxn:4:214058:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,PIIPUQDIQZBSAR-MCZWQBSQSA-N
rxn:4:214065:223489,Cc1nn(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,FRGPDAMFBRZRPC-UHFFFAOYSA-N
rxn:4:214065:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1,VXGCZYJOEDYASG-UHFFFAOYSA-N
rxn:4:214070:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)CC1,IBDLUSZWJKFKIU-UHFFFAOYSA-N
rxn:4:214074:226366,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,TXZAYWAZOGLXMY-UHFFFAOYSA-N
rxn:4:214083:224323,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)no3)CC2)cc1C,UJLBUSJASYVPFR-UHFFFAOYSA-N
rxn:4:214109:223809,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)c(C)nn2c1C(F)(F)F,NSEUEHHOUYJOOU-UHFFFAOYSA-N
rxn:4:214135:224772,CCN(CC)S(=O)(=O)c1c(-c2ccc(C(=O)N3CCOCC3)cc2Cl)nc2n1CCOC2,RGXKFZUKPXLWGH-UHFFFAOYSA-N
rxn:4:214135:224820,CCN(CC)S(=O)(=O)c1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2n1CCOC2,WUZDRPNRIOWZKY-UHFFFAOYSA-N
rxn:4:214135:225004,CCN(CC)S(=O)(=O)c1c(-c2ccc(CN3CCC(=O)CC3)cc2)nc2n1CCOC2,NZYPBRKBSAECRY-UHFFFAOYSA-N
rxn:4:214135:225383,CCN(CC)S(=O)(=O)c1c(-c2c(C(F)(F)F)cccc2C(F)(F)F)nc2n1CCOC2,PYSYIDQGNMBVPF-UHFFFAOYSA-N
rxn:4:214145:225984,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cnc(Cl)c(N4CCOCC4)c3)c2C1,BANRFYXLJZQGFB-UHFFFAOYSA-N
rxn:4:214168:223812,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,QZEJQVHLNQZDCJ-UHFFFAOYSA-N
rxn:4:214185:223279,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C4CCCN4)nc3)c2C1,ZFKQNAWTLASLFK-UHFFFAOYSA-N
rxn:4:214185:225990,CCCCn1nc(C(F)(F)F)cc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,HJAFWQSJGHLAIX-UHFFFAOYSA-N
rxn:4:214185:226444,Cc1nc(C2CCCO2)ccc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,BILAGRDERQYKDI-UHFFFAOYSA-N
rxn:4:214185:226743,CCc1cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)cc(C(F)(F)F)n1,BYHCAUMOWCKTIJ-UHFFFAOYSA-N
rxn:4:214185:227381,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C4CCCC4)nc3)c2C1,GUJIBZVTAFTGDZ-UHFFFAOYSA-N
rxn:4:214201:223118,CCCC(=O)Nc1cccc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c1,COGICKQAYUKIKD-UHFFFAOYSA-N
rxn:4:214201:223578,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cn1)C2,ORKNJYPOJIGXGK-UHFFFAOYSA-N
rxn:4:214234:223592,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc23)CC1,KYTUWEUIKRQGKS-UHFFFAOYSA-N
rxn:4:214251:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cn4c(=O)n(Cc5ccc(F)cc5)c(=O)c5ncccc54)cc3)ccc2Cl)CC1,WZHPLPDYDRJBHI-UHFFFAOYSA-N
rxn:4:214275:223529,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc23)CC1,ITLBMXRFNTVNAA-UHFFFAOYSA-N
rxn:4:214275:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,SNMBSUUKKYKNKF-UHFFFAOYSA-N
rxn:4:214276:223040,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(=O)NC5CC5)c(F)c4)cnc3[nH]2)CC1,AKELHHRDXQWYLZ-UHFFFAOYSA-N
rxn:4:214292:224016,CN(C)S(=O)(=O)n1cc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c(-c2ccccn2)n1,HHIIKVJHNSZNLX-CEYNDMKZSA-N
rxn:4:214292:227681,COC(Cn1cc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)cn1)OC,WPJOCLQIOARDMS-CECAUBDESA-N
rxn:4:214297:223840,COc1ccc(-c2ccc(CC(=O)N3Cc4ccccc4C(c4cnn(C)c4)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,BYWZRCCTRQZEOC-UHFFFAOYSA-N
rxn:4:214304:227531,COC(=O)c1cc(F)cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1,CHQVJNALSPXRIJ-UHFFFAOYSA-N
rxn:4:214304:228716,Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1C#N,RGFRWRJIGCHBBP-UHFFFAOYSA-N
rxn:4:214350:224280,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)CC3)c2cc1C,KPDBFQVSRHYUFQ-UHFFFAOYSA-N
rxn:4:214534:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(-c4ccc([N+](=O)[O-])cc4)nc3C(F)(F)F)s2)CC1,AEUHFZFXJLMCPZ-UHFFFAOYSA-N
rxn:4:214663:222584,Cn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,XTXDYWJDWAPPDZ-UHFFFAOYSA-N
rxn:4:214705:223699,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cn2)CC1,KRXQNKNHPSNLDX-UHFFFAOYSA-N
rxn:4:214714:224397,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,IBCJIZZRXTYHJG-UHFFFAOYSA-N
rxn:4:214734:222702,O=S(=O)(C1CC1)N1CCN(c2ncc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2Cl)CC1,NQLGRWJNCGXHFN-UHFFFAOYSA-N
rxn:4:214747:224770,Cc1cc(-c2cccc(C#N)c2N2CCC(N(C)C)CC2)cc(S(=O)(=O)N2CCCC2)c1,BNFIWATYCHXRGJ-UHFFFAOYSA-N
rxn:4:214752:222546,CC(C)N1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)CC1,MGIRSENSQHKPIZ-UHFFFAOYSA-N
rxn:4:214766:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,KBNWGYLCWRHAHZ-UHFFFAOYSA-N
rxn:4:214766:225364,Cc1cc(F)c(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C,NKIWIFPHJDUXPA-UHFFFAOYSA-N
rxn:4:214829:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,IRDDCUNBQZHANY-UHFFFAOYSA-N
rxn:4:214835:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cn2)CC1,XIHHVGRULKYHIN-UHFFFAOYSA-N
rxn:4:214835:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,MNPCXYATRDCVRF-UHFFFAOYSA-N
rxn:4:214836:225294,CCN1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cn2)CC1,FNXPZMOJBYNJSC-UHFFFAOYSA-N
rxn:4:214836:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,NINFUGWFEQNRPK-UHFFFAOYSA-N
rxn:4:214837:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,YKEHVOQFDYDCPX-UHFFFAOYSA-N
rxn:4:214838:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1OCC,NRKNHANZPRNYMG-UHFFFAOYSA-N
rxn:4:214838:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cn1,QOFMYHUXYRXIFI-UHFFFAOYSA-N
rxn:4:214839:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,XMHZEDDFUQQEAM-UHFFFAOYSA-N
rxn:4:214839:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,SOPRIFKLOTUDCV-UHFFFAOYSA-N
rxn:4:214866:223696,O=C(C1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)C1)N1CCOCC1,FXCTWMXOUGDYGC-UHFFFAOYSA-N
rxn:4:214871:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cn1,ZKBRUNVVXXOPRS-UHFFFAOYSA-N
rxn:4:214875:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,UXOKNYKEWWAQCM-UHFFFAOYSA-N
rxn:4:214893:223810,Cc1ccc(N2CC(c3nc(-c4ccc(-c5cc(C)c(S(=O)(=O)N6CCC(C)CC6)c(C)c5)cc4)no3)CC2=O)c(C)c1,NJLAPJMLCPXRDL-UHFFFAOYSA-N
rxn:4:215021:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)c4ncnc(Cl)c34)c2)CC1,VIDQYLVYYBUCKN-UHFFFAOYSA-N
rxn:4:215027:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)cc2)CC1,VBSVWXMQXMQDFV-UHFFFAOYSA-N
rxn:4:215027:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnn4c3N(C(=O)OC(C)(C)C)CC4)s2)CC1,BIZFBEOZSVGRBY-UHFFFAOYSA-N
rxn:4:215054:223748,CC(C)(C)OC(=O)N1CCc2c(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)ncn2C1=O,MNZNWCOFFFSQHF-UHFFFAOYSA-N
rxn:4:215065:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2C1,HUVGDNMBNBZUIY-UHFFFAOYSA-N
rxn:4:215088:223521,COc1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)n1nnc2cc(C)ccc21,VPIPEYREVDSHQW-UHFFFAOYSA-N
rxn:4:215097:225361,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cn(C4CCCC4)nc3C(F)(F)F)n21,RVLBMKGFXCKXSO-UHFFFAOYSA-N
rxn:4:215099:222538,C[C@@H]1Cn2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2CN1C(=O)OC(C)(C)C,IJHHNDHSDUDNCZ-GOSISDBHSA-N
rxn:4:215099:224770,Cc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc(S(=O)(=O)N2CCCC2)c1,SJGKXKMQTNEULZ-QGZVFWFLSA-N
rxn:4:215102:223941,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cn2CC1,BASMCSZPKGXYAS-UHFFFAOYSA-N
rxn:4:215103:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)c1Cl,OAMJQBZELIHTIG-UHFFFAOYSA-N
rxn:4:215106:223975,Cc1nn2c(c1-c1cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc13)CN(C(=O)OC(C)(C)C)CC2,SMTBXPJAMQBDQJ-UHFFFAOYSA-N
rxn:4:215107:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnn2c1CN(C(=O)OC(C)(C)C)CCC2,PPTBCSQBBYOXCE-UHFFFAOYSA-N
rxn:4:215109:224760,Cn1nc2c(c1-c1ccc(S(=O)(=O)N3CCCCC3)cc1)CN(C(=O)OC(C)(C)C)CC2,DMVPFNWFIJSBMA-UHFFFAOYSA-N
rxn:4:215201:226686,Cc1cnn(C2CCCCO2)c1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,PPEGDNXSECBSRG-UHFFFAOYSA-N
rxn:4:215201:226721,COC(=O)c1cc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc(OC)n1,HKNYZUXZOCLJKU-UHFFFAOYSA-N
rxn:4:215214:223058,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cc(F)nc(C5CCCNC5)c4)n3C2)C1,ZWJRYXVYUYPKJM-UHFFFAOYSA-N
rxn:4:215214:223107,COc1ncc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1NS(C)(=O)=O,DQJPTEQMBVMAEY-UHFFFAOYSA-N
rxn:4:215214:224396,Cc1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)ccc1S(=O)(=O)N1CCOCC1,SVZSWSWHOHUJIR-UHFFFAOYSA-N
rxn:4:215214:228388,Cc1cnc(C(F)F)cc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,DETHKYVTIKRDKJ-UHFFFAOYSA-N
rxn:4:215219:226231,CCCCOc1ncc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)cc1C,JXVCCFLBNBKXGV-UHFFFAOYSA-N
rxn:4:215309:223931,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cccc1-2,SQQREDBMKKJANV-QFIPXVFZSA-N
rxn:4:215486:223507,CCn1nc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC2)n1,ZTRNMPKDPMGLIE-UHFFFAOYSA-N
rxn:4:215615:223669,COc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nn1C1CCCO1,VNFNCAZYVPTFAV-UHFFFAOYSA-N
rxn:4:215708:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,QUOMBAHVUWKMQO-UHFFFAOYSA-N
rxn:4:215725:223635,COc1nc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1C1CCCCO1,ZVKATGFXAPUBPJ-UHFFFAOYSA-N
rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
rxn:4:215785:223588,COc1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)nnn1C1CCCCC1,LNEUMXNVFBAYBE-UHFFFAOYSA-N
rxn:4:215848:224329,CS(=O)(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cn2)CC1,YXZINIAZNAGLBZ-UHFFFAOYSA-N
rxn:4:215852:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)ccn2)CC1,YRDQXSQOBHPIEX-UHFFFAOYSA-N
rxn:4:215897:223671,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CLCKHJJIJFGIAJ-UHFFFAOYSA-N
rxn:4:215897:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3c(C)nn(S(=O)(=O)N4CCOCC4)c3C)cc2)CC1,YSFZAXJILXEGLN-UHFFFAOYSA-N
rxn:4:215897:224775,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cnc(C(F)(F)F)c(C2CCCC2)c1,YSVHVORTXMQNPS-UHFFFAOYSA-N
rxn:4:215900:223671,CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,QYHYXWPXFJXFCV-UHFFFAOYSA-N
rxn:4:215907:222702,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cn2)CC1,CYBJSUWUBOQDOG-UHFFFAOYSA-N
rxn:4:215925:223489,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)n1,QODPGEUIPAMLCJ-UHFFFAOYSA-N
rxn:4:215967:224406,CC(C)(C)c1cc(N2CCOCC2)nc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1,FOEHHMWEKHFSSZ-UHFFFAOYSA-N
rxn:4:215970:223844,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c(N2CCC3(CC2)OCCO3)n1,DEPWKGJLODQXMV-UHFFFAOYSA-N
rxn:4:216229:223480,Cc1cc(-c2cccc(C=c3sc4nnc(-c5ccccc5)n4c3=O)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UTQHYUKIRXOTLE-UHFFFAOYSA-N
rxn:4:216252:223872,CCN(C(=O)c1cccc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c1)C1CCCCC1,UWPCPYDOBPHQLN-UHFFFAOYSA-N
rxn:4:216252:223954,CC(=O)N1CCc2c(c(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)nn2C2CCOCC2)C1,RLFXBFGSMQHGNN-UHFFFAOYSA-N
rxn:4:216252:224329,CC(=O)N1CCc2c(c(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)nn2C2CCOCC2)C1,YPGNDCZKRZDQLX-UHFFFAOYSA-N
rxn:4:216252:224672,CCN1CCN(c2ccc(-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)c(Cl)c2)CC1,BVMSUUZLRAIMLM-UHFFFAOYSA-N
rxn:4:216252:225874,CC(=O)N1CCc2c(c(-c3ccc(F)c(N4CCOCC4)c3)nn2C2CCOCC2)C1,KJYQTIYYQQUFKB-UHFFFAOYSA-N
rxn:4:216252:225994,CCSc1ncc(C(F)(F)F)cc1-c1nn(C2CCOCC2)c2c1CN(C(C)=O)CC2,QHHPMSRJXXYQPS-UHFFFAOYSA-N
rxn:4:216252:226836,CC(=O)N1CCc2c(c(-c3cn(C(C)C)nc3C(F)(F)F)nn2C2CCOCC2)C1,DBGKLFBUSBXKSD-UHFFFAOYSA-N
rxn:4:216356:222926,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCC(O)C5)nc4C)ccc2OC32CCN(C)CC2)cc1,WXNKJQKKXBABKW-UHFFFAOYSA-N
rxn:4:216356:223281,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5(O)COC5)nc4)ccc2OC32CCN(C)CC2)cc1,MIYWNSPNSBJMLN-UHFFFAOYSA-N
rxn:4:216451:223482,Cn1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C(F)(F)F)n1,LWBNISQIQVZMJA-UHFFFAOYSA-N
rxn:4:216595:223482,Cn1nc(C2CC2)nc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,VIOCAAHJSGLSCX-UHFFFAOYSA-N
rxn:4:217080:223687,CN1CCC(c2n[nH]cc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1=O,RQZBOOQIROTCPK-UHFFFAOYSA-N
rxn:4:217181:223671,Cc1cc(N2CCCCC2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,KNANOUJNSZPKHW-UHFFFAOYSA-N
rxn:4:217205:223489,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(N2CCCC(C)C2)n1,UHOLHHVDSHRONN-UHFFFAOYSA-N
rxn:4:217898:223939,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCO2)CCCC3,XDLCIAJXDSTGJW-UHFFFAOYSA-N
rxn:4:218600:223084,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(N4CCC(O)CC4)nc3)cn2)CC1,OGKUYXXBHYLDCS-UHFFFAOYSA-N
rxn:4:218620:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)CC1,MHHFTVLDFWRGGY-UHFFFAOYSA-N
rxn:4:218642:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)cc2F)CC1,MWLGZZRAEBODLH-UHFFFAOYSA-N
rxn:4:218652:223939,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cn1,KLSVYKNWGXJLGU-UHFFFAOYSA-N
rxn:4:218695:224391,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)c3C)CC2)cc1,OXJJSEVUEXNMNI-UHFFFAOYSA-N
rxn:4:218699:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cccc(-c4ccc(C#N)c(N5CCCN(C(=O)OC(C)(C)C)CC5)n4)c3)c2)CC1,ZILUSTSDQYLDDF-UHFFFAOYSA-N
rxn:4:218699:223940,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)c3)ccc2C#N)CC1,SHDXIHDAKKNFRI-UHFFFAOYSA-N
rxn:4:218704:225984,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)n[nH]2)CC1,BSVBSHHLTCGEDF-UHFFFAOYSA-N
rxn:4:218706:224404,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)c3C)CC2)cc1C,PNQYNJQHYCROJD-UHFFFAOYSA-N
rxn:4:218711:228746,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccc(C#N)c3Cl)CC2)CC1,BKUILFJJLTWMSB-UHFFFAOYSA-N
rxn:4:218711:229091,CC(=O)c1occc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,DKKIIZHLNQZASS-UHFFFAOYSA-N
rxn:4:218755:223185,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cnc(C5CNCCO5)nc4)cc3n(CC#N)c2=O)CC1,MADUCVLBBXOAJM-UHFFFAOYSA-N
rxn:4:218755:223883,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)cc3n(CC#N)c2=O)CC1,YEFHLLYEUOVPFQ-UHFFFAOYSA-N
rxn:4:218815:226619,Cc1nc(N2CCCC2)ncc1-c1cnn(CC2CN(C(=O)CN3C(=O)CCC3=O)C2)c1,OIKCRLODCVXKSC-UHFFFAOYSA-N
rxn:4:218834:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)cc2)CC1,QDPNJGWVTPQYHD-DIVCQZSQSA-N
rxn:4:218885:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c(Cl)c2)CC1,NKCIYNOLIODIMD-UHFFFAOYSA-N
rxn:4:218895:222634,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)c1F,LQIGFXUVGDLATC-UHFFFAOYSA-N
rxn:4:218919:224162,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)cn1,AAVRVNDNRCNECI-UHFFFAOYSA-N
rxn:4:218965:222947,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cnc(N2CCCC(O)C2)nc1Cl,KLHDBQJBUDZSOO-UHFFFAOYSA-N
rxn:4:218965:223788,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,YCSWRJNAAADQSQ-UHFFFAOYSA-N
rxn:4:218965:225665,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(Cl)cc1N1CCCCC1,KNOUHUWMPSTYDV-UHFFFAOYSA-N
rxn:4:218972:225313,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)s1,WFUYXTBNNDCCKN-UHFFFAOYSA-N
rxn:4:218974:223602,Cc1cc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3C#N)CC2)ccn1,ORKJILDHUMRPCG-UHFFFAOYSA-N
rxn:4:218992:225361,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)C2)CC1,DJJYBOQLRGUYMP-UHFFFAOYSA-N
rxn:4:218992:228704,CCn1nc(C)c(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1C,CICYBMDPPSBMQM-UHFFFAOYSA-N
rxn:4:219012:223933,CN(c1ncc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,RHNJDUIPCDCJCS-UHFFFAOYSA-N
rxn:4:219012:225899,Cc1cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)n(C(=O)OC(C)(C)C)n1,GPCMQJSACNKCHP-UHFFFAOYSA-N
rxn:4:219046:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,ULGBXNUSDIOTKF-UHFFFAOYSA-N
rxn:4:219128:225172,Fc1ccc(CN2CCOCC2)cc1-c1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1,WUMWEWOTJVNXGL-UHFFFAOYSA-N
rxn:4:219129:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2F)CC1,LMZMTURHHTUFMO-UHFFFAOYSA-N
rxn:4:219135:222499,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)NCc6ccccc6)ccc5C)c4)C3C2=O)cc1,QECIULVWWCOVAN-UHFFFAOYSA-N
rxn:4:219135:222817,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)NC6CC6)ccc5OC)c4)C3C2=O)cc1,XPDNRSCDFDFDTO-UHFFFAOYSA-N
rxn:4:219135:224738,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OCC6CC6)cc(C(F)(F)F)c5)c4)C3C2=O)cc1,CVYYHOPKVUJGES-UHFFFAOYSA-N
rxn:4:219135:225111,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(OCC(C)C)c5F)c4)C3C2=O)cc1,AFBUXMIDCBYTJY-UHFFFAOYSA-N
rxn:4:219135:226355,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(C6CC6)c(OC)cc5Cl)c4)C3C2=O)cc1,LTKXJMWXQPNAEV-UHFFFAOYSA-N
rxn:4:219155:225089,CCCCCOc1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)c(F)c1F,PLHUSSCFGKOLJI-UHFFFAOYSA-N
rxn:4:219203:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=N[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ABKAOLARPNDFRS-ZPBULCBRSA-N
rxn:4:219207:229321,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccoc4Cl)cc3)cs2)CC1,SEVGIBPSVSKXCN-UHFFFAOYSA-N
rxn:4:219214:223539,COc1ccc(-c2nc([N+](=O)[O-])nn2CCC(C)C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,IVLDYLLMEJEJLK-UHFFFAOYSA-N
rxn:4:219312:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)cc2F)CC1,XSSZUCUSUJMWDN-UHFFFAOYSA-N
rxn:4:219334:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2F)CC1,CPMZTEGCWQBLQE-UHFFFAOYSA-N
rxn:4:219334:223636,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)s2)CC1,OOZQYOLHZKXRMT-UHFFFAOYSA-N
rxn:4:219348:223728,CCCCCC1CCC(c2ccc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)c2)CC1,XGPWPXHNNRTPPU-UHFFFAOYSA-N
rxn:4:219369:225622,Cn1c(-c2ccccc2OC2CCCCO2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,PZWGVLZIZWPALZ-DUSLRRAJSA-N
rxn:4:219370:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,UOXDNWPHCCAXTE-UHFFFAOYSA-N
rxn:4:219370:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)C1,UQUVILDVRNHXBZ-UHFFFAOYSA-N
rxn:4:219370:224279,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)n2)C1,RDSGBRRDSJMQDN-UHFFFAOYSA-N
rxn:4:219372:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1nn[nH]c1C1CCN(C(=O)OC(C)(C)C)CC1,UNIARIGTIZANHG-UHFFFAOYSA-N
rxn:4:219373:224820,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)CC1,RNXZZVAIVFXCMS-UHFFFAOYSA-N
rxn:4:219373:225215,CC1CCN(c2nccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)n3)c2Cl)CC1,XZVJOYFYZUZKFI-UHFFFAOYSA-N
rxn:4:219373:225461,Cc1cc(N2CCCCC2)ccc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,KPWBRBKBGLHQDG-UHFFFAOYSA-N
rxn:4:219373:225833,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccnc(N4CCCCC4)c3F)n2)CC1,KCJOIZMVLUPZPX-UHFFFAOYSA-N
rxn:4:219381:226744,CCc1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)cnc1C(F)(F)F,QGMLWOVTHAGJNI-UHFFFAOYSA-N
rxn:4:219389:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccnc5)C4)nc3)cc2C)CC1,JTBOORGXPCQUDK-UHFFFAOYSA-N
rxn:4:219403:225952,Cc1nc(N2CCOCC2)ncc1-c1cnn(CC2CN(C3CCN(C4CC4)C3=O)C2)c1,QAKHOHLSXCEDPR-UHFFFAOYSA-N
rxn:4:219407:225877,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,HOWKDUFROFCZIS-UHFFFAOYSA-N
rxn:4:219411:222634,Cc1cc(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)nn1C,YORXGUQKFWFVSS-UHFFFAOYSA-N
rxn:4:219452:223575,Cc1nc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,BQJRFBWUVNQGIL-UHFFFAOYSA-N
rxn:4:219452:226444,Cc1nc(-c2ccc(C3CCCO3)nc2C)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,TUYUTUOCPROMNV-UHFFFAOYSA-N
rxn:4:219453:224760,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)C2)C1=O,IGMIEKHXMOQUSG-UHFFFAOYSA-N
rxn:4:219453:226587,CC(C)N1CCC(N2CC(Cn3cc(-c4cnc(OC5CCC5)cc4F)cn3)C2)C1=O,TYTYBEKXBKIQHL-UHFFFAOYSA-N
rxn:4:219454:225634,Cc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cnc1N1CCCCC1,KLJZCVOCTFDNSC-UHFFFAOYSA-N
rxn:4:219455:227279,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc(C3CC3)nn2C(C)C)n[nH]1,OGTWIOSFRNACRR-UHFFFAOYSA-N
rxn:4:219469:224397,CSc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,AXOFDUWDUDQVRV-UHFFFAOYSA-N
rxn:4:219489:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)n(C(=O)OC(C)(C)C)c12,WWNOHNRDKZDPKU-UHFFFAOYSA-N
rxn:4:219529:222584,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,AYFSFESNLKSQNY-UHFFFAOYSA-N
rxn:4:219531:222418,CSc1ncc(-c2ccc(S(N)(=O)=O)cc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,ZUAJZPXWNHYNME-UHFFFAOYSA-N
rxn:4:219533:223167,CSc1ncc(-c2ccnc(N3CCNCC3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,PSRZXNUKKVEVAV-UHFFFAOYSA-N
rxn:4:219533:223505,CSc1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,JJNBNABSPVOUOF-UHFFFAOYSA-N
rxn:4:219653:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)c(Cl)c1,AFZPMIYQZFJTFC-UHFFFAOYSA-N
rxn:4:219687:225979,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cc32)CC1,BYRAHAQZAVWWDH-UHFFFAOYSA-N
rxn:4:219688:224160,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cn3n2)CC1,QTDUTILODJFOBI-UHFFFAOYSA-N
rxn:4:219688:225634,Cc1cc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)cnc1N1CCCCC1,BCIWYHHFGZHGTL-UHFFFAOYSA-N
rxn:4:219691:222799,Cc1cc(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)ccc1S(=O)(=O)NC(C)(C)C,SFDCZPJPAGDAEE-UHFFFAOYSA-N
rxn:4:219691:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnn4c(Cl)cc(C5CCCN(C(=O)OC(C)(C)C)C5)nc34)c(F)cn2)CC1,PZWUVWJWDOWSHH-UHFFFAOYSA-N
rxn:4:219692:226714,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnn3C(=O)OC(C)(C)C)c3cnc(Cl)nc32)CC1,VYYSBZVXENOACF-UHFFFAOYSA-N
rxn:4:219704:223003,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cc3n2)CC1,WAXDOAZEDWRITN-UHFFFAOYSA-N
rxn:4:219704:224157,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cc3n2)CC1,FGJDSUWNMWLKHU-UHFFFAOYSA-N
rxn:4:219704:225177,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(CN5CCSCC5)c(F)c4)cc3n2)CC1,FNLAIVOTKVZTPD-UHFFFAOYSA-N
rxn:4:219706:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc(C(F)(F)F)c2)CC1,VCHWGJQHRJKHHJ-UHFFFAOYSA-N
rxn:4:219710:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)c1,BJWWUYOCJNEASN-UHFFFAOYSA-N
rxn:4:219710:223526,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)c(C)c4)C3C2=O)c1,KNPLJUZWXQJBHM-UHFFFAOYSA-N
rxn:4:219832:224018,COCn1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)nc1N1CCOCC1,BNXNOYSDHDVMMP-UHFFFAOYSA-N
rxn:4:219844:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCN(CC(F)(F)F)CC2)nc1,GJMQEVWXQDEBQD-UHFFFAOYSA-N
rxn:4:219880:224658,CSc1ncc(-c2ccc(N3CCN(C(C)=O)CC3)cc2)c(N2CCN(S(C)(=O)=O)CC2)n1,BDKIBTJHYVLCQP-UHFFFAOYSA-N
rxn:4:219880:224685,CSc1ncc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,FFTJDRMGPPQDOU-UHFFFAOYSA-N
rxn:4:219880:224810,CSc1ncc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HVFSBXSHFUGNEC-UHFFFAOYSA-N
rxn:4:219880:225344,CSc1ncc(-c2cc(C(F)(F)F)cnc2OC(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,ILWUXEZJDRLQLC-UHFFFAOYSA-N
rxn:4:219892:223636,CC(=O)N(C)C1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,RQYZGQKAXBXBAJ-UHFFFAOYSA-N
rxn:4:219909:223650,Cn1cnc(N2CCC(Oc3ccncc3-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1=O,LPMGLVKUKBKOHK-UHFFFAOYSA-N
rxn:4:219955:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,RCFRFZNUBLBSMD-UHFFFAOYSA-N
rxn:4:219955:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1F,BUZBXTGQMWAIKF-UHFFFAOYSA-N
rxn:4:219959:224323,Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,ORWPFISRJUUCFK-UHFFFAOYSA-N
rxn:4:220034:224830,CC(C)CC(=O)N1CCn2nc(-c3cc(C(F)(F)F)nn3C3CCCCO3)nc2C1,UBVDMPJFAOFTIR-UHFFFAOYSA-N
rxn:4:220038:224396,Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)ccc1S(=O)(=O)N1CCOCC1,NFPFBEZFELIRRQ-UHFFFAOYSA-N
rxn:4:220039:224129,CN(C(=O)c1cccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c1)C1CCCCC1,QJRDEBCGEYEWCW-UHFFFAOYSA-N
rxn:4:220069:224826,CCOC(=O)c1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cnc1C(F)(F)F,CNNNDUMPHBVAGY-UHFFFAOYSA-N
rxn:4:220070:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1nc2n(n1)CCCN(C(=O)OC(C)(C)C)C2,ZMQOCQDBUOUFLZ-UHFFFAOYSA-N
rxn:4:220070:224754,CC(C)(C)OC(=O)N1CCCn2nc(-c3ccccc3S(=O)(=O)N3CCCCC3)nc2C1,KVFOSXBYKQDNJH-UHFFFAOYSA-N
rxn:4:220393:223532,CC(=O)N1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YWYDSXQONZSXHK-UHFFFAOYSA-N
rxn:4:220421:223521,CC(c1cccc(-c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NOWMXNMKAYDQSR-UHFFFAOYSA-N
rxn:4:220421:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2)CC1,CVVLWLXBBCOFQP-UHFFFAOYSA-N
rxn:4:220491:223957,CC(C)(C)C(=O)N1CCn2nc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)nc2C1,MYEIZLZUBHGHJI-UHFFFAOYSA-N
rxn:4:220497:222426,CC(C)Cn1c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)nc2c1c(=O)n(C)c(=O)n2C,JXKZFBKSPQEXPC-UHFFFAOYSA-N
rxn:4:220819:223697,Cc1nc(N2CCN(C)CC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,HCWJBZJPBAMDQK-UHFFFAOYSA-N
rxn:4:221076:223542,CN1CCN(S(=O)(=O)c2cc(-c3nnc4n3CCN(C)C4)ccc2OC(F)(F)F)CC1,YLLUVBALZBKZLS-UHFFFAOYSA-N
rxn:4:221079:223541,Cn1c(=O)c2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)n(C)c2n(C)c1=O,FUCOOMWYUTYCCT-UHFFFAOYSA-N
rxn:4:221100:224759,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,ZTPBPIVDVGXDBE-UHFFFAOYSA-N
rxn:4:221114:223994,CCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GCVNHJPGFLIBMD-UHFFFAOYSA-N
rxn:4:221152:223602,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,FVUHFRJRRJZAJZ-UHFFFAOYSA-N
rxn:4:221170:223595,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)nc1,QOYJCVZVZRZNCS-UHFFFAOYSA-N
rxn:4:221173:223595,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,AYSNWDPSBNCYCX-UHFFFAOYSA-N
rxn:4:221180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1C,ASABNFSFNPWBSI-UHFFFAOYSA-N
rxn:4:221182:225830,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(N5CCCCC5)nc4C)cn3)CC2)C1=O,JYIGYZGRCABPAA-UHFFFAOYSA-N
rxn:4:221186:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc1,SYIJJZRUNYBMQD-UHFFFAOYSA-N
rxn:4:221186:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cc2)CC1,LLBIZNZPAUQXFA-UHFFFAOYSA-N
rxn:4:221198:222584,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)nn1,NMNHRHCHGSCLMW-UHFFFAOYSA-N
rxn:4:221207:223841,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)CC2)n1,GZXIFLCWPZDUJL-UHFFFAOYSA-N
rxn:4:221209:223999,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)CC2)n1,QTEHSCWANZXDJN-UHFFFAOYSA-N
rxn:4:221249:223812,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cnn4c3)cc2)CC1,YDUSEPKBJQLSTE-UHFFFAOYSA-N
rxn:4:221249:224160,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc6c(c5)CCN6C(=O)OC(C)(C)C)cnn4c3)cc2)CC1,UYTNZDBXMMHRSV-UHFFFAOYSA-N
rxn:4:221363:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nccc(C)n3)C2)nc1,UUEKQMXQCLNZFC-UHFFFAOYSA-N
rxn:4:221388:224326,Cc1cc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)nc(C)n1,ARFFFDBAVWBCRC-UHFFFAOYSA-N
rxn:4:221406:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(c5cc(N(C)C)ncn5)CC4)c3)cc2)CC1,AIQKIFUROWDZEK-KWQFAZJVSA-N
rxn:4:221421:222630,O=C(c1cccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,MMQDWBSTWRXGND-UHFFFAOYSA-N
rxn:4:221422:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,PJOVHPVFBFJDDQ-UHFFFAOYSA-N
rxn:4:221425:224155,CN1CCN(c2cc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)cc(C3CC3)c2)CC1,MCGSPMWCPOHDAV-UHFFFAOYSA-N
rxn:4:221426:225877,Clc1ccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c(N2CCOCC2)c1,UECVONQCTPQIBH-UHFFFAOYSA-N
rxn:4:221431:226792,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cnc(N4CCOCC4)nc3)CC2)n1,XKJMGXPILUCWAM-UHFFFAOYSA-N
rxn:4:221442:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)c2)CC1,XNMPVMYSHZFAPO-UHFFFAOYSA-N
rxn:4:221447:223136,Cc1cc(N2CCN(Cc3ccc(-c4ccncc4C4CCCNC4)cc3)CC2)nc(N2CCOCC2)n1,WMPDQQRGJQCLHA-UHFFFAOYSA-N
rxn:4:221447:224155,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cc3)CC2)nc(N2CCOCC2)n1,BUMQIGRLGOEQJD-UHFFFAOYSA-N
rxn:4:221448:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,YHUOVBAHKMGASR-UNWRIRMBSA-N
rxn:4:221498:222546,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c23)CC1,DUCITQNOCOFSGV-UHFFFAOYSA-N
rxn:4:221572:225975,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,MDCFHUSIZCVORS-UHFFFAOYSA-N
rxn:4:221596:224327,COCn1nc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)nc1N1CCN(C)CC1,RRGKQWDCKMLAHN-UHFFFAOYSA-N
rxn:4:221614:225361,COCn1nc(-c2cn(C3CCCC3)nc2C(F)(F)F)nc1N1CCCN(C)CC1,KSEWPWURYIJEDO-UHFFFAOYSA-N
rxn:4:221640:223999,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cn3)CC2)n1,GFPWUZYAQUPTCZ-UHFFFAOYSA-N
rxn:4:221641:222584,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YODCNDQEJUMQDV-UHFFFAOYSA-N
rxn:4:221645:224720,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc2)c(C2CC2)n1,RQQJVCGNIUTFKY-UHFFFAOYSA-N
rxn:4:221723:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cn2)CC1,ZYJQICQDVVBZFE-UHFFFAOYSA-N
rxn:4:221730:223649,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,WQRCXGFHYCJHHQ-UHFFFAOYSA-N
rxn:4:221749:223777,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc6c(c5F)CCN(C(=O)OC(C)(C)C)C6)cc4)c(=O)n(C)c3nc2n1C(C)C,YVFLJMAUTCBLBI-UHFFFAOYSA-N
rxn:4:221752:222546,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2)n(C)c1=O,DPGMEAJAKFXJMC-UHFFFAOYSA-N
rxn:4:221937:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cn(C)nn5)CC4)nc3)c(Cl)c2)CC1,UXADFSRQQPCOFQ-UHFFFAOYSA-N
rxn:4:221938:223812,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)nn1,IFRPPMUCEFVEMT-UHFFFAOYSA-N
rxn:4:221976:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(OC)cc6)C(=O)C54)n3)c2)c1,WCJBHGFFFDLDJM-UHFFFAOYSA-N
rxn:4:221978:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)ccc21,MBUWYDXAQVSZGS-UHFFFAOYSA-N
rxn:4:221980:222426,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc6c(c5)C5(CCN(C(=O)OC(C)(C)C)CC5)C(=O)N6)c4)sc3n2)CC1,YVYZZKUWVBGNIY-UHFFFAOYSA-N
rxn:4:221985:223490,Cc1ccc(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XYEFOABWMVBOND-HHHXNRCGSA-N
rxn:4:222034:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)cc3)ccn2)CC1,JUYJCQGOJAHNJR-UHFFFAOYSA-N
rxn:4:222039:227800,O=C(c1cc(-c2cc(F)nc(C(F)(F)F)c2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,VWDMEZFSTGBVNR-UHFFFAOYSA-N
rxn:4:222053:223608,CCc1cc(N2CCN(c3ncc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cn3)CC2)nc(C(C)(C)C)n1,HRPVKASCZUYIBP-UHFFFAOYSA-N
rxn:4:222053:224391,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cn3)CC2)nc(C(C)(C)C)n1,BQPGAFIHTQSDQZ-UHFFFAOYSA-N
rxn:4:222056:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)nc1,XGWRGHGBTPVQAP-UHFFFAOYSA-N
rxn:4:222060:223945,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cc4)CC3)nn2)c(C)c1C,CHEBHGNOACXNTK-UHFFFAOYSA-N
rxn:4:222060:224100,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5OCCN5CCC(C)CC5)cc4)CC3)nn2)c(C)c1C,BVYJLRSNSOCWMG-UHFFFAOYSA-N
rxn:4:222113:223812,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)c2=O)CC(C)O1,YZSAAPDGJQYZFJ-UHFFFAOYSA-N
rxn:4:222122:224321,Cc1nnc2ccc(N3CC4CN(C(=O)Cc5ccccc5-c5cccc(S(=O)(=O)N6CCC(C)CC6)c5)CC4C3)nn12,DUWRZBFIAFMZDX-UHFFFAOYSA-N
rxn:4:222122:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccccc1CC(=O)N1CC2CN(c3ccc4nnc(C)n4n3)CC2C1,KXCGELQCTMAERQ-UHFFFAOYSA-N
rxn:4:222124:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)c(F)c2)CC1,ORXZSCDSYZWLHJ-UHFFFAOYSA-N
rxn:4:222165:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)nc1,CWAZMHQCFMYFMK-UHFFFAOYSA-N
rxn:4:222168:225320,Fc1c(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)ccc(N2CCOCC2)c1F,SVTRMERRGNQVNZ-UHFFFAOYSA-N
rxn:4:222189:224394,Cc1ccc(-c2ccc(C(=O)N3CCCN(c4ccc5nnc(C)n5n4)CC3)o2)cc1S(=O)(=O)N1CCOCC1,MLRSMRNHFAIXNJ-UHFFFAOYSA-N
rxn:4:222194:222947,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5cnc(N6CCCC(O)C6)nc5Cl)cn4)CC3)n1)CCC2,OYCDEGXKTDLSFU-UHFFFAOYSA-N
rxn:4:222194:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2Cl)CC1,LZISOCPXAHDCLX-UHFFFAOYSA-N
rxn:4:222228:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c(Cl)c2)CC1,BVJNUIGHVQUXFR-UHFFFAOYSA-N
rxn:4:222329:223992,Cc1ccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,SWGXWSWOZCDTPZ-UHFFFAOYSA-N
rxn:4:222331:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2F)CC1,VPCZLELPAQGDEK-UHFFFAOYSA-N
rxn:4:222332:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,VMGPVVUDDRVTIL-UHFFFAOYSA-N
rxn:4:222364:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)c(C(F)(F)F)c1,FNXICJZHLZCIOB-UHFFFAOYSA-N
rxn:4:222393:178564,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc3oc(=O)c(C(=O)OC4CCCCC4)cc3c2)c1,DVSDNPFYOMTXHA-YHBQERECSA-N
rxn:4:222393:189207,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(Cl)c(C(=O)ON3C(=O)CCC3=O)c2)c1,PFCLVBNIGBFLPJ-IYARVYRRSA-N
rxn:4:222394:174837,COc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cc1OS(=O)(=O)C(F)(F)F,DGERQHOFWOVWAX-QAQDUYKDSA-N
rxn:4:222394:187127,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)cc1,MOPDMSYXDROKMN-YHBQERECSA-N
rxn:4:222394:194370,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2cccc3c2CN(C(=O)C(F)(F)F)CC3)cc1,IZNVZYXQHCLYII-WGSAOQKQSA-N
rxn:4:222612:216252,CC(=O)N1CCc2c(c(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)nn2C2CCOCC2)C1,QTNPYLAWDVRBQL-UHFFFAOYSA-N
rxn:4:222722:189944,O=S(=O)(Cc1cccc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1)N1CCOCC1,WEDASPCFWUFCPB-UHFFFAOYSA-N
rxn:4:222750:204046,O=C(NCc1ccco1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,SBKLDBLRZAVNOS-UHFFFAOYSA-N
rxn:4:223083:216356,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)C5)nc4C)ccc2OC32CCN(C)CC2)cc1,QAQQOVCLFVSUDH-UHFFFAOYSA-N
rxn:4:223541:205331,COC(=O)c1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)nc1C,HEUNJUIKKJPVFK-UHFFFAOYSA-N
rxn:4:223541:205468,COC(=O)c1nn(C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1C,HOEZWOFESGUDMZ-UHFFFAOYSA-N
rxn:4:223591:218471,CN1CCn2nc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2C1=O,FQNTYBVRSVIKMC-UHFFFAOYSA-N
rxn:4:223811:174189,CCOC(C)(OCC)c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1,WRAXTXUFXBQRPO-UHFFFAOYSA-N
rxn:4:223940:175354,CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c1,KDYOLZVWYAUCFJ-PKOBYXMFSA-N
rxn:5:176855:225436:225466,COC(=O)c1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(CN3CCCCC3)cc2)cc1OC,DRCURDWXQGYLHU-UHFFFAOYSA-N
rxn:5:176863:225832:226084,COC(=O)c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc(OC)c1-c1ccc2c(c1)C(=O)CCCC2,KQHUTYSOJHBXEK-UHFFFAOYSA-N
rxn:5:176870:227766:225832,CCn1nc(C(F)(F)F)cc1-c1cc(OC)c(C(=O)OC)c(-c2c(C)nn(C3CCCCO3)c2C)c1,FRAABSIFVKFIDM-UHFFFAOYSA-N
rxn:5:176871:225514:226029,CCOc1c(F)c(F)c(-c2cc(C(=O)OC)c(-c3cccc4c3OCC3(CC3)CO4)cc2OC)c(F)c1F,IVKDZQHOVYHVCN-UHFFFAOYSA-N
rxn:5:177190:225452:226052,CCS(=O)(=O)Cc1ccc(-c2c(F)ccc(OC(F)(F)F)c2F)c(-c2ccc(OC3C=CCCC3)cc2)c1,HAFGQUYFLILWPU-UHFFFAOYSA-N
rxn:5:177447:225448:225499,COc1cc(-c2cc(C)ccc2OC2CCCC2)cc(-c2ccc(C3CCCCC3)cc2F)c1OC(C)C,YBNGMISJVLVUSM-UHFFFAOYSA-N
rxn:5:177730:226426:225809,CC1CCN(c2ccc(-c3ccc(-c4cc(F)ccc4OC4CCOC4)c(C(=O)OC(C)(C)C)c3)s2)CC1,JWHBIPJCETWJBZ-UHFFFAOYSA-N
rxn:5:177731:225982:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cnc(N2CCOCC2)cc1F,VUXQZNYIRHOJMM-UHFFFAOYSA-N
rxn:5:177733:223061:226366,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)cc(-c2cc(C3CCNCC3)ncc2F)c1,FUBLVZIEKJXRCP-UHFFFAOYSA-N
rxn:5:177736:223065:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCNCC3)cc2F)c1,AUIGFZINWALBEM-UHFFFAOYSA-N
rxn:5:177736:225833:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)c(-c2ccnc(N3CCCCC3)c2F)c1,VJJRMFMDKZWXSJ-UHFFFAOYSA-N
rxn:5:177739:226663:223056,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCSCC3)nc2)c1-c1ccc(N2CCC(O)CC2)nc1,XMKLEHVGEVIJAS-UHFFFAOYSA-N
rxn:5:177850:223010:225407,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,TZWXRAYCLBFKMS-UHFFFAOYSA-N
rxn:5:177850:223010:226064,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCCCC2)cc1,QWIJGLLIKXDQIY-UHFFFAOYSA-N
rxn:5:177850:223010:226069,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(C2CCCCC2)c1,FTOJTVVSHHYRJW-UHFFFAOYSA-N
rxn:5:177850:223202:222959,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)c(C)c1,PYHRHWUCCNSOIH-UHFFFAOYSA-N
rxn:5:177850:223203:225407,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,YPIHLLUZVHHXQK-UHFFFAOYSA-N
rxn:5:177850:225394:223203,CCOc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,LSOMFNRCRVUNHZ-UHFFFAOYSA-N
rxn:5:177850:225407:223010,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,MKPUNLWTEVKHRO-UHFFFAOYSA-N
rxn:5:177850:225447:225679,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCCC2)cc1F,NVXGRTFWRCDAAZ-UHFFFAOYSA-N
rxn:5:177850:225515:223202,CCOc1ccc(-c2cccc3c2OCC(C)(C)CO3)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,PMCAZHHGIWLUEN-UHFFFAOYSA-N
rxn:5:177850:225515:223203,CCOc1ccc(-c2cccc3c2OCC(C)(C)CO3)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,QOTJGLUMYYWYLE-UHFFFAOYSA-N
rxn:5:177850:226064:223010,CCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,CTXOJSBVZDYXDW-UHFFFAOYSA-N
rxn:5:177850:226069:225498,CCOc1ccc(-c2cccc(C3CCCCC3)c2)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,VXZZFKUATNKNFR-UHFFFAOYSA-N
rxn:5:177850:226186:223010,CCOc1ccc(-c2ccccc2C2CCOCC2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,ANDOTBDEGXAOAZ-UHFFFAOYSA-N
rxn:5:177850:226763:226778,CCOc1ccc(-c2cc(F)c(C(=O)OC)c(F)c2)c(C2OCCO2)c1-c1cc(OC)c(OC)c(F)c1F,PITQCEFSJYHFAQ-UHFFFAOYSA-N
rxn:5:177850:226974:223010,CCOc1ccc(-c2ccc3c(c2)COC3(C)C)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,NDUFJUAVPAGHLX-UHFFFAOYSA-N
rxn:5:177850:227449:223010,CCOc1ccc(-c2ccc(C3CCOCC3)s2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,DXRORSDTSZONMI-UHFFFAOYSA-N
rxn:5:177851:223010:227126,CCOc1c(-c2ccc(C3CCOC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2(O)CCOCC2)cc1,SPFDLQDZMYGPPG-UHFFFAOYSA-N
rxn:5:177851:226744:227766,CCOc1c(-c2cnc(C(F)(F)F)c(CC)c2)cc(C2OCCO2)cc1-c1cc(C(F)(F)F)nn1CC,LNULNHIDUWUCSS-UHFFFAOYSA-N
rxn:5:177891:222994:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(N2CCC(O)CC2)c1,MKRQILPQRMAMQG-UHFFFAOYSA-N
rxn:5:177891:222995:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1cccc(N2CCCC(O)C2)c1,CHDYJIKOYVWHSW-UHFFFAOYSA-N
rxn:5:177891:223436:225817,CNc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C(F)(F)F)c(C3CC3)c2)c(F)n1,IATPNTJVCREYPU-UHFFFAOYSA-N
rxn:5:177891:226774:227203,O=C(SC1CS(=O)(=O)CC1c1ccc2c(c1)OCCCO2)c1ccccc1-c1ccc(OC(F)=C(F)F)cc1,UKHVSFYCLNHBOA-UHFFFAOYSA-N
rxn:5:177891:226774:228079,O=C(SC1CS(=O)(=O)CC1c1cccc2c1COC2=O)c1ccccc1-c1ccc(OC(F)=C(F)F)cc1,KCANWOMQCHNOHO-UHFFFAOYSA-N
rxn:5:177891:226835:229080,CC(C)n1nc(C(F)(F)F)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnc(C2CC2)s1,JFVDEQUHPAHWGR-UHFFFAOYSA-N
rxn:5:177891:226900:225616,O=C(SC1CS(=O)(=O)CC1c1ccccc1C(=O)N1CCCC1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,NBTBFBAJWBJLMV-UHFFFAOYSA-N
rxn:5:177891:226900:228407,COc1ccc(F)c(F)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,ITARTGNDBFIANQ-UHFFFAOYSA-N
rxn:5:177891:226901:226333,O=C(SC1CS(=O)(=O)CC1c1cccc(C(=O)N2CCC2)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,DYCRPDYWBNWVGR-UHFFFAOYSA-N
rxn:5:177891:226901:227080,O=C(SC1CS(=O)(=O)CC1c1cccc(N2CCCC2)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,STWSQWOGZPQCGS-UHFFFAOYSA-N
rxn:5:177891:227800:227680,O=C(SC1CS(=O)(=O)CC1c1cccc2c1OC(F)(F)O2)c1ccccc1-c1cc(F)nc(C(F)(F)F)c1,XNYNFJRBVGGHNO-UHFFFAOYSA-N
rxn:5:177971:225453:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cccc(SC3CCCCC3)c2)cc1OCC1CCCC1,UECNYYAXUYNKQK-UHFFFAOYSA-N
rxn:5:178117:226757:226050,Cc1cc(-c2ccc(-c3c(F)cc(OC(F)(F)F)cc3F)c(OCC3CCOCC3)c2)ccc1OC(F)(F)F,NSNIDNSUSCJNSU-UHFFFAOYSA-N
rxn:5:178118:225394:227587,COc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCCO3)c2)cc(F)c1OC,HGJBGYVJDKVLNE-UHFFFAOYSA-N
rxn:5:178121:225976:227780,O=[N+]([O-])c1ccc(F)c(-c2cccc(OCC3CCOCC3)c2-c2ccnc(N3CCOCC3)c2F)c1F,HPKZMHPFBNPIRT-UHFFFAOYSA-N
rxn:5:178122:223010:225498,OC1(c2ccc(-c3ccc(COC4CCCCO4)c(-c4cc(C5CCCCC5)ccc4F)c3)cc2)CCOCC1,IWMFSPMMVLZIKU-UHFFFAOYSA-N
rxn:5:178122:225407:227540,COc1c(F)cc(SC)cc1-c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1COC1CCCCO1,CEYXXYTXYVIVIH-UHFFFAOYSA-N
rxn:5:178122:225446:227561,COc1cc(F)c(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2COC2CCCCO2)cc1OC,XECCVILOZIBWOO-UHFFFAOYSA-N
rxn:5:178122:225498:227561,COc1cc(F)c(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2COC2CCCCO2)cc1OC,POLYBQAUWXMVLB-UHFFFAOYSA-N
rxn:5:178122:225514:227361,COc1cc(-c2cc(-c3cccc4c3OCC3(CC3)CO4)ccc2COC2CCCCO2)c(OC)cc1C,QHNCILRUNUSROG-UHFFFAOYSA-N
rxn:5:178122:225810:227205,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cccc4c3OCCCO4)c2)c(C2OCCO2)c1,BSMZHZQXODUHQM-UHFFFAOYSA-N
rxn:5:178122:226464:226069,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc(C4CCCCC4)c3)c1)OCCO2,JEYRFTTUVYRCAN-UHFFFAOYSA-N
rxn:5:178122:226464:226085,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc4c(c3)CCC(C)(C)O4)c1)OCCO2,KDFPDKXSSKYJII-UHFFFAOYSA-N
rxn:5:178122:226778:225453,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cccc(SC4CCCCC4)c3)c2)c(F)c(F)c1OC,VNEDRXKNCFZTEQ-UHFFFAOYSA-N
rxn:5:178122:227561:225446,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3cc(C)cc(OC4CCCC4)c3)c2)cc1OC,BONJCMVJPIANKK-UHFFFAOYSA-N
rxn:5:178122:227574:225453,COc1c(F)ccc(-c2ccc(COC3CCCCO3)c(-c3cccc(SC4CCCCC4)c3)c2)c1OC,PHCGWLQUJWPPIA-UHFFFAOYSA-N
rxn:5:178225:227569:225925,COc1ccc(F)c(OC)c1-c1cccc(OCC2CCCCC2)c1-c1cc(S(=O)(=O)N(C)C)ccc1C,KKHUFYQQEDYMSN-UHFFFAOYSA-N
rxn:5:178226:225446:227587,COc1cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C)cc(OC3CCCC3)c2)cc(F)c1OC,DKRJPKOZGNLINQ-UHFFFAOYSA-N
rxn:5:178295:227611:227680,COC(=O)C1(c2cc(-c3cccc4c3OC(F)(F)O4)ccc2-c2ccnn2C2CCCCO2)CCC(=O)CC1,HEGYMXDXADFUSY-UHFFFAOYSA-N
rxn:5:178295:228653:228497,COC(=O)C1(c2cc(-c3ccnn3CC(F)(F)F)ccc2-c2cnn3c2CCCC3)CCC(=O)CC1,UASXUZNQRYUMAP-UHFFFAOYSA-N
rxn:5:178314:226918:225809,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cc(F)ccc1OC1CCOC1,CNIUXEMGZFNVKU-UHFFFAOYSA-N
rxn:5:178315:222989:223203,Cc1cc(N2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(C3(O)CCC3)c2)c1,HDRJRGKRXLQKIG-UHFFFAOYSA-N
rxn:5:178368:227361:225407,COc1cc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4ccc(C5CCCCCC5)cc4)c(C)c3)cc2C)c(OC)cc1C,YPEGTTYMGWNYDN-UHFFFAOYSA-N
rxn:5:178466:225833:225982,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,XXCYFBHTKMRGAT-UHFFFAOYSA-N
rxn:5:178466:225976:225980,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,BHEJNCXWMHVNHA-UHFFFAOYSA-N
rxn:5:178466:225980:223056,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,JRCXNKKBNBIWFQ-UHFFFAOYSA-N
rxn:5:178467:223062:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,PCEPRETXQJUKPC-UHFFFAOYSA-N
rxn:5:178467:223141:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,RBKXHRZBHHUADE-UHFFFAOYSA-N
rxn:5:178467:225834:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,ILQCSNITICVNJS-UHFFFAOYSA-N
rxn:5:178467:225976:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,XPTARJIBDDIFJG-UHFFFAOYSA-N
rxn:5:178467:225980:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,ACWSBUNRXYKUCJ-UHFFFAOYSA-N
rxn:5:178467:226794:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,GIJNFUDDDRBDMM-UHFFFAOYSA-N
rxn:5:178467:226966:226760,CCOC(=O)C1=Cc2cc(-c3cc(F)c(F)c(C(=O)OC)c3)cc(-c3ccc4c(c3)C(=O)CCC4)c2OC1,GJJNFCYLIMNQAQ-UHFFFAOYSA-N
rxn:5:178467:227376:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,UGELEJUJNJMDQB-UHFFFAOYSA-N
rxn:5:178467:227419:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccc(C4CCC4)nc3F)c2OC1,VHNQMDFGQHDEPP-UHFFFAOYSA-N
rxn:5:180021:223010:225451,COc1c(-c2ccc(SC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2(O)CCOCC2)cc1,NBALYOVIHDGHOB-UHFFFAOYSA-N
rxn:5:180021:225988:226778,COc1cc(-c2cc(C3OCCO3)cc(-c3c(F)cc(C4OCCO4)cc3F)c2OC)c(F)c(F)c1OC,LLMWYSIOHFNWIP-UHFFFAOYSA-N
rxn:5:180022:222982:225810,COc1ccc(-c2ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C3OCCO3)c2OC)c(C2OCCO2)c1,ZCWSPGNHGQQBRW-JOCHJYFZSA-N
rxn:5:180022:223010:223131,COc1c(-c2ccc(N3CCNCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,PXDXQZYZNVTQSV-UHFFFAOYSA-N
rxn:5:180022:223010:225407,COc1c(-c2ccc(C3CCCCCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,MIIDWOZIRBNUNV-UHFFFAOYSA-N
rxn:5:180022:223010:225515,COc1c(-c2cccc3c2OCC(C)(C)CO3)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,NQPMYYRRJJZJBE-UHFFFAOYSA-N
rxn:5:180022:223010:226085,COc1c(-c2ccc3c(c2)CCC(C)(C)O3)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,KJXRCRLRERHHTP-UHFFFAOYSA-N
rxn:5:180022:223010:226185,COc1c(-c2ccc(C3CCOCC3)cc2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,QOXSDJAJEKBWDY-UHFFFAOYSA-N
rxn:5:180022:223010:226186,COc1c(-c2ccccc2C2CCOCC2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,NQZRLIDUXWZJBA-UHFFFAOYSA-N
rxn:5:180022:223010:226187,COc1c(-c2cccc(C3CCOCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,WGYNCNPLZXCONB-UHFFFAOYSA-N
rxn:5:180022:223130:225810,COc1ccc(-c2ccc(-c3ccc(CN4CC(O)C4)cc3)c(C3OCCO3)c2OC)c(C2OCCO2)c1,XDSPTQFDFDHVIP-UHFFFAOYSA-N
rxn:5:180022:225407:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,COYPEXBIUGPLSX-UHFFFAOYSA-N
rxn:5:180022:225498:225498,COc1c(-c2cc(C3CCCCC3)ccc2F)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,KEDRXYWETUYCRO-UHFFFAOYSA-N
rxn:5:180022:225498:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,NWOQOPOCFUXZFU-UHFFFAOYSA-N
rxn:5:180022:225499:225498,COc1c(-c2cc(C3CCCCC3)ccc2F)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,GXIWGOGCKSXOEV-UHFFFAOYSA-N
rxn:5:180022:225672:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)ccc(-c2cc(F)nc(C3CCCCC3)c2)c1C1OCCO1,NHXNLNDVXPECDN-UHFFFAOYSA-N
rxn:5:180022:226085:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc3c(c2)CCC(C)(C)O3)c1C1OCCO1,VNYNLJAZUYEOEO-UHFFFAOYSA-N
rxn:5:180022:226185:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCOCC3)cc2)c1C1OCCO1,LDRVQUZBKKRGAU-UHFFFAOYSA-N
rxn:5:180022:226187:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cccc(C3CCOCC3)c2)c1C1OCCO1,OJSCXRSXCFJONY-UHFFFAOYSA-N
rxn:5:180092:223065:225834,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cc(N3CCCCC3)ncc2F)c1,KCVINCABIYTLJM-UHFFFAOYSA-N
rxn:5:180297:226037:223389,COc1cc(-c2ccc(C(F)(F)F)c(OC)c2F)c(C2(C)OCCO2)cc1-c1c(C)n[nH]c1C(F)(F)F,RNXJWBGZJQOGOC-UHFFFAOYSA-N
rxn:5:180297:226573:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C2(C)OCCO2)c(-c2cnc(OC(C)(C)C)nc2C)cc1OC,CLJVOKPVVBCHFU-UHFFFAOYSA-N
rxn:5:180297:226760:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C2(C)OCCO2)c(-c2cc(F)c(F)c(C(=O)OC)c2)cc1OC,TYYZFJHCNAXISC-UHFFFAOYSA-N
rxn:5:180297:226907:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3cccc4c3CCC43CC3)cc2OC)c(C2OCCO2)c1,XLNLVLCQPRXDBW-UHFFFAOYSA-N
rxn:5:180297:226971:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc4c(c3)CCCOC4)cc2OC)c(C2OCCO2)c1,WZMHOWBZEZXCOE-UHFFFAOYSA-N
rxn:5:180297:228496:226837,COc1cc(-c2cnn(CC(F)(F)F)c2)c(C2(C)OCCO2)cc1-c1c(C)nn(CC(F)(F)F)c1C,RLODGAYTBUBEHL-UHFFFAOYSA-N
rxn:5:180421:225585:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(CC2CCCCC2)cc1-c1ccccc1CN1CCOCC1,RTDGYYHXGRBUNY-UHFFFAOYSA-N
rxn:5:180421:225823:226900,CC(C)c1cc(-c2cc(CC3CCCCC3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc(C(F)(F)F)c1,UMMNLROLULTYLH-UHFFFAOYSA-N
rxn:5:180421:225931:225440,Cc1cc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)cc(S(=O)(=O)N(C)C)c1,DJLFAYMJUQEXFN-UHFFFAOYSA-N
rxn:5:180422:225625:226464,COc1ccc2c(c1-c1cc(CC3CCCCC3)ccc1-c1cc(OC3CCCC3)ccc1F)OCCO2,IKMBHDODLDPFGL-UHFFFAOYSA-N
rxn:5:180602:223064:225633,COC(=O)C1Cc2cc(-c3ccc(N4CCCCCC4)nc3)cc(-c3ccc(C4CCNCC4)nc3F)c2O1,BUWHKHWBZPDTAN-UHFFFAOYSA-N
rxn:5:180602:226663:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(N4CCSCC4)nc3)c2O1,DVQQXXJQYWLDCL-UHFFFAOYSA-N
rxn:5:180602:226794:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,CPNXKZKYSRJEDO-UHFFFAOYSA-N
rxn:5:180662:223138:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,OZZJQWUAIQRWTR-UHFFFAOYSA-N
rxn:5:182951:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c2c1C(=O)CCO2,DJSQWYXUJQDUOZ-UHFFFAOYSA-N
rxn:5:183063:223054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc2c(c1-c1ccc(C(C)N3CCC(O)C3)s1)CCCC2=O,STRHYADQJVYAHS-UHFFFAOYSA-N
rxn:5:183190:225816:226031,CC1(C)Cc2c(cc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2-c2cc(C3CC3)ccc2C(F)(F)F)C1=O,RJABYSGQVXEMRO-UHFFFAOYSA-N
rxn:5:183190:226031:225822,CC1(C)Cc2c(cc(-c3cccc(C(F)(F)F)c3C3CC3)cc2-c2ccc(C(F)(F)F)cc2C(F)F)C1=O,PTOVBXCLCDIHMC-UHFFFAOYSA-N
rxn:5:188445:225871:226186,COC(=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc([N+](=O)[O-])c1-c1ccccc1C1CCOCC1,NJHKCCYQRNWQTQ-UHFFFAOYSA-N
rxn:5:188448:225927:226067,COC(=O)c1cc(-c2ccc(C3=CCCCC3)cc2)c([N+](=O)[O-])cc1-c1cc(C(F)(F)F)ccc1N(C)C,YUOWWBLXRXFJMR-UHFFFAOYSA-N
rxn:5:188458:226382:226686,COC(=O)c1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cnc(C3CCCCC3)nc2)cc1[N+](=O)[O-],VIMZLVCKRDDLBB-UHFFFAOYSA-N
rxn:5:188460:226652:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(C)nn2C2CCCCO2)c(C(=O)OC)cc1[N+](=O)[O-],RCRYGNJZDBXVSG-UHFFFAOYSA-N
rxn:5:188461:226067:225927,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C3=CCCCC3)cc2)c1-c1cc(C(F)(F)F)ccc1N(C)C,URSHIQGDQJXNQI-UHFFFAOYSA-N
rxn:5:188616:225936:226837,CCOc1cc(-c2cc(C(F)(F)F)cnc2C(C)C)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-],RAFFXEMRAZPZAB-UHFFFAOYSA-N
rxn:5:188632:226029:226686,CCOc1c(F)c(F)c(-c2cc(-c3c(C)cnn3C3CCCCO3)c(C(=O)OC)nc2OC)c(F)c1F,SCRBURFQWNOPMC-UHFFFAOYSA-N
rxn:5:188874:226048:222991,CON(C)C(=O)c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1-c1c(F)ccc(F)c1OC(F)(F)F,VOAFSJBCVFLDPL-UHFFFAOYSA-N
rxn:5:188930:226918:225927,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3=CCCC3)cc2)cc1-c1cc(C(F)(F)F)ccc1N(C)C,IUANLDUCXCJCIL-UHFFFAOYSA-N
rxn:5:188931:226054:223389,COC(=O)c1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(S(N)(=O)=O)c1-c1c(C)n[nH]c1C(F)(F)F,ITFAWBPDJXDSTH-UHFFFAOYSA-N
rxn:5:188931:227444:225455,COC(=O)c1cc(-c2cncc(C3CCCO3)c2)cc(S(N)(=O)=O)c1-c1cc(N2CCCCC2)ccc1C,ADUDSFBJYDNOHP-UHFFFAOYSA-N
rxn:5:188932:225666:227512,COC(=O)c1cc(-c2cc(F)cc(N3CCCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C(=O)OC)ncc2C)c1,AWPPQEAVQYQIBI-UHFFFAOYSA-N
rxn:5:188932:225816:227053,COC(=O)c1cc(-c2cccc(OC(C)(C)C)c2)c(S(N)(=O)=O)c(-c2cc(C3CC3)ccc2C(F)(F)F)c1,CVETYEIBIUTZBG-UHFFFAOYSA-N
rxn:5:189207:223010:225986,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1-c1ccccc1N1CCCS1(=O)=O,PDWPJOKJWRUTAK-UHFFFAOYSA-N
rxn:5:189207:225616:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1cccc2c1C(=O)CCC2,XIXZFKIJGGQRNI-UHFFFAOYSA-N
rxn:5:189207:225623:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(OC3CCOCC3)c2)ccc1-c1cccc2c1COC2=O,SXKGIEPZDMJBDY-UHFFFAOYSA-N
rxn:5:189207:225834:229168,COc1nc(C)sc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1C(=O)ON1C(=O)CCC1=O,QIYALCUKTZJAJJ-UHFFFAOYSA-N
rxn:5:189207:225871:225616,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccccc1C(=O)N1CCCC1,UIBYWHFTKVGIJG-UHFFFAOYSA-N
rxn:5:189207:226084:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C(=O)ON2C(=O)CCC2=O)c1,XPVXVSIDELFAHT-UHFFFAOYSA-N
rxn:5:189207:226158:228872,COC(=O)c1sccc1-c1ccc(-c2ccccc2N2CCCCC2)cc1C(=O)ON1C(=O)CCC1=O,XVWGKDBSHLBCOL-UHFFFAOYSA-N
rxn:5:189207:226197:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCOC3)cc2)ccc1-c1ccc(S(=O)(=O)O)cc1,AMLMWSTXTIYOAC-UHFFFAOYSA-N
rxn:5:189207:226411:228150,COC(=O)c1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1,KHWBTCHMRGLNFU-UHFFFAOYSA-N
rxn:5:189207:226899:222420,NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(=O)ON1C(=O)CCC1=O,CVBABMZOFDRJHF-UHFFFAOYSA-N
rxn:5:189207:227066:226185,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)C3CC3)c2)ccc1-c1ccc(C2CCOCC2)cc1,LOVSYTLQCOKDGN-UHFFFAOYSA-N
rxn:5:189207:227066:226413,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)C3CC3)c2)ccc1-c1cccc(N2CCOCC2)c1,LOHJKOBBZQYISW-UHFFFAOYSA-N
rxn:5:189207:227074:223270,CCOc1c(C)cc(C)cc1-c1ccc(-c2ccc(F)cc2NC(C)=O)c(C(=O)ON2C(=O)CCC2=O)c1,OKKCEBIKVIROJS-UHFFFAOYSA-N
rxn:5:189207:227082:227452,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCCC2)ccc1-c1cccc(C2OCCO2)c1,NXEBXAGNYBOEAT-UHFFFAOYSA-N
rxn:5:189207:227205:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1,VUNIWQMHTFDLIF-UHFFFAOYSA-N
rxn:5:189207:227207:226186,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCC3=O)ccc1-c1ccccc1C1CCOCC1,YNQYIRPQCMHIJL-UHFFFAOYSA-N
rxn:5:189207:227680:227125,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)ccc1-c1ccccc1C1CCOC1,CDMYOYNNQNYYLC-UHFFFAOYSA-N
rxn:5:189207:227764:227680,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(C(F)F)c(F)c2)ccc1-c1cccc2c1OC(F)(F)O2,GTWSSGWWNVOWOX-UHFFFAOYSA-N
rxn:5:189207:227804:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])ccc1-c1cccc2c1C(=O)CCC2,BAZXSNCRQJAKHT-UHFFFAOYSA-N
rxn:5:189207:227863:226764,COC(=O)c1c(F)ccc(-c2ccc(-c3ccc4c(c3)CCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,ICBWTWMEAUXAEU-UHFFFAOYSA-N
rxn:5:189207:228601:225407,CC(=O)c1ccccc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,SDHSYZYIYKJIDN-UHFFFAOYSA-N
rxn:5:189207:228623:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2sccc2C2CCC2)ccc1-c1cccc(N2CCOCC2=O)c1,QYVGWSFWJFYWGN-UHFFFAOYSA-N
rxn:5:189207:228894:225616,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1ccccc1C(=O)N1CCCC1,JCERMRFGBAOZHI-UHFFFAOYSA-N
rxn:5:189208:223352:225871,CC(C)Nc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cn1,ZZXAXCUXKQYNKN-UHFFFAOYSA-N
rxn:5:189208:223361:226186,CC(=NO)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCOCC3)c2)cc1,CACZGAVSRNWMOX-UHFFFAOYSA-N
rxn:5:189208:225453:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CCCCC3)c2)cc1-c1cccc2c1COC2=O,CVXTVRZERZLUJO-UHFFFAOYSA-N
rxn:5:189208:225470:228077,CC1CCN(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc5c(c4)C(=O)OC5)c3)cc2)CC1,MXFHIOSSLGYLEH-UHFFFAOYSA-N
rxn:5:189208:225584:229087,CC(=O)c1ccsc1-c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,LXVCQIUMQZEUOG-UHFFFAOYSA-N
rxn:5:189208:225616:229089,CC(=O)c1sccc1-c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1C(=O)ON1C(=O)CCC1=O,BWCFVRYGMHKWIS-UHFFFAOYSA-N
rxn:5:189208:225702:226411,COC(=O)n1c(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(N4CCOCC4)cc3)c2)cc2ccccc21,MSVDCGKDHOUJCK-UHFFFAOYSA-N
rxn:5:189208:225873:227125,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1ccccc1C1CCOC1,LZLRQXWEOTZNAK-UHFFFAOYSA-N
rxn:5:189208:226069:228174,CC(=O)Oc1ccc(-c2cc(-c3cccc(C4CCCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,DUNATGHRIDCPQH-UHFFFAOYSA-N
rxn:5:189208:226185:228868,COC(=O)c1ccc(-c2cc(-c3ccc(C4CCOCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)s1,UEOJXAXUBZMLPZ-UHFFFAOYSA-N
rxn:5:189208:226186:228318,COC(=O)c1ccncc1-c1cc(-c2ccccc2C2CCOCC2)ccc1C(=O)ON1C(=O)CCC1=O,ISBQZWUUXQWYCL-UHFFFAOYSA-N
rxn:5:189208:226187:225986,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOCC3)c2)cc1-c1ccccc1N1CCCS1(=O)=O,ALNIUKSXUSFUGJ-UHFFFAOYSA-N
rxn:5:189208:226319:227936,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)cc1-c1cccc(SC2CC2)c1,JULVSEXAFUMPEL-UHFFFAOYSA-N
rxn:5:189208:226411:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1-c1ccccc1C(=O)N1CCC1,NMJAFRGJSCBBAO-UHFFFAOYSA-N
rxn:5:189208:226411:228174,CC(=O)Oc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,UZRGZUFXXCRVKT-UHFFFAOYSA-N
rxn:5:189208:227203:228345,COC(=O)c1sc(C)cc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1C(=O)ON1C(=O)CCC1=O,QVEPNEAXSBCLEL-UHFFFAOYSA-N
rxn:5:189208:227452:225584,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3OCCO3)c2)cc1-c1ccc(C(=O)N2CCCC2)cc1,ZTNCXMFFAGVNFL-UHFFFAOYSA-N
rxn:5:189208:227505:227386,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1cnn(C2CCCCC2)c1,RTDJFPLLJBGJEX-CCEZHUSRSA-N
rxn:5:189208:227546:227103,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3sccc3C3CCCCC3)c2)c1F,MRTUSESYVSDUCZ-UHFFFAOYSA-N
rxn:5:189208:227679:227529,COC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c1,XJMHRYRKLMLKDO-UHFFFAOYSA-N
rxn:5:189208:228071:225818,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCO3)cc1-c1ccc(C(F)(F)F)cc1C1CC1,QLVRJYMWXATTRB-UHFFFAOYSA-N
rxn:5:189208:228245:226064,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C4CCCCC4)cc3)c2)cc1F,NRLUOMOREBFBPY-UHFFFAOYSA-N
rxn:5:189208:228318:226186,COC(=O)c1ccncc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccccc2C2CCOCC2)c1,LPSAHUJXJQAWCO-UHFFFAOYSA-N
rxn:5:189208:228530:226050,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCC3)cc1-c1c(F)cc(OC(F)(F)F)cc1F,IROWUPHSLIKHLQ-UHFFFAOYSA-N
rxn:5:189208:228602:225600,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccnc3OC3CCCCC3)c2)cc1,IXTLTTLCFYZNLJ-UHFFFAOYSA-N
rxn:5:189208:228628:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C3CCC3)cs2)cc1-c1cccc(N2CCOCC2=O)c1,AKOZZBNMEPCYJP-UHFFFAOYSA-N
rxn:5:189208:228871:226411,COC(=O)c1ccsc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(N3CCOCC3)cc2)c1,DWMCMVNUECTPMR-UHFFFAOYSA-N
rxn:5:189208:229089:225832,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2c(C)nn(C3CCCCO3)c2C)c1,WVAZKIJNIFBTSH-UHFFFAOYSA-N
rxn:5:189209:223010:228895,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(C3(O)CCOCC3)cc2)c1,YRXIOPUPAMOVGD-UHFFFAOYSA-N
rxn:5:189209:225407:226966,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc3c(c2)C(=O)CCC3)c1,LXNXMECJTAEACS-UHFFFAOYSA-N
rxn:5:189209:225451:228895,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc([N+](=O)[O-])cc2)c1,GEROLQQOBYCEBC-UHFFFAOYSA-N
rxn:5:189209:225453:229091,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(SC3CCCCC3)c2)c1,KZZHOUQRTODEHC-UHFFFAOYSA-N
rxn:5:189209:225616:228629,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCC3)s2)cc(-c2ccccc2C(=O)N2CCCC2)c1,SWLCQRCINNDDKC-UHFFFAOYSA-N
rxn:5:189209:226050:227680,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)cc(-c2c(F)cc(OC(F)(F)F)cc2F)c1,YTTIRNRVKIVJQF-UHFFFAOYSA-N
rxn:5:189209:226084:228151,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)C(=O)CCCC4)c2)c1,KJIUHFURDFBCEW-UHFFFAOYSA-N
rxn:5:189209:226145:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC3CCCC3)cc2)cc(-c2cccc3c2COC3=O)c1,ALVKWCHLTZFSFT-UHFFFAOYSA-N
rxn:5:189209:226415:227047,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCC3)c2)cc(-c2ccccc2N2CCOCC2)c1,HFUVXHAWKQDMAS-UHFFFAOYSA-N
rxn:5:189209:226900:227764,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc(-c2cc(F)c(C(F)F)c(F)c2)c1,PHVHZTNRTQYOJE-UHFFFAOYSA-N
rxn:5:189209:227095:227507,O=C1CC(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccc(C=C[N+](=O)[O-])c4)c3)cc2)C1,SNNKAUAASYLOMM-UHFFFAOYSA-N
rxn:5:189209:228077:227610,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)OC3)cc(-c2ccn(C3CCCCO3)n2)c1,VZEVBVQOYNYNSP-UHFFFAOYSA-N
rxn:5:189209:228079:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(-c2cccc3c2COC3=O)c1,BEHPAMRAVFEDHK-UHFFFAOYSA-N
rxn:5:189209:228174:225873,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(N4CCOCC4=O)c3)c2)cc1,PNCNSVKECAVUMU-UHFFFAOYSA-N
rxn:5:189209:228174:227613,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCOCC4)c3)c2)cc1,NRSDBEIKJKRYDI-UHFFFAOYSA-N
rxn:5:189209:228484:227119,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])c(F)c2)cc(-c2cc(C3CCCCC3)cs2)c1,HCOXOGSVHRKMFF-UHFFFAOYSA-N
rxn:5:189209:228504:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2cccc3c2CCC3)c1,VJZKOIKNNINUHW-UHFFFAOYSA-N
rxn:5:189209:228623:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2sccc2C2CCC2)c1,BCZBBCSLPYJUQX-UHFFFAOYSA-N
rxn:5:189210:225584:228631,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1ccsc1C1CCC1,PAWUJQLLOGGBPQ-UHFFFAOYSA-N
rxn:5:189210:225834:229091,CC(=O)c1occc1-c1cccc(-c2cc(N3CCCCC3)ncc2F)c1C(=O)ON1C(=O)CCC1=O,QBUFIZNRAMTCAE-UHFFFAOYSA-N
rxn:5:189210:225871:228510,CC(C)c1ccccc1-c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1C(=O)ON1C(=O)CCC1=O,AOQBMOASBYLNSQ-UHFFFAOYSA-N
rxn:5:189210:226035:228529,COc1ccc(C(F)(F)F)c(F)c1-c1cccc(-c2ccc3c(c2)CCO3)c1C(=O)ON1C(=O)CCC1=O,MJQFMVPMFOZEMN-UHFFFAOYSA-N
rxn:5:189210:226185:227506,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1cccc(/C=C/[N+](=O)[O-])c1,WICUOKPLQRZQPU-DTQAZKPQSA-N
rxn:5:189210:226185:228484,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1ccc([N+](=O)[O-])c(F)c1,PUQCJKAMSOKDEW-UHFFFAOYSA-N
rxn:5:189210:226411:226966,O=C1CCCc2ccc(-c3cccc(-c4ccc(N5CCOCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)cc21,KPTVNKZEWWWBDF-UHFFFAOYSA-N
rxn:5:189210:226413:227501,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C=C[N+](=O)[O-])cc2)cccc1-c1cccc(N2CCOCC2)c1,WOZVHAJAOJPFRS-UHFFFAOYSA-N
rxn:5:189210:226413:227992,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3COC3)cc2)cccc1-c1cccc(N2CCOCC2)c1,OEQBBLQRZSAIPK-UHFFFAOYSA-N
rxn:5:189210:226415:228631,O=C(ON1C(=O)CCC1=O)c1c(-c2ccccc2N2CCOCC2)cccc1-c1ccsc1C1CCC1,VTZNQPZAIPXNTK-UHFFFAOYSA-N
rxn:5:189210:226571:228871,COC(=O)c1ccsc1-c1cccc(-c2cnn(CC3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,HHTFFHAWKWGDTB-UHFFFAOYSA-N
rxn:5:189210:226769:227863,COC(=O)c1cc(F)c(F)c(-c2cccc(-c3ccc4c(c3)CCCO4)c2C(=O)ON2C(=O)CCC2=O)c1,XONCIZIXEOYVLD-UHFFFAOYSA-N
rxn:5:189210:226837:229079,Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(-c2csc(C3CC3)n2)c1C(=O)ON1C(=O)CCC1=O,BEWPPRDGWFGHLT-UHFFFAOYSA-N
rxn:5:189210:228151:225943,COC(=O)c1cccc(-c2cccc(-c3ccc(C(=O)N4CCOCC4)s3)c2C(=O)ON2C(=O)CCC2=O)c1,MQWBBVFZAGSMPU-UHFFFAOYSA-N
rxn:5:189210:228174:227386,CC(=O)Oc1ccc(-c2cccc(-c3cnn(C4CCCCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1,KEHLFKUTZQOSRT-UHFFFAOYSA-N
rxn:5:189210:228194:227766,CCn1nc(C(F)(F)F)cc1-c1cccc(-c2c(C)nn(C(C)C)c2C)c1C(=O)ON1C(=O)CCC1=O,LWPZRRNJUOIFFL-UHFFFAOYSA-N
rxn:5:189210:228340:227505,COc1nc(C2CC2)sc1-c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1C(=O)ON1C(=O)CCC1=O,NTCMDTFFJMFZCE-BUHFOSPRSA-N
rxn:5:189210:228460:227119,COc1ncnc(OC)c1-c1cccc(-c2cc(C3CCCCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,OQGGGBFTDQZBOL-UHFFFAOYSA-N
rxn:5:189210:228498:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cn(C)nc2C(F)(F)F)c1C(=O)ON1C(=O)CCC1=O,MTLNERBNHMUONQ-UHFFFAOYSA-N
rxn:5:189210:228501:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cccc(-c2cnn(C)c2C(F)(F)F)c1C(=O)ON1C(=O)CCC1=O,ZBEYIHAAGYOUFS-UHFFFAOYSA-N
rxn:5:189210:228872:227119,COC(=O)c1sccc1-c1cccc(-c2cc(C3CCCCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,ODJURVATDILZOB-UHFFFAOYSA-N
rxn:5:189211:222994:228603,CC(=O)c1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3CCC(O)CC3)c2)c1,DKCABLHLASLPTN-UHFFFAOYSA-N
rxn:5:189211:225450:228514,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)C3CCCC3)cc2)c1-c1cccc(C2CC2)c1,ZLJWUVNLRFGEBS-UHFFFAOYSA-N
rxn:5:189211:225679:229091,CC(=O)c1occc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(N2CCCCC2)cc1F,VQKIGBBISJKFOT-UHFFFAOYSA-N
rxn:5:189211:225873:226319,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3=O)c2)c1-c1ccc(C(=O)N2CCC2)cc1,QQMAEHCASXWSHR-UHFFFAOYSA-N
rxn:5:189211:226084:226469,CN1C(=O)COc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)C(=O)CCCC4)cc21,LCAXFJMNHDHEBO-UHFFFAOYSA-N
rxn:5:189211:226164:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCCCC3)cc2)c1-c1cccc(N2CCOCC2=O)c1,SNAROBZMHYZNLB-UHFFFAOYSA-N
rxn:5:189211:226411:226158,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCOCC3)cc2)c1-c1ccccc1N1CCCCC1,DXCATYBHKUKWAR-UHFFFAOYSA-N
rxn:5:189211:226452:228149,COC(=O)c1ccccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C2OCCCO2)cc1,GHVWCCXJTNECPO-UHFFFAOYSA-N
rxn:5:189211:226783:228079,COc1cc(F)c(F)c(OC)c1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cccc2c1COC2=O,WCIRETIEVQYFOQ-UHFFFAOYSA-N
rxn:5:189211:227044:227095,O=C1CC(c2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C(=O)C4CC4)cc3)cc2)C1,GRDMAWXHVMRMBT-UHFFFAOYSA-N
rxn:5:189211:227119:227505,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(C3CCCCC3)cs2)c1-c1ccc(/C=C/[N+](=O)[O-])cc1,ZKKWYUHCJDKCEJ-FOCLMDBBSA-N
rxn:5:189211:227203:228345,COC(=O)c1sc(C)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc2c(c1)OCCCO2,UHNZQTDCPZINPN-UHFFFAOYSA-N
rxn:5:189211:227205:226854,COc1ccc(F)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2OCCCO3)c1[N+](=O)[O-],PAWUYWFGHGSZNR-UHFFFAOYSA-N
rxn:5:189211:227501:227657,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc(N2CCOCC2)s1,CNZBOVLBNGPTFW-UHFFFAOYSA-N
rxn:5:189211:227501:227679,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc2c(c1)OC(F)(F)O2,MHMMOBKVQWFXDM-UHFFFAOYSA-N
rxn:5:189211:227505:227450,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1-c1cccc(C2CC2(F)F)c1,XJFYFKOXYUWXMQ-BUHFOSPRSA-N
rxn:5:189211:227680:227529,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2OC(F)(F)O3)c(F)c1,ILWPRAVNDWUVQI-UHFFFAOYSA-N
rxn:5:189211:227829:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C2CCC2)c1-c1cccc(N2C(=O)C=CC2=O)c1,DMBCKWGMRIYGAJ-UHFFFAOYSA-N
rxn:5:189211:227918:225873,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(SC3CC3)cc2)c1-c1cccc(N2CCOCC2=O)c1,JTUDWCYIRJAOME-UHFFFAOYSA-N
rxn:5:189211:228007:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(F)ccc2C2CC2)c1-c1cccc(N2C(=O)C=CC2=O)c1,QLOGIVFJWZBOKW-UHFFFAOYSA-N
rxn:5:189211:228071:226053,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2OCCO3)c1-c1ccc(F)c(OC(F)(F)F)c1F,AOUOKBIWICJCTD-UHFFFAOYSA-N
rxn:5:189211:228629:226413,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCC3)s2)c1-c1cccc(N2CCOCC2)c1,MWGHLSHNRGBNHO-UHFFFAOYSA-N
rxn:5:189212:222998:228791,CSc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(C3CCCNC3)c2)c(F)c1,RILLNEMIEVBTKI-UHFFFAOYSA-N
rxn:5:189212:225583:228078,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)COC3=O)c(-c2cccc(C(=O)N3CCCC3)c2)c1,QXOMQAAGYBGHFT-UHFFFAOYSA-N
rxn:5:189212:225617:228602,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(OC3CCCCO3)cc2)cc1,WRSJFJVJSIGWSI-UHFFFAOYSA-N
rxn:5:189212:226186:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccccc2C2CCOCC2)c1,PQTFHDLYDGUEPT-UHFFFAOYSA-N
rxn:5:189212:226411:225584,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)c(-c2ccc(N3CCOCC3)cc2)c1,RFKOFQDJODIKIZ-UHFFFAOYSA-N
rxn:5:189212:226686:228498,Cc1cnn(C2CCCCO2)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cn(C)nc1C(F)(F)F,YRUPMGHOJOGHRI-UHFFFAOYSA-N
rxn:5:189212:226881:227679,COc1c(F)c(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OC(F)(F)O3)c(F)c1F,NUCNJGXXVNLNQI-UHFFFAOYSA-N
rxn:5:189212:226899:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,FVTSZCVKRUBULJ-UHFFFAOYSA-N
rxn:5:189212:226966:228002,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCC2)c(-c2ccc3c(c2)C(=O)CCC3)c1,GWLPMUIEEFZZIM-UHFFFAOYSA-N
rxn:5:189212:226969:226211,CC(=O)N1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc4c(c3)CCCC4=O)ccc21,FEUGKHNFUGNKIN-UHFFFAOYSA-N
rxn:5:189212:226980:225449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(OC3CCCCC3)c2)c(-c2cccc3c2C(=O)CCC3)c1,CCVSUPFHZSMDSV-UHFFFAOYSA-N
rxn:5:189212:226980:225943,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)c(-c2cccc3c2C(=O)CCC3)c1,BPUFCKLHOBXBOM-UHFFFAOYSA-N
rxn:5:189212:226980:227679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cccc3c2C(=O)CCC3)c1,OWZAORDANITTKS-UHFFFAOYSA-N
rxn:5:189212:227066:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2cccc(C(=O)C3CC3)c2)c1,XMXNUDXJJBQRQQ-UHFFFAOYSA-N
rxn:5:189212:227080:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cccc(N3CCCC3)c2)c1,MVBTXLRGJNJDRY-UHFFFAOYSA-N
rxn:5:189212:227119:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cc(C3CCCCC3)cs2)c1,FKOJDIBDRUEXLI-UHFFFAOYSA-N
rxn:5:189212:227119:227197,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(C4CCCCC4)cs3)cc2C1=O,VHQPWKKTIPIQDL-UHFFFAOYSA-N
rxn:5:189212:227197:226186,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3ccccc3C3CCOCC3)cc2C1=O,JFVZODQLVNTEMY-UHFFFAOYSA-N
rxn:5:189212:227390:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnn1C1CCCCC1,OZYHLMLVLMBSKB-UHFFFAOYSA-N
rxn:5:189212:227507:227183,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cccc(C=C[N+](=O)[O-])c3)ccc2C1=O,MEXXJASUONEZHI-UHFFFAOYSA-N
rxn:5:189212:227543:227679,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OC(F)(F)O3)ccc1F,UAZAHXAQUDQTLI-UHFFFAOYSA-N
rxn:5:189212:227863:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc3c(c2)CCCO3)c1,HNJVLRQEJYBPID-UHFFFAOYSA-N
rxn:5:189212:227920:225873,CCC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3CCOCC3=O)c2)cc1,RXCANKUIZWGZQU-UHFFFAOYSA-N
rxn:5:189212:228077:223143,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCC(O)C3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,GXUOHDZBTFQUEJ-UHFFFAOYSA-N
rxn:5:189212:228150:226464,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2c(OC)ccc3c2OCCO3)cc1,GEHOCJYGSOOXDB-UHFFFAOYSA-N
rxn:5:189212:228200:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnn1C1CCCC1,QQIZUDONAYBHQB-UHFFFAOYSA-N
rxn:5:189212:228484:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])c(F)c2)c1,CLBWMILMZSHOEF-UHFFFAOYSA-N
rxn:5:189212:228498:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cn(C)nc1C(F)(F)F,IIVXZYRPVGDFKN-UHFFFAOYSA-N
rxn:5:189212:228601:225616,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccccc1C(=O)N1CCCC1,SSWQYYDPHYSRFC-UHFFFAOYSA-N
rxn:5:189212:228601:225879,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCOCC2)cc1F,OISBTPLGUZBJSN-UHFFFAOYSA-N
rxn:5:189212:228623:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2sccc2C2CCC2)c1,XOKDVPITJKEMHZ-UHFFFAOYSA-N
rxn:5:189321:225805:225464,CC1CCCN(c2cccc(-c3ccc(-c4ccc(C(C)N5CCOCC5)s4)nc3C(=O)OC(C)(C)C)c2)C1,IIZXLKAGQKXTKK-UHFFFAOYSA-N
rxn:5:189321:226464:223002,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCNCC4)cc3F)c(C(=O)OC(C)(C)C)n1)OCCO2,GDDZRXJQNSTAAB-UHFFFAOYSA-N
rxn:5:189322:222980:226137,CC(C)c1ncc(C2CC2)cc1-c1ncc(-c2ccc(CN3CCNCC3)cc2)cc1C(=O)OC(C)(C)C,UVRCQPRYUPIICZ-UHFFFAOYSA-N
rxn:5:189323:222404:222404,CC(C)(C)OC(=O)c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)ncc1-c1ccc(C2NC(=O)NC2=O)cc1,TWJFZKPKHZJVAQ-UHFFFAOYSA-N
rxn:5:189664:225438:227665,Cc1cc(-c2cc(-c3ccc(C(C)N4CCCC4)cc3)ccc2CC(=O)N2CCCC2)ccc1C(F)(F)F,CFJDIUDWJDECAR-UHFFFAOYSA-N
rxn:5:189665:223000:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1OCC1CCOCC1,SNNPXYLIZRDKKD-UHFFFAOYSA-N
rxn:5:189667:226836:227385,Cc1nc(C(C)(C)C)ncc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cn(C(C)C)nc2C(F)(F)F)c1,SIIXCMBIJHZENP-VJMMFYIUSA-N
rxn:5:189668:225946:227205,CC(=O)c1cc(-c2cc(-c3cccc4c3OCCCO4)ccc2CC(=O)N2CCCC2)cc(C(F)(F)F)c1,GPDWXRAALKNBCN-UHFFFAOYSA-N
rxn:5:189670:225616:225671,CC(C)(C)S(=O)/N=C/c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1cc(C2CCCCC2)ncc1F,OVXHGVWZUXLSGF-QLQYKETESA-N
rxn:5:189670:226900:226900,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,RFVATZQVCGHJBT-PUHLOBNQSA-N
rxn:5:189672:226424:226968,CC1CCCN(c2csc(-c3cccc(/C=N/S(=O)C(C)(C)C)c3-c3ccc4c(c3)OC(C)(C)C4)c2)C1,WAFZJGRUTKJJCI-KCSSXMTESA-N
rxn:5:189718:223307:225671,O=[N+]([O-])c1cc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc3c(c2)CCNC3)cc1OC1CCOCC1,DTDYXTYQZWXOCU-UHFFFAOYSA-N
rxn:5:189718:228681:226591,CC(C)Oc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccnn2CC2CC2)c(F)c1F,ZEBCILFJRMYYHM-UHFFFAOYSA-N
rxn:5:189826:226837:228967,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn(C)nc2C(F)F)ccc1CC(=O)N1CCOCC1,YQDFYSXALAUODS-UHFFFAOYSA-N
rxn:5:189827:225820:228459,COc1ncc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2c(C3CC3)cccc2C(F)(F)F)c(SC)n1,GRUORGCWHJBGLP-UHFFFAOYSA-N
rxn:5:189827:228012:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cccc(F)c1C1CC1,VCICNJVJICSVEM-UHFFFAOYSA-N
rxn:5:189829:226783:227205,COc1cc(F)c(F)c(OC)c1-c1cc(C(=O)N2CCCC2)cc(-c2cccc3c2OCCCO3)c1OC,NFIZWPOQMMFHAG-UHFFFAOYSA-N
rxn:5:189908:225601:227330,COC(=O)c1ccc(-c2ncc(-c3ccc(C4(C#N)CCC4)cc3F)cc2OCC2CCCCC2)c(C)c1,JQGNSVUCRHUUDR-UHFFFAOYSA-N
rxn:5:189909:225982:226644,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cncc(N3CCOCC3)c2)cc1CCN1CCOCC1,GETCSEPGOLOGJV-UHFFFAOYSA-N
rxn:5:189909:226395:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,YLFXXDICGCDGAG-UHFFFAOYSA-N
rxn:5:189910:225976:226664,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,XYPDTHASVDFXMX-UHFFFAOYSA-N
rxn:5:189952:223344:226765,COC(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cccc4c3CC(=O)N4)c2OC)c(F)c1F,VHJJQZABIOSZEQ-UHFFFAOYSA-N
rxn:5:189952:227497:227035,COc1c(-c2cc(C#N)cc(C3CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(OC(C)C)nc1C,HNLJGRWFSWJANC-UHFFFAOYSA-N
rxn:5:190097:225452:227561,COc1cc(F)c(-c2ccc(-c3ccc(OC4C=CCCC4)cc3)cc2CCN2CCCCC2)cc1OC,NYHCPDDUAMMFQB-UHFFFAOYSA-N
rxn:5:190127:222959:226913,CCc1cc(-c2ccc(-c3ccc(C4CCNCC4)c(C)c3)cc2C(=O)N2CCC(OC)CC2)cc(C2CC2)c1,AGKHFNKBRUVFGI-UHFFFAOYSA-N
rxn:5:190128:226181:226748,COc1cc(C(F)(F)F)ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(C2=CCCCC2)nc1,GDJBMSINMHOJFR-UHFFFAOYSA-N
rxn:5:190128:226734:225872,COC1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)N(C)C)c3)c(-c3cc(F)c(F)c(N4CCCC4)c3)c2)CC1,XETNLRJVTODMHF-UHFFFAOYSA-N
rxn:5:190131:227131:227344,COc1c(-c2cccc(C3CCOC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc(OC(C)C)c(F)c1,JMRMRRCBCGUGSM-UHFFFAOYSA-N
rxn:5:190177:225817:226901,O=C1CC(Sc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc1,BVCGLYRXBFQILR-UHFFFAOYSA-N
rxn:5:190194:225515:223202,COC1CCN(Cc2cccc(-c3cccc4c3OCC(C)(C)CO4)c2-c2ccc(C3(O)CCC3)cc2)CC1,ITKPJQIXFGHCEE-UHFFFAOYSA-N
rxn:5:190194:226850:226147,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2c(C)cc(OC(C)C)cc2C)cc(C(F)(F)F)n1,TZGDXQRZTWWLIV-UHFFFAOYSA-N
rxn:5:190194:228071:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,GFGRLPNUICAEEK-UHFFFAOYSA-N
rxn:5:190195:225849:228703,CN(Cc1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cnn(C3CCC3)c2)c1)C1CCOCC1,ANXCECVECXSLIP-UHFFFAOYSA-N
rxn:5:190195:226150:223273,CNC(=O)c1cccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cccc(SC3CCCC3)c2)c1F,FVKGSWQLRNFPOH-UHFFFAOYSA-N
rxn:5:190196:223239:226042,CN(Cc1ccc(-c2cncc(C3CCCN3)c2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1,KSMMFIXIPPKSJR-UHFFFAOYSA-N
rxn:5:190197:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1CN(C)C1CCOCC1,AJEDIRZRJZHCTH-UHFFFAOYSA-N
rxn:5:190197:223113:225976,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,NFWQGVJQTOHWGN-UHFFFAOYSA-N
rxn:5:190198:226685:227316,CC(C)Cc1cc(-c2cccc(-c3cnc(C4CCOCC4)nc3)c2CN(C)C2CCOCC2)cc(F)n1,SNAZJBAECNLOEZ-UHFFFAOYSA-N
rxn:5:190199:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(CN(C)C2CCOCC2)c1,GCFKPWBTLBPUDF-UHFFFAOYSA-N
rxn:5:190199:225655:222417,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)cc3CN(C)C3CCOCC3)c2)CC1,VJKJFTMQPOQDRD-UHFFFAOYSA-N
rxn:5:190199:226145:227717,CN(Cc1cc(-c2ccc(F)cc2OC(F)F)ccc1-c1ccc(OC2CCCC2)cc1)C1CCOCC1,IVTZULPFLQUPMO-UHFFFAOYSA-N
rxn:5:190201:222417:225655,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)cc3CCN3CCOC(C)C3)c2)CC1,NYILDXMVDIFUTI-UHFFFAOYSA-N
rxn:5:190201:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOC(C)C4)c3)c2)CC1,NAPAYQKAWNLCPC-UHFFFAOYSA-N
rxn:5:190201:226826:227039,Cc1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(CCN3CCOC(C)C3)c2)c(F)c(C(F)(F)F)c1,LOQSTRUVVSVJQO-UHFFFAOYSA-N
rxn:5:190231:222421:225884,COc1c(-c2cncc(S(N)(=O)=O)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C2COCCO2)c(F)c1,QQIROAIXLWGELJ-UHFFFAOYSA-N
rxn:5:190231:223247:226054,COc1c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc2c(C)n[nH]c2cc1F,BGFAVHFYVGFMBB-UHFFFAOYSA-N
rxn:5:190231:225849:225976,COc1c(-c2cnc(N3CCCCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1F,DQTAFDRWNILJSP-UHFFFAOYSA-N
rxn:5:190231:227379:226664,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cccnc1N1CCCC1,LNPXIIQDHABFPW-UHFFFAOYSA-N
rxn:5:190264:223345:226900,CC1CCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3cccc4c3NC(=O)C4)c2)CC1,XOUYTLPCKHTACE-UHFFFAOYSA-N
rxn:5:190264:226969:226190,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4CCCC4)cc3F)c(-c3ccc4c(c3)CCCC4=O)c2)CC1,BMNPVGIMSCQDGJ-UHFFFAOYSA-N
rxn:5:190264:227552:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccccc3CC(F)(F)F)c2)CC1,ZPHQUZRFSBCCHS-UHFFFAOYSA-N
rxn:5:190264:228182:226900,CC1CCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3cccc(CC(F)F)c3)c2)CC1,WTRDBPDTMYJRHT-UHFFFAOYSA-N
rxn:5:190265:226211:227989,CC#Cc1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc3c(c2)CCN3C(C)=O)c1,UOLIBTHSNWTPAN-UHFFFAOYSA-N
rxn:5:190265:226900:227812,CC(C)Cc1cccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(S(F)(F)(F)(F)F)cc2)c1,LGJHZGNDHWKRLX-UHFFFAOYSA-N
rxn:5:190265:226900:227918,CC1CCCN(C(=O)Cc2ccc(-c3ccc(SC4CC4)cc3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,ZHOWJLOJABDHAR-UHFFFAOYSA-N
rxn:5:190265:226901:226900,CC1CCCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,AQXYDSQDJLYVSZ-UHFFFAOYSA-N
rxn:5:190265:228182:225636,CC1CCN(c2cc(-c3ccc(CC(=O)N4CCCC(C)C4)cc3-c3cccc(CC(F)F)c3)ccn2)CC1,XCLDRGPZCHCIAR-UHFFFAOYSA-N
rxn:5:190299:222415:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(F)c(S(N)(=O)=O)c5)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],HDUFNARMHCZTJK-UHFFFAOYSA-N
rxn:5:190299:223285:227695,COc1cc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccccc5NS(C)(=O)=O)ccc4OC)C3=O)cc2)cc([N+](=O)[O-])c1,HVYLRSLVWHNUGZ-UHFFFAOYSA-N
rxn:5:190299:226899:227813,CCc1cccc(CC)c1-c1ccc(N2C(=O)SC(=Cc3cc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3OC)C2=O)cc1,OMAYNWSLIFYMNI-UHFFFAOYSA-N
rxn:5:190299:227687:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(OC)cc5[N+](=O)[O-])ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],BZDRNGIABHVYNE-UHFFFAOYSA-N
rxn:5:190299:227688:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5cc([N+](=O)[O-])ccc5OC)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],AZPOJSYNRRMQIN-UHFFFAOYSA-N
rxn:5:190299:227690:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc([N+](=O)[O-])cc5OC)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],MGFPYVDDHOUUFF-UHFFFAOYSA-N
rxn:5:190299:227700:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5cc(OC)ccc5[N+](=O)[O-])ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],OEIQIQAKFHLANC-UHFFFAOYSA-N
rxn:5:190299:228202:226899,COc1ccc(-c2ccc(F)c(N(C)C)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,MPUFKGMMEURUQP-UHFFFAOYSA-N
rxn:5:190299:228340:226155,COc1ccc(-c2sc(C3CC3)nc2OC)cc1C=C1SC(=O)N(c2ccc(-c3cc(C(C)=O)cc(C4CC4)c3)cc2)C1=O,MEYMJXWLEISBTM-UHFFFAOYSA-N
rxn:5:190299:228490:226854,COc1ccc(-c2cccc(S(=O)(=O)F)c2)cc1C=C1SC(=O)N(c2ccc(-c3c(F)ccc(OC)c3[N+](=O)[O-])cc2)C1=O,FANLRZUHZIISFZ-UHFFFAOYSA-N
rxn:5:190335:222983:225832,COc1c(-c2cccc(CN3CCC(O)C3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(C)nn(C2CCCCO2)c1C,SSWPGUUMFQITGH-UHFFFAOYSA-N
rxn:5:190335:226145:226772,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(OC4CCCC4)cc3)c2OC)c(F)c1,PFEJRPPCGFNVDH-UHFFFAOYSA-N
rxn:5:190335:226741:227689,COc1c(-c2ccc(CC(F)(F)F)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)ccc1C#N,WHERGEHBFKBKHY-UHFFFAOYSA-N
rxn:5:190336:223252:228315,CCOc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(F)c4c(c3)NCCO4)c2OC)c(F)cn1,FRFGCABOWGOROC-UHFFFAOYSA-N
rxn:5:190336:226876:228066,COc1c(-c2ccc3c(c2)OCCO3)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)cc1OC(F)(F)F,NROZGBMMIKLEKE-UHFFFAOYSA-N
rxn:5:190337:227918:227523,COC(=O)c1cnc(C)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(SC3CC3)cc2)c1OC,FYBUEFNWAQDILK-UHFFFAOYSA-N
rxn:5:190421:223189:226040,Cc1c(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6ccc(NS(C)(=O)=O)cc6F)cc5)o4)SC3=S)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],PHZHGLPFNLAYIE-UHFFFAOYSA-N
rxn:5:190484:228496:228071,O=C(c1cccc(-c2cnn(CC(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2cccc3c2OCCO3)S(=O)(=O)CC1,IEZUQTVBEOILBH-UHFFFAOYSA-N
rxn:5:190484:229009:226900,O=C(c1cccc(-c2cc(C3CC3)cs2)c1)N1CCC(c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)S(=O)(=O)CC1,UTPUQWPVFRYABK-UHFFFAOYSA-N
rxn:5:190740:223056:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1ccnc(N2CCOCC2)c1F,HKYGISSRGWRZAD-UHFFFAOYSA-N
rxn:5:190740:223056:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cc(N2CCOCC2)ncc1F,MCYJJBOPFNRMFH-UHFFFAOYSA-N
rxn:5:190740:223061:223062,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cnc(C2CCNCC2)cc1F,HHNOSUSREBLNSN-UHFFFAOYSA-N
rxn:5:190740:223064:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FUZMKZSVUZWQSV-UHFFFAOYSA-N
rxn:5:190740:225982:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,YJFVPFWDHJVRDX-UHFFFAOYSA-N
rxn:5:190740:225982:225849,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,PKXBFHOJBBKZFJ-UHFFFAOYSA-N
rxn:5:190741:223056:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,JQKBERYPWSSOGI-UHFFFAOYSA-N
rxn:5:190741:223061:223006,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,AJQVHILEKKCVSG-UHFFFAOYSA-N
rxn:5:190741:223065:223056,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,MUTWCSYUYFCQTG-UHFFFAOYSA-N
rxn:5:190741:225976:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,AESJEEDRCRTHAV-UHFFFAOYSA-N
rxn:5:190741:225976:225784,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,SMISEHMQQWQPQB-UHFFFAOYSA-N
rxn:5:190742:223061:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(OC2CCOCC2)c1,LGBPUQRTURCGRF-UHFFFAOYSA-N
rxn:5:190742:225655:225803,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccnc(OC2CCOCC2)c1,JSTYDIGKXAAIQN-UHFFFAOYSA-N
rxn:5:190742:225881:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1ccc(N2CCOCC2)nc1F,HKKDEGCOTJWXKX-UHFFFAOYSA-N
rxn:5:190742:225976:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCNCC2)cc1F,OVDQLBRDWKXLLW-UHFFFAOYSA-N
rxn:5:190742:225978:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(N2CCOCC2)nc1F,UZHFSMGOTHLPFO-UHFFFAOYSA-N
rxn:5:190742:225982:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,JFVOGJMYMDZXFI-UHFFFAOYSA-N
rxn:5:190743:223064:223064,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,VSTPNTATODXFQS-UHFFFAOYSA-N
rxn:5:190743:225655:225849,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cnc(N2CCCCC2)cc1F,ATIDLURMNZTPFI-UHFFFAOYSA-N
rxn:5:190743:225849:225849,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,AKLZZANMWVSISC-UHFFFAOYSA-N
rxn:5:190743:225881:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,HTYARXSXIQTHHK-UHFFFAOYSA-N
rxn:5:190743:225980:225849,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,DKNHITHFRKOZJM-UHFFFAOYSA-N
rxn:5:190744:223062:225655,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,VCGWEJLXUSNPLB-UHFFFAOYSA-N
rxn:5:190744:223062:225833,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,STDQNCBYBJDPKS-UHFFFAOYSA-N
rxn:5:190744:225655:225976,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,TXPOPBNRHJTFOS-UHFFFAOYSA-N
rxn:5:190744:225784:225834,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,QWEIYMQQDLGWCG-UHFFFAOYSA-N
rxn:5:190744:225849:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,PYXXQXYOQVZYQW-UHFFFAOYSA-N
rxn:5:190832:226664:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,OBZAASIFUOFOEW-UHFFFAOYSA-N
rxn:5:190833:223273:227020,CNC(=O)c1cccc(-c2ccc(-c3cncc(C#CC4CC4)c3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1F,ZBAIDDVTSWUMKT-UHFFFAOYSA-N
rxn:5:190859:227044:226149,COc1ccc(-c2c(-c3ccc(C(=O)C4CC4)cc3)ccc3c2CCN3C(=O)OC(C)(C)C)cc1C(C)(C)C,ZRAYSFMJPJHZEQ-UHFFFAOYSA-N
rxn:5:190998:225849:225834,COC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,PVZBXSNVGRHJHL-UHFFFAOYSA-N
rxn:5:190998:226366:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,KTUOYGSLDMNBHH-UHFFFAOYSA-N
rxn:5:190998:226414:223105,CNS(=O)(=O)c1cc(-c2ccc(N3Cc4cc(-c5ccc(C6=NCCCO6)cc5)ccc4OCC3=O)c(C(=O)OC)c2)c(F)cc1C,MTOGZSVNDQYIGU-UHFFFAOYSA-N
rxn:5:190998:227379:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cccnc3N3CCCC3)ccc2OCC1=O,ZTVUJZMDAPEAFA-UHFFFAOYSA-N
rxn:5:191049:223061:225980,COc1cc(N2Cc3cc(-c4cc(C5CCNCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,WESKGXOXTNHEQI-UHFFFAOYSA-N
rxn:5:191049:223065:223065,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,WIMVWFADDHVCBB-UHFFFAOYSA-N
rxn:5:191049:223141:228712,COc1cc(N2Cc3cc(-c4cncc(C5CCNCC5)c4)ccc3OCC2=O)c(OC)cc1-c1ccnn1C1CCC1,RVYIWICNLBOPKA-UHFFFAOYSA-N
rxn:5:191049:225976:225834,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCCC2)ncc1F,RGELKHPWKSGFQN-UHFFFAOYSA-N
rxn:5:191049:226644:223065,COc1cc(N2Cc3cc(-c4cncc(N5CCOCC5)c4)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,KVOKHDMYXOYGEE-UHFFFAOYSA-N
rxn:5:191945:226046:222405,CC(=O)c1cc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c(-c2cccc(C3NC(=O)NC3=O)c2)cc1[N+](=O)[O-],ABPZHVVUJQAKKA-UHFFFAOYSA-N
rxn:5:192235:226037:226836,COc1cc(-c2ccc(C(F)(F)F)c(OC)c2F)c(-c2cn(C(C)C)nc2C(F)(F)F)cc1S(N)(=O)=O,DEEHFLMHCKXYEM-UHFFFAOYSA-N
rxn:5:193046:225937:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cc(C(F)(F)F)ncc2C(C)C)cc(C(C)(C)C)cc1[N+](=O)[O-],MDMOADMVGZJGEY-UHFFFAOYSA-N
rxn:5:193050:225871:226332,O=C(c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccccc1C(=O)N1CCC1)N1CCCC1,VJHWNTAYODJFKH-UHFFFAOYSA-N
rxn:5:193050:226032:226343,COc1cc(-c2ccc(-c3ccc(OC4CCOC4)cc3)c(C(=O)N3CCCC3)c2)c(F)c(C(F)(F)F)c1,AZDNUXAHMGIVNS-UHFFFAOYSA-N
rxn:5:193051:227766:226837,CCn1nc(C(F)(F)F)cc1-c1ccc(CN2CCCC2=O)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,HCRDMMOKNRXRRE-UHFFFAOYSA-N
rxn:5:193226:223061:226571,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cnn(CC3CCOCC3)c2)c1)N1CCOCC1,LMYWGMLRKXMALS-UHFFFAOYSA-N
rxn:5:193226:223062:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3cnc(C4CCNCC4)cc3F)c2)CC1,SICYQAPTPDVVDJ-UHFFFAOYSA-N
rxn:5:193226:223062:226364,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCCCC3)nc2)c1)N1CCOCC1,FWYDGNKAAGCQBC-UHFFFAOYSA-N
rxn:5:193226:226583:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,XIAMUPLPQZXXKW-UHFFFAOYSA-N
rxn:5:193227:223062:225976,O=C(c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,JLBDMBJPBUGLSP-UHFFFAOYSA-N
rxn:5:193227:226037:227800,COc1c(C(F)(F)F)ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(F)nc(C(F)(F)F)c3)c2)c1F,AZSNNOLTCKAPLV-UHFFFAOYSA-N
rxn:5:193228:222983:227106,Cc1cc(F)c(-c2cc(C(=O)N3CCSCC3)cc(-c3cccc(CN4CCC(O)C4)c3)c2)cc1C1CC1,HGTNDJJJOPJEOC-UHFFFAOYSA-N
rxn:5:193229:223063:222986,Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cc(F)nc(C3CCNCC3)c2)cc(C2CCCNC2)n1,KASAGAAMTYVVRY-UHFFFAOYSA-N
rxn:5:193230:223062:225590,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCCC2)c(F)c1)N1CCOCC1,WAWPYQULELYCLV-UHFFFAOYSA-N
rxn:5:193230:225976:223061,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,FBVCIFXFDBTECR-UHFFFAOYSA-N
rxn:5:193230:225978:225784,O=C(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,QRVVOGWZMNDQLZ-UHFFFAOYSA-N
rxn:5:193230:227316:223062,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3cnc(C4CCNCC4)cc3F)c2)cc(F)n1,UQIHDTNSYZXWBL-UHFFFAOYSA-N
rxn:5:193331:225980:225849,Fc1cnc(N2CCOCC2)cc1-c1ccc(CN2CCOCC2)c(-c2cnc(N3CCCCC3)cc2F)c1,PMUDIWNHZRXVML-UHFFFAOYSA-N
rxn:5:193382:222982:225986,O=S1(=O)CCCN1c1ccccc1-c1cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)ccc1S(=O)(=O)N1CCOCC1,LHVBPXZYMVWPMB-AREMUKBSSA-N
rxn:5:193382:225980:228712,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccnn1C1CCC1)N1CCOCC1,JRGPCSIEWJYHKJ-UHFFFAOYSA-N
rxn:5:193382:225986:225616,O=C(c1ccccc1-c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1S(=O)(=O)N1CCOCC1)N1CCCC1,XWATYJBSSHDMPQ-UHFFFAOYSA-N
rxn:5:193382:226395:226794,O=S(=O)(c1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1cnc(N2CCSCC2)nc1)N1CCOCC1,ZZSDPJXQRNGZNB-UHFFFAOYSA-N
rxn:5:193382:227020:226794,O=S(=O)(c1ccc(-c2cncc(C#CC3CC3)c2)cc1-c1cnc(N2CCSCC2)nc1)N1CCOCC1,HASWBWYNLLBXDC-UHFFFAOYSA-N
rxn:5:193382:228692:226661,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)s1,OSYWVIZFFNDCGN-UHFFFAOYSA-N
rxn:5:193460:226709:226779,Cc1cc(C(F)(F)F)cc(C)c1-c1cccc(C(=O)N2CCCCC2)c1-c1ccc(C(=O)C(F)(F)F)cc1,ZVLNCDOMQHRDHQ-UHFFFAOYSA-N
rxn:5:193461:223141:226746,CCc1cnc(C(F)(F)F)cc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1C(=O)N1CCCCC1,GWOIEKPYUTXPBA-UHFFFAOYSA-N
rxn:5:193465:225816:225584,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1cc(C2CC2)ccc1C(F)(F)F,QLBUYAXQRPZFDB-NRFANRHFSA-N
rxn:5:193465:225871:226774,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(OC(F)=C(F)F)cc2)c1-c1cccc(N2C(=O)C=CC2=O)c1,OQZLMWYVRMLJHT-SFHVURJKSA-N
rxn:5:193465:225986:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O,IEDSNZOTGPFSRV-QFIPXVFZSA-N
rxn:5:193465:226028:227095,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CC(=O)C3)cc2)c1-c1ccc(C(F)(F)F)c(C#N)c1F,SWXMVZBTTSMSMT-KRWDZBQOSA-N
rxn:5:193465:226042:227786,C[C@H]1CCCN1C(=O)c1cccc(-c2cnc(F)c(C(F)(F)F)c2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MPFMJDMKGDGCBU-ZDUSSCGKSA-N
rxn:5:193465:226046:227501,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccnc(C(F)(F)C(F)(F)F)c1,XNJQGYPERMXFDE-KRWDZBQOSA-N
rxn:5:193465:226158:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1N1CCCCC1,GQRTWNPXMAPHGJ-NRFANRHFSA-N
rxn:5:193465:226774:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc(OC(F)=C(F)F)cc1,PMQQZPGPZDKIRQ-INIZCTEOSA-N
rxn:5:193466:226041:226158,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2N2CCCCC2)cc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,YEPORPBOHXXUNZ-HXUWFJFHSA-N
rxn:5:193467:223173:226900,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc2c(c1)C(O)CS2(=O)=O,RALMQHRSZXLQBF-FXIRQEPWSA-N
rxn:5:193467:225407:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(C2CCCCCC2)cc1,BFQMJNIRWBVBIG-QFIPXVFZSA-N
rxn:5:193467:225938:227505,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)ccc1-c1cc(C(F)(F)F)ncc1C1CC1,ZMZUEAOJEMBBCM-SZEUEKNRSA-N
rxn:5:193467:226041:227080,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCC3)c2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,AFXSPFBWXTXZKY-IBGZPJMESA-N
rxn:5:193467:226883:225986,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1c(F)ccc(C(F)(F)F)c1F,RWKFNHASIQFHII-KRWDZBQOSA-N
rxn:5:193467:227761:225583,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1ccc(F)cc1C(F)(F)F,RLRDIMVKJKCGHI-IBGZPJMESA-N
rxn:5:193468:225450:227563,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1cccc(CC(F)(F)F)c1,QVKURUMRFFKRPN-NRFANRHFSA-N
rxn:5:193468:225584:227707,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1ccccc1OC(F)(F)F,LSGQDTWZIAQSID-FQEVSTJZSA-N
rxn:5:193468:225871:226774,C[C@H]1CCCN1C(=O)c1c(-c2ccc(OC(F)=C(F)F)cc2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,LCNNPJOEOBCPNC-SFHVURJKSA-N
rxn:5:193468:226042:227082,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2N2CCCC2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,NKQVAANEPPNWFY-IBGZPJMESA-N
rxn:5:193468:226046:227778,C[C@H]1CCCN1C(=O)c1c(-c2ccnc(C(F)(F)C(F)(F)F)c2)cccc1-c1cc(F)cc(F)c1[N+](=O)[O-],IXTWVDKBVCFXRF-ZDUSSCGKSA-N
rxn:5:193468:226084:226901,C[C@H]1CCCN1C(=O)c1c(-c2cccc(S(F)(F)(F)(F)F)c2)cccc1-c1ccc2c(c1)C(=O)CCCC2,KQLCMNMKVDALQH-IBGZPJMESA-N
rxn:5:193468:226742:226779,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C(F)(F)F)cc2)cccc1-c1ccc(C#N)cc1C(F)(F)F,HIIAGFCHZXTWIW-INIZCTEOSA-N
rxn:5:193469:227682:225653,CC1CCCCN1c1ccc(-c2cc(-c3cc(C#N)cc([N+](=O)[O-])c3)ccc2C(=O)N2CCC[C@H]2C)cn1,HPIOQLYGZRDURX-BPGUCPLFSA-N
rxn:5:193506:222404:229091,CC(=O)c1occc1-c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,QKQOFUWUBJAFOA-UHFFFAOYSA-N
rxn:5:193506:222417:226652,Cc1cc(-c2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2S(=O)(=O)N2CCC(=O)CC2)n(C2CCCCO2)n1,JHTDTXKTBYMRJW-UHFFFAOYSA-N
rxn:5:193506:223389:226374,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cncnc2C2CCCCC2)c1,BFXZGURZNMTFCH-UHFFFAOYSA-N
rxn:5:193506:223389:228496,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(CC(F)(F)F)c2)c1,DJYQMIIIOGFRGW-UHFFFAOYSA-N
rxn:5:193506:225832:229163,COc1cc(-c2cc(-c3c(C)nn(C4CCCCO4)c3C)ccc2S(=O)(=O)N2CCC(=O)CC2)cnn1,HOPZCLBOGWOEMF-UHFFFAOYSA-N
rxn:5:193506:225936:229049,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc3n2CCC3)c1,JUBLUYHMDBBLAI-UHFFFAOYSA-N
rxn:5:193506:226185:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(C3CCOCC3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,PEHKDAMWQAVPKI-UHFFFAOYSA-N
rxn:5:193506:226466:225926,CN1C(=O)COc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)ccc21,WOBHZESVSGEDOO-UHFFFAOYSA-N
rxn:5:193506:226652:228720,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3c(C)cnn3C(C)C)c2)n(C2CCCCO2)n1,ZKMSWTSIOHLTNC-UHFFFAOYSA-N
rxn:5:193506:226739:227203,CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)OCCCO4)c2)cc1[N+](=O)[O-],AZDHKIRFCHYLBF-UHFFFAOYSA-N
rxn:5:193506:226774:223346,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2-c2ccc3c(c2)CNC3=O)CC1,DZJPVNXXYSDZJG-UHFFFAOYSA-N
rxn:5:193506:226901:228876,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cnn(C3CC3F)c2)CC1,SWDZPTPYILGWEA-UHFFFAOYSA-N
rxn:5:193506:227183:225616,CN1Cc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccccc4C(=O)N4CCCC4)c3)ccc2C1=O,RZXTZIHHNSGBLU-UHFFFAOYSA-N
rxn:5:193506:227206:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccc3c(c2C)COC3=O)ccc1S(=O)(=O)N1CCC(=O)CC1,BCXUYJBCNNFBFV-UHFFFAOYSA-N
rxn:5:193506:227279:228680,CCCn1nc(C)cc1-c1cc(-c2cc(C3CC3)nn2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,SDLMTRYEPBZDSH-UHFFFAOYSA-N
rxn:5:193506:227767:226084,CCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)C(=O)CCCC4)c2)c(C(F)(F)F)n1,UJCMCLIRXOQMNW-UHFFFAOYSA-N
rxn:5:193506:227767:227610,CCn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccn(C4CCCCO4)n3)c2)c(C(F)(F)F)n1,OCZUCWZMYOQYTM-UHFFFAOYSA-N
rxn:5:193506:227863:226749,COc1cccc(C(F)(F)F)c1-c1cc(-c2ccc3c(c2)CCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,ZIADROPPESZFAY-UHFFFAOYSA-N
rxn:5:193506:228193:227385,Cc1nc(C(C)(C)C)ncc1-c1cc(-c2cnn(C3CCCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,PTFFBDUWXPJLKE-UHFFFAOYSA-N
rxn:5:193506:228501:226382,Cn1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCCC4)nc3)c2)c1C(F)(F)F,KQIVCMGNUSKDRT-UHFFFAOYSA-N
rxn:5:193506:228712:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccnn2C2CCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,KLMCNISWQKDGOU-UHFFFAOYSA-N
rxn:5:193506:228974:225794,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(OC4CCCCC4)nc3)c2)cn1,YKAUQBQIMWFJTB-UHFFFAOYSA-N
rxn:5:193652:222409:225932,COc1ccc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(N(C)C)c(C(F)(F)F)c5)cc4)C(=O)O3)cc2)cc1S(N)(=O)=O,HKKOIUWNAIQSHY-UHFFFAOYSA-N
rxn:5:193653:222409:225932,COc1ccc(-c2ccc(C=C3N=C(c4ccc(-c5ccc(N(C)C)c(C(F)(F)F)c5)cc4)OC3=O)cc2)cc1S(N)(=O)=O,GYPVFMNSROTEBW-UHFFFAOYSA-N
rxn:5:193653:222990:226144,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(N6CCC(O)CC6)cc5)cc4)C(=O)O3)cc2)cc1,SNNLRPYELRAFGK-UHFFFAOYSA-N
rxn:5:193653:222990:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(N6CCC(O)CC6)cc5)cc4)C(=O)O3)cc2)c1,UACGPIOKHIGJBR-UHFFFAOYSA-N
rxn:5:193653:226349:225394,CC(C)(C)Oc1cc(F)cc(-c2ccc(C=C3N=C(c4ccc(-c5cc(C6CCC6)cc(C6CC6)c5)cc4)OC3=O)cc2)c1,VVVYDXUNTGRKCM-UHFFFAOYSA-N
rxn:5:193710:222409:226854,COc1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5c(F)ccc(OC)c5[N+](=O)[O-])cc4)SC3=S)c2)cc1S(N)(=O)=O,LACYISNUPNMWFG-UHFFFAOYSA-N
rxn:5:193710:226040:223285,Cc1c(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccccc5NS(C)(=O)=O)cc4)SC3=S)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],VTPMXSGCOBTQPJ-UHFFFAOYSA-N
rxn:5:193749:226969:226884,CC1CCCCN1C(=O)c1cc(-c2ccc3c(c2)CCCC3=O)ccc1-c1c(F)cc(C(F)(F)F)cc1F,BIFVBSLGFAYSPH-UHFFFAOYSA-N
rxn:5:193749:227748:226900,CC1CCCCN1C(=O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,MAQBATNSOXJEKQ-UHFFFAOYSA-N
rxn:5:193750:226900:228016,CC1CCN(C(=O)c2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2-c2cc(C3CCCC3)cs2)CC1,NTXNROLABMGRSM-UHFFFAOYSA-N
rxn:5:193751:226900:227563,CC1CCCN(C(=O)c2cc(-c3cccc(CC(F)(F)F)c3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)C1,WGZRBMIMHBVOPT-UHFFFAOYSA-N
rxn:5:193752:223008:223344,CC1CCCN(C(=O)c2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3cccc4c3CC(=O)N4)c2)C1,VUHVDVVVEQZSPB-UHFFFAOYSA-N
rxn:5:193752:227426:225514,CC1CCCN(C(=O)c2ccc(-c3ccc(C4CCCO4)nc3)c(-c3cccc4c3OCC3(CC3)CO4)c2)C1,OKBUIQVFUSCKBV-UHFFFAOYSA-N
rxn:5:193754:228653:226836,CC1CCN(C(=O)c2cccc(-c3cnn4c3CCCC4)c2-c2cn(C(C)C)nc2C(F)(F)F)CC1,YNXNTOFTJMQKFH-UHFFFAOYSA-N
rxn:5:193755:226901:227450,CC1CCCN(C(=O)c2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2cccc(C3CC3(F)F)c2)C1,NFLCXGXYYAHWFG-UHFFFAOYSA-N
rxn:5:193756:226601:226592,CC(C)Oc1cc(F)c(F)cc1-c1cc(-c2c(OC(C)C)ccc(F)c2F)ccc1C(=O)N1CCCCC1C,YIVJYRBVHJVOIX-UHFFFAOYSA-N
rxn:5:193809:225472:226901,CC1CCN(Cc2ccc(-c3cccc(N4CCCCC4C)c3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,VCPDOHCNPFMVSJ-UHFFFAOYSA-N
rxn:5:193869:223388:227684,Cc1cc(-c2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(CC2OCCO2)c1,RFXVWEKIASSWOA-UHFFFAOYSA-N
rxn:5:193869:226837:226837,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1c(C)nn(CC(F)(F)F)c1C,UWVVNVCBXICPAA-UHFFFAOYSA-N
rxn:5:193869:227517:227348,COc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(OC4COC4)nc3)cc2C)c(C)c1OC,OTWOQMXXCLWUPD-UHFFFAOYSA-N
rxn:5:193869:228653:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn3c2CCCC3)cc1C,SXYFMDGSIVJGNZ-UHFFFAOYSA-N
rxn:5:193870:223389:223216,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)CCC(=O)N3)cc1-c1c(C)n[nH]c1C(F)(F)F,FSLXDSWIGCERBU-UHFFFAOYSA-N
rxn:5:193870:226215:228401,CO/N=C1\CCc2cc(-c3cc(-c4c(F)ccc(F)c4OC)c(S(=O)(=O)N4CCCCC4)cc3C)ccc21,XKUPUHLKMGJFIB-HMZBKAONSA-N
rxn:5:193870:227610:228866,COCc1noc(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)c(C)cc1S(=O)(=O)N1CCCCC1,SLTNFWWXALPJDQ-UHFFFAOYSA-N
rxn:5:193872:223007:228214,O=C(c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2cnc(C3CC3)cc2F)c1)N1CCC2(CC1)CC2,ZTHDVNXEBOQZRL-UHFFFAOYSA-N
rxn:5:193872:223289:226741,CNS(=O)(=O)c1ccccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cc(C(F)(F)F)ccc1C#N,XGXDWUNKFMQFKW-UHFFFAOYSA-N
rxn:5:193872:225933:228478,O=C(c1ccc(-c2cc(C3CC3)nc(C(F)(F)F)c2)c(-c2cncc(C(F)(F)F)c2)c1)N1CCC2(CC1)CC2,PQVCZPYBIYTJNE-UHFFFAOYSA-N
rxn:5:193872:226130:225641,CC1CCCN(c2cc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3ccc(CN4CCCC4)cc3)ccn2)C1,HFKLBSFULWYXGK-UHFFFAOYSA-N
rxn:5:193892:226438:222986,Cc1cc(-c2ccc(C3SCC(=O)N(c4ccc(-c5cnc(C6CCCC6)cc5F)cc4)C3=O)cc2)cc(C2CCCNC2)n1,FYMDKEYBGACXHJ-UHFFFAOYSA-N
rxn:5:193912:227044:227804,O=C(c1ccc(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5cc([N+](=O)[O-])sc5[N+](=O)[O-])cc4)C3=O)cc2)cc1)C1CC1,MQVKEAWFGWYMLI-UHFFFAOYSA-N
rxn:5:193932:223145:226901,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc(C4CCC(=O)N4)cc3)c2)C1,UWVDKLSINPDODI-UHFFFAOYSA-N
rxn:5:193932:228631:226901,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccsc3C3CCC3)c2)C1,SCQWYYRHTJITRU-UHFFFAOYSA-N
rxn:5:193967:223389:228459,COc1ncc(-c2cc(-c3c(C)n[nH]c3C(F)(F)F)ccc2CN2CCC3(CC2)OCCO3)c(SC)n1,AGNYIZWWIMBNSL-UHFFFAOYSA-N
rxn:5:193967:226452:228555,COCc1ccccc1-c1cc(-c2ccc(C3OCCCO3)cc2)ccc1CN1CCC2(CC1)OCCO2,VAMAOOKFFOMCET-UHFFFAOYSA-N
rxn:5:193967:226464:227863,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCCO4)c1)OCCO2,XSRSFOUOHFCUNG-UHFFFAOYSA-N
rxn:5:193967:226464:228540,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3COC4)c1)OCCO2,GOTOEDGAKIIKOI-UHFFFAOYSA-N
rxn:5:193967:227766:228460,CCn1nc(C(F)(F)F)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2c(OC)ncnc2OC)c1,ADKCXUJPBGFZGP-UHFFFAOYSA-N
rxn:5:193967:227863:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,MSMNXUGOKGFUGG-UHFFFAOYSA-N
rxn:5:193967:227875:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3CCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,FYDDJKPQGMKKEE-UHFFFAOYSA-N
rxn:5:193967:228499:225881,Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(C3CCOCC3)nc2F)c1,GIALYZZPNLILNG-UHFFFAOYSA-N
rxn:5:193967:229061:225980,CC(C)n1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(N4CCOCC4)ncc3F)c2)cn1,NLVGECZIQABOQJ-UHFFFAOYSA-N
rxn:5:193968:226452:228555,COCc1ccccc1-c1ccc(-c2ccc(C3OCCCO3)cc2)cc1CN1CCC2(CC1)OCCO2,NBEBBGAHLSEMIE-UHFFFAOYSA-N
rxn:5:193968:226464:223397,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCN4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,LTACRLXCWXDMNM-UHFFFAOYSA-N
rxn:5:193968:226464:227863,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,LSFGOBQPTOQBQZ-UHFFFAOYSA-N
rxn:5:193968:226464:228529,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,XADRMQHSSXVBNT-UHFFFAOYSA-N
rxn:5:193968:226611:228621,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(C)cc2SC)c(CN2CCC3(CC2)OCCO3)c1,MDYVUIBBASRLHN-UHFFFAOYSA-N
rxn:5:193968:226837:228677,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnn(CC(C)C)c2)c(CN2CCC3(CC2)OCCO3)c1,MRVRHVNNBDJGNC-UHFFFAOYSA-N
rxn:5:193968:227863:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,DBKGDWOCQTXZJB-UHFFFAOYSA-N
rxn:5:193968:227875:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FYAWFIMUWIYDOY-UHFFFAOYSA-N
rxn:5:193968:228100:227766,CCCn1nc(C)c(-c2ccc(-c3cc(C(F)(F)F)nn3CC)c(CN3CCC4(CC3)OCCO4)c2)c1C,PSYGKXDPQQYIAC-UHFFFAOYSA-N
rxn:5:193968:228454:228496,COc1cc(-c2ccc(-c3cnn(CC(F)(F)F)c3)c(CN3CCC4(CC3)OCCO4)c2)c(OC)nn1,OFTWVUZFCSOQGZ-UHFFFAOYSA-N
rxn:5:193968:228529:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,ZVIWHFCEDLNHQX-UHFFFAOYSA-N
rxn:5:193972:225832:223459,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1[nH]ncc1C,ROUUHFQBECTOQS-UHFFFAOYSA-N
rxn:5:193972:226837:228867,CCc1nc(OC)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(C)nn(CC(F)(F)F)c3C)cc2C)s1,RFBMSHQYPVZTGH-UHFFFAOYSA-N
rxn:5:193972:227517:228312,COc1cnc(C#N)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(OC3COC3)nc2)cc1C,GGFMILGGJSLQEM-UHFFFAOYSA-N
rxn:5:193972:227800:223389,Cc1cc(-c2cc(F)nc(C(F)(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,UHHRXJXUEQVUOS-UHFFFAOYSA-N
rxn:5:193972:228062:223389,Cc1cc(-c2cncc3c2CCCO3)c(S(=O)(=O)N2CCCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,QLHYIIIXQVBNQC-UHFFFAOYSA-N
rxn:5:193972:228198:227766,CCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cnc(C(C)C)nc2C)cc1C,UJFNEOXVJJODDC-UHFFFAOYSA-N
rxn:5:193972:228495:223438,Cc1cc(-c2ccn(CC(F)(F)F)n2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn[nH]c1C(F)(F)F,JZWFPIYMBJSPDJ-UHFFFAOYSA-N
rxn:5:194397:223062:227317,CC(C)(C)Oc1cc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cnc(C4CCNCC4)cc3F)c2)ccn1,LIUBMXFGLRZRJN-UHFFFAOYSA-N
rxn:5:194399:226038:227402,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(C(=O)N2CC3CC3C2)cc1-c1cc(F)nc(C(C)(C)C)c1,DGPBAMOBDQLIIH-UHFFFAOYSA-N
rxn:5:194522:226180:225985,Cc1cc(-c2ccc3c(c2-c2cccc(N4CCCS4(=O)=O)c2)CCN3CC(C)C)cc(C2CCCC2)n1,RSSHNFCNVSUFQW-UHFFFAOYSA-N
rxn:5:194561:226900:227027,N#CC1(c2ccccc2-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)CC1,QWCAVVLYGLYFSE-UHFFFAOYSA-N
rxn:5:194561:226900:228970,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(C(F)(F)F)s1)N1C2CCC1COC2,PFDGIKFGXPMOLQ-UHFFFAOYSA-N
rxn:5:194561:226901:226736,N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C(=O)N1C2CCC1COC2,RVJSKRARERGECP-UHFFFAOYSA-N
rxn:5:194658:226709:223058,Cc1cc(C(F)(F)F)cc(C)c1-c1cccc(CN2Cc3cc(-c4cc(F)nc(C5CCCNC5)c4)ccc3OCC2=O)c1,NTRANFXIFDWYBO-UHFFFAOYSA-N
rxn:5:194659:226374:225988,O=C1COc2ccc(-c3cncnc3C3CCCCC3)cc2CN1Cc1cccc(-c2c(F)cc(C3OCCO3)cc2F)c1,CQVOTNBWYNAATD-UHFFFAOYSA-N
rxn:5:194688:225834:227376,COc1cc(-c2cncc(N3CCCC3)c2)cc2c1OCC(=O)N(c1ccc(-c3cc(N4CCCCC4)ncc3F)cc1)C2,MBDCVWGXAJAUMY-UHFFFAOYSA-N
rxn:5:194688:225849:227376,COc1cc(-c2cncc(N3CCCC3)c2)cc2c1OCC(=O)N(c1ccc(-c3cnc(N4CCCCC4)cc3F)cc1)C2,XPFZMLZDLCQWRD-UHFFFAOYSA-N
rxn:5:194733:225486:226900,O=C(c1cc(-c2ccc(F)c(-c3ccccc3)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,QIOOEMLXJRACBK-UHFFFAOYSA-N
rxn:5:194733:226900:229216,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccccc1F)N1C2CCC1CC(=C1CC1)C2,ILXXAORFQGXPAJ-UHFFFAOYSA-N
rxn:5:194733:226901:225481,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cccc(-c2ccccc2)c1F)N1C2CCC1CC(=C1CC1)C2,PRBLDUXJPVAQLX-UHFFFAOYSA-N
rxn:5:194733:227095:227673,CC(F)(F)c1cccc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,DMNQNXKUDXPHRJ-UHFFFAOYSA-N
rxn:5:194733:227301:228574,Cc1ccc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c(C#N)c1,VDZZMDTWHNPMMR-UHFFFAOYSA-N
rxn:5:194733:228531:226900,O=C(c1cc(-c2cccc3c2CCO3)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,FSOHVRICJWZHDS-UHFFFAOYSA-N
rxn:5:194733:228790:226901,O=C(c1cc(-c2cccc(C(F)F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,MBFOWOIYDIOMIZ-UHFFFAOYSA-N
rxn:5:194767:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,NTANYBQHFVVMLO-UHFFFAOYSA-N
rxn:5:194767:226679:223064,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCCC5)cc4F)ccc3-c3ccc(C4CCNCC4)nc3F)C2)c2ccccc21,ANHGVHIQTNMVJD-UHFFFAOYSA-N
rxn:5:194767:227125:227506,O=C1OC2(CCCN(C(=O)c3cc(-c4ccccc4C4CCOC4)ccc3-c3cccc(/C=C/[N+](=O)[O-])c3)C2)c2ccccc21,YTHJCLDPGVFKEJ-XDJHFCHBSA-N
rxn:5:194767:228124:222988,CCOc1cc(C)c(-c2ccc(-c3cc(C)nc(C4CCNCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cn1,YIIBGKSDJNTTAV-UHFFFAOYSA-N
rxn:5:194767:228602:226900,CC(=O)c1ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1,YVVAZDAWWNWPPZ-UHFFFAOYSA-N
rxn:5:194767:228629:227682,N#Cc1cc(-c2ccc(-c3ccc(C4CCC4)s3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc([N+](=O)[O-])c1,UAAUCIQPWHKJHM-UHFFFAOYSA-N
rxn:5:194782:225603:228048,Cn1ccc2cc(-c3ccc(-c4cccc(C5(C#N)CCC5)c4F)cc3C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cnc21,MDVATJAVPXLZJB-UHFFFAOYSA-N
rxn:5:194782:226154:226980,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc3c2C(=O)CCC3)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,WZOABFRFRLRZLV-UHFFFAOYSA-N
rxn:5:194782:227736:229061,Cc1ncc(C(F)(F)F)cc1-c1ccc(-c2cnn(C(C)C)c2)c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,JCCTXBSPIBMHKU-UHFFFAOYSA-N
rxn:5:194791:227805:226901,O=C1C2C(c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc2ccccc2c1,DTAPLAVZHUZQCS-UHFFFAOYSA-N
rxn:5:194792:225455:227748,Cc1ccc(N2CCCCC2)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(F)c(C(F)(F)F)c5)cc4)C(=O)C23)cc1,IHZCJEIKZZVIHV-UHFFFAOYSA-N
rxn:5:196173:225832:226837,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)cc(-c2c(C)nn(C3CCCCO3)c2C)c1S(N)(=O)=O,VJQJMEYDYPLXQZ-UHFFFAOYSA-N
rxn:5:196408:223062:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3cnc(C4CCNCC4)cc3F)c2)c1,JCLOTQLIPKFWLS-UHFFFAOYSA-N
rxn:5:196408:225639:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cccnc2N2CCC(C)CC2)c1,YCYGQKQCQCAIPY-UHFFFAOYSA-N
rxn:5:196408:225810:223010,COc1ccc(-c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2C2=NOCCO2)c(C2OCCO2)c1,ZFZONARQKDLILK-UHFFFAOYSA-N
rxn:5:196533:226738:225871,CC(=O)c1ccc(-c2ccc(N3C(=O)CC(c4cccc(N5C(=O)C=CC5=O)c4)C3=O)cc2)c([N+](=O)[O-])c1,UROKBFSZOLCBQT-UHFFFAOYSA-N
rxn:5:196789:225881:225784,O=C1COCCN1c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccc(CN2CCOCC2)nc1,DZEHLUOAERLRES-UHFFFAOYSA-N
rxn:5:196789:226794:223064,O=C1COCCN1c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1F,BJESZXIMOUECHA-UHFFFAOYSA-N
rxn:5:196789:227612:225617,O=C1COCCN1c1ccc(-c2cnn(C3CCCCO3)c2)cc1-c1ccc(OC2CCCCO2)cc1,WLSNVEBDNAHPTC-UHFFFAOYSA-N
rxn:5:196791:223141:225834,O=C1COCCN1c1cccc(-c2cncc(C3CCNCC3)c2)c1-c1cc(N2CCCCC2)ncc1F,QSCKVMFSZVTAIY-UHFFFAOYSA-N
rxn:5:196791:225832:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2c(C)nn(C3CCCCO3)c2C)cccc1N1CCOCC1=O,SWABGXCBDOUIHB-UHFFFAOYSA-N
rxn:5:196791:225980:225833,O=C1COCCN1c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1F,PGVSYYBTDFTPNI-UHFFFAOYSA-N
rxn:5:196791:227657:225616,O=C(c1ccccc1-c1c(-c2ccc(N3CCOCC3)s2)cccc1N1CCOCC1=O)N1CCCC1,NJIRGFHOGNNWJD-UHFFFAOYSA-N
rxn:5:196791:227684:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2cnn(CC3OCCO3)c2)cccc1N1CCOCC1=O,YTBYWGGWWVMBFX-UHFFFAOYSA-N
rxn:5:196794:225849:226794,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1cnc(N2CCSCC2)nc1,XOJBPXRLIKOJLN-UHFFFAOYSA-N
rxn:5:196794:226588:225784,O=C1COCCN1c1cc(-c2cc(OC3CCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)nc1,FRTTZMFSZVPZCJ-UHFFFAOYSA-N
rxn:5:196918:225832:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2c(C)nn(C3CCCCO3)c2C)cccc1N1CCCCC1=O,NWAAKCMKPFUIDM-UHFFFAOYSA-N
rxn:5:196923:222994:226901,O=C1CCCCN1c1ccc(-c2cccc(N3CCC(O)CC3)c2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c1,KTPNCKUBKWTREK-UHFFFAOYSA-N
rxn:5:196923:226837:227766,CCn1nc(C(F)(F)F)cc1-c1cc(N2CCCCC2=O)ccc1-c1c(C)nn(CC(F)(F)F)c1C,KGJIUPMWUCNADJ-UHFFFAOYSA-N
rxn:5:197526:225940:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cc(C(F)(F)F)cnc2C2CC2)ccc2c1C(=O)CN2C(C)=O,PXFURFHQEGRKNF-UHFFFAOYSA-N
rxn:5:197526:225988:226778,COc1cc(-c2c(-c3c(F)cc(C4OCCO4)cc3F)ccc3c2C(=O)CN3C(C)=O)c(F)c(F)c1OC,SQIAJSWESFORPV-UHFFFAOYSA-N
rxn:5:197526:226845:226652,COc1ncc(C(F)(F)F)cc1-c1ccc2c(c1-c1cc(C)nn1C1CCCCO1)C(=O)CN2C(C)=O,FYQDTIHCPSLANO-UHFFFAOYSA-N
rxn:5:197526:227766:225933,CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1-c1cc(C3CC3)nc(C(F)(F)F)c1)C(=O)CN2C(C)=O,YHVMJXDHEWGRHF-UHFFFAOYSA-N
rxn:5:197572:227766:225832,CCn1nc(C(F)(F)F)cc1-c1cc2c(c(-c3c(C)nn(C4CCCCO4)c3C)c1)N(C(C)=O)CC2,LYYVDFULPINZRE-UHFFFAOYSA-N
rxn:5:197876:226085:227496,CCN(C)c1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,IYGQCPDNEVNJBE-UHFFFAOYSA-N
rxn:5:197876:226149:228972,COc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(C)(C)C,XQZSVYSEOHUHJL-UHFFFAOYSA-N
rxn:5:197876:226837:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1c(C)nn(CC(F)(F)F)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,RLZGVSISUCDQLA-UHFFFAOYSA-N
rxn:5:197876:228495:228199,Cc1nn(C2CCC2)cc1-c1cc2c(cc1-c1ccn(CC(F)(F)F)n1)S(=O)(=O)N(C(C)(C)C)C2=O,KQBNHNKGQJHKOK-UHFFFAOYSA-N
rxn:5:197876:228678:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1ccnn1CC(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,KDCYARIVEAKDIY-UHFFFAOYSA-N
rxn:5:199281:226054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cnc(C(F)(F)C(F)(F)F)nc1)CCC(=O)N2C,RARDGVQVTBZTDV-UHFFFAOYSA-N
rxn:4:173312:223712,CCOC(=O)CC(=O)Cc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,LFIYKCNOSMLYEP-UHFFFAOYSA-N
rxn:4:173389:222612,CCOC(=O)CCc1ccc(OC)cc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,FJULUINVRNDYAW-UHFFFAOYSA-N
rxn:4:173406:223814,COC[C@H](C)COCc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1,ZXNWDSKNEOZJDT-FQEVSTJZSA-N
rxn:4:173598:223948,COC(=O)COc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(C(=O)OC)cc(C(=O)OC(C)(C)C)c1,BIORBIFTCDSIKT-UHFFFAOYSA-N
rxn:4:173745:223696,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1Cl,UGAXCGAXNLZOGO-UHFFFAOYSA-N
rxn:4:173786:224321,COC(=O)c1c(F)cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1OCC(F)F,UIHYFGIBNIGLEC-UHFFFAOYSA-N
rxn:4:173796:224829,COC(=O)c1cc(F)c(OCC(F)(F)F)c(-c2ccc(C(=O)OC)c(OC(F)(F)F)c2)c1,XENSENRQKMUBCN-UHFFFAOYSA-N
rxn:4:173798:224180,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccccc1OCCN1CCN(C)CC1,XGKLVADKBPRVMF-UHFFFAOYSA-N
rxn:4:173865:223590,COCCOc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,ZNIOBKVWVJPPBK-UHFFFAOYSA-N
rxn:4:173865:223595,COCCOc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,RBOSRQJUGLNPGQ-UHFFFAOYSA-N
rxn:4:174102:224060,COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1,KASSHXJUBODLMK-UHFFFAOYSA-N
rxn:4:174264:223507,COCCOc1ccccc1-c1ccccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VSSOCMKDQKYBCZ-UHFFFAOYSA-N
rxn:4:174316:222702,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1cc(C2CCCNC2)ccc1C(F)(F)F,VPSXWXIZDVJBTH-UHFFFAOYSA-N
rxn:4:174378:224065,COc1ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc1OCCC1OCCCO1,KSWFPKLHYBOCPA-UHFFFAOYSA-N
rxn:4:174378:224552,COc1ccc(-c2cc(F)cc(COC3CCCCC3)c2)cc1OCCC1OCCCO1,VEOLKWNCEQGLQD-UHFFFAOYSA-N
rxn:4:174406:222634,COC(=O)C1(c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)CC(OC)(OC)C1,XTPRWHWZSUMXQD-UHFFFAOYSA-N
rxn:4:174406:223976,COC(=O)C1(c2ccc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)cc2)CC(OC)(OC)C1,PRDNFKUZNMDMQR-UHFFFAOYSA-N
rxn:4:174406:225223,COC(=O)C1(c2ccc(-c3cnc(N4CCC(C)CC4)cc3F)cc2)CC(OC)(OC)C1,WGEVUMOWWYAYHY-UHFFFAOYSA-N
rxn:4:174407:223976,COC(=O)C1(c2cccc(-c3cc(OC4CCCC4)cc(OC(F)(F)F)c3)c2)CC(OC)(OC)C1,SHHJIEYXGRZITR-UHFFFAOYSA-N
rxn:4:174483:224374,COc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1CO[Si](C)(C)C(C)(C)C,XGNCVFSRHICWOM-UHFFFAOYSA-N
rxn:4:174519:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(OC4CCC(OCc5ccccc5)CC4)c(F)c3)c(F)c2)CC1,LUGBJHSHEVBNJH-UHFFFAOYSA-N
rxn:4:174524:224588,COc1cc(C=Cc2cccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)c2C)c(C(F)(F)F)cc1C1OCCO1,BGIAZPFYDFWSOT-UHFFFAOYSA-N
rxn:4:174663:226300,CCCC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,GVLNMVLXYBVACF-XHCDPWOSSA-N
rxn:4:174663:226636,Cc1ccn(-c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cn2)n1,QTNHXLODNMNCCP-AMNGXLNPSA-N
rxn:4:174663:226747,CCc1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C(F)(F)F,VKFKYLBJYAKZOL-QQXXBIGFSA-N
rxn:4:174663:226828,Cc1cc(Cl)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1C(F)(F)F,JGSZYJODABATDU-SSFXTOADSA-N
rxn:4:174663:226853,COc1ccc(Cl)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1[N+](=O)[O-],HXEBXHZLAKCIQW-ZELPZJLASA-N
rxn:4:174663:226912,Cc1cc(CC(C)C)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,OVVYOJQHNQIWDL-HTDAYYDWSA-N
rxn:4:174663:226954,Cc1ccc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cnc2c1,AJKPNLGMLOQJAI-GOKZJXRRSA-N
rxn:4:174663:227157,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c2cnn(C)c2c1,KEHIDBVNLJAPAA-MSBNUECNSA-N
rxn:4:174663:227272,COCc1ccc(OC)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,LMBZQSMYPQBJKZ-FQEXLZSCSA-N
rxn:4:174663:227664,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc(C(F)(F)F)c1,KYEOCQFKCSASSW-XVDHNCDISA-N
rxn:4:174663:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,ILLYISWMNKWOHI-YLOZASHQSA-N
rxn:4:174663:228536,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3ccoc23)cc1,YWICSPMYFLXGPS-OUYRWIGOSA-N
rxn:4:174663:228784,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1F,CSDZOJPQADUUCP-QQXXBIGFSA-N
rxn:4:174829:223596,COc1cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCC(F)(F)F,VJYPSHZAHOPYJN-UHFFFAOYSA-N
rxn:4:175044:223696,CCOC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc(OC)c1Cl,AMPVUSWCFNSCDI-UHFFFAOYSA-N
rxn:4:175055:223832,CCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc(C(=O)OC)c1F,OLVCTVDKEBPBJR-UHFFFAOYSA-N
rxn:4:175320:223696,CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,UDTRFORMZJPSKM-PKTZIBPZSA-N
rxn:4:175324:223696,CCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,REDFQPBWLWOSSK-XZOQPEGZSA-N
rxn:4:175341:223832,COC(=O)C(c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)ccc1F)C1CC1,QPWGGSQYFVMUMW-UHFFFAOYSA-N
rxn:4:175429:223712,COC(=O)c1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c(OC)c(OC)c1C,TZNXXXLYFYIZNU-UHFFFAOYSA-N
rxn:4:175729:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(OCCC4OCCCO4)c(F)c3)c2)C1,BLNLHHHUBRHHJX-UHFFFAOYSA-N
rxn:4:175808:224056,C#Cc1cccc(OCC2CCOCC2)c1-c1ccc([C@H]2CC[C@H](CCC)CC2)cc1F,VYRAJRRMXGVVJA-SAIGFBBZSA-N
rxn:4:175928:224056,C#Cc1cccc(OCC2CCCCC2)c1-c1ccc([C@H]2CC[C@H](CCC)CC2)cc1F,GEQZLPQAMROCKJ-RZFKFIIISA-N
rxn:4:175981:223695,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,UZVGWFQFYOGUDN-RPBOFIJWSA-N
rxn:4:176050:225191,COc1cc(C2OCCCO2)c(-c2cnc(OC3CCCCC3)cc2F)c(OC)c1OC,FZAUZNLQCMUSIQ-UHFFFAOYSA-N
rxn:4:176085:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CO[Si](C)(C)C(C)(C)C)cc1,CIWBTNGHMDACQG-UHFFFAOYSA-N
rxn:4:176317:227812,CC(C)Cc1cccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)c1,PEAPIYRMELRYRA-UHFFFAOYSA-N
rxn:4:176731:222426,COC(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(F)c1C(F)(F)F,XFQAYKMNEPFBEP-UHFFFAOYSA-N
rxn:4:177158:223592,CCOC(=O)c1cc(C)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,POHAMKRBBQPXBP-UHFFFAOYSA-N
rxn:4:177228:223840,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(C)(=O)=O,UPNFNPRFXBUMIR-UHFFFAOYSA-N
rxn:4:177338:223506,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CC2)c1,NUFXSXDXOOFSOC-UHFFFAOYSA-N
rxn:4:177706:223503,COc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(C2CC2)cc1OC,VVUBNRJEBAOTNH-UHFFFAOYSA-N
rxn:4:178041:223521,CC(c1cccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,QVZKXAPMBUALPO-UHFFFAOYSA-N
rxn:4:178041:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)CC1,ZVPULQDKGSUTMS-UHFFFAOYSA-N
rxn:4:178384:226226,COCCOCc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,CCGAQHXPHGGJMI-UHFFFAOYSA-N
rxn:4:178384:226245,CCCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,ZHFJRYZXRWNKKP-UHFFFAOYSA-N
rxn:4:178384:226246,CCCCOc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,CFPBGYJDVZUHIS-UHFFFAOYSA-N
rxn:4:178384:226262,CCCCOc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,ITNAXAWLGDHNRQ-UHFFFAOYSA-N
rxn:4:178384:226543,CCCOc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,WEAXEHNQKUMZHR-UHFFFAOYSA-N
rxn:4:178384:227561,COc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,UZCQFGSQVOYECB-UHFFFAOYSA-N
rxn:4:178384:227562,COc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,NFYFHSICLANJCW-UHFFFAOYSA-N
rxn:4:178384:227564,COc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,HFTYZONIEIZYEX-UHFFFAOYSA-N
rxn:4:178384:227567,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)c1OC,GSRHLILUQLRKSY-UHFFFAOYSA-N
rxn:4:178384:227574,COc1c(F)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,BZEMAVBMPMYXOZ-UHFFFAOYSA-N
rxn:4:178384:227580,COc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,HGVWVQSJKPRSRB-UHFFFAOYSA-N
rxn:4:178384:227587,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(F)c1OC,NVFQKIUFCQITED-UHFFFAOYSA-N
rxn:4:178474:223958,CCOC(=O)c1oc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)c2c1CCCC2,HRDUCNXGUQCBKA-UHFFFAOYSA-N
rxn:4:178588:224650,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cc(F)ccc3OCC3CCOCC3)ccc2C1,UMCODUACCNWHSV-UHFFFAOYSA-N
rxn:4:178594:223005,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(C2CCNCC2)c(Cl)c1,YTSWHNGYARRRMX-UHFFFAOYSA-N
rxn:4:178598:224592,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(C3(C#N)CCCCC3)ccc2F)c1,IESJKIXUKWJBSQ-UHFFFAOYSA-N
rxn:4:178598:225035,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2OC2CCCCC2)c1,WULOSZAJYKCIFF-UHFFFAOYSA-N
rxn:4:179746:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C4COC4)c(C(F)(F)F)c3)ccc2F)CC1,ALDGHLYZCGFMOR-UHFFFAOYSA-N
rxn:4:180022:223501,COc1c(Cl)ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1C1OCCO1,GDVOGPYPWPHTFD-UHFFFAOYSA-N
rxn:4:180290:223812,COc1c(C)cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1C1OCCO1,ADLZTQAWXLDDDD-UHFFFAOYSA-N
rxn:4:180414:225326,CCOC(=O)c1ccc(-c2ccc(SC=C3C(=O)OC(C)(C)OC3=O)cc2)c([N+](=O)[O-])c1,REAFQUHLUMMTRL-UHFFFAOYSA-N
rxn:4:180772:223846,CCC1(CC)CCc2cc(-c3cc(C)cc(C4CC5CCC4(C)C5(C)C)c3)ccc2C1=O,NTLSUMFLYPWSJW-UHFFFAOYSA-N
rxn:4:182090:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)cc2)cc([N+](=O)[O-])c1,RLFUAHKXRHDJPX-UHFFFAOYSA-N
rxn:4:183271:222818,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)cc1NC(C)=O,PETSTSWHLCMXLB-UHFFFAOYSA-N
rxn:4:183271:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,DFQICCHZLFEWRL-UHFFFAOYSA-N
rxn:4:183272:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OBMNUFSTLPYLRH-UHFFFAOYSA-N
rxn:4:183272:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,DMCVXPZSIAPGBB-UHFFFAOYSA-N
rxn:4:183272:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,ACMVZXOXDVWPOB-UHFFFAOYSA-N
rxn:4:183272:226125,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc(C2CC2)c1,GAORJUVEUDQKJV-UHFFFAOYSA-N
rxn:4:183272:226526,COC(=O)c1ccc(OC)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,DWOKNCFEUVMPNY-UHFFFAOYSA-N
rxn:4:183272:227478,COC(OC)c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,KXJOAMQCBGWPLC-UHFFFAOYSA-N
rxn:4:183272:227480,CCCOc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1Cl,KSACFWXUZDSFQF-UHFFFAOYSA-N
rxn:4:183273:224456,COCc1cccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c2)c1,IYHPFWIJMCBUEF-UHFFFAOYSA-N
rxn:4:183273:225003,COc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WFYHOAVREDEZRZ-UHFFFAOYSA-N
rxn:4:183273:225611,COc1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,LWZNAMPJNNBLMZ-UHFFFAOYSA-N
rxn:4:183273:226125,COCc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)c1,LDZOTJRBLMAKGP-UHFFFAOYSA-N
rxn:4:183273:228905,COc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc1Cl,OBLCJYFCUHJJIB-UHFFFAOYSA-N
rxn:4:183274:224456,COCc1cccc(-c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2)c1,ZCPUOBARWKCRIW-UHFFFAOYSA-N
rxn:4:183274:224470,COCCOc1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)ccc2c1,SNPSMAHRMSNGCY-UHFFFAOYSA-N
rxn:4:183274:226124,COCc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,LVJWABVKHHEPGO-UHFFFAOYSA-N
rxn:4:183274:226226,COCCOCc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,XWKSLKQLJDZIFA-UHFFFAOYSA-N
rxn:4:183274:227481,COC(OC)c1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OOIAEJOXGOUTEP-UHFFFAOYSA-N
rxn:4:183281:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C3CCC4O3)cc2)CC1,UJCJYIGHPRGRPO-UHFFFAOYSA-N
rxn:4:183487:223480,CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,OEZUHIBWNPZBQA-UHFFFAOYSA-N
rxn:4:183669:225163,COC(=O)CSC1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCOCC3)o2)C1,GQHCFJMBMIRGGF-UHFFFAOYSA-N
rxn:4:183688:222631,COCCOc1cc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)ccc1C(=O)N1CCC1,MESMPHSLDDJGOS-UHFFFAOYSA-N
rxn:4:183688:222741,COCCOc1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc1C(=O)N1CCC1,WHYYCIPABWANIZ-UHFFFAOYSA-N
rxn:4:183688:223835,COCCOc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)ccc1C(=O)N1CCC1,IFMCHRGFBFXOJO-UHFFFAOYSA-N
rxn:4:183717:222720,CCCCOC(=O)c1ccc(N(C)C)c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)c1,NNWSFKYIHUYMKW-UHFFFAOYSA-N
rxn:4:183765:223831,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)C1,ZPWOBXXTKIJCTD-UHFFFAOYSA-N
rxn:4:183860:222645,COC(=O)CN1CCC(COc2ccccc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,ACMKRPJTYODGAH-UHFFFAOYSA-N
rxn:4:183878:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)CC1,XJNHHXZTWYAYAG-UHFFFAOYSA-N
rxn:4:183878:225711,COC(COc1ccc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)cc1)OC,AXWLGKDZZOOTAJ-UHFFFAOYSA-N
rxn:4:183879:225092,CCCCOc1cc(-c2ccc(Cl)c(OCC3CN(C(=O)OC(C)(C)C)C3)c2)cc(Cl)c1OC,ZRTYDZQXVLRLMZ-UHFFFAOYSA-N
rxn:4:183880:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,KTXNEIWBNBVLEE-UHFFFAOYSA-N
rxn:4:183880:225294,CCN1CCN(c2ncc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,LSYLYQJWTZAUAG-UHFFFAOYSA-N
rxn:4:183881:222929,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c(F)c2)C1,ZLYTYZWGMWHLOA-UHFFFAOYSA-N
rxn:4:183882:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)cnc1Cl,JBJSVZKTGOKQGP-UHFFFAOYSA-N
rxn:4:183882:224162,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c2)C1,ZHEGTYCFNNEKQU-UHFFFAOYSA-N
rxn:4:183888:223542,CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1OC,KYFIRIRKCXDIGI-UHFFFAOYSA-N
rxn:4:183890:225741,CCCCOc1c(F)cc(-c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1Cl,VHJVRKMBUSLGQC-UHFFFAOYSA-N
rxn:4:183902:224248,COC1CCN(CCCOc2c(F)cccc2-c2ccc(C(=O)N3CCC(C)CC3)c(Cl)c2)CC1,AMOFRMXTZGJRAD-UHFFFAOYSA-N
rxn:4:183944:223939,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C1,RBFMYLWJLNDEFM-UHFFFAOYSA-N
rxn:4:183959:225343,Cc1cc(-c2cc(C(F)(F)F)cnc2SC(C)C)ccc1OCC1CN(C(=O)OC(C)(C)C)C1,BBHOSUIPVLHXHN-UHFFFAOYSA-N
rxn:4:183969:222950,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(S(=O)(=O)NOC)c3)c(OC)c2)CC1,XPKCXADYRGMWRZ-UHFFFAOYSA-N
rxn:4:184013:224276,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cc2)CC1,NLQUTLKMHARJDR-UHFFFAOYSA-N
rxn:4:184014:223581,COC(=O)c1cccc2cc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,SXZKBWQFRDNDTR-UHFFFAOYSA-N
rxn:4:184014:226047,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(OC(F)(F)F)c(F)c3F)c2)CC1,KYEWLUVODWOEFW-UHFFFAOYSA-N
rxn:4:184020:223788,Cc1cc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,DZPMEKNLBIAZBU-DEOSSOPVSA-N
rxn:4:184022:223492,Cc1cc(-c2ccc(Cl)cc2OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XIIXHUYVFWHIKC-UHFFFAOYSA-N
rxn:4:184024:225810,COc1ccc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c(C2OCCO2)c1,ZKRQZGSIHUDSGE-UHFFFAOYSA-N
rxn:4:184026:225829,CC1CCN(c2ncc(-c3ccc(Cl)c(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,CIRGZABNMQKNIJ-UHFFFAOYSA-N
rxn:4:184056:223588,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,ZYGXTHGQPNGDJR-UHFFFAOYSA-N
rxn:4:184092:226715,CC(C)(C)OC(=O)n1cc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)cn1,IHKUEIOSSJRAKR-UHFFFAOYSA-N
rxn:4:184195:223687,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,FOIAXZLQWSEZJX-UHFFFAOYSA-N
rxn:4:184245:223818,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2c(F)cc(F)c4c2ccn4C(=O)OC(C)(C)C)cc1)N(CCCOC(C)C)C3=O,QRSJHFUGFIMINO-UHFFFAOYSA-N
rxn:4:184245:223933,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc4cc(F)ccc4n2C(=O)OC(C)(C)C)cc1)N(CCCOC(C)C)C3=O,FQGYGKPNBIKASZ-UHFFFAOYSA-N
rxn:4:184284:223695,CCOC(=O)COc1cccnc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,HFDMQYAEQSGNKY-UHFFFAOYSA-N
rxn:4:184607:222639,COc1cc(C(=O)C[N+](=O)[O-])cc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1OC,POYXIJIPNQRFNA-AWEZNQCLSA-N
rxn:4:184690:223696,O=C(OCc1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)ON1C(=O)CCC1=O,PKTTUDZOTSYTLW-UHFFFAOYSA-N
rxn:4:184967:224077,CC(C)(C)[Si](C)(C)n1cc(-c2cccc(CN3CCOCC3)c2OCC(F)(F)F)c2ccccc21,IRCDDZHMTKYHGA-UHFFFAOYSA-N
rxn:4:185025:223818,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc2)C1,HNXXAHHKGSFDFQ-UHFFFAOYSA-N
rxn:4:185025:223934,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cc2)C1,ZKGUQSLXOITGPD-UHFFFAOYSA-N
rxn:4:185081:224022,Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1CN(C)C(=O)OC(C)(C)C,LFXCZUAHISWGTD-UHFFFAOYSA-N
rxn:4:185093:222818,COC(=O)c1cc(-c2ccccc2OCCCN2CCOC(C)C2)c(F)cc1NC(C)=O,BFOIBYMORKIBSH-UHFFFAOYSA-N
rxn:4:185108:223057,O=S(=O)(c1ccc(OCC2CC2)c(-c2cc(Cl)nc(C3CCCNC3)c2)c1)N1CCCC1,FBNQKGYJQXWNNG-UHFFFAOYSA-N
rxn:4:185108:225879,O=S(=O)(c1ccc(OCC2CC2)c(-c2ccc(N3CCOCC3)cc2F)c1)N1CCCC1,ZABQNKFXMPTUNP-UHFFFAOYSA-N
rxn:4:185138:224886,COC(=O)C1CCN(CCc2cc(-c3ccc(CN4CCC(C)CC4)cc3)ccc2F)CC1,CHKRISJVUOKSOF-UHFFFAOYSA-N
rxn:4:185158:227576,CCOc1c(Cl)cc(F)cc1-c1cc(CN2CCC(C(F)(F)F)CC2)cc(C(=O)OC)c1,YBINZOQCNOXRDS-UHFFFAOYSA-N
rxn:4:185175:224406,O=C(Cc1cccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)N1C(=O)OC[C@@H]1Cc1ccccc1,MTWSVLQWZQIUOM-DEOSSOPVSA-N
rxn:4:185184:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2OCCCN2CCCCC2C)CC1,OQLQZGMNYMNMIH-UHFFFAOYSA-N
rxn:4:185197:223562,Cc1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,JHXLITZUMPPSGK-UHFFFAOYSA-N
rxn:4:185198:225000,COC(=O)c1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1CN1CCC(OC)CC1,OUEZGHULMAMDDX-UHFFFAOYSA-N
rxn:4:185202:222799,COc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,ROLLVAKKKKTHLU-UHFFFAOYSA-N
rxn:4:185204:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1C1CN(C(=O)OC(C)(C)C)C1,PLOOZRIQHBEQGM-UHFFFAOYSA-N
rxn:4:185205:224076,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c1,WYIFMZQLMUYMDD-UHFFFAOYSA-N
rxn:4:185208:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)ccc2F)CC1,GHJMVTDVYIINCN-UHFFFAOYSA-N
rxn:4:185241:222615,CC(C)Cc1cc(-c2cccc(CN3CCCCC3)c2OCC2CC2)cc(C2CCNCC2)c1,XISQOPDBCRJUDX-UHFFFAOYSA-N
rxn:4:185260:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,WTCYDILGLQPWAX-UHFFFAOYSA-N
rxn:4:185260:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)C4)cc3)c2)CC1,AQJCAUCBOYHGIP-UHFFFAOYSA-N
rxn:4:185267:222612,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)c2)CC1,BTIWSGAOHZJOFZ-UHFFFAOYSA-N
rxn:4:185309:224486,CC(C)N(C(=O)c1cccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C(C)C,DFPPQAMRMYNBBC-UHFFFAOYSA-N
rxn:4:185309:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,RAMUBMIIZGWTKE-UHFFFAOYSA-N
rxn:4:185313:224290,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,QWBSEAPRFPKQLA-UHFFFAOYSA-N
rxn:4:185318:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,PVLLMQSNZWTNST-UHFFFAOYSA-N
rxn:4:185318:224279,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,VOOVVJFECOHDQE-UHFFFAOYSA-N
rxn:4:185318:225876,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc(Cl)ccc3N3CCOCC3)cc(C3CC3)c2)C1,PWLJXDNIQSPBEO-UHFFFAOYSA-N
rxn:4:185323:226896,COCn1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(C(F)(F)F)n1,FFFZENFLXFGROG-UHFFFAOYSA-N
rxn:4:185352:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,BMXGKNZUXHJVHH-UHFFFAOYSA-N
rxn:4:185352:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,OTLVAUDSILKVPM-UHFFFAOYSA-N
rxn:4:185352:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,AEROGNFPHYMKGT-UHFFFAOYSA-N
rxn:4:185354:225876,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc(Cl)ccc2N2CCOCC2)CC1,OLSMWWZHFYAFKH-UHFFFAOYSA-N
rxn:4:185354:227549,COC(=O)c1cc(Cl)ccc1-c1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,KLMDFTFMKOQNQO-UHFFFAOYSA-N
rxn:4:185371:224269,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2)CC1,LYUBOBCJLRFMLG-UHFFFAOYSA-N
rxn:4:185381:224874,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cccc(COC4CCCCC4)c3)cc(C(F)(F)F)c2)C1,YJWFHVUANRTWER-UHFFFAOYSA-N
rxn:4:185384:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,RLONPDBYSRTIKL-UHFFFAOYSA-N
rxn:4:185386:225810,COc1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)c(C2OCCO2)c1,GWEGUNJYBKWOQS-UHFFFAOYSA-N
rxn:4:185388:224273,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc2C(F)(F)F)C1,DDLRREBRYVPXFM-UHFFFAOYSA-N
rxn:4:185388:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c1,ITSGSVHXTYFEQK-UHFFFAOYSA-N
rxn:4:185407:222684,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,BPTPFYLFIOCQPX-UHFFFAOYSA-N
rxn:4:185409:222947,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc(C3CC3)c2)C1,PGKRHHPCKFTQFV-UHFFFAOYSA-N
rxn:4:185411:224279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc2C2CC2)C1,MGFGQSIYAAUGDU-UHFFFAOYSA-N
rxn:4:185423:225232,CC1CCN(c2cc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cnc2Cl)CC1,CRZLUYWLBOHZDA-UHFFFAOYSA-N
rxn:4:185423:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,DVGLXOCNJOHXBQ-UHFFFAOYSA-N
rxn:4:185439:226463,CC(=O)n1ncc2c(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cccc21,VWWNXJYOZQKBOW-UHFFFAOYSA-N
rxn:4:185441:223636,CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,QNDWDECLOLTLSR-UHFFFAOYSA-N
rxn:4:185441:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(C2(c3ccc(Cl)cc3)CCN(C(=O)OC(C)(C)C)CC2)cc1,YUHJKZRJLOCASA-UHFFFAOYSA-N
rxn:4:185545:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4cc(OC5CN(C(=O)OC(C)(C)C)C5)ccc4c3)c(F)c2)CC1,QARKSYYNJGKIOG-UHFFFAOYSA-N
rxn:4:185547:225987,CCOC(=O)C1CCN(C(=O)c2cc3cc(-c4ccc(N5CCCS5(=O)=O)cc4)ccc3oc2=O)CC1,HULDQIDJXRZNRL-UHFFFAOYSA-N
rxn:4:185609:225193,COc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(C5COCCO5)c(C#N)c4)c3)c3ccccc3S2(=O)=O)cc1OC,RDPAVHFJBVJZJM-UHFFFAOYSA-N
rxn:4:185625:224591,CC1CCN(Cc2cc(-c3ccc(-c4coc5cc(OCCN6CC(C)OC(C)C6)ccc5c4=O)cc3)ccc2Cl)CC1,QWFSBOUKEBPGKU-UHFFFAOYSA-N
rxn:4:185725:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(OCC(F)F)cc3[N+](=O)[O-])cc21,BWYRIJGMBIRRSU-UHFFFAOYSA-N
rxn:4:185913:224080,COC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(C(F)(F)F)c1C#N,BGNFXRPEDQPLOK-UHFFFAOYSA-N
rxn:4:185972:223696,CC(=O)OCc1cccc([N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,ZPYIRSBRUCEQKG-UHFFFAOYSA-N
rxn:4:185988:223813,COC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(C(=O)OC)n1,CLGAGRKEHVGJNC-UHFFFAOYSA-N
rxn:4:186547:223579,CCN(CC)Cc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1,VOEMBPGVYIHNEB-UHFFFAOYSA-N
rxn:4:186685:223976,CCOc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(OC2CCCC2)cc(OC(F)(F)F)c1,DTUWIQGUCMZRFM-UHFFFAOYSA-N
rxn:4:186749:224375,COC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c2)SC1=S,LIMSAWGOGIVFGV-UHFFFAOYSA-N
rxn:4:186749:225871,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2)SC1=S,PHTXMIGJBDKYHS-UHFFFAOYSA-N
rxn:4:186922:223970,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc1S(=O)(=O)N1CCC(C)CC1,BVQGFOUANUBQJY-UHFFFAOYSA-N
rxn:4:187032:223970,Cc1ccc(-c2ccc(OCCN3CCC(C)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,IRQWXKOMBHRBAV-UHFFFAOYSA-N
rxn:4:187062:224397,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)N1CCCC1,UGDCXMAANSPLRA-UHFFFAOYSA-N
rxn:4:187183:222817,COC(=O)C1CCN(Cc2ccccc2-c2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1,ZFGNDRUYAXFJTO-UHFFFAOYSA-N
rxn:4:187200:222524,COC(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c(CN2CCCCC2)c1,OPKZIAQFNYSMBZ-UHFFFAOYSA-N
rxn:4:187204:225144,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2Cl)C1,HXTWBBYIZDXGFA-UHFFFAOYSA-N
rxn:4:187206:225899,Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2Cl)n(C(=O)OC(C)(C)C)n1,DXZXGSFOTSUDBF-UHFFFAOYSA-N
rxn:4:187214:225992,CC(C)Cn1cc(-c2cc(F)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)n1,LIIOCPUVAUYTSS-UHFFFAOYSA-N
rxn:4:187267:225898,COc1c(Cl)cc(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1cnn(CCN2CCOCC2)c1,VBKZDNJIKWYQQQ-UHFFFAOYSA-N
rxn:4:187304:223892,COC1CCN(CCc2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)ccc2F)CC1,KDQNIQBVMFGONO-UHFFFAOYSA-N
rxn:4:187305:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(CCN2CCC(OC)CC2)ccc1F,GGFGQPIJFFDXKT-UHFFFAOYSA-N
rxn:4:187327:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc([C@H]4COS(=O)(=O)N4C(=O)OC(C)(C)C)c3)cc2)CC1,JQJLGAZYLVPWGM-UMEGOILYSA-N
rxn:4:187413:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)CC1,UEUSNBOALMSIOF-UHFFFAOYSA-N
rxn:4:187437:223528,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QMZPVOYIDOMYKB-UHFFFAOYSA-N
rxn:4:187439:225394,CC(C)(C)OC(=O)N1CCCC(c2coc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)C1,NKZAXKOYPKIGKG-UHFFFAOYSA-N
rxn:4:187444:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)c(F)c3)cc2)CC1,BYOAYTFWCRZBAJ-UHFFFAOYSA-N
rxn:4:187444:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)c(F)c3)cn2)CC1,GBYCWUQTFJEABJ-UHFFFAOYSA-N
rxn:4:187484:225128,CCOc1ccc(-c2cc(C3(C(=O)OC)CC3)ccc2F)cc1S(=O)(=O)N1CCCCC1C,GPONHKPOMRAAKZ-UHFFFAOYSA-N
rxn:4:187488:222817,CCOc1ccc(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1S(=O)(=O)N1CCC(C)CC1,MYBRXHVRRIQPSV-UHFFFAOYSA-N
rxn:4:187488:225763,CCOc1ccc(-c2cc(C(=O)OC)c(OC)cc2C)cc1S(=O)(=O)N1CCC(C)CC1,OLUVFKXPKPLGAD-UHFFFAOYSA-N
rxn:4:187488:225978,CCOc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1S(=O)(=O)N1CCC(C)CC1,QNALUGHEFFATBD-UHFFFAOYSA-N
rxn:4:187493:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1,ILOOYULDUBMKMU-UHFFFAOYSA-N
rxn:4:187493:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccccc2C2CN(C(=O)OC(C)(C)C)CCO2)CC1,IKRODYAYASOYGH-UHFFFAOYSA-N
rxn:4:187541:225183,CC(C)Oc1cc(OC2CCN(C)CC2)ccc1-c1ccc(OC2CCCCC2)nc1F,VYPDAFPYXWZKRF-UHFFFAOYSA-N
rxn:4:187558:226511,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2)C(=O)C1,CAVVQGLVWJHOME-UHFFFAOYSA-N
rxn:4:187570:224170,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1ccc(OCCCN2CCCC2)c(Cl)c1,QFHBKAFLRPIVSH-UHFFFAOYSA-N
rxn:4:187573:224278,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,AYTRZLFADRCUHY-UHFFFAOYSA-N
rxn:4:187575:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1Cl,UHOUIGMSJSIBRR-UHFFFAOYSA-N
rxn:4:187576:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,HSMVTCMBSPNOPQ-UHFFFAOYSA-N
rxn:4:187578:225218,Cc1cc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,FIAKEXFLTIDQKP-UHFFFAOYSA-N
rxn:4:187579:224273,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)c1,XNWBLBMGWOKZMO-UHFFFAOYSA-N
rxn:4:187584:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(Cl)cc1C1CCCN(C(=O)OC(C)(C)C)C1,BEOHPFJYIVPFOY-UHFFFAOYSA-N
rxn:4:187593:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,GNBGYLNEZIJZQX-UHFFFAOYSA-N
rxn:4:187593:225312,CN1CCCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,MWKVWPVMPWSCCR-UHFFFAOYSA-N
rxn:4:187595:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,ROISNJMXIQIXSH-UHFFFAOYSA-N
rxn:4:187595:223531,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,BRDCXZULVIBJCO-UHFFFAOYSA-N
rxn:4:187595:223660,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,SAGKPZYBNRPRCM-UHFFFAOYSA-N
rxn:4:187595:223741,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cc(CN4CCCc5ccccc54)ccc3F)c2)CC1,XCQVWFGPMGXURE-UHFFFAOYSA-N
rxn:4:187595:225144,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(N4CCOCC4)cc3C#N)c2)CC1,RRNUVXHMDDRDCQ-UHFFFAOYSA-N
rxn:4:187595:225218,CC1CCCN(c2ncc(-c3cc(F)cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,FASYSTOCKRXUFW-UHFFFAOYSA-N
rxn:4:187596:223574,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,VFQLYKZPGANWNV-UHFFFAOYSA-N
rxn:4:187621:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(C2(N(C)CC3CCCCC3)CC2)cc1,YIJVFNQRTQZQGE-UHFFFAOYSA-N
rxn:4:187625:223954,CC1CCN(Cc2c(OC(C)C)cccc2-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)CC1,RXUGQIOUUMONPC-UHFFFAOYSA-N
rxn:4:187626:226782,CCOc1ccc(-c2cc(F)c(C(=O)OC)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,SMTVSYGRZCBLHL-UHFFFAOYSA-N
rxn:4:187639:223501,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)C2C=CS(=O)(=O)C2)cc1C,ZNAJPKUAPXFCQU-UHFFFAOYSA-N
rxn:4:187639:223529,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C2C=CS(=O)(=O)C2)cc1C,DBWTYYLGYUOZBK-UHFFFAOYSA-N
rxn:4:187659:223578,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2)CC1,JMXGVAMCWRFINI-UHFFFAOYSA-N
rxn:4:187662:223531,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,BRAJEVIDVDNFEW-UHFFFAOYSA-N
rxn:4:187668:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1C,XGBWOXYUEAOWPI-UHFFFAOYSA-N
rxn:4:187668:226716,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)cc1,RROUULVHRUEGOX-UHFFFAOYSA-N
rxn:4:187670:224081,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)c1,RHLMTEFYLAAZBX-UHFFFAOYSA-N
rxn:4:187681:222792,Cc1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,ANXVRLRKRMCNNZ-UHFFFAOYSA-N
rxn:4:187695:226123,COCc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1C1CC1,QMYRQKQXRSGHJS-UHFFFAOYSA-N
rxn:4:187696:224868,Cc1cc(-c2cccc(OCC3CCCCC3)c2)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C,CLBBIOMRRWKPQM-UHFFFAOYSA-N
rxn:4:187826:223842,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc2c1ccn2CC1CCC1,DPXKQZBBGGMMRA-UHFFFAOYSA-N
rxn:4:187944:224587,CC1CCN(Cc2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2F)CC1,LPZFDFWDZSOHBB-UHFFFAOYSA-N
rxn:4:187944:225035,Fc1ccc(OC2CCCCC2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,KVVALILORUPJOS-UHFFFAOYSA-N
rxn:4:187944:226226,COCCOCc1ccccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,ZNOQPJOTAUOZAK-UHFFFAOYSA-N
rxn:4:187995:223579,CCc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ARYBEHVGUZIARJ-UHFFFAOYSA-N
rxn:4:187999:228218,COc1cc(-c2cc(C3CC3)ncc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,HSPXBKKSVKNRKF-UHFFFAOYSA-N
rxn:4:188271:223501,COC(=O)c1cc(C#N)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1F,ZOGCRZAQCXNHEV-UHFFFAOYSA-N
rxn:4:188756:223525,COC(=O)c1cc(C)cc(C#N)c1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SJSGCEQGIGVGAG-UHFFFAOYSA-N
rxn:4:188765:223504,COC(=O)c1ccc(C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1C#N,DPTZZRWXHSRTHU-UHFFFAOYSA-N
rxn:4:189207:224008,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)ccc1Cl,BAPJDZMLOBHSQO-UHFFFAOYSA-N
rxn:4:189209:224008,O=C(ON1C(=O)CCC1=O)c1cc(Cl)cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,QNOKDFNNWWBMLR-UHFFFAOYSA-N
rxn:4:189215:224008,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c1,FTGYHWGKTHIZFW-UHFFFAOYSA-N
rxn:4:189778:223480,Cc1cc(-c2ccc(Cl)c(CCN3CCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YDIDQWUXXIAZAR-UHFFFAOYSA-N
rxn:4:190016:224129,COc1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1,ABIIQQLSKOXIHM-UHFFFAOYSA-N
rxn:4:190016:224319,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1S(=O)(=O)N1CCOCC1,WJJBGCJCXNOTAT-UHFFFAOYSA-N
rxn:4:190042:223576,Cc1cccc(N(C)C(=O)c2cc(Cl)cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1,ODZCBRDOGKVFJM-UHFFFAOYSA-N
rxn:4:190121:224391,Cc1cc(CC(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C,GEBZXTCRVWRHLA-UHFFFAOYSA-N
rxn:4:190171:225296,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)O1,OGLJDRFILLFKBQ-UHFFFAOYSA-N
rxn:4:190216:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,MELUDKPYFZKTCW-UHFFFAOYSA-N
rxn:4:190221:223648,COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1CN1CCC(F)(F)CC1,QXTDXZJEHFKOPY-UHFFFAOYSA-N
rxn:4:190224:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(CN2CCOCC2)c(S(C)(=O)=O)c1,AQKNDILQAKUIPZ-UHFFFAOYSA-N
rxn:4:190227:224666,CN1CCN(Cc2cc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)ccc2F)CC1,MBTWMWDJCSCMFI-UHFFFAOYSA-N
rxn:4:190227:224667,CN1CCN(Cc2cc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)ccc2Cl)CC1,RQCDFSOIWMBEJT-UHFFFAOYSA-N
rxn:4:190237:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(-c4ccc(C(=S)N5CCOCC5)o4)cc3)cc2F)CC1,BPIODTWUUYSYBY-UHFFFAOYSA-N
rxn:4:190249:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)c(Cl)c1,JUUQRXOEVPEPNZ-UHFFFAOYSA-N
rxn:4:190264:224619,CC1CCN(C(=O)Cc2ccc(Cl)c(-c3ccc(OCCN4CCCC4)c(F)c3)c2)CC1,WQKSEGFUPUVPSU-UHFFFAOYSA-N
rxn:4:190377:224252,COc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,JPYPBTXSJZYKLN-UHFFFAOYSA-N
rxn:4:190381:222742,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)C1,HGJAUXYQZJMLKH-UHFFFAOYSA-N
rxn:4:190393:224830,CC(C)C(=O)C1CCCN(c2ccc(F)cc2-c2cc(C(F)(F)F)nn2C2CCCCO2)C1=O,FNPFAAMJDJAIPQ-UHFFFAOYSA-N
rxn:4:190397:224685,O=C1CCN(C(=O)c2cccc(-c3ccc(C(=O)CN4C(=O)CC5(CCCC5)C4=O)cc3)c2)CC1,YVCIBEBXGLFJNB-UHFFFAOYSA-N
rxn:4:190423:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCC4)cc(C(C)(C)C)c3)c(F)c2)CC1,BSSODCKDDMDZDV-HCGLCNNCSA-N
rxn:4:190435:224819,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)N1CCC(c2ccccc2)S(=O)(=O)CC1,IIEPKJWXBYRXJZ-UHFFFAOYSA-N
rxn:4:190470:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(C(C)(C)C)c3)c(F)c2)CC1,QHNCJJBMQXRULX-ALOJWSFFSA-N
rxn:4:190477:224665,COc1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,LVKPPVPYWZUKBE-UHFFFAOYSA-N
rxn:4:190496:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCC(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,YMHNIKOCTWRGTG-YOCNBXQISA-N
rxn:4:190599:223606,COC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc21,KNHVSDTWQCRUTB-UHFFFAOYSA-N
rxn:4:190827:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)C3=O)c(Cl)c1,HULJJFBHSLHHOS-UHFFFAOYSA-N
rxn:4:190833:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)CC1,MDNJLGFOLWCSRB-UHFFFAOYSA-N
rxn:4:190923:222542,COc1ccc2c(c1OC)C(=O)N(c1ccccc1-c1ccc(C)c(OCCCN3CCNCC3)c1)C2=O,XWUGNVQIDRQRLV-UHFFFAOYSA-N
rxn:4:190926:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)CC1,NBVXMMOGZRRGCO-UHFFFAOYSA-N
rxn:4:190931:223492,Cc1cc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WXCOJUPJKPZBJG-UHFFFAOYSA-N
rxn:4:190948:223562,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2S1(=O)=O,GIYBVPKJQGALRJ-UHFFFAOYSA-N
rxn:4:190991:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)SCCN(C(=O)OC(C)(C)C)C2,HLURBLVQAQOGDX-UHFFFAOYSA-N
rxn:4:191042:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)C(=O)C1(C2)CN(C(=O)OC(C)(C)C)C1,KYFZIOWDLQCZLN-UHFFFAOYSA-N
rxn:4:191043:223944,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4c(C)c(Cl)cc5c4cnn5C4CCCCO4)ccc3C2=O)CC1,XLLREKQXWYLDOB-KQAFIPIZSA-N
rxn:4:191063:222944,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4F)cc3O2)C1,CCUSZCKGRTXSGM-UHFFFAOYSA-N
rxn:4:191063:225233,CC1CCCN(c2cc(-c3ccc4c(c3)OC3(CC4=O)CN(C(=O)OC(C)(C)C)C3)cnc2Cl)C1,QILKEPXTGFXELE-UHFFFAOYSA-N
rxn:4:191103:225165,COc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CCOCC1,AYNAPYVWXPWUJR-UHFFFAOYSA-N
rxn:4:191103:225977,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc32)CC1,YAKIHVHHWSQKJQ-UHFFFAOYSA-N
rxn:4:191104:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CO2,YKBLZYWTVGUZPS-UHFFFAOYSA-N
rxn:4:191121:224269,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)c(F)c1C2=O,NLPVWZRXOUUTEQ-UHFFFAOYSA-N
rxn:4:191121:226655,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc(Cl)cnc3N3CCCC3)c(F)c1C2=O,NAWVWJJBMDQTNN-UHFFFAOYSA-N
rxn:4:191123:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)CC1,AKOMSRFIJXIZJN-UHFFFAOYSA-N
rxn:4:191127:223520,CC(c1ccc(-c2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RMZDBOKGJOACEA-UHFFFAOYSA-N
rxn:4:191127:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc2F)CC1,FEMOUYPTPJGRBK-UHFFFAOYSA-N
rxn:4:191127:226982,CCCCOc1ccccc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,LASMMKJBWRKALN-UHFFFAOYSA-N
rxn:4:191763:222426,COc1cnc(C(F)F)c(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c1,WPUVXXXVZNQZQL-UHFFFAOYSA-N
rxn:4:192029:223520,CC(c1ccc(-c2cncc(OC3COC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,GJEIQBMNUPEAGP-UHFFFAOYSA-N
rxn:4:192125:223712,COc1ccc(-c2cc(C(F)(F)F)cc(S(N)(=O)=O)c2)cc1C12CC3CC(CC(C3)C1)C2,AVEKKGXNPYZXMO-UHFFFAOYSA-N
rxn:4:192200:223526,CC(=Cc1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)[N+](=O)[O-],ATKKNGUCHUKVCA-UHFFFAOYSA-N
rxn:4:192773:223939,CSC1=NC(=Cc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C(=O)S1,DUBGIBXJEYZUOZ-UHFFFAOYSA-N
rxn:4:193131:222735,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cccc(C(=O)NC4CCCCC4)c3)cc2)C=C1,MYFCXBGNPQPCSX-UHFFFAOYSA-N
rxn:4:193247:224009,COc1ccc(-c2cccc(N3CCCC3)c2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,STLYJSHOEPTSRT-UHFFFAOYSA-N
rxn:4:193383:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3F)cc2)CC1,LQIBXGFNEXPKES-UHFFFAOYSA-N
rxn:4:193385:224120,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)ccc1CO[Si](C)(C)C(C)(C)C,ITNSVGDSFUELDQ-UHFFFAOYSA-N
rxn:4:193391:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,CXEZPISFKIQYPW-UHFFFAOYSA-N
rxn:4:193500:223872,CCN(C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)c1)C1CCCCC1,VJPZYNRYSMQTKK-UHFFFAOYSA-N
rxn:4:193500:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)CC1,WDPKSTKNEFOYIV-UHFFFAOYSA-N
rxn:4:193562:223835,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,NMSAEEBQUBBTSI-UHFFFAOYSA-N
rxn:4:193627:222698,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl)N1CCC(O)CC1,BGJFWWNXNPOKFX-UHFFFAOYSA-N
rxn:4:193627:224128,CN(C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc1)C1CCCCC1,VBNQAYIBSRAMQM-UHFFFAOYSA-N
rxn:4:193684:223670,Cc1cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(CN2CCOCC2)c1F,WRWVATMPKSGWMY-UHFFFAOYSA-N
rxn:4:193839:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)cc2)CC1,AJGTZCJICOEUCW-UHFFFAOYSA-N
rxn:4:193845:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,NMBBCOKOYUNVTK-UHFFFAOYSA-N
rxn:4:193870:224760,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,PZTMOEGOKHGWAH-UHFFFAOYSA-N
rxn:4:193959:223480,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,LAZQGSSZAITUJM-UHFFFAOYSA-N
rxn:4:193974:222537,O=S(=O)(c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OCCO2,TYXBTOPCIAVIKK-UHFFFAOYSA-N
rxn:4:193997:223844,Cc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F,UQIHGOUFAFDLDU-UHFFFAOYSA-N
rxn:4:193999:223835,Cc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c(S(=O)(=O)N2CCC(C)CC2)cc1C,XRWQIJGHVYOMLD-UHFFFAOYSA-N
rxn:4:193999:224770,Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCC(C)CC2)cc(S(=O)(=O)N2CCCC2)c1,JPWJRNKQOKOORR-UHFFFAOYSA-N
rxn:4:194709:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(CC2CCCCC2)C(=O)CO3)cc1,MGJBMNGKLAMLHE-IBGZPJMESA-N
rxn:4:194712:225992,CC(C)Cn1cc(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)c(C(F)(F)F)n1,OUXFXQWMZDEDBY-UHFFFAOYSA-N
rxn:4:194730:222604,COc1ccc(-c2ccc3c(c2)CCC3N2CCC(OC)CC2)cc1S(=O)(=O)NC1CCCC1,UGBWJWQNDFYOEJ-UHFFFAOYSA-N
rxn:4:194731:223814,COC1CCN(C2CCc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc32)CC1,ZHBVFVIZLPBWRQ-UHFFFAOYSA-N
rxn:4:194737:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCCCCC3)cc2c1,MULQIPYUWXWRGZ-UHFFFAOYSA-N
rxn:4:194748:225231,CC1CCCCN1c1cc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)cnc1Cl,TWXFPCOIMORNNX-ODBRLQTDSA-N
rxn:4:194749:223840,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1,RIJHCUOMMVHXSB-UHFFFAOYSA-N
rxn:4:194805:223696,CC(=O)ON1C(=O)c2cccc3c(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)ccc(c23)C1=O,RUFQJVUOOLUQGE-UHFFFAOYSA-N
rxn:4:196644:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)ccn3)cc2)CC1,PVVHMJBTMPHNDZ-UHFFFAOYSA-N
rxn:4:197969:224193,CCN1CCN(Cc2cc(-c3ccc4c(c3)C(N3CCCC(C)C3)CC4)ccc2F)CC1,JFJXQFCWQYAIBK-UHFFFAOYSA-N
rxn:4:197972:224193,CCN1CCN(Cc2cc(-c3cccc4c3CCC4N3CCCC(C)C3)ccc2F)CC1,RZPAWOCGWRZKNY-UHFFFAOYSA-N
rxn:4:197987:224656,COc1ccc(-c2cccc3c2CCCC3N2CCCC(C)C2)c(F)c1OC1CCCC1,NXQGACOOXUPEAJ-UHFFFAOYSA-N
rxn:4:199496:222946,C[Si](C)(C)CCOCn1cnc(C(F)(F)F)c1-c1cnc(N2CCCCC2O)nc1Cl,ADEDQEDWDGIPMJ-UHFFFAOYSA-N
rxn:4:199577:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCN(C)CC1,FJNOBCVAVBOWDQ-UHFFFAOYSA-N
rxn:4:199584:223493,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)c3)co2)n1,PFFTYYUQHXAXMI-UHFFFAOYSA-N
rxn:4:199650:222929,Cc1cc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,RLJDEYCVMJRMOQ-UHFFFAOYSA-N
rxn:4:199692:225947,CN1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cn2)CC1,FWKVCQPXXPCGQR-UHFFFAOYSA-N
rxn:4:199693:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(C#N)ccc3OC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,OYSHNLFARNQKTC-UHFFFAOYSA-N
rxn:4:199705:224827,CCN1CCN(CCCOc2cc(-c3cc(OC(F)(F)F)ccc3C(=O)OC)ccc2C)CC1,XYAIZVHCHATQDA-UHFFFAOYSA-N
rxn:4:199707:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(SCC4CCCN(C(=O)OC(C)(C)C)C4)n3)cc(C(F)(F)F)c2)CC1,GGPYFUPOXUZJMP-UHFFFAOYSA-N
rxn:4:199709:224162,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)CC1,MRBYBVNVWDKOQA-UHFFFAOYSA-N
rxn:4:199709:225233,CC1CCCN(c2cc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)n3)cnc2Cl)C1,WKZABVMMWRPIFC-UHFFFAOYSA-N
rxn:4:199709:225984,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,DUXCIYREVKYZJT-UHFFFAOYSA-N
rxn:4:199713:225295,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccccc1S(=O)(=O)N1CCCC1,MYFDCDXOCARVCI-UHFFFAOYSA-N
rxn:4:199719:223525,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,GFXXZDAPUYPDLG-UHFFFAOYSA-N
rxn:4:199737:225043,CCN1CCN(Cc2cccc(-c3ccc(OC4CCCCC4)c(F)c3)c2OCC2CC2)CC1,GNQBGHLWZOXGJZ-UHFFFAOYSA-N
rxn:4:199741:222769,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)c2)CC1,LDTWBYZBLMTGCC-UHFFFAOYSA-N
rxn:4:199760:223932,CC(C)(C)OC(=O)n1c(-c2ccccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)cc2c(Cl)cccc21,GKXRNCNDSDKEHE-UHFFFAOYSA-N
rxn:4:199763:227910,CCC(C)c1ccc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cn1,YFLQBNVKEBOADK-UHFFFAOYSA-N
rxn:4:199764:226715,COC(=O)c1cc(-c2cnn(C(=O)OC(C)(C)C)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,NRVHANPSESCEOF-UHFFFAOYSA-N
rxn:4:199766:223520,CC(c1ccc(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,QFLNQVVRPAERAD-UHFFFAOYSA-N
rxn:4:199769:223774,COc1cc(Cl)c(-c2cc3c(OC)cccc3n2C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FUCDQSIXTSZVBF-UHFFFAOYSA-N
rxn:4:199778:223761,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc(C(F)(F)F)c2)CC1,FUEUEYCCHWHGHE-UHFFFAOYSA-N
rxn:4:199778:224469,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc(-c4ccco4)cc(C(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,FQHJTINJSQYMDU-UHFFFAOYSA-N
rxn:4:199784:224160,COc1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,NLUKCABMSRAWLA-UHFFFAOYSA-N
rxn:4:199786:223507,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SDQWARLLMGORSB-UHFFFAOYSA-N
rxn:4:199789:224811,Cc1cc(OCC2CCN(C(=O)Cc3ccccc3-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)ccn1,PEIDHGFBBMIOOJ-UHFFFAOYSA-N
rxn:4:199790:223507,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RLVFZEQUDMGVMA-UHFFFAOYSA-N
rxn:4:199790:224320,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,JWIDXMYYFVLNAW-UHFFFAOYSA-N
rxn:4:199790:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,DNMGAAZMEMZJAI-UHFFFAOYSA-N
rxn:4:199790:228979,CCc1ccccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,IZZYBNQCIPXOHS-UHFFFAOYSA-N
rxn:4:199791:224270,COc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UFGOBZAUPKQOHA-UHFFFAOYSA-N
rxn:4:199813:222426,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,CKLGGVINOLVLQE-UHFFFAOYSA-N
rxn:4:199827:223660,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,PVADHZBOEQFPIA-UHFFFAOYSA-N
rxn:4:199827:227592,COc1cc(F)cc(-c2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c1OC,DVELWXUQSDRYEU-UHFFFAOYSA-N
rxn:4:199831:226504,CON(C)C(=O)c1ccc(-c2ccc(F)c(CCN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1,UWDFSLFCRAVBDU-LJQANCHMSA-N
rxn:4:199834:224482,CC1CN(CCc2ccc(F)c(-c3cccc(OCCCN4CCCC4)c3)c2)CCN1C(=O)OC(C)(C)C,KMZFMSBQNTZWLY-UHFFFAOYSA-N
rxn:4:199835:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cc(CCN2CCN(C(=O)OC(C)(C)C)CC2C)ccc1F,GVOVGWJDACGETR-UHFFFAOYSA-N
rxn:4:199839:223505,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,PARDQUZFPYQDQR-HSZRJFAPSA-N
rxn:4:199842:223498,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,VKPZSBXDDUKREP-UHFFFAOYSA-N
rxn:4:199842:224397,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1,MQBMDYJRDMFCPM-UHFFFAOYSA-N
rxn:4:199854:226236,CCCCOc1ncc(C)cc1-c1ccccc1CCC(=O)N1CCC(N2CCC(OC)C2)CC1,BOCWYZXDLVVQAV-UHFFFAOYSA-N
rxn:4:199860:225671,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(C2CCCCC2)ncc1F,QBIZDHYLQKRIAJ-UHFFFAOYSA-N
rxn:4:199863:225557,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(C2(C(=O)OC)CC2)cc1,DMZGFEDYQKEVEG-UHFFFAOYSA-N
rxn:4:199874:223637,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)C1,LYHZLONLQNQSHW-UHFFFAOYSA-N
rxn:4:199874:223818,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc2)C1,HBPAKNDEODJDMU-UHFFFAOYSA-N
rxn:4:199910:223525,CCOCCn1c(=NC(=O)c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)sc2cc(F)ccc21,MZACIAPENBRYPO-UHFFFAOYSA-N
rxn:4:200026:223351,CONCc1ccc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)cc1,BUCOHNXKLPOVKK-UHFFFAOYSA-N
rxn:4:200078:223695,COC(=O)CCCn1nccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,YCLFHLXOAZDRIM-UHFFFAOYSA-N
rxn:4:200088:224371,CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1-c1cnc(N2CCC(C(=O)OC)CC2)nc1,IOBNFMSHEIWVCZ-UHFFFAOYSA-N
rxn:4:200340:225353,COC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)cc1C(F)(F)F,SFIWXSLTENJQLV-UHFFFAOYSA-N
rxn:4:200340:225753,COC(=O)c1cnc(C2CC2)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)c1,GHAKJYUERUEPHU-UHFFFAOYSA-N
rxn:4:200357:225530,CCN(CC)Cc1ccc(F)cc1-c1cc([N+](=O)[O-])ccc1OCCN1CCOC(C)C1,GVXDHXWRBCBHOL-UHFFFAOYSA-N
rxn:4:200371:224076,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)C1,USXVLWUUHHVAEB-UHFFFAOYSA-N
rxn:4:200384:224404,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1)N1CC(N2C(=O)COC2=O)C1,AUEXPBOMHULGRU-UHFFFAOYSA-N
rxn:4:200384:224750,O=C(CCc1ccccc1-c1ccc(Cl)c(C(=O)N2CCOCC2)c1)N1CC(N2C(=O)COC2=O)C1,IXPGZVZKACXXMR-UHFFFAOYSA-N
rxn:4:200384:227288,CN(C)C(=O)c1ccccc1-c1ccccc1CCC(=O)N1CC(N2C(=O)COC2=O)C1,FLVBTUCJFBXOHW-UHFFFAOYSA-N
rxn:4:200473:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1Cl,PCRIEUMNAWPMMY-MRXNPFEDSA-N
rxn:4:200473:223941,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)n2)C1,BAZXTJHYLSNJPY-LJQANCHMSA-N
rxn:4:200477:223104,COc1ncc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc1C1CN(C(=O)OC(C)(C)C)C1,BECQIHAAGPIRTH-UHFFFAOYSA-N
rxn:4:200481:223888,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)C1,TWVNKMPJAGYMMO-NRFANRHFSA-N
rxn:4:200481:226021,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2cc(Cl)ccc2OCC(F)(F)F)C1,AMCAUAGYRRKHQS-HNNXBMFYSA-N
rxn:4:200557:224406,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,GNVCBNSOZYQTAY-UHFFFAOYSA-N
rxn:4:200560:225975,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2ccnc(N3CCOCC3)c2Cl)CC1,JQQYTWOBXLZRBR-UHFFFAOYSA-N
rxn:4:200566:224817,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccccc1S(=O)(=O)N1CCOCC1,PEOGELDKVHNGJX-UHFFFAOYSA-N
rxn:4:200600:224378,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,ZSGRJHCLRVKEEC-UHFFFAOYSA-N
rxn:4:200602:224273,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cn2)CC1,UGXPZJRJNZSSGT-UHFFFAOYSA-N
rxn:4:200602:225294,CCN1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,GZBTUQWKVLEZJL-UHFFFAOYSA-N
rxn:4:200604:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cncc(O[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2C1,SZPZLLCWUWZBCE-JOCHJYFZSA-N
rxn:4:200605:223576,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,OXUXERMQSZYTCN-UHFFFAOYSA-N
rxn:4:200608:222948,COc1ncc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1C1CCN(C(=O)OC(C)(C)C)C1,PZZVCTYQTKITEJ-UHFFFAOYSA-N
rxn:4:200610:223499,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,SUHSBTNEALTKLX-UHFFFAOYSA-N
rxn:4:200610:225984,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,XHKAOVQQFYYUQP-UHFFFAOYSA-N
rxn:4:200649:226549,CCOc1c(Cl)cc(-c2ccccc2C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1OC,JAROJNOQQWMVHT-UHFFFAOYSA-N
rxn:4:200657:224268,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2)C1,OITICJFMJIBASI-UHFFFAOYSA-N
rxn:4:200658:223492,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XCTWXCVERNXRKL-UHFFFAOYSA-N
rxn:4:200662:225163,O=C(CCc1ccccc1-c1ccccc1C(=O)N1CCOCC1)N1CCC(N2C(=O)CSC2=O)CC1,MJSNYKGXRVAQEN-UHFFFAOYSA-N
rxn:4:200662:226002,CC(=O)Oc1cc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)ccc1[N+](=O)[O-],ZXFCKYJHZHAWBM-UHFFFAOYSA-N
rxn:4:200671:226040,Cc1c(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],ZADDRJSAMWBMBQ-UHFFFAOYSA-N
rxn:4:200671:229086,CC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)s1,KBIZNVMTJIGTHM-UHFFFAOYSA-N
rxn:4:200695:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,GQRVHMLLSAWIKT-UHFFFAOYSA-N
rxn:4:200698:225118,COC(=O)c1cc(-c2ccc(OC(C)C)c(C(=O)OC)c2)ccc1CN1CCN(C(C)C)CC1,YBTPORBDZDPYKG-UHFFFAOYSA-N
rxn:4:200698:225754,COC(=O)c1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(C(=O)OC)c2)c(C2CC2)cn1,VDDIVFMWUYTSQE-UHFFFAOYSA-N
rxn:4:200700:225297,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c2)CC1,FKEJBOULANWCHM-UHFFFAOYSA-N
rxn:4:200702:224653,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(Cl)cc3OCC3CCCCO3)c2)CC1,SCIDPIXKLHOKJG-UHFFFAOYSA-N
rxn:4:200704:223497,CC(c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,DSLQDNVKQJUGEL-UHFFFAOYSA-N
rxn:4:200704:226747,CCc1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1C(F)(F)F,LRBLHPYFNXGILZ-UHFFFAOYSA-N
rxn:4:200705:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)CC1,KFNLCAXFXPEFAG-UHFFFAOYSA-N
rxn:4:200705:223670,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,BKKHHNLWNAWTCP-UHFFFAOYSA-N
rxn:4:200707:223526,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2F)CC1,FDCWZABSXBWPFW-UHFFFAOYSA-N
rxn:4:200707:223536,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,SCVNYGOZDBZQMO-UHFFFAOYSA-N
rxn:4:200708:223480,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LVUUMEPAIREHLK-UHFFFAOYSA-N
rxn:4:200708:223935,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c(F)c2)CC1,VWKLLQWFDSRQEY-UHFFFAOYSA-N
rxn:4:200709:226235,CCCCOc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)n1,GCDKYURPAAPJGP-UHFFFAOYSA-N
rxn:4:200712:223491,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)CC1,RFYMQRAICPDKQW-UHFFFAOYSA-N
rxn:4:200727:225218,CC1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2Cl)C1,IOBGRKJZSNCGAV-UHFFFAOYSA-N
rxn:4:200730:223636,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c2C(F)(F)F)CC1,WRPDYXUQYQEZRK-UHFFFAOYSA-N
rxn:4:200733:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)CC1,IHMMBDCZSZDTME-UHFFFAOYSA-N
rxn:4:200734:225877,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3N3CCOCC3)c(F)c2)CC1,ADZIPHXWGQPWQL-UHFFFAOYSA-N
rxn:4:200734:225909,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(C(F)(F)F)c1,PCOVFXXIKUFPLX-UHFFFAOYSA-N
rxn:4:200740:223939,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c(F)cc2F)CC1,QXGUUFMPKMYNJG-UHFFFAOYSA-N
rxn:4:200740:224963,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cccc(COC4CCOCC4)c3)c(F)cc2F)CC1,NTAOKKHBUORKNM-UHFFFAOYSA-N
rxn:4:200773:223022,COCCNC(=O)c1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4cc(OC)ccc4OC)C3)cc2)cc1,AFUMDPSTIOXFOD-UHFFFAOYSA-N
rxn:4:200774:222925,COc1cccc(C2CC(c3ccc(-c4ccc(C5CNC5)c(C(F)(F)F)c4)cc3)=NN2S(C)(=O)=O)c1OC,QEWZBZKQPJFJJG-UHFFFAOYSA-N
rxn:4:200783:223880,Cc1ccc2c(c1)cc(-c1ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c(C)c1)n2C(=O)OC(C)(C)C,ZLKOYSQQMBGFCZ-UHFFFAOYSA-N
rxn:4:200799:228778,COc1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1F,NHBBRKMJXJXSLM-UHFFFAOYSA-N
rxn:4:200802:224886,CCOc1ccc(-c2ccc(CN3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,GFPVXZQKQBYUAI-UHFFFAOYSA-N
rxn:4:200802:225278,CCOc1ccc(-c2cc(C(=O)OC)ccc2C(=O)OC)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,OUQFGOFDXDWBEW-UHFFFAOYSA-N
rxn:4:200813:223635,CC(c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JBFQFLGNUYWSKJ-UHFFFAOYSA-N
rxn:4:200813:223636,CC(c1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MFYBWGPRWVPHLV-UHFFFAOYSA-N
rxn:4:200817:223596,CC(c1ccccc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1,XCQQLJQIRXONKC-UHFFFAOYSA-N
rxn:4:200818:223595,C[C@H]1CN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)c(Cl)c2)CCN1C(=O)OC(C)(C)C,XTVOBAYJWVJDQG-QFIPXVFZSA-N
rxn:4:200821:223169,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)nc3)cc2)CC1,JZMGXWMPDZEUGF-UHFFFAOYSA-N
rxn:4:200821:224273,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cc2)CC1,QJNGDFIQNMYQNK-UHFFFAOYSA-N
rxn:4:200822:227001,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cccc(SCC4CC4)c3)c2)CC1,PZROHPWLPJTDQE-UHFFFAOYSA-N
rxn:4:200822:227994,CC(C)c1ccc(Cl)c(-c2cccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)c1,QKMSWVAKICDUAS-UHFFFAOYSA-N
rxn:4:200824:223880,Cc1ccc2c(c1)cc(-c1ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,BZKAOCGQNVIVPH-UHFFFAOYSA-N
rxn:4:200826:226540,CCOC(=O)c1ccc(F)c(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,BAYKJJAXNGTMPK-UHFFFAOYSA-N
rxn:4:200828:228911,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)c(F)n1,IVMGOEJUGWNOEN-UHFFFAOYSA-N
rxn:4:200831:224597,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CC4)cc(N4CCOCC4)c3)CC2)cc1C,MZOOEPSPTRMHNU-UHFFFAOYSA-N
rxn:4:200832:223992,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1,URPZTZONZOFLOV-UHFFFAOYSA-N
rxn:4:200832:224396,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1,JFKKZXHBGWYXTF-UHFFFAOYSA-N
rxn:4:200880:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,KOFLYWJWMJBIRI-UNWRIRMBSA-N
rxn:4:200882:223636,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c1)C2,AMADAEHGKFYQIN-UHFFFAOYSA-N
rxn:4:200887:224597,COc1ccccc1C1CC(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,FKWHMAFKTIKPBF-UHFFFAOYSA-N
rxn:4:200890:225827,CCOc1ccc(-c2ccnc(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,XIQUJHRKLDWVOZ-UHFFFAOYSA-N
rxn:4:200891:226447,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(C4CCOCC4)c3)cc2C)CC1,CGGJZEDFMHLBAR-UHFFFAOYSA-N
rxn:4:201030:225368,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc5c(c4)OC(F)(F)C(F)(F)O5)ccc3oc2=O)CC1,PJNLIQVBCITEJH-UHFFFAOYSA-N
rxn:4:201089:224720,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)ccc3s2)CC1,GDCIHYZQUMCKOF-UHFFFAOYSA-N
rxn:4:201089:226421,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(Cl)cc4N4CCCC4)ccc3s2)CC1,KQSTXFVCRNRZOD-UHFFFAOYSA-N
rxn:4:201151:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)CCN(CC1CCCN(C(=O)OC(C)(C)C)C1)C2,GCZLCRYRQDQKFY-UHFFFAOYSA-N
rxn:4:201284:223695,COC(=O)Cc1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1[N+](=O)[O-],IVQVLWRCQBRTKJ-UHFFFAOYSA-N
rxn:4:201677:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(N2CCCC(C(=O)CC#N)C2=O)c1F,GXNBMCWMZXKMPW-UHFFFAOYSA-N
rxn:4:201704:225297,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1)N1CC(CN2C(=O)CCC2=O)C1,KNFFSWHPYLQHMF-UHFFFAOYSA-N
rxn:4:201765:223173,O=C(c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1)N1CC(CN2C(=O)COC2=O)C1,DLCAJJWTGKFPCC-UHFFFAOYSA-N
rxn:4:201776:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)s3)c2)CC1,BUWMHOJFWBFDIU-UHFFFAOYSA-N
rxn:4:201794:223646,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1,JXBHIPAANWIZIC-UHFFFAOYSA-N
rxn:4:201817:222631,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,UDYLYHWWMIXORR-UHFFFAOYSA-N
rxn:4:201817:224320,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(S(=O)(=O)N2CCCCC2)ccc1C,KSGJLPMVJORWSZ-UHFFFAOYSA-N
rxn:4:201826:224180,CN1CCN(CCOc2ccccc2-c2ccccc2OCCN2CCN(C)CC2)CC1,YLHHZJNCRCJVNQ-UHFFFAOYSA-N
rxn:4:201836:222584,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cs2)C1,ARBGNLRMCYRWGP-UHFFFAOYSA-N
rxn:4:201837:222584,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)s2)C1,NXWHKBHIFLHYCS-UHFFFAOYSA-N
rxn:4:201837:225172,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(CN4CCOCC4)ccc3F)s2)C1,CSSIZDLUMZBTGC-UHFFFAOYSA-N
rxn:4:201899:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,QIJGDNPNHGYMBU-RQNOJGIXSA-N
rxn:4:201923:223525,CC(C)(C)OC(=O)N1CCC(c2csc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,XCFIYBRVPYYSOT-UHFFFAOYSA-N
rxn:4:201928:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2Cl)CC1,GANVSCNCTORYKR-UHFFFAOYSA-N
rxn:4:201928:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,DCDOGLUMPNRFLQ-UHFFFAOYSA-N
rxn:4:201946:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)cc2C1,PHGDYZOTZXGALL-UHFFFAOYSA-N
rxn:4:201962:222702,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2cc(C3CCCNC3)ccc2C(F)(F)F)c1,XEGVYHSFBNWDOM-UHFFFAOYSA-N
rxn:4:201962:225641,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,HUZHBPZZYUKOLF-UHFFFAOYSA-N
rxn:4:201967:222826,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,PCBBJCZMZCCBOF-UHFFFAOYSA-N
rxn:4:201994:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCOCC4)n3)cc2)CC1,VAWZLBLQUILXSU-UHFFFAOYSA-N
rxn:4:202001:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cc2)C1,YZUUCKHUQGRHDC-UHFFFAOYSA-N
rxn:4:202001:224770,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ccn2)cc(S(=O)(=O)N2CCCC2)c1,QDJVOKBVMRSTJX-UHFFFAOYSA-N
rxn:4:202007:223489,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,VHOJMYHMOQSFSY-UHFFFAOYSA-N
rxn:4:202015:222741,CC(C)(C)OC(=O)c1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cnc1N1CCOCC1,LZAHOZMCPYUGQW-UHFFFAOYSA-N
rxn:4:202020:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnccc3C3CN(C(=O)OC(C)(C)C)CCO3)cn2)CC1,ORSOFLRWQHYHMD-UHFFFAOYSA-N
rxn:4:202020:223883,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1,VDKFKLFJOUGAQX-UHFFFAOYSA-N
rxn:4:202022:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cn2)CC1,DXNGIANNEFZFDM-UHFFFAOYSA-N
rxn:4:202025:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4[N+](=O)[O-])cc3)cc2)CC1,LLUIVTSXEIIBBF-WDYNHAJCSA-N
rxn:4:202073:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3=O)cc2)CC1,LYQHOXSJRWMLQC-UHFFFAOYSA-N
rxn:4:202081:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ccncc5)C4)cc3)ccn2)CC1,UVKQTSQEIURAAQ-UHFFFAOYSA-N
rxn:4:202097:223761,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)CC1,UEKXOYDYPMCBGN-UHFFFAOYSA-N
rxn:4:202097:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,NWAAUMQTYIQITJ-UHFFFAOYSA-N
rxn:4:202106:222947,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3cnc(N4CCCC(O)C4)nc3Cl)c2)C1,ZAJTYHXEKISRFL-UHFFFAOYSA-N
rxn:4:202106:223521,CC(c1cccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HEQSIAKCTYXJCB-UHFFFAOYSA-N
rxn:4:202107:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc(C(F)(F)F)c2)CC1,WIVYEBDSQDECKA-UHFFFAOYSA-N
rxn:4:202116:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2F)CC1,XRIRCDZKBQDTGC-UHFFFAOYSA-N
rxn:4:202128:225984,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2Cl)CC1,HNYMSEPJQBMEDT-UHFFFAOYSA-N
rxn:4:202131:224277,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)CC1,XEZVWLBRNSHMLQ-UHFFFAOYSA-N
rxn:4:202134:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(Cl)c2)CC1,VQRBWFAGGIAEDU-UHFFFAOYSA-N
rxn:4:202158:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(Oc5cc(C)oc(=O)c5)CC4)c3)c(Cl)c2)CC1,WUADGIRIXSZICB-UHFFFAOYSA-N
rxn:4:202161:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)c(F)c2)CC1,ZOJTUKQODCXISA-HCGLCNNCSA-N
rxn:4:202161:224155,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,SRHIEGUWDKHHIZ-UHFFFAOYSA-N
rxn:4:202161:224669,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CN2CCN(C)CC2)cc1F,GXAQYXBJPFQNDD-UHFFFAOYSA-N
rxn:4:202163:222929,Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(Cl)c(N2CCC(O)CC2)c1,GCWOEQCQBATBEJ-UHFFFAOYSA-N
rxn:4:202175:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1,VJRHYWUFVFXFCX-UHFFFAOYSA-N
rxn:4:202200:227804,O=C(C1CN(Cc2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2)CCO1)N1CCOCC1,WJNRVJDWRYYJKK-UHFFFAOYSA-N
rxn:4:202209:222389,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,MYQDLHCTRSAPBQ-UHFFFAOYSA-N
rxn:4:202211:222826,Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)CC2)n1,FJGLHEKBDCGKDP-UHFFFAOYSA-N
rxn:4:202212:222803,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C4CCNC4)c(C(F)(F)F)c3)C2)cc1C,NRGAASMUJYLBGA-UHFFFAOYSA-N
rxn:4:202212:223970,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)C2)cc1C,IJBBROSXNRVMFI-UHFFFAOYSA-N
rxn:4:202225:223937,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)n1,NRWXUTLRFBHNMT-UHFFFAOYSA-N
rxn:4:202225:223939,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)n1,LNUUSXYGFVEZTG-UHFFFAOYSA-N
rxn:4:202228:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,UHCVBKCKSRUSFA-RQNOJGIXSA-N
rxn:4:202233:227390,CC1CCCN(c2ccc(-c3ccnn3C3CCCCC3)c(C(=O)OC(C)(C)C)n2)C1,JZWGRCIAFQUSTQ-UHFFFAOYSA-N
rxn:4:202241:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)c3)cc2)CC1,DBDSTBXKGHUJGF-UNWRIRMBSA-N
rxn:4:202242:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)cc3)cc2)CC1,JKPCGWQQNXOUAE-KWQFAZJVSA-N
rxn:4:202275:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,BLONTTYDLQQVEW-UHFFFAOYSA-N
rxn:4:202284:225529,CCN(CC)Cc1ccc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)cc1F,VNLJSLQNROKLAD-UHFFFAOYSA-N
rxn:4:202290:222524,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)CC2)C1,GXIVNDASWZDIOV-UHFFFAOYSA-N
rxn:4:202290:222985,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)C1,RKWCNSMPOIOUNT-UHFFFAOYSA-N
rxn:4:202290:224377,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)cc3)CC2)C1,YPLLPTSIRVABKB-UHFFFAOYSA-N
rxn:4:202294:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)cc2OC)cc(C2CCCNC2)n1,AKLVTMLKZSFWLC-UHFFFAOYSA-N
rxn:4:202301:224795,CCN(CC)S(=O)(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)ccc1F,ZABCRBWQWGTGAF-UHFFFAOYSA-N
rxn:4:202306:223646,CCN1CCN(Cc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc(C(C)(C)C)c2)CC1,QTKRVQHYUXTEJT-UHFFFAOYSA-N
rxn:4:202306:223680,CCN1CCN(Cc2cc(-c3cc(F)c(-c4cccc(C(F)(F)F)c4)cc3OC)cc(C(C)(C)C)c2)CC1,NMXFSRPOLRVQNS-UHFFFAOYSA-N
rxn:4:202306:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,NWEASVHQPYDOMR-UHFFFAOYSA-N
rxn:4:202310:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,MRUROCDTKWKSIO-UHFFFAOYSA-N
rxn:4:202311:229197,O=C(C1CCN(Cc2ccc(-c3cnn(C(F)F)c3)cc2)CC1)N1CCC(F)(F)CC1,KNIQFVIMZJCZEN-UHFFFAOYSA-N
rxn:4:202316:222524,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)CC2c2ccccc2)cc1,AZALGYLCKXWHSM-UHFFFAOYSA-N
rxn:4:202318:224328,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)cc3)oc2N2CCOCC2)cc1,UUIRHSMLDCWEKJ-UHFFFAOYSA-N
rxn:4:202320:222857,COc1cc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(C2CCNCC2)c1,CHTYJFRNWLJENA-UHFFFAOYSA-N
rxn:4:202320:224964,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(COC4CCOCC4)cc3)c2)CC1,VGBQJNQUSQWUOD-UHFFFAOYSA-N
rxn:4:202327:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(CN(C)C4CCCCC4)c(N4CCOCC4)c3)c3cc(Cl)cnc32)cc1,BODZRDCGBCMDBE-UHFFFAOYSA-N
rxn:4:202328:228635,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C)c3C)CC2)CC1,DTGRJCYQXDMSBK-UHFFFAOYSA-N
rxn:4:202330:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,FDJXBAMBKNBEFE-UHFFFAOYSA-N
rxn:4:202331:222449,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)cc1S(=O)(=O)NCc1ccccc1,LZSORBGSNZFAKU-UHFFFAOYSA-N
rxn:4:202341:225053,CC(C)N1CCN(Cc2cc(-c3ccc(N4CCCCC4C)cc3F)cc(C(C)(C)C)c2)CC1,LQDMGQHUKPQBBZ-UHFFFAOYSA-N
rxn:4:202712:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)cc2[N+](=O)[O-])CC1,KDUHVTPIKZHXHS-VWLOTQADSA-N
rxn:4:202712:223937,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cc5cccc(Cl)c5n4C(=O)OC(C)(C)C)ccc3C2=O)C1,WHJVARPMRUTXNO-QFIPXVFZSA-N
rxn:4:202714:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)CC1,OLCFOHHLVZMQKS-UHFFFAOYSA-N
rxn:4:202764:224764,O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccccc1-c1ccc(C(=O)N2CCOCC2)cc1F,KJTSINJTSQEEJM-UHFFFAOYSA-N
rxn:4:203587:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(CC(=O)N3CCOCC3)c2)CC1,NMXIPVTWELHVNE-UHFFFAOYSA-N
rxn:4:203651:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1,PEDUAYINTHADJR-UHFFFAOYSA-N
rxn:4:203709:223662,O=C(OCc1ccccc1)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c([N+](=O)[O-])c1,FHIWEWRBEIYPTE-UHFFFAOYSA-N
rxn:4:203709:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)C2)o1,JOXDGBVJNVUXGK-UHFFFAOYSA-N
rxn:4:203775:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cncc(S(=O)(=O)N2CCC(OC)CC2)c1,FGQGZEUOSVAQMY-UHFFFAOYSA-N
rxn:4:203833:226043,COc1c(F)cc(Cl)c(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1[N+](=O)[O-],NFNBVBKMBOHVEJ-UHFFFAOYSA-N
rxn:4:203833:227348,COc1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c(C)c1OC,CZRGVHGVQUWLKG-UHFFFAOYSA-N
rxn:4:203914:222623,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc(C2CCNCC2)n1,YMWXSRCESGZVON-UHFFFAOYSA-N
rxn:4:203915:226335,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)ccc1C1COC1,LKTPVAVMBHUQHH-UHFFFAOYSA-N
rxn:4:203919:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)c(F)c2)CC1,JPOQNJVODKRGFY-ALOJWSFFSA-N
rxn:4:203920:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(C)CC4)c3OC)cc2)CC1,XLUSPGFISHPUDX-UHFFFAOYSA-N
rxn:4:203920:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OC)c(F)c2)CC1,BQBDMFROCNAUHM-HZCBDIJESA-N
rxn:4:203937:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CC(N2CCCC2)C1,LCYZCDQEBWDZSS-UHFFFAOYSA-N
rxn:4:203939:224080,O=S(=O)(C1CC1)N1CCN(c2cccc(-c3ccc(OCCCN4CCCCC4)cc3)c2)CC1,ZAWWAYIRZHHUNE-UHFFFAOYSA-N
rxn:4:203940:223695,O=S(=O)(c1cccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)c1)N1CCC2(CC1)OCCO2,GGVONBBNYMTOSL-UHFFFAOYSA-N
rxn:4:203955:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,KLIJPYSGULDKHJ-UHFFFAOYSA-N
rxn:4:203972:222538,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(C)c2)CC1,WKWVDAHCVWERJA-UHFFFAOYSA-N
rxn:4:203972:224819,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)CC1,JUCSIJVXGDZTCA-UHFFFAOYSA-N
rxn:4:203977:224791,CC(C)OC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c([N+](=O)[O-])c1,WHIZFMBVWSFMQZ-UHFFFAOYSA-N
rxn:4:203977:224904,O=C(c1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1)C1CCCCC1,GJJCBHKCGFJEQZ-UHFFFAOYSA-N
rxn:4:203977:227680,O=C(c1ccccc1-c1cccc2c1OC(F)(F)O2)N1CCC(N2C(=O)CSC2=O)CC1,MNWJBIPOPLXEBW-UHFFFAOYSA-N
rxn:4:203985:224830,O=C(c1ccccc1-c1cc(C(F)(F)F)nn1C1CCCCO1)N1CCC(N2C(=O)COC2=O)CC1,NNRHRXDMZHKTMI-UHFFFAOYSA-N
rxn:4:204011:223505,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,FAGPHNJWYDLBDE-UHFFFAOYSA-N
rxn:4:204014:222846,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C4CCCNC4)ccc3C#N)c2)CC1,LRHDIDBWDXNNFY-UHFFFAOYSA-N
rxn:4:204059:224018,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2Cl)CC1,MIHQLIBQKZWSJB-UHFFFAOYSA-N
rxn:4:204066:224915,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2ccc(N3CCCCC3C)cc2C)c1,ZHGCIGMTVCIDLY-UHFFFAOYSA-N
rxn:4:204066:224960,COc1ccc(-c2cc(C)cc(C(=O)N3CCC(N(C)C)CC3)c2)cc1OC1CCCC1,AQUWYYMGYOIOII-UHFFFAOYSA-N
rxn:4:204066:225346,COc1ccc(-c2cc(C)cc(C(=O)N3CCC(N(C)C)CC3)c2)cc1S(=O)(=O)N(C)C,QVVVCYDITYZHFE-UHFFFAOYSA-N
rxn:4:204069:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)c(C)c3)cc2)CC1,LQTSUUKWCASCDF-DIVCQZSQSA-N
rxn:4:204082:225573,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc(C2CC2)c1,INRVRSAXTBLGOZ-UHFFFAOYSA-N
rxn:4:204082:227533,COC(=O)c1ccc(Cl)c(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,AVQRVQBHKDDTSL-UHFFFAOYSA-N
rxn:4:204091:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,VGOKPNADEKWJEF-FBSWEULCSA-N
rxn:4:204092:222622,CCC(C)c1cc(-c2ccc(CN3CCC(N(C)C)CC3)c(C)c2)cc(C2CCCNC2)n1,KLLPTGVTHZHNQO-UHFFFAOYSA-N
rxn:4:204101:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2)CC1,HXAMFBSBHVYYQO-MCZWQBSQSA-N
rxn:4:204109:222631,CC(C)(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(C2CCNCC2)n1,CTGNXNSLLOKFSQ-UHFFFAOYSA-N
rxn:4:204109:224659,CN1CCN(C(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)CC1,KDXVBLWXHPRPNO-UHFFFAOYSA-N
rxn:4:204109:227811,CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,CECKWDMYWQRMLH-UHFFFAOYSA-N
rxn:4:204109:228807,CSc1ccc(Cl)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,REKMEMCTOAZUIY-UHFFFAOYSA-N
rxn:4:204109:228932,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc(F)n1,QDWVXAXCUXNRCQ-UHFFFAOYSA-N
rxn:4:204114:226738,CC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c([N+](=O)[O-])c1,KWXBMKJLXWEQMO-UHFFFAOYSA-N
rxn:4:204116:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)cc2)CC1,LOTUUSWCQLFEMC-UHFFFAOYSA-N
rxn:4:204116:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)cc2)CC1,LOTUUSWCQLFEMC-DWPDUTPCSA-N
rxn:4:204125:223697,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)CC2)cc1Cl,BJWLYTGESHZDRF-UHFFFAOYSA-N
rxn:4:204125:224393,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3)CC2)cc1Cl,HMFKMHBTGJLRMK-UHFFFAOYSA-N
rxn:4:204131:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cc2)CC1,SALBWXPHTWSVCY-FBSWEULCSA-N
rxn:4:204140:224704,CC1CCN(c2cc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc(F)c2F)CC1,FWEKDGXBFDAKHB-UHFFFAOYSA-N
rxn:4:204140:224960,COc1ccc(-c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)cc1OC1CCCC1,BAYPYORTHBZYES-UHFFFAOYSA-N
rxn:4:204147:225900,CC1CCCCN1Cc1ccc(-c2cc([N+](=O)[O-])ccc2CN(C)C)cc1N1CCCC1,SNTHRSSIYGOJGO-UHFFFAOYSA-N
rxn:4:204166:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,VLPJWFKHFJFOQG-UHFFFAOYSA-N
rxn:4:204166:226267,COCCOc1ccc(C)cc1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,UOUXGNRYSDWIKV-UHFFFAOYSA-N
rxn:4:204167:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,JGFSOLOYLLFNII-UHFFFAOYSA-N
rxn:4:204167:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,ACBDWFHZIROPHT-UHFFFAOYSA-N
rxn:4:204168:222729,CCCc1cc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)cc(C2CCCNC2)n1,YHBQABGBXUBOSP-UHFFFAOYSA-N
rxn:4:204168:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCC(C)CC2)c(N2CCOCC2)c1,NIUZESCYOKQWLA-UHFFFAOYSA-N
rxn:4:204335:223597,COC(=O)c1cnn2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc(OC)c12,NFIOIPGOQBWUPF-UHFFFAOYSA-N
rxn:4:204350:222389,COCn1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C12COCC1O2,GAZFOVUFSQOWEB-UHFFFAOYSA-N
rxn:4:204350:222465,COCn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12COCC1O2,PDOJWPNFVHJADD-UHFFFAOYSA-N
rxn:4:204350:223866,COCn1ncc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1C12COCC1O2,HJPYMTVHJDUXII-UHFFFAOYSA-N
rxn:4:204355:224017,CCOC(=O)c1nc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)n2c1COCC2,NAURJJXXPFEIAX-UHFFFAOYSA-N
rxn:4:204603:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,NJUSFRZXFFGJPC-UHFFFAOYSA-N
rxn:4:204603:223588,Cc1cc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VAEHHCIWPVRLDQ-UHFFFAOYSA-N
rxn:4:204603:223652,COc1ccc(Cl)c2cc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)n(C(=O)OC(C)(C)C)c12,QCSWZTIVWHQKDM-UHFFFAOYSA-N
rxn:4:204682:223646,Cc1cc2c(c(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)n1)CN(C(=O)OC(C)(C)C)CC2,MTMZRMUKHSTRQN-UHFFFAOYSA-N
rxn:4:204751:224269,CC(C)(C)OC(=O)n1cc(-c2cccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)c2)c2ccncc21,FUOYFVFBMVTCFP-UHFFFAOYSA-N
rxn:4:204787:223696,O=C(C1=CN(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2)c2ccccc2S1(=O)=O)N1CCCC1,HGESCYWZUGCQKS-UHFFFAOYSA-N
rxn:4:204926:223597,COc1ccccc1C1c2c(oc3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cc3c2=O)C(=O)N1c1cc(C)on1,LQHIYTOTDCBPEQ-UHFFFAOYSA-N
rxn:4:204931:223900,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)ccc2OC3c2ccc(Cl)cc2)cc1,PSZGLDQAXIJYSE-UHFFFAOYSA-N
rxn:4:204931:224010,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4OC)ccc2OC3c2ccc(Cl)cc2)cc1,CDLFGQOJORRZLN-UHFFFAOYSA-N
rxn:4:205104:223505,COC(=O)c1cnnc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,NTHYTSOEBLHHOL-UHFFFAOYSA-N
rxn:4:205266:223699,Cc1nn(CC(F)(F)F)c(Cl)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,SVIIHEDZVPBPMF-UHFFFAOYSA-N
rxn:4:205604:223499,CN(C)Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,JMWLKTSBKJPREP-UHFFFAOYSA-N
rxn:4:205826:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cccc(-c4nc(C(F)(F)F)c[nH]4)c3Cl)cc12,SUZXJIWDUIHZIA-UHFFFAOYSA-N
rxn:4:206445:223911,CCOC(=O)C1(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)cc2)CCOCC1,JDMDESGCOXJDMF-UHFFFAOYSA-N
rxn:4:206502:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(CN3CCOCC3)c2)CC1,RYPPRCQPPOXENU-UHFFFAOYSA-N
rxn:4:206525:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)nc2)cc1F,OOMANNJMFIZOSH-UHFFFAOYSA-N
rxn:4:206685:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnccc3N3CCCC(CF)C3)cn2)C1,BIDDIKDHTNCFMU-UHFFFAOYSA-N
rxn:4:206793:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc2)CC1,XXGLMASRIUSYMS-UHFFFAOYSA-N
rxn:4:206797:223608,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,REPYZLHAIOWZJX-UHFFFAOYSA-N
rxn:4:206930:222538,CN1CCN(Cc2cc(F)cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,KAUJYXPQDORZPL-UHFFFAOYSA-N
rxn:4:206941:222645,CC(C)(C)C1=NN(c2ccc(-c3cccc(OCCN4CCC(O)CC4)c3)cc2)C(=O)C1,DEEXHGKNMXPXFE-UHFFFAOYSA-N
rxn:4:206945:224416,Cc1nc(C2CCCN(S(C)(=O)=O)C2)sc1-c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1,QMWVWGLUYGLDDQ-UHFFFAOYSA-N
rxn:4:206976:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F,UPNZMBJEMFPPSY-UHFFFAOYSA-N
rxn:4:206976:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3F)c2)CC1,FVAUDVQLCCXXIX-UHFFFAOYSA-N
rxn:4:206991:224397,CN(C)C=C1C(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2)CS1(=O)=O,PTRRRQLVGUQMMO-UHFFFAOYSA-N
rxn:4:207007:225384,O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1,CWRDYRCLVLLADI-UHFFFAOYSA-N
rxn:4:207372:223481,COc1nn(C(C)=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc12,VEPNUEODJUXLFA-UHFFFAOYSA-N
rxn:4:207395:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2c(C(=O)OC)nn3c2CCCC3)CC1,PBYVTFTYCHCVLR-UHFFFAOYSA-N
rxn:4:207450:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3c(=O)n(CC4CC4)cnc3c2)CC1,JRKHTQPYUYIUAV-UHFFFAOYSA-N
rxn:4:207760:223594,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,XQLUUEILXRDQJZ-UHFFFAOYSA-N
rxn:4:207812:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2[nH]cc(C3=CCN(C(C)C)CC3)c2c1,AQVJYMAYSREEKZ-UHFFFAOYSA-N
rxn:4:207843:224552,CCN1CCN(C2CCCc3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc32)CC1,ATUPELWYRQJFCI-UHFFFAOYSA-N
rxn:4:207843:224964,CCN1CCN(C2CCCc3cc(-c4ccc(COC5CCOCC5)cc4)ccc32)CC1,RZTZWTNGTNXCQR-UHFFFAOYSA-N
rxn:4:207946:225125,COc1cc(-c2cc(F)ccc2OCC2CCOC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,WGUMMUXJNOCTIK-UHFFFAOYSA-N
rxn:4:207946:225174,COc1cc(-c2ccc(F)cc2CN2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,QSVFKCJZYDPATD-UHFFFAOYSA-N
rxn:4:207946:225199,COc1cc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,QMLLWNJHBPAJDI-UHFFFAOYSA-N
rxn:4:207946:226060,COc1cc(-c2cc(C3CC3)cc(C3CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,UDJXDPRTVPCPLQ-UHFFFAOYSA-N
rxn:4:207965:224877,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(COC5CCCCC5)cc4)ccc2OC32CCC(C)CC2)cc1,NHGFAHMVBIINMN-UHFFFAOYSA-N
rxn:4:207965:226106,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(OCC(C)C)c4)ccc2OC32CCC(C)CC2)cc1,GSYDIWPFVBFWRS-UHFFFAOYSA-N
rxn:4:207965:226344,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)c(Cl)cc4C4CC4)ccc2OC32CCC(C)CC2)cc1,WPMYVIFOCRKTAX-UHFFFAOYSA-N
rxn:4:207965:226354,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(OC)cc(C5CC5)c4Cl)ccc2OC32CCC(C)CC2)cc1,VZOSZOKXKSMRQA-UHFFFAOYSA-N
rxn:4:207965:227262,CCCOc1cccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c1Cl,ROISAHKSMYWQIR-UHFFFAOYSA-N
rxn:4:207965:227276,CCc1cc(N(C)C)ncc1-c1ccc2c(c1)C1CC(c3ccc(OC)cc3)=NN1C1(CCC(C)CC1)O2,OVRYWYBNWAVUFL-UHFFFAOYSA-N
rxn:4:209436:223602,Cc1nc(N2CCCC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,IIADHDHQUDEHBY-UHFFFAOYSA-N
rxn:4:210982:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)c(F)cn2)CC1,NDOPUGVSXVBZLA-UHFFFAOYSA-N
rxn:4:211089:225997,CCOc1ncc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc1C(F)(F)F,PHFRTUALPUHULP-UHFFFAOYSA-N
rxn:4:211097:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,MTTNDWINBIJRMZ-UHFFFAOYSA-N
rxn:4:211101:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCC(C)CC1)O2,XXTQZNDTCNIHBF-UHFFFAOYSA-N
rxn:4:211101:224669,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCN(C)CC5)cc4F)ccc2OC32CCC(C)CC2)cc1,WOZBLYRZKQZVBH-UHFFFAOYSA-N
rxn:4:211101:225711,COC(COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1)OC,LBYBJOIIDOVBKD-UHFFFAOYSA-N
rxn:4:211188:223482,Cn1ncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1Cl,JCPDURPOSJLAFQ-UHFFFAOYSA-N
rxn:4:212523:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)o3)cc2)CC1,UXZWNXUOPKUHMP-UHFFFAOYSA-N
rxn:4:212546:225984,Cn1ncc(-c2cnc(Cl)c(N3CCOCC3)c2)c1CN(C(=O)OC(C)(C)C)C1CC1,OQXPMNRTEBZVDR-UHFFFAOYSA-N
rxn:4:212571:223683,Cn1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,RKVFZDTYRZMANE-UHFFFAOYSA-N
rxn:4:212607:225877,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,DHZMECLYHDOJHF-UHFFFAOYSA-N
rxn:4:212608:222546,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,CZZOAECSCFFTSC-UHFFFAOYSA-N
rxn:4:212636:222412,CNC(=O)Nc1ccc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,YIVFKSSUGXYGBX-UHFFFAOYSA-N
rxn:4:212651:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc([N+](=O)[O-])cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,NZUCBUNGCJVXBN-UHFFFAOYSA-N
rxn:4:212653:226333,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(C(=O)N3CCC3)c2)n1,LZEUEPYGMHJQAA-UHFFFAOYSA-N
rxn:4:212656:225102,CCN(CC)C(=O)c1cc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,OQYBMYJSEFJMCL-UHFFFAOYSA-N
rxn:4:212675:223649,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],WVQRZMBSPMXCIL-UHFFFAOYSA-N
rxn:4:212691:225665,CN(C(=O)c1ccc(-c2ccc(Cl)cc2N2CCCCC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,OLPPLDMDESDJCJ-UHFFFAOYSA-N
rxn:4:212695:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1CCC(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,UZPZWSALQNPJBV-UHFFFAOYSA-N
rxn:4:212696:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)ccc21,PDBOLSUTHYMPBB-UHFFFAOYSA-N
rxn:4:212704:228427,COc1ccc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1Cl,VWHPSXVKPKZAJQ-UHFFFAOYSA-N
rxn:4:212728:222920,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)NC6CC6)cc5C)cc4)CC3)n2)c1,FSUJICCXHVLBLY-UHFFFAOYSA-N
rxn:4:212741:223931,CC1CN(Cc2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,MHOKFFGZCVKOOR-UHFFFAOYSA-N
rxn:4:212747:225286,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc1N1CCOCC1,FNJSUQNZYGWQNE-UHFFFAOYSA-N
rxn:4:212791:229057,CCOC(=O)c1nn2c(c1-c1cnn(C3CC3)c1)CN(C(=O)OC(C)(C)C)CCC2,WCLIIGVJDBPCMO-UHFFFAOYSA-N
rxn:4:212829:228758,CSc1ncc(C)cc1-c1ccc2[nH]c(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,ZBPDESCLOUYZCL-UHFFFAOYSA-N
rxn:4:212830:222974,CN(C(=O)c1cc2cc(-c3ccc(C(=O)NC(C)(C)C)cc3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,AJZRLMJJHZRGRE-XMMPIXPASA-N
rxn:4:212906:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(OC4CN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,MZLYJNJERGROCD-UHFFFAOYSA-N
rxn:4:212906:223774,COc1cccc2c1cc(-c1cncc(OC3CN(C(=O)OC(C)(C)C)C3)n1)n2C(=O)OC(C)(C)C,JBKCFORNXAYBKQ-UHFFFAOYSA-N
rxn:4:212923:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,UVRUOZRAHGMSJM-UHFFFAOYSA-N
rxn:4:212939:223520,CC(c1ccc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CSANASAKFFNEEG-UHFFFAOYSA-N
rxn:4:212964:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cnc2C1,FINPIODIYGSXRR-UHFFFAOYSA-N
rxn:4:212966:224274,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cn2)C1,KRAULKGNBOYFPR-UHFFFAOYSA-N
rxn:4:212970:223593,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,IRWWPHNWRFQIBG-UHFFFAOYSA-N
rxn:4:212980:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(COc2ccc(F)cn2)C1,WKAIYGFVSHRLHD-UHFFFAOYSA-N
rxn:4:212988:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1,OARNABHAHWUZLV-UHFFFAOYSA-N
rxn:4:213010:225295,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)C1,IFTWIVXHMYYFIR-IBGZPJMESA-N
rxn:4:213011:225984,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,KZXBCUVHNOCBQF-UHFFFAOYSA-N
rxn:4:213039:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,DZRSABVAGVTEDA-UHFFFAOYSA-N
rxn:4:213040:225828,Cc1nc(-c2cnc(N3CCCCCC3)nc2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,RSVYCDMWPULIOZ-UHFFFAOYSA-N
rxn:4:213041:223525,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,BWGDRBAYOFRSNR-UHFFFAOYSA-N
rxn:4:213043:225233,CC1CCCN(c2cc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cnc2Cl)C1,KYTOGZLDLLSVKM-UHFFFAOYSA-N
rxn:4:213046:223884,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,IMSLJHGRZFXNGO-UHFFFAOYSA-N
rxn:4:213046:223904,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,MVYFDRZBHUXFMP-UHFFFAOYSA-N
rxn:4:213048:222722,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C2)cc1C,OIYUTUADLLAGDT-UHFFFAOYSA-N
rxn:4:213048:223696,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cn3)C2)cc1C,WZZBEVJKEQEIBE-UHFFFAOYSA-N
rxn:4:213070:223521,CC(c1cccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JNGMFOLBUQFACC-UHFFFAOYSA-N
rxn:4:213070:223652,COc1ccc(Cl)c2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,FKPWUYRBVHVRAK-UHFFFAOYSA-N
rxn:4:213070:223886,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,YVOYCEUOQMCRCI-UHFFFAOYSA-N
rxn:4:213070:226766,Cc1ccc(OC(F)(F)F)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,LESFYEZCMNHEKY-UHFFFAOYSA-N
rxn:4:213073:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccnn1CC1CCN(C(=O)OC(C)(C)C)CC1,KQFNVCPKLGCADZ-UHFFFAOYSA-N
rxn:4:213073:225312,CN1CCCN(c2ncc(-c3ccnn3CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,DFJDTTSBDRUXAF-UHFFFAOYSA-N
rxn:4:213079:223227,CC(NC1CC1)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)s1,ZCXVTSIHTMXFGR-UHFFFAOYSA-N
rxn:4:213079:223591,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)nc2)CC1,QUQJRXDJBPXWTH-UHFFFAOYSA-N
rxn:4:213079:225233,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cnc2Cl)C1,IXKFHDAKAJZSMI-UHFFFAOYSA-N
rxn:4:213081:226765,COC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(F)c1F,RMIWPCIDIPEUAL-UHFFFAOYSA-N
rxn:4:213088:223506,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2C#N)CC1,UJHRCKQQAKLHGS-UHFFFAOYSA-N
rxn:4:213088:223883,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2C#N)CC1,QFKYDAFKPILBCM-UHFFFAOYSA-N
rxn:4:213092:223932,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)CC1,LDKVHWQWZZQYFB-UHFFFAOYSA-N
rxn:4:213092:225876,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cc(Cl)ccc3N3CCOCC3)c2)CC1,GJYQBVHIKYILFW-UHFFFAOYSA-N
rxn:4:213093:223773,COc1cccc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)n(C(=O)OC(C)(C)C)c12,MRHQEAJEFJXZDG-UHFFFAOYSA-N
rxn:4:213094:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)CC1,JEQAOGRDPHUKKN-UHFFFAOYSA-N
rxn:4:213095:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,KTABGGCMGKKCER-UHFFFAOYSA-N
rxn:4:213100:226655,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)cnc3N3CCCC3)c(C(F)(F)F)n2)CC1,FUGJUUJLAXKTPB-UHFFFAOYSA-N
rxn:4:213126:225979,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)nc2)CC1,ZXVOQLIRXWTYLL-UHFFFAOYSA-N
rxn:4:213127:223104,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccn2)CC1,VITGBTAVDFDXMH-UHFFFAOYSA-N
rxn:4:213128:223492,COc1nc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,QTVRQSIKSZOINT-UHFFFAOYSA-N
rxn:4:213129:224371,COC(=O)C1CCN(c2ncc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c(OC)n3)cn2)CC1,VKVOSNPWKBEPAV-UHFFFAOYSA-N
rxn:4:213129:225947,COc1nc(-c2cnc(N3CCN(C)CC3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,YWVBJOKDLZIYNU-UHFFFAOYSA-N
rxn:4:213130:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cncc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,GVDCGISOUCADRR-UHFFFAOYSA-N
rxn:4:213131:222546,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NRQHLBTYYVUIPU-UHFFFAOYSA-N
rxn:4:213135:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)cc2F)CC1,RHCMCSBLCQWWBO-UHFFFAOYSA-N
rxn:4:213138:223671,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2F)CC1,DEYAWHZNLZWSPH-UHFFFAOYSA-N
rxn:4:213139:225232,CC1CCN(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cnc2Cl)CC1,HPIPWBANMZRGGB-UHFFFAOYSA-N
rxn:4:213144:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cn2)CC1,GVQXJLXOJDYJSF-UHFFFAOYSA-N
rxn:4:213144:224158,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,WCQRMCZLVOOEHV-UHFFFAOYSA-N
rxn:4:213147:222628,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CC1,CCERGOMUCHBPII-UHFFFAOYSA-N
rxn:4:213162:225943,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)N5CCOCC5)s4)cn3)CC2)cc1F,XXMOVULSKFVQGB-UHFFFAOYSA-N
rxn:4:213168:224619,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4ccc(OCCN5CCCC5)c(F)c4)cc3)nn2)CC1,CYYFVJOPVHPYLX-UHFFFAOYSA-N
rxn:4:213178:225172,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)c(C)o1,FKABIFKSFYXTMT-UHFFFAOYSA-N
rxn:4:213191:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,UASTWLGLEBHNHU-UHFFFAOYSA-N
rxn:4:213217:224963,CCN1CCN(c2ncc(-c3cccc(COC4CCOCC4)c3)cc2C(=O)OC(C)(C)C)CC1,SOPYSEUCSUMYBO-UHFFFAOYSA-N
rxn:4:213217:226773,CCN1CCN(c2ncc(-c3ccc(Cl)c(C(=O)OC)c3F)cc2C(=O)OC(C)(C)C)CC1,RSJZWSXYYNOSFY-UHFFFAOYSA-N
rxn:4:213220:223502,CC1CN(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,ZOZMHMPAYPEZNE-UHFFFAOYSA-N
rxn:4:213223:222810,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,VLADOIAMSGBKPS-UHFFFAOYSA-N
rxn:4:213225:223480,Cc1cc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XLESUXQBRLBITJ-LJAQVGFWSA-N
rxn:4:213237:223166,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)[nH]1,HJFYTETZBFVHTB-QFIPXVFZSA-N
rxn:4:213260:228196,Cc1ncnc(C2CC2)c1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,OFWKIOQYNHXYOB-UHFFFAOYSA-N
rxn:4:213275:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)n3)c2)CC1,IKUVTDSRMAXUGF-UHFFFAOYSA-N
rxn:4:213275:224323,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)no3)CC2)cc1,HZWZFEGJOCVIQO-UHFFFAOYSA-N
rxn:4:213320:225978,COC(=O)c1nc(-c2ccc(N3CCOCC3)nc2F)n2c1CN(C(=O)OC(C)(C)C)CC2,VNFOPRLUWWXESG-UHFFFAOYSA-N
rxn:4:213336:227377,COC(=O)c1nc(-c2cncnc2C2CCCC2)n2c1CCN(C(=O)OC(C)(C)C)CC2,AEXAXBYUGVUGLS-UHFFFAOYSA-N
rxn:4:213392:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)c1,SQCFKQGEFRCDHD-UHFFFAOYSA-N
rxn:4:213474:224268,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)ccc2-3)[nH]1,UDGRCAFXOOTONT-YTTGMZPUSA-N
rxn:4:213481:226025,COC12CC(COC(=O)c3cncc(-c4cnc(OC5CCOC5)nc4Cl)c3)CN(C)C1Cc1cn(C)c3cccc2c13,ZJZSULXXIQMDMD-UHFFFAOYSA-N
rxn:4:213483:223695,COC(=O)Cn1cc(C#N)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,XQIVUFUQWSGJCT-UHFFFAOYSA-N
rxn:4:213488:222439,COC(=O)CCc1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)n[nH]1,TXFHEERFDKIINL-UHFFFAOYSA-N
rxn:4:213642:223562,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1,NBGVUEOONULTNG-UHFFFAOYSA-N
rxn:4:213705:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ccncc2Cl)C1,HPRMDPOWJKXWLX-UHFFFAOYSA-N
rxn:4:213759:224356,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,VXYSWRPDXVAFOG-UHFFFAOYSA-N
rxn:4:213760:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(C(=O)C3CCOCC3)C2)c1,OQKFCYZNBALFSY-UHFFFAOYSA-N
rxn:4:213766:224276,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)co2)CC1,VQYDGHAYBJYCAR-UHFFFAOYSA-N
rxn:4:213767:223777,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)o2)CC1,VFPLBJMWIGTRHS-UHFFFAOYSA-N
rxn:4:213770:223492,Cc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PNRIBQGGOLGWAH-UHFFFAOYSA-N
rxn:4:213798:225227,CC1CCN(c2ncc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2Cl)CC1,JWKAXNNTNAOMAD-UHFFFAOYSA-N
rxn:4:213798:225977,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,ZXRXYJDGWZJVSA-UHFFFAOYSA-N
rxn:4:213798:226716,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccn(C(=O)OC(C)(C)C)n3)cn2)C1,IVXVJKASIJMRKC-UHFFFAOYSA-N
rxn:4:213828:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc(C2CCCNC2)n1,HVJWCTQMGWQUAJ-UHFFFAOYSA-N
rxn:4:213832:225831,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCOCC1,LGJRBKXUNNGCDI-UHFFFAOYSA-N
rxn:4:213838:225829,CC1CCN(c2ncc(-c3c[nH]nc3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,AJTFCIISCDZHQQ-UHFFFAOYSA-N
rxn:4:213839:222584,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,KRQNRNGWQWOFSE-UHFFFAOYSA-N
rxn:4:213839:226021,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cc(Cl)ccc2OCC(F)(F)F)CC1,NTJKWTFVRKSDRH-UHFFFAOYSA-N
rxn:4:213860:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCC(Oc5cnccn5)CC4)cc3)c2)CC1,FHUDNHLJGIHNLO-UHFFFAOYSA-N
rxn:4:213868:222742,O=S(=O)(c1cccc(Cl)c1)N1CCCC(Oc2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1,KSUAXRDQMZYLFF-UHFFFAOYSA-N
rxn:4:213868:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OC4CCCN(S(=O)(=O)c5cccc(Cl)c5)C4)nc3)c2)CC1,DQCXTDKILATLFW-UHFFFAOYSA-N
rxn:4:213879:225980,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cc(N3CCOCC3)ncc2F)CC1,XCWWZFKBGCGVAC-UHFFFAOYSA-N
rxn:4:213880:225975,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,GOAIVRAMDVGGJG-UHFFFAOYSA-N
rxn:4:213884:222813,CC(C)(C)OC(=O)Nc1ncc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,SDVMGLFEJONLDM-UHFFFAOYSA-N
rxn:4:213884:223500,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)CC1,APHIYWXKOALQQY-UHFFFAOYSA-N
rxn:4:213885:225896,COCCOc1cc(-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c(F)cc1F,MOJGDMHGVMDIAG-UHFFFAOYSA-N
rxn:4:213886:225233,CC1CCCN(c2cc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cnc2Cl)C1,OQZDOKFQKYTCOL-UHFFFAOYSA-N
rxn:4:213887:223671,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,NQOAGTXHIOBBJN-UHFFFAOYSA-N
rxn:4:213889:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)c2)CC1,UBDUVOUOBHFOEN-UHFFFAOYSA-N
rxn:4:213891:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2Cl)CC1,SVYLZDYCJCLWAH-UHFFFAOYSA-N
rxn:4:213892:224272,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc3ccncc3n2C(=O)OC(C)(C)C)CC1,IMXSXSCDAXJRSQ-UHFFFAOYSA-N
rxn:4:213893:225975,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,PIBCRJDHUNJSBB-UHFFFAOYSA-N
rxn:4:213894:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,CXFZGSMGRNOZLM-UHFFFAOYSA-N
rxn:4:213897:222546,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,XBBMQBJQGWADSQ-UHFFFAOYSA-N
rxn:4:213897:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnccc1N1CCN(C(=O)OC(C)(C)C)CC1,FXEZXPIDKFOUOG-UHFFFAOYSA-N
rxn:4:213897:225976,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2F)CC1,SSQMUXSUGIJZQO-UHFFFAOYSA-N
rxn:4:213901:224278,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,XEERKJAPUQIRGQ-UHFFFAOYSA-N
rxn:4:213906:224080,O=S(=O)(c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)N1CCC(Cn2cccn2)CC1,ACSZMBWKZBHWJJ-UHFFFAOYSA-N
rxn:4:213941:226612,Cc1c(-c2cnc(N3CCCCC3)nc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,AMPQQFCKJNQXAV-UHFFFAOYSA-N
rxn:4:213942:223578,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,IDFOVZREKOMSAB-UHFFFAOYSA-N
rxn:4:213942:226177,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C2CCCCC2)c1,UNEDTCUDUPRQAI-UHFFFAOYSA-N
rxn:4:213943:223040,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccc(C(=O)NC3CC3)c(F)c2)CC1,DPNMUMDNCBFOQG-UHFFFAOYSA-N
rxn:4:213943:225102,CCN(CC)C(=O)c1cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1F,NYBHASFNROJSHJ-UHFFFAOYSA-N
rxn:4:213944:223932,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)[nH]1,WFRQYFRXIPIGMW-UHFFFAOYSA-N
rxn:4:213945:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2C)cn1,ODAUURMQXFOMEI-UHFFFAOYSA-N
rxn:4:213947:227390,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2ccnn2C2CCCCC2)n1,WLEDFZYKVHNQGM-UHFFFAOYSA-N
rxn:4:213968:222546,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1,NAQFISNFRPMVRY-UHFFFAOYSA-N
rxn:4:213972:225727,CCOC(=O)c1ccc(OC)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,WNDGPQZTVADKKL-UHFFFAOYSA-N
rxn:4:213975:223594,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,GOFKCMFRPFYOAH-UHFFFAOYSA-N
rxn:4:213975:226538,CCOC(=O)c1cc(Cl)ccc1-c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,QLDHPDWDDYRMBK-UHFFFAOYSA-N
rxn:4:213979:223635,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1,AXKDNBMQZJNGQY-UHFFFAOYSA-N
rxn:4:213979:223889,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)nn1,XAJVFYXUPRVWDP-UHFFFAOYSA-N
rxn:4:213981:225711,COC(COc1ccc(-c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1)OC,FAACJZJFRUKHRX-UHFFFAOYSA-N
rxn:4:213986:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BRFYPVMJMFMKPO-UHFFFAOYSA-N
rxn:4:214000:225617,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(OC3CCCCO3)cc2)cc1F,UZNOKNMQHXFPPP-UHFFFAOYSA-N
rxn:4:214017:223528,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,VSWWOTLVSNSEKG-UHFFFAOYSA-N
rxn:4:214027:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,MOEZQEGNEOIPCM-UHFFFAOYSA-N
rxn:4:214036:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc1C,KRUWEPQMADWPPZ-UHFFFAOYSA-N
rxn:4:214042:225295,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,CFVHEUSVJXTXNY-UHFFFAOYSA-N
rxn:4:214042:228299,CCOC(=O)c1csc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c1,XDMYGBXNIBDVJN-UHFFFAOYSA-N
rxn:4:214047:226715,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cnn(C(=O)OC(C)(C)C)c1,MCIHKIAZUXXFJZ-UHFFFAOYSA-N
rxn:4:214050:222596,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1F,JXYWCMFXGJREDC-MSOLQXFVSA-N
rxn:4:214075:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)cc3)cc2)CC1,NKDFUGNYBZOPTB-KWQFAZJVSA-N
rxn:4:214082:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,HDTRNTJAPKBLRR-QVYRIUEQSA-N
rxn:4:214083:222721,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)no3)CC2)cc1C,SLECDYVZNGFSGQ-UHFFFAOYSA-N
rxn:4:214135:223823,CCN(CC)S(=O)(=O)c1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2n1CCOC2,MWVGCANHRCMICU-UHFFFAOYSA-N
rxn:4:214135:224687,CCN(CC)S(=O)(=O)c1c(-c2cc(F)cc(CN3CCC(=O)CC3)c2)nc2n1CCOC2,APVPFDNQRDGUCY-UHFFFAOYSA-N
rxn:4:214185:223186,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnn(C4CCCCO4)c3)c2C1,STLWBOFHJFYXBF-UHFFFAOYSA-N
rxn:4:214185:225009,Cc1cnc(OC2CCCCC2)c(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1,CVEPBEPFCTWELG-UHFFFAOYSA-N
rxn:4:214185:226446,Cc1nc(C2CCOC2)ccc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,VTAKDUHLSBAWSN-UHFFFAOYSA-N
rxn:4:214185:228071,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cccc4c3OCCO4)c2C1,GGXYBGDMWSBTEI-UHFFFAOYSA-N
rxn:4:214201:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)CC1,USCQYZWHQSJFOJ-UHFFFAOYSA-N
rxn:4:214219:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1,MBQNUWWFAMRZIP-UHFFFAOYSA-N
rxn:4:214230:225223,CC1CCN(c2cc(F)c(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)cn2)CC1,VYHJKCILNDKMLS-UHFFFAOYSA-N
rxn:4:214256:223438,CC(C)(C)OC(=O)N1CCc2c(c(-c3cn[nH]c3C(F)(F)F)nn2C2CCOC2)C1,QTPFAHSFTFHDAM-UHFFFAOYSA-N
rxn:4:214256:224830,CC(C)(C)OC(=O)N1CCc2c(c(-c3cc(C(F)(F)F)nn3C3CCCCO3)nn2C2CCOC2)C1,UWDDMPWNNLCJMD-UHFFFAOYSA-N
rxn:4:214256:228460,COc1ncnc(OC)c1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,OJOMOZCHOCTRIC-UHFFFAOYSA-N
rxn:4:214275:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc2)CC1,MMHGIHZPBTWJFY-UHFFFAOYSA-N
rxn:4:214304:228680,CCCn1nc(C)cc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,ADQHGGUDGBZKIZ-UHFFFAOYSA-N
rxn:4:214320:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1,OSBXRRSUBJBRLB-UHFFFAOYSA-N
rxn:4:214320:226502,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccn(C(=O)OC(C)(C)C)c4)cc32)CC1,VLXMWTATWLSCRO-UHFFFAOYSA-N
rxn:4:214350:223491,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)CC3)c2cc1C,PATYYFANWOTROO-UHFFFAOYSA-N
rxn:4:214350:223573,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)c2cc1C,BVUBOZPROHHSEX-UHFFFAOYSA-N
rxn:4:214534:223521,CC(c1cccc(-c2cn(-c3ccc([N+](=O)[O-])cc3)nc2C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JHSXPAAYBCLHBX-UHFFFAOYSA-N
rxn:4:214631:224336,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)C1,KPQSKGHVZBSLMM-UHFFFAOYSA-N
rxn:4:214660:224196,CCN1CCN(Cc2cc(F)cc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)c2)CC1,PYZZXRUFDQEMQJ-UHFFFAOYSA-N
rxn:4:214707:224771,Cc1ccc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1S(=O)(=O)N1CCCC1,IMJZLPCRCBADDJ-UHFFFAOYSA-N
rxn:4:214734:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,SYQHXJSAKBRHFB-UHFFFAOYSA-N
rxn:4:214746:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c(C#N)c1,DHOICTOPJHZOLT-UHFFFAOYSA-N
rxn:4:214746:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c(C#N)c1,DMLMXIJWHMOJNM-UHFFFAOYSA-N
rxn:4:214753:223867,CC1CCN(CCCOc2cccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c2)CC1,TVQRPORWAOHELF-UHFFFAOYSA-N
rxn:4:214753:224247,CC1CCN(C(=O)c2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(F)c2)CC1,FQNJCHZCNFXUJQ-UHFFFAOYSA-N
rxn:4:214759:223671,Cc1cnccc1OC1CCN(c2ncc(Cl)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,QWODFHRTSXCOIS-UHFFFAOYSA-N
rxn:4:214765:225262,COc1cc(C(=O)N(C)OC)ccc1-c1cccc(N2CCC(N(C)C)CC2)c1[N+](=O)[O-],IPONGMISPXRYIW-UHFFFAOYSA-N
rxn:4:214770:225003,COc1cc(N2CCCCC2)ccc1-c1ccc([N+](=O)[O-])c(N2CCC(N(C)C)CC2)c1,ZIQJGDVHHWDRIF-UHFFFAOYSA-N
rxn:4:214772:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1,CUGZNRSBIYGSRK-UHFFFAOYSA-N
rxn:4:214802:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,YBIZMIGIYRNZHY-UHFFFAOYSA-N
rxn:4:214805:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,CVTPXSYMYYMNDS-UHFFFAOYSA-N
rxn:4:214818:226981,CCCCCCc1ccsc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,SCYKKGUVQKHHSJ-UHFFFAOYSA-N
rxn:4:214837:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,LZCPRLOCYCZMOR-UHFFFAOYSA-N
rxn:4:214839:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)s1,NTJVJRRGMJLEHX-UHFFFAOYSA-N
rxn:4:214839:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZMMIFOKEJAAJFN-UHFFFAOYSA-N
rxn:4:214866:223538,O=C(C1CCCN(c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cn2)C1)N1CCOCC1,TWSCZOKZMYTGMC-UHFFFAOYSA-N
rxn:4:214866:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(N2CCCC(C(=O)N3CCOCC3)C2)nc1,RTLUMBVJOAGFTO-UHFFFAOYSA-N
rxn:4:214880:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1OCC,MNNKLQNBDJPVHC-UHFFFAOYSA-N
rxn:4:214995:223997,CCOC(=O)C1CCc2c(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)nnn2C1,VONAJAGISXZSLD-UHFFFAOYSA-N
rxn:4:215056:224771,Cc1ccc(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc1S(=O)(=O)N1CCCC1,GULVAHINIPRXSB-UHFFFAOYSA-N
rxn:4:215079:223498,COc1ccc(Cn2nc(C)c3cc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc32)cc1,STBREOPEUZWCQK-UHFFFAOYSA-N
rxn:4:215096:222947,CC1c2cnc(-c3cnc(N4CCCC(O)C4)nc3Cl)n2CCN1C(=O)OC(C)(C)C,UIIRBWFMELFGLP-UHFFFAOYSA-N
rxn:4:215096:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)C2C,LYXRLPXTBBJGGK-UHFFFAOYSA-N
rxn:4:215104:223885,CC(C)(C)OC(=O)N1CCc2c(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ncn2CC1,HDOUMHTYSHNMBB-UHFFFAOYSA-N
rxn:4:215108:224688,Cn1nc2c(c1-c1ccc(CN3CCC(=O)CC3)c(Cl)c1)CCN(C(=O)OC(C)(C)C)C2,ANQDTEPTABBOGR-UHFFFAOYSA-N
rxn:4:215112:223812,CCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,OWHIPKBQBPAZHT-UHFFFAOYSA-N
rxn:4:215219:223057,O=C(C1CN(c2ccc3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3n2)CCO1)N1CCOCC1,UEPBLZPJLVGAAK-UHFFFAOYSA-N
rxn:4:215852:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,ZLZJYHSZBHDARW-UHFFFAOYSA-N
rxn:4:215883:223602,CCN1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,UFTXEGMFKLPLPV-UHFFFAOYSA-N
rxn:4:215884:222466,CN1CCN(Cc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cnc2F)CC1,KGHFPQLNDRDUEN-UHFFFAOYSA-N
rxn:4:215884:222538,CN1CCN(Cc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cnc2F)CC1,KSNOPVWRKUDHIP-UHFFFAOYSA-N
rxn:4:215927:223835,Cc1cc(F)c(-c2nc(C3CC3)cc(N3CCCCC3)n2)cc1S(=O)(=O)N1CCC(C)CC1,MMFCFWSUTCAAPS-UHFFFAOYSA-N
rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
rxn:4:215963:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3nc(C4CC4)cc(N4CCCC(C)C4)n3)cc2)CC1,DONXQROCVWUJRT-UHFFFAOYSA-N
rxn:4:216159:224329,N#Cc1c(-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)nc2c(c1C#N)CCCCCC2,BPPOGWCVCNBERF-UHFFFAOYSA-N
rxn:4:216252:223103,CC(=O)N1CCc2c(c(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)nn2C2CCOCC2)C1,OQEZFAZPPKQQPJ-UHFFFAOYSA-N
rxn:4:216252:224720,CC(=O)N1CCc2c(c(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)nn2C2CCOCC2)C1,QXZCKGNEDFUSOE-UHFFFAOYSA-N
rxn:4:216381:223482,O=S(=O)(c1cc(-c2ncn(C(F)F)n2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,VHVGTXFLZNPDME-UHFFFAOYSA-N
rxn:4:217030:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nncn3C3CCCOC3)cn2)CC1,SJTYNCXZJPGXAE-UHFFFAOYSA-N
rxn:4:217034:223588,Cc1cc(-c2nncn2C2CCOCC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PXLYVJZDFOZYSH-UHFFFAOYSA-N
rxn:4:217151:223687,CN1CCC(n2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,LSJLUFFKPPDEOL-UHFFFAOYSA-N
rxn:4:217170:223687,CC1CCN(c2cncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n2)CC1,DXNUABVWAJMKQE-UHFFFAOYSA-N
rxn:4:217655:223697,CC(=O)N1CCc2[nH]nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2C1,QRUHJMHMDSTOPU-UHFFFAOYSA-N
rxn:4:217676:223606,Cc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2n1,MPJJHCXETJARKE-UHFFFAOYSA-N
rxn:4:217898:222439,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)CCCC3,WFKSVJUBVRBWNQ-UHFFFAOYSA-N
rxn:4:217905:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,CADDKQSNNVFGIC-UHFFFAOYSA-N
rxn:4:217905:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,FKSDIPMEHKMXBP-UHFFFAOYSA-N
rxn:4:217905:226268,CCCOc1c(SC)cccc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,NCHJOLYWZSOOLW-UHFFFAOYSA-N
rxn:4:217905:226464,COc1ccc2c(c1-c1ccc3c(c1)C1CC(c4ccc(C)o4)=NN1C1(CCN(C)CC1)O3)OCCO2,IIBNITIMBHIBGX-UHFFFAOYSA-N
rxn:4:217907:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2,ONDQCAADPBLOHW-UHFFFAOYSA-N
rxn:4:218521:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2n(n1)CS(=O)(=O)N(C)C2,UBNCFZIQABJMEZ-UHFFFAOYSA-N
rxn:4:218578:224276,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,LDSNMZARIOUNRQ-UHFFFAOYSA-N
rxn:4:218579:225313,CCN1CCN(c2oc(COc3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)nc2C#N)CC1,NDRKUDAKRFYLQB-UHFFFAOYSA-N
rxn:4:218600:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,PJXYPHCOFHLEOT-DIVCQZSQSA-N
rxn:4:218600:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FYOOBMGUTXNYJJ-SOAUALDESA-N
rxn:4:218642:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)ccc2Cl)CC1,BDZVOFNRRAZTBR-UHFFFAOYSA-N
rxn:4:218642:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)c2)CC1,YCIFXJSFOUXLDO-UHFFFAOYSA-N
rxn:4:218655:223490,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SAFKEHCJSUSVRZ-UHFFFAOYSA-N
rxn:4:218656:225877,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,SILQGAJNVMVAMU-UHFFFAOYSA-N
rxn:4:218682:222634,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)CC1,GKJALUCIHIHCJP-UHFFFAOYSA-N
rxn:4:218698:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CC(C(=O)N5CCN(CCc6ccncc6)CC5)CC4=O)cc3)cc2)CC1,RSLGFDJLRARQHR-ADMXXWOBSA-N
rxn:4:218706:222851,CCc1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)cc(C2CCNCC2)n1,WKLNBADWPQBBPT-UHFFFAOYSA-N
rxn:4:218711:222729,CCCc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc(C2CCCNC2)n1,FRAKOTDYVMDJAJ-UHFFFAOYSA-N
rxn:4:218772:229184,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(F)c(Cl)c4)ccc32)CC1)N1CCOCC1,YVNBLZRYDLBIHJ-UHFFFAOYSA-N
rxn:4:218778:227916,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(OC5CC5)cc4)cc(Cl)cc32)cc(C)c1F,UPSVBSLDTZITGY-UHFFFAOYSA-N
rxn:4:218815:227492,COc1ncnc(C2CC2)c1-c1cnn(CC2CN(C(=O)CN3C(=O)CCC3=O)C2)c1,QWNDQBVKQNXJLU-UHFFFAOYSA-N
rxn:4:218851:223578,CN(c1cnc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cn1)C1CN(C(=O)OC(C)(C)C)C1,DANANSZNSVMMLG-UHFFFAOYSA-N
rxn:4:218851:223739,CN(c1cnc(-c2ccc(O[Si](C)(C)C(C)(C)C)c3ccccc23)cn1)C1CN(C(=O)OC(C)(C)C)C1,SEOUFHZNBCVODC-UHFFFAOYSA-N
rxn:4:218884:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c2F)C1,WJZROEHLBBTEDB-UHFFFAOYSA-N
rxn:4:218903:225975,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2C#N)CC1,FEVUUWHHIAZOLF-UHFFFAOYSA-N
rxn:4:218948:223581,COC(=O)c1cccc2cc(-c3cnc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n(C(=O)OC(C)(C)C)c12,AVCSCYFNQNWHKU-UHFFFAOYSA-N
rxn:4:218948:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ccn2)CC1,AWJJXXBCPGBFCI-UHFFFAOYSA-N
rxn:4:218948:223904,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,YZCKPUBKBXZBGZ-UHFFFAOYSA-N
rxn:4:219002:222546,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,WSFHKTONXANYAW-UHFFFAOYSA-N
rxn:4:219027:228955,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cc(F)c(F)cc2Cl)cnn1C,SQSVIMPFJJYYPU-UHFFFAOYSA-N
rxn:4:219029:222790,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1,HPUYCFAPSVVGTK-UHFFFAOYSA-N
rxn:4:219029:223578,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,CWZZQANTKSJIKM-UHFFFAOYSA-N
rxn:4:219033:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1,XZVFYWMDXUCPJO-UHFFFAOYSA-N
rxn:4:219046:228865,CCOc1cnc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cn1,LAYUUMRUHCRNDH-UHFFFAOYSA-N
rxn:4:219047:222957,COc1ccc(-c2cc(C)cc(C3CCCNC3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,IEPWNUVJXTZWHQ-UHFFFAOYSA-N
rxn:4:219051:223602,CN(c1cnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,FWKZLUNRARWXLH-UHFFFAOYSA-N
rxn:4:219051:223637,CN(c1cnc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,RVQBPSCGYNFPFO-UHFFFAOYSA-N
rxn:4:219062:223136,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccncc2C2CCCNC2)C1,LCNFQYYWPMURNM-UHFFFAOYSA-N
rxn:4:219071:222702,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)cc4)CC3)n[nH]2)cc1,RKUPWTRLCZLEBF-UHFFFAOYSA-N
rxn:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
rxn:4:219135:224964,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(COC6CCOCC6)cc5)c4)C3C2=O)cc1,FBOBOUHBJOYCOT-UHFFFAOYSA-N
rxn:4:219135:225201,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC6CCCC6)c(F)c5F)c4)C3C2=O)cc1,HVXMXBASJDUBKU-UHFFFAOYSA-N
rxn:4:219135:225432,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(COC6CCCC6)c5)c4)C3C2=O)cc1,WAPBSTVPTLQDCA-UHFFFAOYSA-N
rxn:4:219247:223809,Cc1ncsc1C(=O)N1CC(Cn2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cn2)C1,KLKJJVOCQPIYMM-UHFFFAOYSA-N
rxn:4:219334:223520,CC(c1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ICBGQOWHZQFFFC-UHFFFAOYSA-N
rxn:4:219334:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)ccn2)CC1,WJYZTOXOICNWKC-UHFFFAOYSA-N
rxn:4:219369:225123,Cn1c(-c2ccncc2OCC2CCCCO2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,WFGFLYLQKOBSTB-UHUGOGIASA-N
rxn:4:219369:225664,Cn1c(-c2ccc(N3CCCCC3)cc2Cl)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,RNMASAHSBQWBRM-LJQANCHMSA-N
rxn:4:219370:224486,CC(C)N(C(=O)c1cccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)c1)C(C)C,ZGDYVSIIXIDRFU-UHFFFAOYSA-N
rxn:4:219370:225947,CN1CCN(c2ncc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,DNOOBKYZMPOZBZ-UHFFFAOYSA-N
rxn:4:219371:225947,CN1CCN(c2ncc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LNOLNBFQWWVBEQ-UHFFFAOYSA-N
rxn:4:219372:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)c1,CAGNTMFJQRKJKA-UHFFFAOYSA-N
rxn:4:219372:225657,Cc1cc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CCOCC1,JNJWUWUAPFRUBW-UHFFFAOYSA-N
rxn:4:219372:226427,CC1CCN(c2csc(-c3nn[nH]c3C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,YYSALRUQXDWVDB-UHFFFAOYSA-N
rxn:4:219373:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)n1,IKCRHXRNHFOGAH-UHFFFAOYSA-N
rxn:4:219374:224283,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)nn2)CC1,YPFIWKVGWYCZPJ-UHFFFAOYSA-N
rxn:4:219385:223595,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1F,BERFLSKZMWOWLX-UHFFFAOYSA-N
rxn:4:219385:223670,CCc1ncnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F,HETGUECPRAHQSQ-UHFFFAOYSA-N
rxn:4:219404:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,UCIQRYDSBANZAC-UHFFFAOYSA-N
rxn:4:219406:222729,CCCc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C2CCCNC2)n1,LYFZOMFXZCFVPS-UHFFFAOYSA-N
rxn:4:219452:223933,Cc1nc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,DLLGRJXXGBRHGM-UHFFFAOYSA-N
rxn:4:219452:227767,CCn1cc(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,HJVWFCKQHDCNGE-UHFFFAOYSA-N
rxn:4:219453:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,YWYVVAOZMQAKAJ-MONLTZSXSA-N
rxn:4:219454:226324,Cc1c(-c2cccnc2OC2CCCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,UVRQBQFKUYWKJR-UHFFFAOYSA-N
rxn:4:219463:223636,Cc1cc(OCC2CCN(c3ncc(-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)cn3)CC2)ccn1,OHZXGQUNFUBPBI-UHFFFAOYSA-N
rxn:4:219467:222584,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)n1,ULNWUYVCUCHSMR-UHFFFAOYSA-N
rxn:4:219469:225312,CSc1ncc(-c2cnc(N3CCCN(C)CC3)nc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,LCVZOFFQFYFMLS-UHFFFAOYSA-N
rxn:4:219469:226661,CSc1ncc(-c2cc(N3CCN(C)CC3)cs2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,YFUMUKQQLWEJDJ-UHFFFAOYSA-N
rxn:4:219473:222634,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,RMTCHEHOBPXPRQ-UHFFFAOYSA-N
rxn:4:219487:226715,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3cnn(C(=O)OC(C)(C)C)c3)cn2)CC1,VLRWVKIDSQVEEZ-UHFFFAOYSA-N
rxn:4:219489:223884,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,NOPKLOINOKOWIW-UHFFFAOYSA-N
rxn:4:219501:227571,CCOc1cc(F)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,MSVHKULMCITWPB-UHFFFAOYSA-N
rxn:4:219533:227710,CSc1ncc(-c2ccc(OS(C)(=O)=O)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,HNWBRLCOXOJHGB-UHFFFAOYSA-N
rxn:4:219552:226231,CCCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)cc1C,DJGCPVMUDZBAQW-UHFFFAOYSA-N
rxn:4:219552:228866,COCc1noc(C)c1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,SJHCWYGUVRSQBO-UHFFFAOYSA-N
rxn:4:219651:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(OC)cc3CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)cc2)cc1,OAYZFRSLNVWNQF-UHFFFAOYSA-N
rxn:4:219651:225346,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,DIIZSHVORHKFAZ-UHFFFAOYSA-N
rxn:4:219653:222684,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)nc3s2)CC1,IYLDHMSAZBMDDU-UHFFFAOYSA-N
rxn:4:219653:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(F)c2)CC1,UBLKSJWPAPIMEY-UHFFFAOYSA-N
rxn:4:219654:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cnc1Cl,WMJWYGCACKFTPI-UHFFFAOYSA-N
rxn:4:219687:223648,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc32)CC1,XROGKUZGWGCBRZ-UHFFFAOYSA-N
rxn:4:219687:224278,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cnc5c(ccn5C(=O)OC(C)(C)C)c4)cc32)CC1,BJAVXGMYMHIIFC-UHFFFAOYSA-N
rxn:4:219688:223059,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cn3n2)CC1,OSJQCPYUPBUPJF-UHFFFAOYSA-N
rxn:4:219688:223528,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3n2)CC1,ZEYZBULTTQHNIT-UHFFFAOYSA-N
rxn:4:219689:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn12,DUEKHYNJKOPZMG-UHFFFAOYSA-N
rxn:4:219689:223671,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)n3c2)CC1,UKEUZXXULMFKCV-UHFFFAOYSA-N
rxn:4:219692:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cn2)CC1,ORFHXHQOCFWXMT-UHFFFAOYSA-N
rxn:4:219707:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,DIHIZBXPEVXKQS-UHFFFAOYSA-N
rxn:4:219710:222947,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCCC(O)C6)nc5Cl)c(C)c4)C3C2=O)c1,VOKKNEZIRJAEBC-UHFFFAOYSA-N
rxn:4:219743:224759,CC(C)c1sc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,JKZVVPGRTTWWME-UHFFFAOYSA-N
rxn:4:219750:224319,COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,CKUKRNZPIVFFDA-UHFFFAOYSA-N
rxn:4:219776:223699,Cc1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)ccc3n2)CC1,JYPJWQNGRSGMFD-UHFFFAOYSA-N
rxn:4:219904:223671,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,RSTQNAGQBBGDND-UHFFFAOYSA-N
rxn:4:219950:223695,CSc1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(N2CCN(C3CCC3)CC2)n1,IIVXTPMMNFEXRX-UHFFFAOYSA-N
rxn:4:219959:222722,O=C(C1CN(c2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)CCO1)N1CCOCC1,JWCBSNCXXQJVJY-UHFFFAOYSA-N
rxn:4:219959:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,YDOPFRXLMGXFJL-UHFFFAOYSA-N
rxn:4:219996:222465,c1cc(N2CCN(c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)nc(C2CC2)n1,JFCIXPIGDYNVHV-UHFFFAOYSA-N
rxn:4:220038:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)C2,WAEJUHFKQONRNG-UHFFFAOYSA-N
rxn:4:220039:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,ASORTFLTVMXSKD-UHFFFAOYSA-N
rxn:4:220040:224834,CN(C)S(=O)(=O)n1cc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,GSHQCKUZJBGCSY-UHFFFAOYSA-N
rxn:4:220041:223883,CC(C)(C)OC(=O)N1CCn2nnc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2C1,CPJNIQRSHMLVPZ-UHFFFAOYSA-N
rxn:4:220069:223606,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)n2CC1,NXQVMDSOQUIUKN-UHFFFAOYSA-N
rxn:4:220069:225377,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(OC(F)F)c(C(F)(F)F)c3)n2CC1,PVKSIVNEDXSLIZ-UHFFFAOYSA-N
rxn:4:220070:225284,CC(C)Cc1cc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)cnc1C(F)(F)F,CQWXFCBOSYRFLN-UHFFFAOYSA-N
rxn:4:220070:225347,CC(C)Oc1ncc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)cc1C(F)(F)F,MIFOXLGSBRJGJO-UHFFFAOYSA-N
rxn:4:220136:222630,O=S(=O)(C1CC1)N1CCN(c2ncnc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc23)CC1,OOCDFMYUPMUXLQ-UHFFFAOYSA-N
rxn:4:220161:223638,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(C6CCCN(C(=O)OC(C)(C)C)C6)c5)c(C)c4)C3C2=O)c1,YKURUYMQCUEVSZ-UHFFFAOYSA-N
rxn:4:220226:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,GZKKNKJPQPYWLG-UHFFFAOYSA-N
rxn:4:220405:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCC(N3CCOC3=O)C2)nc1,STXIXYKZZUQURC-UHFFFAOYSA-N
rxn:4:220461:223929,CC(C)C(=O)N1CCn2nc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc2C1,BYRLFFXZUWUVQI-UHFFFAOYSA-N
rxn:4:220463:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc([N+](=O)[O-])c(N2CCOCC2)c2nsnc12,WOFPVIDYBDACAO-UHFFFAOYSA-N
rxn:4:220808:223697,Cn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)nc1N1CCCCC1,VKSDVOYCLDEIRY-UHFFFAOYSA-N
rxn:4:220854:223482,N#Cc1nnc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccc2n1,FNSPXRYBYVLFNC-UHFFFAOYSA-N
rxn:4:220881:223490,Cc1ccc(-c2cn3nc(C4CC4)nc3cn2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SFENDGSMEZVNFA-UHFFFAOYSA-N
rxn:4:220883:223482,CSc1ncc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nn(C)c2n1,UUSNUYNYYYECIC-UHFFFAOYSA-N
rxn:4:220926:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc2ccc(N3CCCC3)nn12,IJCIEVAXWXZJOU-UHFFFAOYSA-N
rxn:4:220936:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,QAKTZRUZGQSCGZ-UHFFFAOYSA-N
rxn:4:221090:224672,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(N3CCN(CC)CC3)cc2Cl)cn1,WQAURWRBCHRFJE-UHFFFAOYSA-N
rxn:4:221094:224486,CC(C)N(C(=O)c1cccc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1)C(C)C,LFMAQWQIIQJETJ-UHFFFAOYSA-N
rxn:4:221112:222741,CCOc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,BMJIDLCLKWDAQH-UHFFFAOYSA-N
rxn:4:221115:223992,CCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,FSYKACOPTXFUIM-UHFFFAOYSA-N
rxn:4:221171:223671,CCc1ncnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c1F,BQIXPYQVRUVAAQ-UHFFFAOYSA-N
rxn:4:221173:222584,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,NCWGZPBRUYIXPU-UHFFFAOYSA-N
rxn:4:221182:228712,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccnn4C4CCC4)cn3)CC2)C1=O,XCXGQLVDJPKCOS-UHFFFAOYSA-N
rxn:4:221186:222699,CN(CC1CCN(c2ncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,JHLMIHDFWYZTQI-UHFFFAOYSA-N
rxn:4:221193:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1Cl,OJJWQUUYNJXUSC-UHFFFAOYSA-N
rxn:4:221198:225294,CCN1CCN(c2ncc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cn2)CC1,PVKRUCMWDDIQAZ-UHFFFAOYSA-N
rxn:4:221205:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c2ccccc12,NZMBGBJXFMRSKM-UHFFFAOYSA-N
rxn:4:221207:224391,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)CC2)n1,CAUKOPZPYPRESK-UHFFFAOYSA-N
rxn:4:221249:222546,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OCCNC6CCCCC6)c(F)c5)cnn4c3)cc2)CC1,QYLAMOSTZXIVEE-UHFFFAOYSA-N
rxn:4:221363:223671,Cc1ccnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,CGOCSYSBMZGZEZ-UHFFFAOYSA-N
rxn:4:221389:223533,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1C,CBXHEMHLMTVTFX-UHFFFAOYSA-N
rxn:4:221392:224592,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)n1,MGBVOIBMSHLJJI-UHFFFAOYSA-N
rxn:4:221395:224617,O=c1cc(C2CC2)ncn1CC1CCN(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)CC1,YXJSCRMPJIKEAU-UHFFFAOYSA-N
rxn:4:221412:223638,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)CC2)n1,YXDOYVLWRICSIK-UHFFFAOYSA-N
rxn:4:221412:223888,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cn3)CC2)n1,DXMAKXIKHAVCOI-UHFFFAOYSA-N
rxn:4:221425:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,IKSTXTUNJPEKTJ-UHFFFAOYSA-N
rxn:4:221431:226042,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1,SDAFFRDEWXJWTN-UHFFFAOYSA-N
rxn:4:221440:225219,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)cc4F)cc3)CC2)n1,JWSRIIBFDORTSN-UHFFFAOYSA-N
rxn:4:221450:223812,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,IBBKYPHPZPUIDA-UHFFFAOYSA-N
rxn:4:221498:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2Cl)CC1,LDMWKXBQWLANSP-UHFFFAOYSA-N
rxn:4:221498:224196,CCN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,DUOVFHANTLMXND-UHFFFAOYSA-N
rxn:4:221528:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HQVYVKOMFSVVRC-UHFFFAOYSA-N
rxn:4:221596:224319,COCn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)nc1N1CCN(C)CC1,HXYJTJIJIPKLNP-UHFFFAOYSA-N
rxn:4:221639:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCC(Cn5nc(C)ccc5=O)CC4)nc3)cc2C)CC1,MMLYZMJMIIHEMK-UHFFFAOYSA-N
rxn:4:221641:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,IOHFODRRQGQTTQ-UHFFFAOYSA-N
rxn:4:221641:223597,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)CC1,MWLRSGSBZFYOFY-UHFFFAOYSA-N
rxn:4:221729:223503,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,MHEIDJXYIYCCTL-UHFFFAOYSA-N
rxn:4:221749:223500,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(F)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c(=O)n(C)c3nc2n1C(C)C,JBOUQOHKKLZTML-UHFFFAOYSA-N
rxn:4:221827:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4ccnc5nc(N6CCOCC6)nn45)cc3)cc21,SSFBFHOVMYSXAG-UHFFFAOYSA-N
rxn:4:221971:225283,CCC(C)c1cc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)cnc1C(F)(F)F,OWPQVHCOTLAUKU-UHFFFAOYSA-N
rxn:4:221972:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)ccn2)CC1,ROCXDBNURWBZJO-UHFFFAOYSA-N
rxn:4:221986:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(CC)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,AICXEIVFJANGTM-DUYHBEBVSA-N
rxn:4:222039:225297,O=C(c1cc(-c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,CLLPOZLUEIMZQA-UHFFFAOYSA-N
rxn:4:222053:224760,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)CC2)nc(C(C)(C)C)n1,WSBGLEGDGNINHJ-UHFFFAOYSA-N
rxn:4:222097:223697,Cc1cn2nc(OCC3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5C(F)(F)F)cn4)CC3)ccc2n1,MIBUQNHWSUIIJI-UHFFFAOYSA-N
rxn:4:222149:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5nccc(C(F)(F)F)n5)CC4)nc3)c2)CC1,YTFLWNQOOUIDDR-UHFFFAOYSA-N
rxn:4:222192:225359,COc1cc(-c2cnc(N3CCN(c4nc(C5CC5)nc5c4CCC5)CC3)nc2)c(C(F)(F)F)cc1OC,UXZDPLBIFIYOOR-UHFFFAOYSA-N
rxn:4:222321:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc1,SPRSVMDVIDTGQB-UHFFFAOYSA-N
rxn:4:222338:223595,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)n1,OCUHFTVSLBCQHY-UHFFFAOYSA-N
rxn:4:222389:215838,CN1CCCC(Cn2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,FOIUJTCLZUKPTF-UHFFFAOYSA-N
rxn:4:222722:204021,O=C(C1CCC1)N1CCN(c2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,BOWXKTBEYQOSKZ-UHFFFAOYSA-N
rxn:4:223083:214292,Cc1nc(N2CCC(O)C2)ncc1-c1ccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2c1,WNIHCYPNOBBJFC-UNEJAWRNSA-N
rxn:4:223490:216592,Cc1ccc(-c2nnc(C)n2C2CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QUGUEIVYBWKMAJ-UHFFFAOYSA-N
rxn:4:223490:216780,Cc1ccc(-c2cn(C3CCOC3)nn2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ITSTVKQMBYOVRZ-UHFFFAOYSA-N
rxn:4:223540:217096,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nncn1C1CCCCC1,WBZKJESMKULAOE-UHFFFAOYSA-N
rxn:4:223640:173920,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)OC)c(CC(=O)OC)c4)c3C(=O)C1C2(C)C,IDWLGUMLFRRYKN-UHFFFAOYSA-N
rxn:4:223671:207311,COC(=O)c1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2n1CCOC2,RKRSUMUCWKXXHJ-UHFFFAOYSA-N
rxn:5:176860:223056:225849,COC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)ccc(OC)c1-c1cnc(N2CCCCC2)cc1F,SDPUSUNKOBLIAK-UHFFFAOYSA-N
rxn:5:176860:225982:225784,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccc(CN2CCOCC2)nc1,PBEQTUCEWXKIMH-UHFFFAOYSA-N
rxn:5:177447:223010:222994,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)cc(-c2cccc(N3CCC(O)CC3)c2)c1OC(C)C,XOIAGZLSHALOKC-UHFFFAOYSA-N
rxn:5:177731:225881:226190,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2CCOCC2)nc1F,SWILGAICPATPED-UHFFFAOYSA-N
rxn:5:177731:225976:226664,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccnc(N2CCOCC2)c1F,WPJYYSFUEBZESX-UHFFFAOYSA-N
rxn:5:177733:223056:226679,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)cc(-c2cnc(N3CCCC3)cc2F)c1,VXJUKYUSGZKDOY-UHFFFAOYSA-N
rxn:5:177733:223065:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccc(N3CCNCC3)cc2F)c1,HVYSBWVYMNBCNA-UHFFFAOYSA-N
rxn:5:177733:225976:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,XQIXEHUHYWEIKK-UHFFFAOYSA-N
rxn:5:177733:226794:225976,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccnc(N3CCOCC3)c2F)c1,SMTYJMTUXHLZOB-UHFFFAOYSA-N
rxn:5:177734:225817:223131,Cc1cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c(-c2ccc(N3CCNCC3)cc2)cc1C(=O)OC(C)C,WKIOBXVOSTYIAR-UHFFFAOYSA-N
rxn:5:177736:225976:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccnc(N3CCOCC3)c2F)c1,LRVNDRAPRCWUOP-UHFFFAOYSA-N
rxn:5:177736:225980:226366,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cc(N3CCOCC3)ncc2F)c1,FVDVILKUXAWPQH-UHFFFAOYSA-N
rxn:5:177736:226794:225639,CC1CCN(c2ncccc2-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCSCC3)nc2)CC1,NAZTYBGIPACTET-UHFFFAOYSA-N
rxn:5:177737:225976:226664,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ccc1-c1ccnc(N2CCOCC2)c1F,JIGFMCROXHALHF-UHFFFAOYSA-N
rxn:5:177739:225982:223062,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cnc(C2CCNCC2)cc1F,MTMCYCHLHMYOBU-UHFFFAOYSA-N
rxn:5:177850:222991:223001,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(C2CCCNC2)ccc1F,FAPUBSKYJKNLSC-UHFFFAOYSA-N
rxn:5:177850:222991:223002,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc(C2CCNCC2)cc1F,DNFFJRFRIRMZGJ-UHFFFAOYSA-N
rxn:5:177850:222991:223008,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(C2CCNCC2)ccc1F,IZQKOKOLEGGAKZ-UHFFFAOYSA-N
rxn:5:177850:222991:223147,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,HJJOOTLHSOUIQJ-UHFFFAOYSA-N
rxn:5:177850:222991:225498,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,ATEKQGZABDYIOD-UHFFFAOYSA-N
rxn:5:177850:222991:225625,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(OC2CCCC2)ccc1F,UWWHXHRJARNHOZ-UHFFFAOYSA-N
rxn:5:177850:222994:225620,CCOc1ccc(-c2cccc(N3CCC(O)CC3)c2)c(C2OCCO2)c1-c1ccc(OC2CCOCC2)cc1,KKUOPCFVLAXJRG-UHFFFAOYSA-N
rxn:5:177850:222995:223008,CCOc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(C2OCCO2)c1-c1cc(C2CCNCC2)ccc1F,LQRVEQRFPLHEBX-UHFFFAOYSA-N
rxn:5:177850:223144:225498,CCOc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,CJTDHCWUPQTFJW-UHFFFAOYSA-N
rxn:5:177850:223144:226191,CCOc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(C2OCCO2)c1-c1cc(C2CCCC2)ccc1F,HBSYFQWHEQOYIJ-UHFFFAOYSA-N
rxn:5:177850:223147:222991,CCOc1ccc(-c2ccc(C3CNCCO3)cc2)c(C2OCCO2)c1-c1ccc(N2CCCC(O)C2)cc1,KRANJQOFRSIFPI-UHFFFAOYSA-N
rxn:5:177850:223147:222995,CCOc1ccc(-c2ccc(C3CNCCO3)cc2)c(C2OCCO2)c1-c1cccc(N2CCCC(O)C2)c1,SPUHVESJZKZPSZ-UHFFFAOYSA-N
rxn:5:177850:225499:226191,CCOc1ccc(-c2ccc(C3CCCCC3)cc2F)c(C2OCCO2)c1-c1cc(C2CCCC2)ccc1F,PFMDKQDTXOVCQQ-UHFFFAOYSA-N
rxn:5:177850:225677:225924,CCOc1ccc(-c2ccc(C3CCCCC3)nc2F)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,MISHRVKHTUOHPK-UHFFFAOYSA-N
rxn:5:177850:225809:223010,CCOc1ccc(-c2cc(F)ccc2OC2CCOC2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,QMQYMQUYPGPLKX-UHFFFAOYSA-N
rxn:5:177850:225810:223010,CCOc1ccc(-c2ccc(OC)cc2C2OCCO2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,BOOTUQAKZNTOPB-UHFFFAOYSA-N
rxn:5:177850:226907:223010,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,XVGIMPQDFIGRRF-UHFFFAOYSA-N
rxn:5:177850:226907:225611,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1ccc(N2CCCC2)cc1OC,AVYYZHMHJPDYKK-UHFFFAOYSA-N
rxn:5:177851:223010:225810,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccc(OC)cc1C1OCCO1,YIRBCZRELXRFOW-UHFFFAOYSA-N
rxn:5:177851:223010:226907,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cccc2c1CCC21CC1,JIRCJTKTDBTSRQ-UHFFFAOYSA-N
rxn:5:177851:223202:225810,CCOc1c(-c2ccc(C3(O)CCC3)cc2)cc(C2OCCO2)cc1-c1ccc(OC)cc1C1OCCO1,FZBSFNNFOGXCPZ-UHFFFAOYSA-N
rxn:5:177851:223203:225810,CCOc1c(-c2cccc(C3(O)CCC3)c2)cc(C2OCCO2)cc1-c1ccc(OC)cc1C1OCCO1,MQHBCUGTWQDKKV-UHFFFAOYSA-N
rxn:5:177851:225810:226971,CCOc1c(-c2ccc3c(c2)CCCOC3)cc(C2OCCO2)cc1-c1ccc(OC)cc1C1OCCO1,UCRQIGUENUZPRQ-UHFFFAOYSA-N
rxn:5:177851:225868:226974,CCOc1c(-c2ccc(N3CCOCC3)c(F)c2)cc(C2OCCO2)cc1-c1ccc2c(c1)COC2(C)C,UCBSTFCENYWUMB-UHFFFAOYSA-N
rxn:5:177851:226411:225625,CCOc1c(-c2ccc(N3CCOCC3)cc2)cc(C2OCCO2)cc1-c1cc(OC2CCCC2)ccc1F,VJXFITLPDIDQGR-UHFFFAOYSA-N
rxn:5:177891:226649:227369,O=C(SC1CS(=O)(=O)CC1c1cc(F)ccc1OC1CC1)c1ccccc1-c1cccnc1N1CCOCC1,NSTUGHYYVLQNLB-UHFFFAOYSA-N
rxn:5:177891:226900:227802,O=C(SC1CS(=O)(=O)CC1c1c(F)c(F)c(F)c(F)c1F)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,HACZTYGDTPNBCL-UHFFFAOYSA-N
rxn:5:177891:226900:227828,Cc1c(C2CC2)cccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,KPWZUQLJPJSETE-UHFFFAOYSA-N
rxn:5:177891:226901:228420,CSc1c(F)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1F,DPSHRLKZWVKKDI-UHFFFAOYSA-N
rxn:5:177891:227081:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccc(N2CCCC2)cc1,DLEJHHGKLKNEQJ-UHFFFAOYSA-N
rxn:5:177891:228498:227205,Cn1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc3c2OCCCO3)c(C(F)(F)F)n1,UOFKXOABGVBPQK-UHFFFAOYSA-N
rxn:5:177971:225661:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCOCC4)cc3C)cc1OCC1CCCC1)OCCO2,JFSPYSZGYWNHIL-UHFFFAOYSA-N
rxn:5:178117:227587:225394,COc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCOCC3)c2)cc(F)c1OC,YYUIEEKDRXYUAV-UHFFFAOYSA-N
rxn:5:178118:225499:223010,OC1(c2ccc(-c3ccc(-c4ccc(C5CCCCC5)cc4F)c(OCC4CCCCO4)c3)cc2)CCOCC1,MTKGVMPQTBIYEC-UHFFFAOYSA-N
rxn:5:178118:225631:223138,CN1CCN(c2ccc(-c3ccc(-c4ccnc(C5CCNCC5)c4)cc3OCC3CCCCO3)cc2)CC1,ZJPTVWQGAWDDCR-UHFFFAOYSA-N
rxn:5:178118:227540:225407,COc1c(F)cc(SC)cc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1OCC1CCCCO1,AIMLVQVUZYBRJQ-UHFFFAOYSA-N
rxn:5:178118:227540:225452,COc1c(F)cc(SC)cc1-c1ccc(-c2ccc(OC3C=CCCC3)cc2)cc1OCC1CCCCO1,VEHSTKAAZGYGFH-UHFFFAOYSA-N
rxn:5:178121:225677:227292,CN(C)Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(C3CCCCC3)nc2F)ccc1F,JBKPKESMSLNGLD-UHFFFAOYSA-N
rxn:5:178121:226664:225880,Fc1cnc(C2CCOCC2)cc1-c1cccc(OCC2CCOCC2)c1-c1cc(N2CCCC2)ncc1F,HBRQEPMLVAHIGP-UHFFFAOYSA-N
rxn:5:178121:226857:225465,CN1CCC(c2cccc(-c3cccc(OCC4CCOCC4)c3-c3cc(OC(F)(F)F)ccc3F)c2)CC1,BOBZABHQZLPTIA-UHFFFAOYSA-N
rxn:5:178121:227548:225441,CCOc1ccc(F)c(F)c1-c1c(OCC2CCOCC2)cccc1-c1cc(C2CC2)cnc1C(C)(C)C,LLHMRVDBOCNYDI-UHFFFAOYSA-N
rxn:5:178122:223010:225499,OC1(c2ccc(-c3ccc(COC4CCCCO4)c(-c4ccc(C5CCCCC5)cc4F)c3)cc2)CCOCC1,BDLFVLNPKSPWOD-UHFFFAOYSA-N
rxn:5:178122:225394:227569,COc1ccc(F)c(OC)c1-c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1COC1CCCCO1,XXLHEHHJMOJULA-UHFFFAOYSA-N
rxn:5:178122:225448:227561,COc1cc(F)c(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2COC2CCCCO2)cc1OC,ZHRDXSAOLXPPLP-UHFFFAOYSA-N
rxn:5:178122:225451:227587,COc1cc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2COC2CCCCO2)cc(F)c1OC,IKJPVUVFCZRNNH-UHFFFAOYSA-N
rxn:5:178122:225499:227349,COc1cc(C)cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c1OC,AHYGUVLGOHEJGL-UHFFFAOYSA-N
rxn:5:178122:226149:226598,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(OC(C)C)c(F)cc3F)c2)cc1C(C)(C)C,XFVYHFTZOXIEHM-UHFFFAOYSA-N
rxn:5:178122:227348:225809,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(F)ccc3OC3CCOC3)c2)c(C)c1OC,QQQZYJAFESINLT-UHFFFAOYSA-N
rxn:5:178122:227349:225453,COc1cc(C)cc(-c2ccc(COC3CCCCO3)c(-c3cccc(SC4CCCCC4)c3)c2)c1OC,VXVXVGABNQGYNM-UHFFFAOYSA-N
rxn:5:178122:227561:225451,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3ccc(SC4CCCCC4)cc3)c2)cc1OC,UJVZGCAWJIXWKM-UHFFFAOYSA-N
rxn:5:178122:227587:225515,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cccc4c3OCC(C)(C)CO4)c2)cc(F)c1OC,FIFVUMARJCZEDF-UHFFFAOYSA-N
rxn:5:178122:227592:225394,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1OC,JCSGQIVDSXPDJI-UHFFFAOYSA-N
rxn:5:178224:225498:227349,COc1cc(C)cc(-c2cc(OCC3CCCCC3)cc(-c3cc(C4CCCCC4)ccc3F)c2)c1OC,LHTVCKMBNZJHTM-UHFFFAOYSA-N
rxn:5:178225:225446:227587,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C)cc(OC3CCCC3)c2)cc(F)c1OC,FSJRSKWZRSNNFS-UHFFFAOYSA-N
rxn:5:178225:225451:227341,CC(C)Oc1cccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(SC3CCCCC3)cc2)c1F,RUUCEIFPRKDYCR-UHFFFAOYSA-N
rxn:5:178225:225625:227349,COc1cc(C)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(OC3CCCC3)ccc2F)c1OC,WBANYFOWAMOILI-UHFFFAOYSA-N
rxn:5:178226:225625:226913,CCc1cc(-c2cccc(OCC3CCCCC3)c2-c2cc(OC3CCCC3)ccc2F)cc(C2CC2)c1,LOBOVIMYMAPUMW-UHFFFAOYSA-N
rxn:5:178295:227095:227772,COC(=O)C1(c2cc(-c3cncc(OC(F)(F)F)c3)ccc2-c2ccc(C3CC(=O)C3)cc2)CCC(=O)CC1,IWFDPHBWKRZRFQ-UHFFFAOYSA-N
rxn:5:178313:225407:227058,COc1ccc(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C2CCCCCC2)cc1,ZOYZHAMWVVMZAL-UHFFFAOYSA-N
rxn:5:178313:225445:227058,COc1ccc(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccccc1OC1CCCCC1,KFFOZFKEXHERLB-UHFFFAOYSA-N
rxn:5:178313:227058:225407,COc1ccc(C2CC2)cc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C2CCCCCC2)cc1,FJDJWXBZXWWYPR-UHFFFAOYSA-N
rxn:5:178314:222989:223203,Cc1cc(N2CCNCC2)ccc1-c1ccc(-c2cccc(C3(O)CCC3)c2)c(O[Si](C)(C)C(C)(C)C)c1,PXBZEIOFZMDHAR-UHFFFAOYSA-N
rxn:5:178314:223000:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCCNC4)c(F)c3)cc1O[Si](C)(C)C(C)(C)C)OCCO2,ILISMGXITSLHOY-UHFFFAOYSA-N
rxn:5:178314:223202:222959,Cc1cc(-c2ccc(-c3ccc(C4(O)CCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)ccc1C1CCNCC1,HZTPWUKCMQDEKD-UHFFFAOYSA-N
rxn:5:178314:225625:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(-c2cc(OC3CCCC3)ccc2F)cc1O[Si](C)(C)C(C)(C)C,ORXKBHSMYAWBCK-UHFFFAOYSA-N
rxn:5:178314:226197:222996,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCOC3)cc2)ccc1-c1ccc(F)cc1C1CCCNC1,HDLSSTILFKFCTD-UHFFFAOYSA-N
rxn:5:178315:223131:226611,CCc1ccc(C(F)(F)F)cc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(N3CCNCC3)cc2)c1,FFGRXSCHSAIMGX-UHFFFAOYSA-N
rxn:5:178315:225809:225447,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC3CCCCC3)cc2)cc(-c2cc(F)ccc2OC2CCOC2)c1,LBFZQCSIWNIPOJ-UHFFFAOYSA-N
rxn:5:178315:226343:225591,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC3CCOC3)cc2)cc(-c2cc(CN3CCCC3)ccc2F)c1,YIYWQCDZOZQSGR-UHFFFAOYSA-N
rxn:5:178315:228876:225607,CC(c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cnn(C4CC4F)c3)c2)s1)N1CCCCC1,VINODTSVIVOWNE-UHFFFAOYSA-N
rxn:5:178368:226064:225810,COc1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4ccc(C5CCCCC5)cc4)cc3C)cc2C)c(C2OCCO2)c1,LYCRTZMGAMOXNL-UHFFFAOYSA-N
rxn:5:178466:223061:225454,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,OIVGCWWARWFXKQ-UHFFFAOYSA-N
rxn:5:178466:223064:225980,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,ITKZIPZQCVDRES-UHFFFAOYSA-N
rxn:5:178466:225834:223064,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,MNXIWUGHOINCHX-UHFFFAOYSA-N
rxn:5:178466:225980:225655,CC1CCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cc(N6CCOCC6)ncc5F)ccc34)c2)CC1,JUEPGTZRJHDVTJ-UHFFFAOYSA-N
rxn:5:178466:225982:225982,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,RSPMLZDAWLRYJY-UHFFFAOYSA-N
rxn:5:178466:226583:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)s3)ccc2c1-c1cnc(C2CCNCC2)cc1F,PIHMMBLEVWPIKU-UHFFFAOYSA-N
rxn:5:178467:223061:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,ULQLEZXKCYHYDP-UHFFFAOYSA-N
rxn:5:178467:223061:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,IPHRIGRNOUDKJV-UHFFFAOYSA-N
rxn:5:178467:225833:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,LNLUIHWSXXPYDM-UHFFFAOYSA-N
rxn:5:178467:225833:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ZLNMEDGPCQFPPV-UHFFFAOYSA-N
rxn:5:178467:225980:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,JFKJOYPQKZXWPR-UHFFFAOYSA-N
rxn:5:178467:226437:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,SCGNHZLZACREQB-UHFFFAOYSA-N
rxn:5:178467:226644:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,KJYQHQHTXPYKSP-UHFFFAOYSA-N
rxn:5:178467:226850:223389,CCOC(=O)C1=Cc2cc(-c3c(C)n[nH]c3C(F)(F)F)cc(-c3cc(OC)nc(C(F)(F)F)c3)c2OC1,KVDGLAOUXOQFFR-UHFFFAOYSA-N
rxn:5:178467:227379:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cccnc3N3CCCC3)c2OC1,YNPSRNRVTPIWKR-UHFFFAOYSA-N
rxn:5:178467:227387:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,JWBCFEKPLBNTGJ-UHFFFAOYSA-N
rxn:5:178467:228079:226033,CCOC(=O)C1=Cc2cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)cc(-c3cccc4c3COC4=O)c2OC1,ULGKATWIGWRTHZ-UHFFFAOYSA-N
rxn:5:178568:225982:222990,OC1CCN(c2ccc(-c3c(Cc4ccc(C5CC5)cc4)cc(-c4cnc(N5CCOCC5)cc4F)c4c3OCC4)cc2)CC1,PNWQPEASLDVRCJ-UHFFFAOYSA-N
rxn:5:179405:226652:225832,COc1c(-c2cc(C)nn2C2CCCCO2)ccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(C)=O,BHBIRNCHWZXVTM-UHFFFAOYSA-N
rxn:5:179629:225931:225447,COc1ccc(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)c(S(C)(=O)=O)c1-c1ccc(OC2CCCCC2)cc1,SNHCECGPUVJRSY-UHFFFAOYSA-N
rxn:5:179629:226652:226836,COc1ccc(-c2cc(C)nn2C2CCCCO2)c(S(C)(=O)=O)c1-c1cn(C(C)C)nc1C(F)(F)F,YGJSNBGVNAZFMR-UHFFFAOYSA-N
rxn:5:180021:222982:225810,COc1ccc(-c2cc(C3OCCO3)cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2OC)c(C2OCCO2)c1,BCJUAYWYARMMKM-HSZRJFAPSA-N
rxn:5:180021:222982:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c1OC)OCCO2,HSVLRAVOCWQPDU-JOCHJYFZSA-N
rxn:5:180021:222983:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(CN4CCC(O)C4)c3)c1OC)OCCO2,JXWSEEXYSZPSRF-UHFFFAOYSA-N
rxn:5:180021:222984:225810,COc1ccc(-c2cc(C3OCCO3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2OC)c(C2OCCO2)c1,BCJUAYWYARMMKM-UHFFFAOYSA-N
rxn:5:180021:222984:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(CN4CCC(O)C4)cc3)c1OC)OCCO2,HSVLRAVOCWQPDU-UHFFFAOYSA-N
rxn:5:180021:223010:225809,COc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,MRRDGFUTBJBOME-UHFFFAOYSA-N
rxn:5:180021:225456:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(C4CCN(C)CC4)cc3)c1OC)OCCO2,AHCUBWDVOWKRID-UHFFFAOYSA-N
rxn:5:180021:225465:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3cccc(C4CCN(C)CC4)c3)c1OC)OCCO2,FLLFHRIVRXIINX-UHFFFAOYSA-N
rxn:5:180021:225469:227611,COc1c(-c2ccc(N3CCCC(C)C3)cc2)cc(C2OCCO2)cc1-c1ccnn1C1CCCCO1,STOWXGJBZZZMRE-UHFFFAOYSA-N
rxn:5:180021:225470:226432,COc1c(-c2ccc(N3CCC(C)CC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2CCCC2)nc1F,UPZQOSBJLJUFPY-UHFFFAOYSA-N
rxn:5:180021:225631:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccc(N4CCN(C)CC4)cc3)c1OC)OCCO2,WTNCEDJJQBXBTM-UHFFFAOYSA-N
rxn:5:180021:225637:226464,COc1ccc2c(c1-c1cc(C3OCCO3)cc(-c3ccccc3N3CCN(C)CC3)c1OC)OCCO2,AIJSVISCAZHCBL-UHFFFAOYSA-N
rxn:5:180021:225819:226140,COc1ccc(C(C)(C)C)cc1-c1cc(C2OCCO2)cc(-c2cc(C(F)(F)F)ccc2C2CC2)c1OC,YVLCYKSIIPVHAS-UHFFFAOYSA-N
rxn:5:180021:226027:225802,COc1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc(C2OCCO2)cc1-c1ccc(OC2CCCC2)nc1F,BXFXMWJKFDXAMT-UHFFFAOYSA-N
rxn:5:180021:226027:225809,COc1c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc(C2OCCO2)cc1-c1cc(F)ccc1OC1CCOC1,CQKHSDWPJCWIEQ-UHFFFAOYSA-N
rxn:5:180021:226145:223008,COc1c(-c2ccc(OC3CCCC3)cc2)cc(C2OCCO2)cc1-c1cc(C2CCNCC2)ccc1F,BKHUOXRHDCYLNH-UHFFFAOYSA-N
rxn:5:180021:226190:225931,COc1c(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)cc(C2OCCO2)cc1-c1ccc(C2CCCC2)cc1F,AVIQQQDWDJQUQQ-UHFFFAOYSA-N
rxn:5:180022:222982:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C3OCCO3)c1OC)OCCO2,VWEQJDIPXJWZME-OAQYLSRUSA-N
rxn:5:180022:222984:225810,COc1ccc(-c2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(C3OCCO3)c2OC)c(C2OCCO2)c1,ZCWSPGNHGQQBRW-UHFFFAOYSA-N
rxn:5:180022:222991:226085,COc1c(-c2ccc3c(c2)CCC(C)(C)O3)ccc(-c2ccc(N3CCCC(O)C3)cc2)c1C1OCCO1,DHDFRDWBEKDYGQ-UHFFFAOYSA-N
rxn:5:180022:223133:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccccc2N2CCNCC2)c1C1OCCO1,PKLJXNQSRGMYIT-UHFFFAOYSA-N
rxn:5:180022:223144:225515,COc1c(-c2cccc3c2OCC(C)(C)CO3)ccc(-c2ccc(N3CCC(O)C3)cc2)c1C1OCCO1,KUAZOVSTNAPJHD-UHFFFAOYSA-N
rxn:5:180022:225440:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4(C#N)CCCC4)cc3)c(C3OCCO3)c1OC)OCCO2,KAFRXXNIJQLEFZ-UHFFFAOYSA-N
rxn:5:180022:225454:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4=CCN(C)CC4)cc3)c(C3OCCO3)c1OC)OCCO2,MSKZOMMELUVXLX-UHFFFAOYSA-N
rxn:5:180022:225499:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,VNNMNUPYFUNFQA-UHFFFAOYSA-N
rxn:5:180022:225515:227119,COc1c(-c2cc(C3CCCCC3)cs2)ccc(-c2cccc3c2OCC(C)(C)CO3)c1C1OCCO1,ODUIMRJTPSACLE-UHFFFAOYSA-N
rxn:5:180022:225590:226186,COc1c(-c2ccccc2C2CCOCC2)ccc(-c2ccc(CN3CCCC3)c(F)c2)c1C1OCCO1,WWRQFAUEZCTPDJ-UHFFFAOYSA-N
rxn:5:180022:225601:225449,COc1c(-c2cccc(OC3CCCCC3)c2)ccc(-c2ccc(C3(C#N)CCC3)cc2F)c1C1OCCO1,BLXXSIFREYXQHU-UHFFFAOYSA-N
rxn:5:180022:225617:226611,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(OC3CCCCO3)cc2)c(C2OCCO2)c1OC,ZIVFRZPOVOGUTB-UHFFFAOYSA-N
rxn:5:180022:225623:222992,COc1c(-c2ccc(N3CCCCC3O)cc2)ccc(-c2cccc(OC3CCOCC3)c2)c1C1OCCO1,LVSNWIRWXWQQDE-UHFFFAOYSA-N
rxn:5:180022:225809:226857,COc1c(-c2cc(OC(F)(F)F)ccc2F)ccc(-c2cc(F)ccc2OC2CCOC2)c1C1OCCO1,MYZGWKRBHJNNAN-UHFFFAOYSA-N
rxn:5:180022:225978:225620,COc1c(-c2ccc(OC3CCOCC3)cc2)ccc(-c2ccc(N3CCOCC3)nc2F)c1C1OCCO1,CTKYOVWCCQEQLI-UHFFFAOYSA-N
rxn:5:180022:226027:225802,COc1c(-c2ccc(OC3CCCC3)nc2F)ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1C1OCCO1,RMBCBEWLIUMCKP-UHFFFAOYSA-N
rxn:5:180022:226085:222991,COc1c(-c2ccc(N3CCCC(O)C3)cc2)ccc(-c2ccc3c(c2)CCC(C)(C)O3)c1C1OCCO1,JBMBZNJRSIIXBV-UHFFFAOYSA-N
rxn:5:180022:226154:222996,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(OC)c1C1OCCO1,HLDLTVYWTUQWCE-UHFFFAOYSA-N
rxn:5:180022:226424:223004,COc1c(-c2ccc(C3CCNCC3)c(F)c2)ccc(-c2cc(N3CCCC(C)C3)cs2)c1C1OCCO1,GALQJDQGGJMNLB-UHFFFAOYSA-N
rxn:5:180022:226440:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)ccc(-c2cc(F)nc(C3CCCC3)c2)c1C1OCCO1,VZGRPIWXFMDTQH-UHFFFAOYSA-N
rxn:5:180022:226946:225832,COc1c(-c2c(C)nn(C3CCCCO3)c2C)ccc(-c2ccc3c(c2)CCN(C)C3)c1C1OCCO1,IUAYAYODVJSMTB-UHFFFAOYSA-N
rxn:5:180092:223065:225982,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2cnc(N3CCOCC3)cc2F)c1,IPHGWCCEQACLGL-UHFFFAOYSA-N
rxn:5:180204:226027:226132,Cc1cc(C2(C#N)CC2)ccc1-c1ccc(OC2CCOCC2)c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1,OQVNXMRBGAFKQF-UHFFFAOYSA-N
rxn:5:180297:225456:225683,COc1cc(-c2ccc(C3CCN(C)CC3)cc2)c(C2(C)OCCO2)cc1-c1ccc(C2CCCOC2)nc1C,LWQWVBPWZDEBQH-UHFFFAOYSA-N
rxn:5:180297:225593:227522,COC(=O)c1ccc(-c2cc(C3(C)OCCO3)c(-c3cc(F)cc(CN4CCCC4)c3)cc2OC)c(C)n1,SGFGMPATEYLRNV-UHFFFAOYSA-N
rxn:5:180297:225832:222409,COc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(C2(C)OCCO2)cc1-c1ccc(OC)c(S(N)(=O)=O)c1,PEIOILBOOGERRP-UHFFFAOYSA-N
rxn:5:180297:225924:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(S(=O)(=O)N(C)C)cc3C)cc2OC)c(C2OCCO2)c1,KVIVJSKZTUJGPO-UHFFFAOYSA-N
rxn:5:180297:225930:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3cc(C)ccc3S(=O)(=O)N(C)C)cc2OC)c(C2OCCO2)c1,WRYKWICMZBFYDI-UHFFFAOYSA-N
rxn:5:180297:226027:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc2OC)c(C2OCCO2)c1,IAMFMECFWZJQFQ-UHFFFAOYSA-N
rxn:5:180297:227517:226898,COc1cc(-c2ccc(OC3COC3)nc2)c(C2(C)OCCO2)cc1-c1cn(S(=O)(=O)N(C)C)nc1C,YHZFETIRYYCKSZ-UHFFFAOYSA-N
rxn:5:180297:227710:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(OS(C)(=O)=O)cc3)cc2OC)c(C2OCCO2)c1,GZMQNAOUSFPBMV-UHFFFAOYSA-N
rxn:5:180402:225454:227562,COc1ccc(F)c(-c2cc(-c3ccc(C4=CCN(C)CC4)cc3)ccc2C(=O)C2CCCCC2)c1OC,COJSUEQPCBLZPG-UHFFFAOYSA-N
rxn:5:180422:225810:225448,COc1ccc(-c2ccc(CC3CCCCC3)cc2-c2cc(C)ccc2OC2CCCC2)c(C2OCCO2)c1,LAEGVRBLKPLXFF-UHFFFAOYSA-N
rxn:5:180422:225831:225932,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(N(C)C)c(C(F)(F)F)c2)cnc1N1CCOCC1,IERWYSVIRWRATJ-UHFFFAOYSA-N
rxn:5:180422:226593:225465,CC(C)Oc1ccc(F)c(-c2ccc(CC3CCCCC3)cc2-c2cccc(C3CCN(C)CC3)c2)c1F,RICWJMYBERODEF-UHFFFAOYSA-N
rxn:5:180506:222960:227932,COCc1ccc(C)c(-c2c(-c3cc(C)cc(C4CCNCC4)c3)cc(C(C)(C)C)cc2C2OCCO2)c1,XWIASFXTLOJCMV-UHFFFAOYSA-N
rxn:5:180506:228415:223010,CC(C)(C)c1cc(-c2cc(F)ccc2C(F)F)c(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1,CFLLCAMGYBSDMF-UHFFFAOYSA-N
rxn:5:180602:225930:225810,COC(=O)C1Cc2cc(-c3ccc(OC)cc3C3OCCO3)cc(-c3cc(C)ccc3S(=O)(=O)N(C)C)c2O1,DAWBJUIJDFAXCL-UHFFFAOYSA-N
rxn:5:180602:226794:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,NUUOETMEOVPHEU-UHFFFAOYSA-N
rxn:5:180662:223294:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,REVDXARRXHJGLQ-UHFFFAOYSA-N
rxn:5:180662:226366:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,VCDWREISRRZCGQ-UHFFFAOYSA-N
rxn:5:180662:226794:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,KCCCSLGGJFTQJT-UHFFFAOYSA-N
rxn:5:182947:225832:226836,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3cn(C(C)C)nc3C(F)(F)F)c1)OCCC2=O,FXTYVLCFHRZKCS-UHFFFAOYSA-N
rxn:5:183216:226573:226835,Cc1nc(OC(C)(C)C)ncc1-c1cc2c(c(-c3cc(C(F)(F)F)nn3C(C)C)c1)OC(C)(C)CC2=O,STAUFYYEMMWCSM-UHFFFAOYSA-N
rxn:5:188445:226856:225613,COC(=O)c1cc(-c2cc(C(F)(F)F)ncc2OC)cc([N+](=O)[O-])c1-c1ccnc(OC2CCCCC2)c1,DJHQBHJDNVLJDI-UHFFFAOYSA-N
rxn:5:188448:226662:225436,COC(=O)c1cc(-c2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])cc1-c1ccc(N2CCN(C)CC2)s1,XUYWDJOGMSHZQQ-UHFFFAOYSA-N
rxn:5:188461:227803:225924,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccnn2S(=O)(=O)N(C)C)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,QHHMYAPKVFPDBG-UHFFFAOYSA-N
rxn:5:188462:225930:227103,COC(=O)c1cc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c(-c2sccc2C2CCCCC2)cc1[N+](=O)[O-],STNJBPDIZFLVGU-UHFFFAOYSA-N
rxn:5:188462:226652:227390,COC(=O)c1cc(-c2cc(C)nn2C2CCCCO2)c(-c2ccnn2C2CCCCC2)cc1[N+](=O)[O-],XEYNVCQDNYQYSD-UHFFFAOYSA-N
rxn:5:188932:225440:226049,COC(=O)c1cc(-c2ccc(C3(C#N)CCCC3)cc2)c(S(N)(=O)=O)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1,FQNCKLGRTLEVKV-UHFFFAOYSA-N
rxn:5:189000:226062:225935,CC(C)Oc1cc(-c2cc(C(C)C)cc(C(C)C)c2)c(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1[N+](=O)[O-],ZUHMNMNTUMOARJ-UHFFFAOYSA-N
rxn:5:189079:223018:226030,CCN(C)C(=O)c1ccc(-c2cc(F)c(OC)c(C(F)(F)F)c2)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,DCFZBEUOTFSUQI-UHFFFAOYSA-N
rxn:5:189207:225450:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccc(S(=O)(=O)O)cc1,YJOMWTFOYUHEFP-UHFFFAOYSA-N
rxn:5:189207:225616:226739,CC(=O)c1ccc(-c2ccc(-c3ccccc3C(=O)N3CCCC3)cc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],MLGOSRCEVDHMSY-UHFFFAOYSA-N
rxn:5:189207:225616:228077,O=C1OCc2ccc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)cc3C(=O)ON3C(=O)CCC3=O)cc21,UAYVDWMJCPTPNA-UHFFFAOYSA-N
rxn:5:189207:225623:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(OC3CCOCC3)c2)ccc1-c1ccc(S(=O)(=O)O)cc1,GODIIJHHOXZKBI-UHFFFAOYSA-N
rxn:5:189207:225679:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCCC3)cc2F)ccc1-c1cccc2c1COC2=O,KJPGIIXAZDPNIO-UHFFFAOYSA-N
rxn:5:189207:225943:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCOCC3)s2)ccc1-c1cccc2c1COC2=O,KRLPKILHFRVGFZ-UHFFFAOYSA-N
rxn:5:189207:226084:227686,COc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C(=O)ON2C(=O)CCC2=O)cc1[N+](=O)[O-],VCDCQCIHFMJBCH-UHFFFAOYSA-N
rxn:5:189207:226186:228078,O=C1OCc2cc(-c3ccc(-c4ccccc4C4CCOCC4)cc3C(=O)ON3C(=O)CCC3=O)ccc21,VOEZMPFHSXVFAV-UHFFFAOYSA-N
rxn:5:189207:226187:228077,O=C1OCc2ccc(-c3ccc(-c4cccc(C5CCOCC5)c4)cc3C(=O)ON3C(=O)CCC3=O)cc21,RFIBWUSRLNNLPZ-UHFFFAOYSA-N
rxn:5:189207:226191:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(C3CCCC3)ccc2F)ccc1-c1cccc2c1COC2=O,SWDGRRBBXQYVCI-UHFFFAOYSA-N
rxn:5:189207:226411:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1ccc(C(=O)N2CCC2)cc1,MBLIQAMLNUBYEC-UHFFFAOYSA-N
rxn:5:189207:226411:228149,COC(=O)c1ccccc1-c1ccc(-c2ccc(N3CCOCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,HECZZEQAHGQKEH-UHFFFAOYSA-N
rxn:5:189207:226593:227788,CC(C)Oc1ccc(F)c(-c2ccc(-c3cc(C(F)(F)F)cnc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,MMEGGLDDRMCRTF-UHFFFAOYSA-N
rxn:5:189207:226686:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2c(C)cnn2C2CCCCO2)cc1C(=O)ON1C(=O)CCC1=O,NMCVPQSIWMNHTE-UHFFFAOYSA-N
rxn:5:189207:227126:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOC3)cc2)ccc1-c1ccc(C=C[N+](=O)[O-])cc1,YTKKZOJBDTVUON-UHFFFAOYSA-N
rxn:5:189207:227505:227381,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)ccc1-c1cnc(C2CCCC2)nc1,MNHWFLIHXSQQES-BUHFOSPRSA-N
rxn:5:189207:227679:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2C(=O)ON2C(=O)CCC2=O)c1,YVBQVISSGOHBSF-UHFFFAOYSA-N
rxn:5:189207:228066:226764,COC(=O)c1c(F)ccc(-c2ccc(-c3ccc4c(c3)OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,YMGABQDUBPFPGU-UHFFFAOYSA-N
rxn:5:189207:228071:226870,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(F)c(OC(F)(F)F)c1,MVSWXXIIJSAHBU-UHFFFAOYSA-N
rxn:5:189207:228149:225871,COC(=O)c1ccccc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(C(=O)ON2C(=O)CCC2=O)c1,ZUCMURFTODZAKI-UHFFFAOYSA-N
rxn:5:189207:228872:226411,COC(=O)c1sccc1-c1ccc(-c2ccc(N3CCOCC3)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,OIGHEGWPNLUZIJ-UHFFFAOYSA-N
rxn:5:189208:222993:229091,CC(=O)c1occc1-c1cc(-c2cccc(N3CCCCC3O)c2)ccc1C(=O)ON1C(=O)CCC1=O,SUWAJNCGQQDKHR-UHFFFAOYSA-N
rxn:5:189208:223389:226837,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,VWYJGIYERXCMND-UHFFFAOYSA-N
rxn:5:189208:225592:228681,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1-c1ccnn1CC1CC1,KGXOSRWEIOSDAD-UHFFFAOYSA-N
rxn:5:189208:225871:227656,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cc(N2CCOCC2)cs1,RHGMFLKMHAEMGO-UHFFFAOYSA-N
rxn:5:189208:226069:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCCCC3)c2)cc1-c1cccc2c1COC2=O,INBOTWRXOCGFPF-UHFFFAOYSA-N
rxn:5:189208:226187:228871,COC(=O)c1ccsc1-c1cc(-c2cccc(C3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,VAUSSAAWEIHQBH-UHFFFAOYSA-N
rxn:5:189208:226332:226969,O=C1CCCc2cc(-c3cc(-c4ccccc4C(=O)N4CCC4)ccc3C(=O)ON3C(=O)CCC3=O)ccc21,IJJOWBRRUNOWAN-UHFFFAOYSA-N
rxn:5:189208:226332:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccccc2C(=O)N2CCC2)ccc1C(=O)ON1C(=O)CCC1=O,RQBJQDOLMQECFK-UHFFFAOYSA-N
rxn:5:189208:226969:226186,O=C1CCCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C4CCOCC4)c3)ccc21,SFIGJBMYRBDVKD-UHFFFAOYSA-N
rxn:5:189208:227082:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccccc2N2CCCC2)ccc1C(=O)ON1C(=O)CCC1=O,VPLWVOHAKOCCFW-UHFFFAOYSA-N
rxn:5:189208:227091:226576,CN(C)C(=O)c1cc(-c2cc(-c3cncc(C4CCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)ccc1F,GCKLZRIAIGTRAO-UHFFFAOYSA-N
rxn:5:189208:227103:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCCC2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],YUNANYUCVTZOHX-UHFFFAOYSA-N
rxn:5:189208:227183:225583,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(C(=O)N5CCCC5)c4)c3)ccc2C1=O,GWUVRYPWJUMMAQ-UHFFFAOYSA-N
rxn:5:189208:227203:227664,Cc1cc(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)c1,VVXRCPGOEOGHDQ-UHFFFAOYSA-N
rxn:5:189208:227543:228002,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3sccc3C3CCCC3)c2)ccc1F,FGWIFYSZENLMFZ-UHFFFAOYSA-N
rxn:5:189208:227691:226186,COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCOCC3)c2)ccc1[N+](=O)[O-],NSYWEJPRPFHPTH-UHFFFAOYSA-N
rxn:5:189208:228016:226899,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C3CCCC3)cs2)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],VNQJZSPAHQEJLN-UHFFFAOYSA-N
rxn:5:189208:228079:226141,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1ccccc1OC1CCCC1,GGKQFBWIEGQEIU-UHFFFAOYSA-N
rxn:5:189208:228079:226601,CC(C)Oc1ccc(F)c(F)c1-c1cc(-c2cccc3c2COC3=O)ccc1C(=O)ON1C(=O)CCC1=O,QZFIBUPGHMXLGI-UHFFFAOYSA-N
rxn:5:189208:228151:226064,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C4CCCCC4)cc3)c2)c1,ORESIUOQLXMQBD-UHFFFAOYSA-N
rxn:5:189209:223427:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(-c2ccccc2/C=N/O)c1,LQLZTNXOWLBRLV-MUFRIFMGSA-N
rxn:5:189209:225684:228601,CC(=O)c1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3CCOCC3)nc2C)c1,HQPNZXQNMFGBPK-UHFFFAOYSA-N
rxn:5:189209:226084:226146,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2ccc3c(c2)C(=O)CCCC3)c1,XTEZYZAFCFJMGN-UHFFFAOYSA-N
rxn:5:189209:226185:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,PFXRNBKFEKILCN-UHFFFAOYSA-N
rxn:5:189209:226413:225702,COC(=O)n1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(N4CCOCC4)c3)c2)cc2ccccc21,KMIUJHTWHOGMFE-UHFFFAOYSA-N
rxn:5:189209:226413:226966,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3)c2)cc(-c2ccc3c(c2)C(=O)CCC3)c1,BAPWBJXNNMDMPL-UHFFFAOYSA-N
rxn:5:189209:226415:227081,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCCC3)cc2)cc(-c2ccccc2N2CCOCC2)c1,CGLTUNSFROYDGU-UHFFFAOYSA-N
rxn:5:189209:226966:227205,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)CCC3)cc(-c2cccc3c2OCCCO3)c1,KUDPYYFJCAWBDC-UHFFFAOYSA-N
rxn:5:189209:227205:227546,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc4c3OCCCO4)c2)c1F,GGKCBJOFPINNAF-UHFFFAOYSA-N
rxn:5:189209:227501:227505,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1,URASWNFVQDXMJK-AOGCGKDYSA-N
rxn:5:189209:228066:226739,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)OCCO4)c2)cc1[N+](=O)[O-],AFFJCRDAMZIMNL-UHFFFAOYSA-N
rxn:5:189209:228079:226864,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(OC(F)F)c(F)c2)cc(-c2cccc3c2COC3=O)c1,GZNXVPRVWPQUEW-UHFFFAOYSA-N
rxn:5:189210:225407:228174,CC(=O)Oc1ccc(-c2cccc(-c3ccc(C4CCCCCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1,JQDMOZFTPQFSDP-UHFFFAOYSA-N
rxn:5:189210:225616:227870,O=C1CCc2ccc(-c3cccc(-c4ccccc4C(=O)N4CCCC4)c3C(=O)ON3C(=O)CCC3=O)cc21,GQLWZEXNPPLGFU-UHFFFAOYSA-N
rxn:5:189210:225943:223428,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(/C=N\O)cc2)cccc1-c1ccc(C(=O)N2CCOCC2)s1,BTHBUMNHTHHWNO-NTFVMDSBSA-N
rxn:5:189210:226084:227048,CC(C)C(=O)c1ccc(-c2cccc(-c3ccc4c(c3)C(=O)CCCC4)c2C(=O)ON2C(=O)CCC2=O)cc1,DZNHJPAYWSDRIP-UHFFFAOYSA-N
rxn:5:189210:226332:227446,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3OCCO3)cc2)cccc1-c1ccccc1C(=O)N1CCC1,JPIAQRTVQBGCRW-UHFFFAOYSA-N
rxn:5:189210:226413:225871,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3CCOCC3)c2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,AFROABXUDJIOMC-UHFFFAOYSA-N
rxn:5:189210:226415:225871,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccccc1N1CCOCC1,IMXHRYFFVRYNBT-UHFFFAOYSA-N
rxn:5:189210:226652:228871,COC(=O)c1ccsc1-c1cccc(-c2cc(C)nn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,VKZGKHLFFKPTCA-UHFFFAOYSA-N
rxn:5:189210:227119:227183,CN1Cc2cc(-c3cccc(-c4cc(C5CCCCC5)cs4)c3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,VUGFURUCSZTTNT-UHFFFAOYSA-N
rxn:5:189210:228196:227403,Cc1ncnc(C2CC2)c1-c1cccc(-c2ccc(N3CCCCC3)s2)c1C(=O)ON1C(=O)CCC1=O,CZZMSEWBHCNGPZ-UHFFFAOYSA-N
rxn:5:189211:225450:228079,O=C1OCc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(C(=O)C2CCCC2)cc1,IAPRJJGOBJWLJC-UHFFFAOYSA-N
rxn:5:189211:225584:228078,O=C1OCc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(C(=O)N4CCCC4)cc3)ccc21,JUSYRKLZGNWADT-UHFFFAOYSA-N
rxn:5:189211:225616:228229,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccn(C2CC2)c(=O)c1,VEMJNYOOKSHMMJ-UHFFFAOYSA-N
rxn:5:189211:225871:227870,O=C1CCc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(N4C(=O)C=CC4=O)c3)cc21,CEZVUPSDKDLAOL-UHFFFAOYSA-N
rxn:5:189211:225873:228870,COC(=O)c1csc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3CCOCC3=O)c2)c1,KZEFDTKEPAANLC-UHFFFAOYSA-N
rxn:5:189211:226155:227829,CC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccccc2C2CCC2)cc(C2CC2)c1,OUKLKSDWLBJMDH-UHFFFAOYSA-N
rxn:5:189211:226185:227528,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCOCC3)cc2)cc1F,WLMSTBOSPDYUKO-UHFFFAOYSA-N
rxn:5:189211:226413:228484,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3CCOCC3)c2)c1-c1ccc([N+](=O)[O-])c(F)c1,OZPYJEZPWYZOJW-UHFFFAOYSA-N
rxn:5:189211:226415:227657,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1ccc(N2CCOCC2)s1,CSHUEMYSINLOCI-UHFFFAOYSA-N
rxn:5:189211:226579:226062,CC(C)c1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(F)cc(C(=O)N(C)C)c2)cc(C(C)C)c1,ZYJUVHHVYAQGIP-UHFFFAOYSA-N
rxn:5:189211:226966:226738,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)C(=O)CCC3)c([N+](=O)[O-])c1,NZPILCBBBFYIQA-UHFFFAOYSA-N
rxn:5:189211:226980:228340,COc1nc(C2CC2)sc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc2c1C(=O)CCC2,WTSMAIYLSQIRCR-UHFFFAOYSA-N
rxn:5:189211:227764:227207,O=C1CCOc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cc(F)c(C(F)F)c(F)c1,OTZIVCBGGQRZES-UHFFFAOYSA-N
rxn:5:189211:227875:225871,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2CCCO3)c1-c1cccc(N2C(=O)C=CC2=O)c1,ZJWAXTVYBUCGQE-UHFFFAOYSA-N
rxn:5:189211:228078:226469,CN1C(=O)COc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)COC4=O)cc21,WBNYAVKIWHVCOB-UHFFFAOYSA-N
rxn:5:189211:228345:226151,COC(=O)c1sc(C)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cc(C)c(C)cc1OC(C)C,PLNUKMGJSLNQDF-UHFFFAOYSA-N
rxn:5:189211:228473:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc([N+](=O)[O-])ccc2F)c1-c1ccc(N2CCOCC2)cc1,VFKCPSDHBWKDLH-UHFFFAOYSA-N
rxn:5:189211:228498:223389,Cc1n[nH]c(C(F)(F)F)c1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cn(C)nc1C(F)(F)F,UCAAEYXLLXRPRG-UHFFFAOYSA-N
rxn:5:189211:228603:225407,CC(=O)c1cccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCCCCC3)cc2)c1,GAQKTHPXUNUPIE-UHFFFAOYSA-N
rxn:5:189211:229089:225616,CC(=O)c1sccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccccc1C(=O)N1CCCC1,SSYQPFNUEHZIJL-UHFFFAOYSA-N
rxn:5:189212:225407:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2ccc(C3CCCCCC3)cc2)c1,LXTNAJSOWNRCPV-UHFFFAOYSA-N
rxn:5:189212:225868:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCOCC2)c(F)c1,LABFCYIWGOWFLG-UHFFFAOYSA-N
rxn:5:189212:225871:223144,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCC(O)C3)cc2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,CICANWKEASJUGP-UHFFFAOYSA-N
rxn:5:189212:225871:228529,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)CCO3)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,GELLPFLTWJYEFX-UHFFFAOYSA-N
rxn:5:189212:225873:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc(N3CCOCC3=O)c2)c1,LRTMJRXFUXOCMN-UHFFFAOYSA-N
rxn:5:189212:226069:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cccc(C3CCCCC3)c2)c1,SGDIAAHJKYALRB-UHFFFAOYSA-N
rxn:5:189212:226185:225985,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(C3CCOCC3)cc2)c1,HEHBKZUTFCVXGD-UHFFFAOYSA-N
rxn:5:189212:226191:228872,COC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(C2CCCC2)ccc1F,YMIIBXPUJWOVCD-UHFFFAOYSA-N
rxn:5:189212:226319:227918,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CC3)cc2)c(-c2ccc(C(=O)N3CCC3)cc2)c1,YPISSDKLGTZUDN-UHFFFAOYSA-N
rxn:5:189212:226333:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCO3)cc2)c(-c2cccc(C(=O)N3CCC3)c2)c1,FTQXKAGIMPPCCA-UHFFFAOYSA-N
rxn:5:189212:226738:226084,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)C(=O)CCCC3)c([N+](=O)[O-])c1,LWZVKVDONBQZFL-UHFFFAOYSA-N
rxn:5:189212:226966:227207,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCC3=O)c(-c2ccc3c(c2)C(=O)CCC3)c1,HFAWJLKWRQWUDK-UHFFFAOYSA-N
rxn:5:189212:226980:227066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2cccc3c2C(=O)CCC3)c1,BFHHZWVUAOKYOQ-UHFFFAOYSA-N
rxn:5:189212:227205:226738,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)c([N+](=O)[O-])c1,KJKIXRCJUMWKEO-UHFFFAOYSA-N
rxn:5:189212:227207:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2cccc3c2OCCC3=O)c1,WICVXAPMAIPDMR-UHFFFAOYSA-N
rxn:5:189212:227446:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(C3OCCO3)cc2)c1,OTIAHEVNFLYABV-UHFFFAOYSA-N
rxn:5:189212:227679:227802,O=C(ON1C(=O)CCC1=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2ccc3c(c2)OC(F)(F)O3)c1,QJYJRUUUXPSSGU-UHFFFAOYSA-N
rxn:5:189212:227692:226915,COc1c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCCC3)cc2)cccc1[N+](=O)[O-],JVINYLCUHJBIRW-UHFFFAOYSA-N
rxn:5:189212:227936:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)c(-c2cccc(SC3CC3)c2)c1,YWSYALTZMVAQOF-UHFFFAOYSA-N
rxn:5:189212:228243:226084,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)C(=O)CCCC3)c1F,AYFFYWIVRKBLBC-UHFFFAOYSA-N
rxn:5:189212:228340:226084,COc1nc(C2CC2)sc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc2c(c1)C(=O)CCCC2,BUWBCUSZIHQYQT-UHFFFAOYSA-N
rxn:5:189212:228529:225943,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)s2)c(-c2ccc3c(c2)CCO3)c1,CPDJLPOFUVXTFR-UHFFFAOYSA-N
rxn:5:189323:225849:225831,Cc1cc(-c2cc(C(=O)OC(C)(C)C)c(-c3cnc(N4CCCCC4)cc3F)cn2)cnc1N1CCOCC1,WRBCAKDMHTYGIV-UHFFFAOYSA-N
rxn:5:189449:223202:225810,COc1ccc(-c2ccc(-c3ccc(C4(O)CCC4)cc3)c(C(=O)N3CC(OC)C3)c2)c(C2OCCO2)c1,IPSZWBHEOOBDCA-UHFFFAOYSA-N
rxn:5:189540:226747:222998,CCc1ncc(-c2ccc(-c3cc(F)cc(C4CCCNC4)c3)c(CN3CC(OC)C3)c2)cc1C(F)(F)F,SVXHIVDBOBFDLZ-UHFFFAOYSA-N
rxn:5:189664:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1CC(=O)N1CCCC1,RVQIKAQHOQKDQA-UHFFFAOYSA-N
rxn:5:189666:226900:226900,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,RPZYJQCIWXHDMJ-ZHLTVCKFSA-N
rxn:5:189671:226837:228501,Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(-c2cnn(C)c2C(F)(F)F)c1/C=N/S(=O)C(C)(C)C,HGIREZPWAQMPRT-QFDQHJFZSA-N
rxn:5:189672:223148:226783,COc1cc(F)c(F)c(OC)c1-c1c(/C=N/S(=O)C(C)(C)C)cccc1-c1ccccc1C1CNCCO1,OIWKWDPAKPFAQP-MHDJOFBISA-N
rxn:5:189672:225982:226464,COc1ccc2c(c1-c1c(/C=N/S(=O)C(C)(C)C)cccc1-c1cnc(N3CCOCC3)cc1F)OCCO2,YOYHRIMPFWPYCA-VTNSRFBWSA-N
rxn:5:189826:223054:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)N4CCC(O)C4)s3)c2)c(F)c(C(F)(F)F)c1,GBQSKYQUWGOJCB-UHFFFAOYSA-N
rxn:5:189827:227987:225806,COc1c(C)ccc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cnc(OC3CCCC3)cc2F)c1C,MIGBKISTBCIIEI-UHFFFAOYSA-N
rxn:5:189829:228278:226027,COc1cc(C)c(F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1OC,FURMENVORATMHZ-UHFFFAOYSA-N
rxn:5:189908:226422:226599,CCOc1c(F)cc(-c2ncc(-c3cc(F)ccc3N3CCCC3)cc2OCC2CCCCC2)c(C)c1F,DVMJLRDCODBCLC-UHFFFAOYSA-N
rxn:5:189952:223061:228653,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnn2c1CCCC2,QKUJQQGWSBDENH-UHFFFAOYSA-N
rxn:5:189952:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,OUONOJKQUJDVPP-UHFFFAOYSA-N
rxn:5:189952:225833:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,YAVNSEGHYSGVOX-UHFFFAOYSA-N
rxn:5:189952:226052:228231,COc1c(-c2ccc(N(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1c(F)ccc(OC(F)(F)F)c1F,ROLBNHCMEMULHZ-UHFFFAOYSA-N
rxn:5:189952:226366:226679,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,UZWWLCZNYYIJFX-UHFFFAOYSA-N
rxn:5:189952:226395:223141,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCCCC2)c1,QNFDRLGTNNROCM-UHFFFAOYSA-N
rxn:5:189952:226395:225849,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCCC2)cc1F,NXIVIFMUFVZXDH-UHFFFAOYSA-N
rxn:5:189952:228703:226679,COc1c(-c2cnn(C3CCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,AXDNMWWNXDWPQS-UHFFFAOYSA-N
rxn:5:190001:225946:227203,CC(=O)c1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc3c(c2)OCCCO3)cc(C(F)(F)F)c1,RMJAZWXRZDXZIM-UHFFFAOYSA-N
rxn:5:190001:226740:227206,Cc1c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(C(F)(F)F)c2C#N)ccc2c1COC2=O,FJAUQRVHFVCMOQ-UHFFFAOYSA-N
rxn:5:190001:227205:225946,CC(=O)c1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc3c2OCCCO3)cc(C(F)(F)F)c1,DRHIPIOKTXYUER-UHFFFAOYSA-N
rxn:5:190127:225470:227982,COc1cc(C)cc(-c2ccc(-c3ccc(N4CCC(C)CC4)cc3)cc2C(=O)N2CCC(OC)CC2)c1C,OEHRDEAGWVRLIF-UHFFFAOYSA-N
rxn:5:190127:226583:222417,COC1CCN(C(=O)c2cc(-c3ccc(CN4CCOCC4)s3)ccc2-c2cnc(=O)[nH]c2C(C)C)CC1,STSBEBYGOZUMCP-UHFFFAOYSA-N
rxn:5:190128:225622:228366,COC1CCN(C(=O)c2ccc(-c3ccccc3OC3CCCCO3)c(-c3cnc(N(C)C)c(F)c3)c2)CC1,NWZZNRTWSIDRAF-UHFFFAOYSA-N
rxn:5:190128:225937:227076,CCC(C)c1ccc(F)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cc(C(F)(F)F)ncc2C(C)C)c1,IPDZAUFQIHGWJL-UHFFFAOYSA-N
rxn:5:190128:226338:228172,CCOc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccnc(OC3CCCC3)c2)c1F,MWEAVVBDZCIRKE-UHFFFAOYSA-N
rxn:5:190128:228148:226146,COc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC3CCCC3)cc2)c1OC,MOXNGGLKVHQOMG-UHFFFAOYSA-N
rxn:5:190131:228102:225810,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cncnc3CC(C)C)c2OC)c(C2OCCO2)c1,KTZAXTQDEQYWKX-UHFFFAOYSA-N
rxn:5:190132:227364:223281,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(C4(O)COC4)nc3)c2)c(OC)c1C,PKDMECUFGXSBSI-UHFFFAOYSA-N
rxn:5:190177:226901:226895,O=C1CC(Sc2ccc(-c3cc(F)c(C(F)(F)F)cc3F)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,SPIVYMMIZFZJDY-UHFFFAOYSA-N
rxn:5:190177:228871:223054,COC(=O)c1ccsc1-c1ccc(N2C(=O)CC(Sc3ccc(-c4ccc(C(C)N5CCC(O)C5)s4)cc3)C2=O)cc1,CKKWDBXGTPVHHF-UHFFFAOYSA-N
rxn:5:190194:223014:225603,COC(=O)c1cccc2[nH]c(-c3cccc(CN4CCC(OC)CC4)c3-c3cccc(C4(C#N)CCC4)c3F)cc12,NAJCXHOHMRVDMM-UHFFFAOYSA-N
rxn:5:190194:223202:225515,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCC4)cc3)c2-c2cccc3c2OCC(C)(C)CO3)CC1,XILMTWGDSBWPIG-UHFFFAOYSA-N
rxn:5:190194:226150:225881,COC1CCN(Cc2cccc(-c3cccc(SC4CCCC4)c3)c2-c2ccc(C3CCOCC3)nc2F)CC1,NZYDXCZUVJHOCZ-UHFFFAOYSA-N
rxn:5:190194:227205:223010,COC1CCN(Cc2cccc(-c3cccc4c3OCCCO4)c2-c2ccc(C3(O)CCOCC3)cc2)CC1,ZBUICEOMKFMFCL-UHFFFAOYSA-N
rxn:5:190195:223113:227316,CC(C)Cc1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(F)n1,DPCSGTGDTKJLKF-UHFFFAOYSA-N
rxn:5:190195:227766:223002,CCn1nc(C(F)(F)F)cc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(C2CCNCC2)cc1F,BKYAZKCRIYQGOH-UHFFFAOYSA-N
rxn:5:190196:223113:225598,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cccc(CN2CCSCC2)c1)C1CCOCC1,IXCIWPUGVSYPRB-UHFFFAOYSA-N
rxn:5:190196:223113:225784,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(CN2CCOCC2)nc1)C1CCOCC1,VUDZBLUMFOHSCV-UHFFFAOYSA-N
rxn:5:190196:225784:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DVEOVQHLTROSBY-UHFFFAOYSA-N
rxn:5:190197:223113:225978,CN(Cc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,JVUFWLLADGWVQL-UHFFFAOYSA-N
rxn:5:190197:223113:226571,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,YFQIDIFYIGBDLG-UHFFFAOYSA-N
rxn:5:190197:225976:226395,CN(Cc1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F)C1CCOCC1,LSHGTSZMWUHDAG-UHFFFAOYSA-N
rxn:5:190197:228131:226330,CC(c1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)cc(CC#N)c3)c2)s1)N1CCCC1,WEYZXJMANAFRPY-UHFFFAOYSA-N
rxn:5:190199:223113:223056,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DQFCSXXIYBMKEE-UHFFFAOYSA-N
rxn:5:190199:223113:226364,CN(Cc1cc(-c2ccc(N3CCCCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,AYYIRLGAYUWVRB-UHFFFAOYSA-N
rxn:5:190199:225499:226754,CCOc1c(F)cc(F)c(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(CN(C)C3CCOCC3)c2)c1F,BNWQDIGNWNEPRH-UHFFFAOYSA-N
rxn:5:190200:222417:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cnc(=O)[nH]c2C(C)C)c1,KRUOUQTUOGNRLI-UHFFFAOYSA-N
rxn:5:190200:226663:225451,CN(Cc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(N3CCSCC3)nc2)c1)C1CCOCC1,JTQJPOIHVDSNOO-UHFFFAOYSA-N
rxn:5:190200:227700:227766,CCn1nc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(OC)ccc2[N+](=O)[O-])c1,JMVZAJXRDYTANM-UHFFFAOYSA-N
rxn:5:190231:225820:227907,CCC(C)c1cncc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3c(C4CC4)cccc3C(F)(F)F)c2OC)c1,MRJMBXYWJLRLDG-UHFFFAOYSA-N
rxn:5:190231:227449:228497,COc1c(-c2ccc(C3CCOCC3)s2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1CC(F)(F)F,AJLSHPQPYHLMMN-UHFFFAOYSA-N
rxn:5:190264:228392:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc(C(F)(F)F)cc3)c2)CC1,CKJMISNHQWTMJJ-UHFFFAOYSA-N
rxn:5:190264:228434:226900,CC1CCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3ccc(C(F)F)c(F)c3)c2)CC1,LCQXDIXNAFYAEB-UHFFFAOYSA-N
rxn:5:190265:226900:228434,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(F)F)c(F)c3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,VBJMNIWUGBOERX-UHFFFAOYSA-N
rxn:5:190265:226901:226919,CC1CCCN(C(=O)Cc2ccc(-c3cccc(C4CCCC4)c3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,SVMMJBURXDZTCK-UHFFFAOYSA-N
rxn:5:190265:227766:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cc(C(F)(F)F)nn1CC,YRYARJMBXFSCIE-UHFFFAOYSA-N
rxn:5:190299:222409:228480,COc1ccc(-c2ccc(OC)c(S(N)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3cc(F)ccc3[N+](=O)[O-])cc2)C1=O,AWPLPQJIBCBZLM-UHFFFAOYSA-N
rxn:5:190299:222409:228488,COc1ccc(-c2ccc(OC)c(S(N)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(F)cc3[N+](=O)[O-])cc2)C1=O,YCGKVKWMKGZFJW-UHFFFAOYSA-N
rxn:5:190299:226899:228307,COc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccnc(N(C)OC)c3)cc2)C1=O,YRSVLMUFJWQSCD-UHFFFAOYSA-N
rxn:5:190336:225417:225607,CCOc1ccc2ccccc2c1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(C(C)N3CCCCC3)s2)c1OC,AXBHSCSWUWSBSI-UHFFFAOYSA-N
rxn:5:190336:226837:228704,CCn1nc(C)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3c(C)nn(CC(F)(F)F)c3C)c2OC)c1C,GIHHOKSGIFPUPP-UHFFFAOYSA-N
rxn:5:190337:225810:227901,COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(CC(C)C)nc3)c2OC)c(C2OCCO2)c1,QWRUXYRORUSFMG-UHFFFAOYSA-N
rxn:5:190337:226736:228830,COc1c(-c2ccc(C(F)(F)F)cc2C#N)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(F)c(C)c1F,IEEBPMGKKLLXDT-UHFFFAOYSA-N
rxn:5:190337:227203:225834,COc1c(-c2ccc3c(c2)OCCCO3)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(N2CCCCC2)ncc1F,JLQGXNBKXFACAZ-UHFFFAOYSA-N
rxn:5:190404:225470:223353,CC(=O)Nc1cccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4ccc(N5CCC(C)CC5)cc4)o3)CCS2)c1,LZTJLKALTDNWGX-UHFFFAOYSA-N
rxn:5:190404:225666:223189,CS(=O)(=O)Nc1ccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cc(F)cc(N5CCCCC5)c4)o3)CCS2)c(F)c1,MMJFBQZCZHVPOC-UHFFFAOYSA-N
rxn:5:190421:226040:223295,Cc1c(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6cncc(NS(C)(=O)=O)c6)c5)C4=O)o3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],QBXGOGHGUVVSNB-UHFFFAOYSA-N
rxn:5:190459:225593:223230,CC(=O)Nc1ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cc(F)cc(CN4CCCC4)c3)CCS2)c(C)c1,OSASMDQHYCKWCW-UHFFFAOYSA-N
rxn:5:190459:226920:227684,Cc1ccc(C(C)(C)C)cc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2cnn(CC3OCCO3)c2)CC1,QXOKLLQYYWYGMZ-UHFFFAOYSA-N
rxn:5:190484:226739:228079,CC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc5c4COC5=O)S(=O)(=O)CC3)c2)cc1[N+](=O)[O-],JUOZEJWXDMAEAZ-UHFFFAOYSA-N
rxn:5:190484:227298:228420,CSc1c(F)cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cc(F)ccc4CN(C)C)c3)CCS2(=O)=O)cc1F,CRGLIOGUNOEWEU-UHFFFAOYSA-N
rxn:5:190484:227764:228066,O=C(c1cccc(-c2cc(F)c(C(F)F)c(F)c2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)OCCO3)S(=O)(=O)CC1,XBFFXAYKKPZFEC-UHFFFAOYSA-N
rxn:5:190484:227799:227205,O=C(c1cccc(-c2cnc(C(F)(F)F)c(F)c2)c1)N1CCC(c2ccccc2-c2cccc3c2OCCCO3)S(=O)(=O)CC1,BWHJIGYXNPFOEA-UHFFFAOYSA-N
rxn:5:190681:225581:226151,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cc(C)c(C)cc3OC(C)C)c(-c3ccc(CN4CCOCC4)cc3)cc12,ZCRODTQQBGOLIS-UHFFFAOYSA-N
rxn:5:190740:223061:225881,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C2CCOCC2)nc1F,OXYPWMSLHATNSM-UHFFFAOYSA-N
rxn:5:190740:225655:225834,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1cc(N2CCCCC2)ncc1F,QANQZGKLKJYBAJ-UHFFFAOYSA-N
rxn:5:190740:225849:225849,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,OAEAJXAKILJVIX-UHFFFAOYSA-N
rxn:5:190741:223056:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,RIEGEMIFVCGHCE-UHFFFAOYSA-N
rxn:5:190741:225849:225633,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,PKJATSQAJXDOKP-UHFFFAOYSA-N
rxn:5:190742:223006:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1cc(C2CCNCC2)ncc1F,MXTPTGPXPXYBAF-UHFFFAOYSA-N
rxn:5:190742:223061:225633,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCCCCC2)nc1,HINPVTGZBVWHPC-UHFFFAOYSA-N
rxn:5:190742:223062:225590,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCCC2)c(F)c1,VLAHKXQARRHIOP-UHFFFAOYSA-N
rxn:5:190742:223065:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(OC2CCOCC2)c1,DRQDYUBXRXOVFY-UHFFFAOYSA-N
rxn:5:190742:225590:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,AIGOHYPSGJNCKV-UHFFFAOYSA-N
rxn:5:190742:225590:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccnc(OC2CCOCC2)c1,QCHNSVOSDQVUBM-UHFFFAOYSA-N
rxn:5:190742:225803:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,VZHNBFHYXQLNQI-UHFFFAOYSA-N
rxn:5:190742:225834:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,RDEJLFJFHNNPNK-UHFFFAOYSA-N
rxn:5:190742:225849:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(N2CCCCC2)ncc1F,DTGFOUZOTFHDFY-UHFFFAOYSA-N
rxn:5:190742:225849:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,JYMXVCLCGDBKDU-UHFFFAOYSA-N
rxn:5:190742:225976:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)nc1,UQVOJNZNKXBIHK-UHFFFAOYSA-N
rxn:5:190744:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XWFWKXNRXHIUAI-UHFFFAOYSA-N
rxn:5:190744:223061:225834,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,GVKRPXNMVMZVST-UHFFFAOYSA-N
rxn:5:190744:223062:225849,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,YTVYHBUVBYFECP-UHFFFAOYSA-N
rxn:5:190832:225833:223061,CCOC(=O)c1cnc2cc(C)c(-c3ccnc(N4CCCCC4)c3F)c(C)c2c1-c1cc(C2CCNCC2)ncc1F,KVBBOTMOUJKDOZ-UHFFFAOYSA-N
rxn:5:190859:223389:228502,Cc1n[nH]c(C(F)(F)F)c1-c1ccc2c(c1-c1nn(C)cc1C(F)(F)F)CCN2C(=O)OC(C)(C)C,KRZCGWOUEBBNOI-UHFFFAOYSA-N
rxn:5:190993:227316:226571,CC(C)Cc1cc(-c2ccc3c(c2)CN(CCc2ccc(-c4cnn(CC5CCOCC5)c4)cc2)C(=O)CO3)cc(F)n1,IJUVEZAJXGWSOX-UHFFFAOYSA-N
rxn:5:190997:225632:225666,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(F)cc(N4CCCCC4)c3)c3cccnc23)c(C)cc1-c1cccc(N2CCN(C)CC2)c1,RUIXZRLHJYUPRX-UHFFFAOYSA-N
rxn:5:190998:225982:227960,COC(=O)c1cc(-c2ccncc2C2CCC2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,BWZXNPBXVRESQD-UHFFFAOYSA-N
rxn:5:190998:226449:227989,CC#Cc1ccc(F)c(-c2ccc(N3Cc4cc(-c5ccccc5C5(C)OCCO5)ccc4OCC3=O)c(C(=O)OC)c2)c1,WXZRRUZFSZSWKP-UHFFFAOYSA-N
rxn:5:190998:227546:226826,COC(=O)c1cc(-c2cc(C)cc(C(F)(F)F)c2F)ccc1N1Cc2cc(-c3cccc(C(=O)OC)c3F)ccc2OCC1=O,IIBSMOMZNWBAHO-UHFFFAOYSA-N
rxn:5:190998:228653:226679,COC(=O)c1cc(-c2cnc(N3CCCC3)cc2F)ccc1N1Cc2cc(-c3cnn4c3CCCC4)ccc2OCC1=O,VSVDVJFZJUNELB-UHFFFAOYSA-N
rxn:5:191026:226662:227055,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(OC)c(C4CC4)c3)c2)c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2S1(=O)=O,GCBLQAPGWHIGJO-UHFFFAOYSA-N
rxn:5:191026:226876:226783,COC(=O)C1=CN(c2ccc(C)c(-c3c(OC)cc(F)c(F)c3OC)c2)c2cc(-c3ccc(F)cc3OC(F)(F)F)ccc2S1(=O)=O,ZTXFALOVBHVRKX-UHFFFAOYSA-N
rxn:5:191026:228375:222405,COC(=O)C1=CN(c2ccc(C)c(-c3cccc(C4NC(=O)NC4=O)c3)c2)c2cc(-c3c(F)ccc(C#N)c3F)ccc2S1(=O)=O,PASHFMBOLDDXDY-UHFFFAOYSA-N
rxn:5:191049:223065:228653,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnn2c1CCCC2,VHQXAUPFXXOOKP-UHFFFAOYSA-N
rxn:5:191049:225849:225849,COc1cc(N2Cc3cc(-c4cnc(N5CCCCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,ULIIFNUTGCEMEG-UHFFFAOYSA-N
rxn:5:191049:225982:223056,COc1cc(N2Cc3cc(-c4cnc(N5CCOCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCC(O)CC2)nc1,ISZRNWDMDKCHCF-UHFFFAOYSA-N
rxn:5:192882:226661:225592,CN1CCN(c2csc(-c3cnc(OC4CCCC4)c(-c4cc(F)ccc4CN4CCCC4)c3)c2)CC1,LKXYSUDUAHMPDS-UHFFFAOYSA-N
rxn:5:193225:225873:225602,N#CC1(c2ccc(F)c(-c3ccc(-c4cccc(N5CCOCC5=O)c4)cc3C(=O)N3CCOCC3)c2)CCC1,ARLYUWUBLDCSKW-UHFFFAOYSA-N
rxn:5:193226:223061:223006,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,JIXOIPQSAUQORD-UHFFFAOYSA-N
rxn:5:193226:223141:226148,C[Si](C)(C)C#Cc1cccc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cncc(C3CCNCC3)c2)c1,KZTJINXWNRCKIE-UHFFFAOYSA-N
rxn:5:193226:225834:227387,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccnc(N3CCCC3)c2)c1)N1CCOCC1,KIEDYQFPGRLPGW-UHFFFAOYSA-N
rxn:5:193226:225980:225976,O=C(c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,IFHOTBICOBBTDN-UHFFFAOYSA-N
rxn:5:193226:226366:225982,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cnc(N3CCOCC3)cc2F)c1)N1CCOCC1,RIRBMZNLYCPVEK-UHFFFAOYSA-N
rxn:5:193226:226583:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2ccc(CN3CCOCC3)s2)cc(F)n1,OEIACEJHDAUODK-UHFFFAOYSA-N
rxn:5:193226:227279:226145,CC(C)n1nc(C2CC2)cc1-c1ccc(C(=O)N2CCOCC2)cc1-c1ccc(OC2CCCC2)cc1,JEVMAIYVBFXZGR-UHFFFAOYSA-N
rxn:5:193227:223006:223062,O=C(c1cc(-c2ccc(F)c(C3CCNCC3)c2)cc(-c2cnc(C3CCNCC3)cc2F)c1)N1CCOCC1,OPLOQRLNURYQJU-UHFFFAOYSA-N
rxn:5:193229:226664:225833,O=C(c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,NYHVMZVDDMDMPB-UHFFFAOYSA-N
rxn:5:193229:227349:225814,COc1cc(C)cc(-c2cccc(C(=O)N3CCOCC3)c2-c2cccc(C3(C(F)(F)F)CC3)c2)c1OC,DHNCCNAURNCOQF-UHFFFAOYSA-N
rxn:5:193230:225833:227387,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccnc(N2CCCC2)c1)N1CCOCC1,RJSYLPFTXVTWHF-UHFFFAOYSA-N
rxn:5:193230:226664:226366,O=C(c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,QGTWMZOJLKJYMD-UHFFFAOYSA-N
rxn:5:193329:226598:225622,CC(C)Oc1cc(-c2ccnc(OC3CCCCC3)c2-c2ccccc2OC2CCCCO2)c(F)cc1F,JIIHXWNMNATGPL-UHFFFAOYSA-N
rxn:5:193333:223007:226049,Fc1cc(-c2ccc(CN3CCOCC3)cc2-c2cc(F)c(OC(F)(F)F)c(F)c2)cc(C2CCNCC2)c1,ORWQGZKKUUXGAK-UHFFFAOYSA-N
rxn:5:193334:225926:226731,CN(C)S(=O)(=O)c1ccccc1-c1cccc(CN2CCOCC2)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,NHTWULSQCXBYKV-UHFFFAOYSA-N
rxn:5:193336:223113:225655,CC1CCN(c2cncc(-c3c(CN4CCOCC4)cccc3-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1,ZMNQOUGRUHTKIU-UHFFFAOYSA-N
rxn:5:193338:225515:226758,COc1ccc(-c2cc(CN3CCOCC3)cc(-c3cccc4c3OCC(C)(C)CO4)c2)cc1C(F)(F)F,QDEUSTONAPGAEH-UHFFFAOYSA-N
rxn:5:193382:225987:227501,O=[N+]([O-])C=Cc1ccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)ccc2S(=O)(=O)N2CCOCC2)cc1,FSDCGGPEWIIFEO-UHFFFAOYSA-N
rxn:5:193382:226366:225833,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1ccnc(N2CCCCC2)c1F)N1CCOCC1,YZTSZOWJCDVALS-UHFFFAOYSA-N
rxn:5:193382:227349:225661,COc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCOCC4)cc3C)c2)c1OC,WLTGDOGBAYQPAQ-UHFFFAOYSA-N
rxn:5:193461:223054:228490,CC(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3cccc(S(=O)(=O)F)c3)c2)s1)N1CCC(O)C1,KTNMLBZARYDVKF-UHFFFAOYSA-N
rxn:5:193461:225832:222413,Cc1cc(S(N)(=O)=O)ccc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1C(=O)N1CCCCC1,XNYQCBTWRLSCKV-UHFFFAOYSA-N
rxn:5:193462:223389:226837,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c(CN2CCC(=O)CC2)c1,RDHAGQPSODHUEU-UHFFFAOYSA-N
rxn:5:193465:225946:227679,CC(=O)c1cc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2ccc3c(c2)OC(F)(F)O3)cc(C(F)(F)F)c1,HJWSHYKMTZDURU-HNNXBMFYSA-N
rxn:5:193465:225986:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O,BBVOXPXNRUBWQV-IBGZPJMESA-N
rxn:5:193465:226041:227207,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2OCCC3=O)c1-c1c([N+](=O)[O-])cccc1C(F)(F)F,LOWVVBHWIOGERD-INIZCTEOSA-N
rxn:5:193465:226042:226185,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCOCC3)cc2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MVMIEMSGYLBFGK-IBGZPJMESA-N
rxn:5:193465:226774:226844,C[C@H]1CCCN1C(=O)c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1-c1ccc(OC(F)=C(F)F)cc1,IYVSXWSIUYYAAP-HNNXBMFYSA-N
rxn:5:193465:226969:225616,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccc2c(c1)CCCC2=O,OXQZWNSTNDAAOF-QFIPXVFZSA-N
rxn:5:193465:227552:225985,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccccc1CC(F)(F)F,WUNPYLMXHXAWGU-FQEVSTJZSA-N
rxn:5:193466:226046:227505,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1ccnc(C(F)(F)C(F)(F)F)c1,OTRBTQLUFVYDPL-GWKQRERASA-N
rxn:5:193466:226068:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC[C@H]2C)c(-c2c(C)cc(C(C)(C)C)cc2C)c1,HONAWGLQJGXICS-HXUWFJFHSA-N
rxn:5:193467:226049:226469,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1-c1cc(F)c(OC(F)(F)F)c(F)c1,TYEFDQASXZPBFA-HNNXBMFYSA-N
rxn:5:193467:226826:226084,Cc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CCCC4)cc2C(=O)N2CCC[C@@H]2C)c(F)c(C(F)(F)F)c1,HGHKTBSWDNNGME-IBGZPJMESA-N
rxn:5:193467:226882:223113,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(C(F)(F)F)c(F)c1F,YKEAYAZWMZSBIB-HNNXBMFYSA-N
rxn:5:193467:226901:222991,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCC(O)C3)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,HLLKKPSCEPFFDJ-JINQPTGOSA-N
rxn:5:193468:222991:226901,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCC(O)C3)cc2)cccc1-c1cccc(S(F)(F)(F)(F)F)c1,HWLOBVLGMLJVMX-QHELBMECSA-N
rxn:5:193469:223145:226884,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1-c1c(F)cc(C(F)(F)F)cc1F,XSUDRIBWKBJFTE-ZRTDVJLTSA-N
rxn:5:193469:225616:226740,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1cccc(C(F)(F)F)c1C#N,QVTZSBDTZRYVSM-HXUWFJFHSA-N
rxn:5:193469:226084:225871,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1-c1cccc(N2C(=O)C=CC2=O)c1,MKHZUEBCCFMCKV-OAQYLSRUSA-N
rxn:5:193506:222994:228894,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCC(O)CC4)c3)cc2-c2ccccc2[N+](=O)[O-])CC1,PLCSSDBBIRCLIF-UHFFFAOYSA-N
rxn:5:193506:223186:228454,COc1cc(-c2cc(-c3cnn(C4CCCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)c(OC)nn1,WCEBXIFNXDXEJV-UHFFFAOYSA-N
rxn:5:193506:225934:228476,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C(F)(F)F)c(C4CC4)c3)cc2-c2cccnc2C(F)(F)F)CC1,CPKFDQRABKTWQI-UHFFFAOYSA-N
rxn:5:193506:226898:228653,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn3c2CCCC3)c1,SPKOBEVUTLDCHM-UHFFFAOYSA-N
rxn:5:193506:227611:226328,CC(C)(C#N)c1ccc(-c2cc(-c3ccnn3C3CCCCO3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1F,IJNDBPXACZEAKT-UHFFFAOYSA-N
rxn:5:193506:227679:228498,Cn1cc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2S(=O)(=O)N2CCC(=O)CC2)c(C(F)(F)F)n1,XSVAVPMWXSFGLG-UHFFFAOYSA-N
rxn:5:193506:228199:227788,Cc1nn(C2CCC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C(F)(F)F)cnc2F)c1,CHNJNZXJWXQBQP-UHFFFAOYSA-N
rxn:5:193506:228455:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cnc(OC)nc2OC)ccc1S(=O)(=O)N1CCC(=O)CC1,SAZMYCGVJKICFN-UHFFFAOYSA-N
rxn:5:193506:228497:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2ccnn2CC(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,XMUBFRQUJLQVRH-UHFFFAOYSA-N
rxn:5:193506:228499:226685,Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(C3CCOCC3)nc2)c1,VFXYBABYTJFIRM-UHFFFAOYSA-N
rxn:5:193506:228653:226767,COc1ccc(C(F)(F)F)c(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,RSYQYCKBNHKYDU-UHFFFAOYSA-N
rxn:5:193541:226049:226849,COc1nccc(-c2cc(CN3CCCCC3)cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c2)c1C(F)(F)F,ZAAZPHNHFPHEEO-UHFFFAOYSA-N
rxn:5:193652:225818:226901,O=C1OC(c2ccc(-c3ccc(C(F)(F)F)cc3C3CC3)cc2)=NC1=Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,DMTNVVVZDGBCGS-UHFFFAOYSA-N
rxn:5:193652:226152:225590,COc1cc(C2CC2)cc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(CN6CCCC6)c(F)c5)cc4)C(=O)O3)cc2)c1C,KWLHWGUXRNHDLG-UHFFFAOYSA-N
rxn:5:193653:225934:226901,O=C1OC(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)=NC1=Cc1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1,AATRXNTXSZSPTC-UHFFFAOYSA-N
rxn:5:193681:225927:226338,CN1CCC(Oc2cc(-c3cc(C(F)(F)F)ccc3N(C)C)ccc2-c2ccnc(OC3CCCC3)c2)CC1,QWWGXHHTYCQFRY-UHFFFAOYSA-N
rxn:5:193681:226464:226318,COc1ccc2c(c1-c1ccc(-c3cc(C4CC4)nc(N(C)C)c3)c(OC3CCN(C)CC3)c1)OCCO2,OHDQGXMUMDHACT-UHFFFAOYSA-N
rxn:5:193710:223189:226854,COc1ccc(F)c(-c2ccc(C=C3SC(=S)N(c4cccc(-c5ccc(NS(C)(=O)=O)cc5F)c4)C3=O)cc2)c1[N+](=O)[O-],RHAFSOMSHBMTHZ-UHFFFAOYSA-N
rxn:5:193710:225436:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1ccc(C=C2SC(=S)N(c3cccc(-c4ccc(CN5CCCCC5)cc4)c3)C2=O)cc1,BVJCCCGPUBZQBC-UHFFFAOYSA-N
rxn:5:193710:226900:226060,O=C1C(=Cc2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2)SC(=S)N1c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,RCACMKYKPNZIKK-UHFFFAOYSA-N
rxn:5:193748:227738:225928,Cc1cnc(C(F)(F)F)cc1-c1ccc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c(C(=O)N2CCCC(C)C2)c1,PUIVAYILBLWVEW-UHFFFAOYSA-N
rxn:5:193750:222990:228236,CC1CCN(C(=O)c2cc(-c3ccc(N4CCC(O)CC4)cc3)ccc2-c2ccnc(F)c2C2CC2)CC1,XHLYNZDJYPGPAX-UHFFFAOYSA-N
rxn:5:193750:225465:228653,CC1CCN(C(=O)c2cc(-c3cccc(C4CCN(C)CC4)c3)ccc2-c2cnn3c2CCCC3)CC1,LSSOAULYHHKLRT-UHFFFAOYSA-N
rxn:5:193750:226864:226663,CC1CCN(C(=O)c2cc(-c3cc(F)c(OC(F)F)c(F)c3)ccc2-c2ccc(N3CCSCC3)nc2)CC1,JTMYIRDHXZLAPJ-UHFFFAOYSA-N
rxn:5:193750:227450:226901,CC1CCN(C(=O)c2cc(-c3cccc(C4CC4(F)F)c3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,ZDWXPBRRDMQIHJ-UHFFFAOYSA-N
rxn:5:193751:226900:226969,CC1CCCN(C(=O)c2cc(-c3ccc4c(c3)CCCC4=O)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)C1,MDNMSYUIERSCAK-UHFFFAOYSA-N
rxn:5:193751:226900:227552,CC1CCCN(C(=O)c2cc(-c3ccccc3CC(F)(F)F)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)C1,QWNPFRBRLQYALZ-UHFFFAOYSA-N
rxn:5:193752:222984:227892,CC1CCCN(C(=O)c2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(-c3ccc(CN(C)C)cc3)c2)C1,GZDXKGYTLGXTSU-UHFFFAOYSA-N
rxn:5:193755:225810:227830,COc1ccc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2ccc(C3(C)CC3)cc2)c(C2OCCO2)c1,LWQOXINTRIEZQD-UHFFFAOYSA-N
rxn:5:193755:226438:226152,COc1cc(C2CC2)cc(-c2c(C(=O)N3CCCC(C)C3)cccc2-c2cnc(C3CCCC3)cc2F)c1C,JHLCFNGHMNCRRL-UHFFFAOYSA-N
rxn:5:193756:225980:227522,COC(=O)c1ccc(-c2cc(-c3cc(N4CCOCC4)ncc3F)ccc2C(=O)N2CCCCC2C)c(C)n1,XPRJHUZQSBGUDT-UHFFFAOYSA-N
rxn:5:193868:226131:228155,COc1ccc(-c2ccc(-c3ccccc3CN3CCCC3)cc2C(=O)N2CC(C)OC(C)C2)cc1OC,KZVIRWIKBGFBII-UHFFFAOYSA-N
rxn:5:193869:226027:228617,COc1cccc(C)c1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1C,SESHDBYSNWCOGQ-UHFFFAOYSA-N
rxn:5:193869:226464:228184,COc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3c(OC)ccc4c3OCCO4)cc2C)cc1SC,RGZVXMUUDJTWRR-UHFFFAOYSA-N
rxn:5:193869:226882:228243,CC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccc(C(F)(F)F)c(F)c3F)cc2C)c1F,XPMZKZQDHASNRZ-UHFFFAOYSA-N
rxn:5:193869:228200:228502,Cc1cc(-c2ccnn2C2CCCC2)c(S(=O)(=O)N2CCCCC2)cc1-c1nn(C)cc1C(F)(F)F,ZVPTWZBWLMDFLX-UHFFFAOYSA-N
rxn:5:193870:223389:226573,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC(C)(C)C)nc2C)cc1-c1c(C)n[nH]c1C(F)(F)F,ISGOMNMLALFLCK-UHFFFAOYSA-N
rxn:5:193870:225441:228929,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(C(F)F)c2)cc1-c1cc(C2CC2)cnc1C(C)(C)C,IPBBWFZTLICBKT-UHFFFAOYSA-N
rxn:5:193870:226836:228066,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCO3)cc1-c1cn(C(C)C)nc1C(F)(F)F,MZNUETRBNDRWGV-UHFFFAOYSA-N
rxn:5:193871:227708:226053,O=C(c1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)c(-c2ccc(OC(F)(F)F)cc2)c1)N1CCC2(CC1)CC2,GUUFQZAOLCEVCV-UHFFFAOYSA-N
rxn:5:193892:226661:227207,CN1CCN(c2csc(-c3ccc(N4C(=O)CSC(c5ccc(-c6cccc7c6OCCC7=O)cc5)C4=O)cc3)c2)CC1,ZGIUEASAWRAZSF-UHFFFAOYSA-N
rxn:5:193932:223063:226437,CC1CC(C)CN(C(=O)c2ccc(-c3cc(C4CCCC4)ncc3F)c(-c3cc(F)nc(C4CCNCC4)c3)c2)C1,VXURXNWNTACJST-UHFFFAOYSA-N
rxn:5:193932:226752:223287,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc(C(F)(F)F)c2OC)cc1,SZCMOJPKJCTMJQ-UHFFFAOYSA-N
rxn:5:193967:226176:228598,COc1ccc(C)cc1-c1cc(-c2ccncc2C2CCCCC2)ccc1CN1CCC2(CC1)OCCO2,FANMJAOTTHPEJF-UHFFFAOYSA-N
rxn:5:193967:227021:227562,COc1ccc(F)c(-c2cc(-c3ccc(C4(C#N)CC4)cc3)ccc2CN2CCC3(CC2)OCCO3)c1OC,ZMTVOMLHGVXECX-UHFFFAOYSA-N
rxn:5:193967:227059:225802,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(OC4CCCC4)nc3F)c2)cc1C(C)C,ZCPNPAGTNUNLBE-UHFFFAOYSA-N
rxn:5:193967:227349:228713,COc1cc(C)cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccn(C(C)(C)C)n3)c2)c1OC,CDCORIJIEQENJA-UHFFFAOYSA-N
rxn:5:193967:227824:226851,COc1cc(-c2cc(-c3ccc(C4CCC4)cc3)ccc2CN2CCC3(CC2)OCCO3)c(C(F)(F)F)cn1,OAQSRYXRNZTBCM-UHFFFAOYSA-N
rxn:5:193967:227951:226464,COc1ccc2c(c1-c1cc(-c3ccc([N+](C)(C)C)cc3)ccc1CN1CCC3(CC1)OCCO3)OCCO2,TUMMXYWAUWRWQR-UHFFFAOYSA-N
rxn:5:193968:225466:228180,COCc1cc(-c2ccc(-c3ccc(N4CCCCC4C)cc3)cc2CN2CCC3(CC2)OCCO3)ccc1F,RWCBYZPWEZTFMN-UHFFFAOYSA-N
rxn:5:193968:226464:227869,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CC(C)O4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,ROIJMSURSSPLSC-UHFFFAOYSA-N
rxn:5:193968:226907:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1CN1CCC2(CC1)OCCO2,CNEPIXZBRMSDLF-UHFFFAOYSA-N
rxn:5:193968:227124:228411,COc1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2CN2CCC3(CC2)OCCO3)c(F)c1F,WNLACXWVUFTGNM-UHFFFAOYSA-N
rxn:5:193968:227766:228653,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cnn3c2CCCC3)c(CN2CCC3(CC2)OCCO3)c1,ICJKAGYQNMCVTP-UHFFFAOYSA-N
rxn:5:193968:227830:226603,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccc(C4(C)CC4)cc3)cc2CN2CCC3(CC2)OCCO3)c1,YUGYBZPISRXGSN-UHFFFAOYSA-N
rxn:5:193972:223001:228337,CCOc1cc(F)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(C4CCCNC4)ccc3F)cc2C)cn1,CFVHIICQIBABRA-UHFFFAOYSA-N
rxn:5:193972:225928:223445,COc1cc[nH+]cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1C,VAULSXBTTGPAMM-UHFFFAOYSA-O
rxn:5:193972:227046:228157,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(C)cc(OC(C)C)c3)cc2C)c(OC)c1,YHRLZVNKDILNTO-UHFFFAOYSA-N
rxn:5:193972:228653:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cnn3c2CCCC3)cc1C,VOAONNIQPLDDJQ-UHFFFAOYSA-N
rxn:5:193972:228695:227364,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3csc(CN(C)C)c3)cc2C)c(OC)c1C,LLVVLRLDVZEOEO-UHFFFAOYSA-N
rxn:5:193972:229049:226745,CCc1ncc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cnc3n2CCC3)cc1C,ASVBUPUACIRQET-UHFFFAOYSA-N
rxn:5:194398:222993:226901,O=C(c1ccc(-c2cccc(N3CCCCC3O)c2)cc1-c1cccc(S(F)(F)(F)(F)F)c1)N1CC2CC2C1,XYQRCJYTKLTDKV-UHFFFAOYSA-N
rxn:5:194522:226837:226059,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc2c(c1-c1ccc(C(C)C)cc1C(C)C)CCN2CC(C)C,MWSVSCKVIVOZML-UHFFFAOYSA-N
rxn:5:194522:226900:226045,CC(C)CN1CCc2c1ccc(-c1ccc(S(F)(F)(F)(F)F)cc1)c2-c1ccc(C(F)(F)C(F)(F)F)nc1,OCZZQVMEFJCFRE-UHFFFAOYSA-N
rxn:5:194561:225929:227987,COc1c(C)ccc(-c2ccc(-c3ccc(S(=O)(=O)N(C)C)c(C)c3)cc2C(=O)N2C3CCC2COC3)c1C,RLUPURXHTLUWNU-UHFFFAOYSA-N
rxn:5:194575:226042:222981,O=[N+]([O-])c1ccc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4ccnc(NC5CCCCC5)c4)cc3C2)c(C(F)(F)F)c1,MEDHBAKBWDWPCS-UHFFFAOYSA-N
rxn:5:194688:223141:225980,COc1cc(-c2cc(N3CCOCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(C4CCNCC4)c3)cc1)C2,IKAQGLQYRHQSBR-UHFFFAOYSA-N
rxn:5:194688:226644:226664,COc1cc(-c2cc(N3CCCC3)ncc2F)cc2c1OCC(=O)N(c1ccc(-c3cncc(N4CCOCC4)c3)cc1)C2,OYYZNVQODLJOLH-UHFFFAOYSA-N
rxn:5:194688:226679:226794,COc1cc(-c2cnc(N3CCSCC3)nc2)cc2c1OCC(=O)N(c1ccc(-c3cnc(N4CCCC4)cc3F)cc1)C2,MDCJWCKNXOPCII-UHFFFAOYSA-N
rxn:5:194688:227379:225976,COc1cc(-c2ccnc(N3CCOCC3)c2F)cc2c1OCC(=O)N(c1ccc(-c3cccnc3N3CCCC3)cc1)C2,NBNIBMXXUAMQMD-UHFFFAOYSA-N
rxn:5:194733:225888:228492,Cc1nc2cc(-c3ccc(-c4c(F)cc(F)c(F)c4F)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)c(F)c(F)c2n1C,IFWOIUZQOUUSBG-UHFFFAOYSA-N
rxn:5:194733:225930:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3cc(C)ccc3S(=O)(=O)N(C)C)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RWKPGLBBYQRQFY-UHFFFAOYSA-N
rxn:5:194733:226900:228830,Cc1c(F)ccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,DKQQXHOTTOUPCP-UHFFFAOYSA-N
rxn:5:194733:226901:227815,CCC(C)c1ccccc1-c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,VMYCQBLSSZNROX-UHFFFAOYSA-N
rxn:5:194733:227450:228983,C#Cc1ccccc1-c1ccc(-c2cccc(C3CC3(F)F)c2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,BCMOCAHVONTABO-UHFFFAOYSA-N
rxn:5:194733:227896:227659,Cc1c(-c2ccc(-c3ccccc3C=CC#N)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cccc1C(F)(F)F,LNCOYBRZLSBDQN-UHFFFAOYSA-N
rxn:5:194767:223062:225978,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(C5CCNCC5)cc4F)ccc3-c3ccc(N4CCOCC4)nc3F)C2)c2ccccc21,OAZZNLOYLYMWKC-UHFFFAOYSA-N
rxn:5:194767:223141:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(C5CCNCC5)c4)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,GVADIISRMZXWSF-UHFFFAOYSA-N
rxn:5:194767:223378:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc5c(c4)NCCO5)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,IUHZZQXQYLAEET-UHFFFAOYSA-N
rxn:5:194767:223378:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc5c(c4)NCCO5)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,QANPMCWGKIPLQH-UHFFFAOYSA-N
rxn:5:194767:225982:227020,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3cncc(C#CC4CC4)c3)C2)c2ccccc21,INVLRVOLFYVXMY-UHFFFAOYSA-N
rxn:5:194767:227108:228417,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCC5)ccc4F)ccc3-c3ccc(F)c(C(F)F)c3)C2)c2ccccc21,NMNULNQIKQWEQI-UHFFFAOYSA-N
rxn:5:194767:229026:225436,Cc1cc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c(C)cn1,GZYLGDDWRGGEDP-UHFFFAOYSA-N
rxn:5:194782:225809:225598,O=C1CC2(CCN(C(=O)c3cc(-c4cc(F)ccc4OC4CCOC4)ccc3-c3cccc(CN4CCSCC4)c3)CC2)Oc2ccccc21,HHVXRKMUFFVDIJ-UHFFFAOYSA-N
rxn:5:194791:226444:229168,COc1nc(C)sc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(C5CCCO5)nc4C)C(=O)C23)cc1,ZKHGUUWEWMYBJN-UHFFFAOYSA-N
rxn:5:194791:227288:226177,CN(C)C(=O)c1ccccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4ccnc(C5CCCCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SKNMHMINTVRDPR-UHFFFAOYSA-N
rxn:5:194791:227350:228363,COc1cc(C)cc(OC)c1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cnc(N(C)C)cc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,NFUBQBPIJGYWAB-UHFFFAOYSA-N
rxn:5:194792:225391:223231,CNC(=O)c1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(Cc7ccccc7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cc1C,UJHVKZGMULWHHS-UHFFFAOYSA-N
rxn:5:194792:225620:228881,CC(=O)c1ncc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(OC7CCOCC7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)cn1,CSIUDOAJQJFUPO-UHFFFAOYSA-N
rxn:5:194792:226901:227896,N#CC=Cc1ccccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5cccc(S(F)(F)(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CTXTWQDHZDAAMM-UHFFFAOYSA-N
rxn:5:194792:227026:229026,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccc(C#N)c(C7CC7)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c(C)cn1,OBPFGUSGLUYLRT-UHFFFAOYSA-N
rxn:5:194792:227139:227761,N#Cc1cccc2sc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccc(F)cc7C(F)(F)F)cc6)C(=O)C45)cc3)cc12,MOZSZJDYOZZCIM-UHFFFAOYSA-N
rxn:5:196198:225620:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(OC3CCOCC3)cc2)c1,MOKBXCRWVHAJCQ-UHFFFAOYSA-N
rxn:5:196408:223063:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c1,UKCQXMXSADQAAT-UHFFFAOYSA-N
rxn:5:196408:223065:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCNCC3)cc2F)c1,YLWJZFLSAXJMLX-UHFFFAOYSA-N
rxn:5:196533:226041:226900,O=C1CC(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)N1c1ccc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1,MWIRFVFKDPETLW-UHFFFAOYSA-N
rxn:5:196533:226469:225832,Cc1nn(C2CCCCO2)c(C)c1C1CC(=O)N(c2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2)C1=O,IGDQOXRGMBCLRP-UHFFFAOYSA-N
rxn:5:196620:225986:226046,O=C1CCCN1c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1-c1ccccc1N1CCCS1(=O)=O,FSSLCPBGEYRHQU-UHFFFAOYSA-N
rxn:5:196620:226686:226654,Cc1cnn(C2CCCCO2)c1-c1cc(-c2csc(N3CCC(C)CC3)n2)ccc1N1CCCC1=O,ISTRFMTWLYDHPZ-UHFFFAOYSA-N
rxn:5:196622:225988:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2c(F)cc(C3OCCO3)cc2F)cccc1N1CCCC1=O,BKWCLFIDGSBYMQ-UHFFFAOYSA-N
rxn:5:196789:223062:226583,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)s1,BZNDDWLQGJXIFV-UHFFFAOYSA-N
rxn:5:196789:225584:226186,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccccc3C3CCOCC3)c2)cc1)N1CCCC1,JFCJRQAGUCPYDA-UHFFFAOYSA-N
rxn:5:196790:225661:227386,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1N1CCOCC1=O,JMDWTRGOIAMBTG-UHFFFAOYSA-N
rxn:5:196791:226593:223010,CC(C)Oc1ccc(F)c(-c2cccc(N3CCOCC3=O)c2-c2ccc(C3(O)CCOCC3)cc2)c1F,OWXIDQVIKLQTLK-UHFFFAOYSA-N
rxn:5:196792:225683:227386,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2cnn(C3CCCCC3)c2)cc1N1CCOCC1=O,DODLVPOOMNCWKO-UHFFFAOYSA-N
rxn:5:196793:225978:226849,COc1nccc(-c2cc(N3CCOCC3=O)ccc2-c2ccc(N3CCOCC3)nc2F)c1C(F)(F)F,HKTKZVAFCZIKOG-UHFFFAOYSA-N
rxn:5:196794:223062:226583,O=C1COCCN1c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)s1,UGWKKXOYPLPVGJ-UHFFFAOYSA-N
rxn:5:196794:225450:225873,O=C(c1ccc(-c2ccc(-c3cccc(N4CCOCC4=O)c3)c(N3CCOCC3=O)c2)cc1)C1CCCC1,AUUZCUUFOAZNES-UHFFFAOYSA-N
rxn:5:196794:225943:226919,O=C(c1ccc(-c2ccc(-c3cccc(C4CCCC4)c3)c(N3CCOCC3=O)c2)s1)N1CCOCC1,JGGLLUQJWKQKFR-UHFFFAOYSA-N
rxn:5:196794:226588:226583,O=C1COCCN1c1cc(-c2cc(OC3CCC3)ncc2F)ccc1-c1ccc(CN2CCOCC2)s1,UMEHDYYJJHZYRW-UHFFFAOYSA-N
rxn:5:196870:222996:225810,COc1ccc(-c2cc(-c3ccc(F)cc3C3CCCNC3)cc(N3CCOCC3)c2)c(C2OCCO2)c1,KOWRJKGSVRLKDA-UHFFFAOYSA-N
rxn:5:196873:225849:225982,Fc1cc(N2CCCCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,XXJQUWIGUBSOJN-UHFFFAOYSA-N
rxn:5:196916:226366:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCCC3=O)c(-c3ccnc(N4CCCCC4)c3)c2)c1,LPGMOCIJRHZCII-UHFFFAOYSA-N
rxn:5:196916:226395:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(N2CCCCC2=O)c(-c2cncc(N3CCCCC3)c2)c1,ODXNKVMJHLTCKX-UHFFFAOYSA-N
rxn:5:196919:223139:223064,CC1(C)COC(c2ccc(-c3ccc(C4CCNCC4)nc3)cc2-c2ccc(C3CCNCC3)nc2F)=N1,MWKWVKQRMLIOFS-UHFFFAOYSA-N
rxn:5:196923:225819:226332,O=C(c1ccccc1-c1cc(N2CCCCC2=O)ccc1-c1cc(C(F)(F)F)ccc1C1CC1)N1CCC1,WOJTVBLLRDKKHT-UHFFFAOYSA-N
rxn:5:196971:223064:223006,Fc1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ncc2C2CCCCC2)cc1C1CCNCC1,LPKIQXZUZQROMO-UHFFFAOYSA-N
rxn:5:197876:223389:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1c(C)n[nH]c1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,KRPPCNDSOKOJIR-UHFFFAOYSA-N
rxn:5:197876:225832:223452,Cc1n[nH]c(C)c1-c1cc2c(cc1-c1c(C)nn(C3CCCCO3)c1C)S(=O)(=O)N(C(C)(C)C)C2=O,QAJJCYMPHBVHOH-UHFFFAOYSA-N
rxn:5:197876:226579:226320,CN(C)C(=O)c1cc(F)cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IYNCPQGFMLIZIW-UHFFFAOYSA-N
rxn:5:197876:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,PYGAQXCTXKMAGE-UHFFFAOYSA-N
rxn:5:197876:226835:227738,Cc1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,XBSKQAUJOBILJM-UHFFFAOYSA-N
rxn:5:197876:227039:227795,CC(C)(C)Oc1ccc(-c2cc3c(cc2-c2ccc(F)c([N+](=O)[O-])c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,FEPMTCWVUUXVHZ-UHFFFAOYSA-N
rxn:5:197876:228458:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cnc(SC)nc1SC)S(=O)(=O)N(C(C)(C)C)C2=O,DTXXRNFBWADYIO-UHFFFAOYSA-N
rxn:5:197876:228680:226836,CCCn1nc(C)cc1-c1cc2c(cc1-c1cn(C(C)C)nc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,XXGUOSZVFUUAEX-UHFFFAOYSA-N
rxn:5:199278:225937:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)ncc2C(C)C)cc2c1N(C)C(=O)CC2,YBQMGICMCZBRFX-UHFFFAOYSA-N
rxn:5:199278:226054:225939,CC(C)c1cc(-c2cc(-c3cnc(C(F)(F)C(F)(F)F)nc3)cc3c2N(C)C(=O)CC3)cnc1C(F)(F)F,ZFOMQCLQBPLDFE-UHFFFAOYSA-N
rxn:4:173392:222522,CCCCOc1ccc(C(=O)OC)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,OXXNVDUKQBQZQH-UHFFFAOYSA-N
rxn:4:173392:223998,CCCCOc1ccc(C(=O)OC)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,ITMPNNOPFKKTAH-UHFFFAOYSA-N
rxn:4:173675:222628,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,FGKZBRHBUHPNDR-UHFFFAOYSA-N
rxn:4:173765:223712,CCOC(=O)c1ccc(OC(F)F)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,RWZDKTNOFCYJAU-UHFFFAOYSA-N
rxn:4:173865:223602,COCCOc1ccc(C(F)(F)F)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,HYEFFMGPHPTFMM-UHFFFAOYSA-N
rxn:4:174196:224065,COc1ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)cc1OCCC1OCCO1,TZTMTVSYMWIXKV-UHFFFAOYSA-N
rxn:4:174264:223490,COCCOc1ccccc1-c1ccccc1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,TWZMRROWFYEPOM-UHFFFAOYSA-N
rxn:4:174316:223831,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1,UMXHKZSISFCELO-UHFFFAOYSA-N
rxn:4:174406:224738,COC(=O)C1(c2ccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cc2)CC(OC)(OC)C1,HSQZHEQZGJYDQQ-UHFFFAOYSA-N
rxn:4:174407:222634,COC(=O)C1(c2cccc(-c3ccc(OCCNC4CCCC4)c(F)c3)c2)CC(OC)(OC)C1,NPHWBVSPMSHXPO-UHFFFAOYSA-N
rxn:4:174407:224595,COC(=O)C1(c2cccc(-c3ccc(N4CCCC(C)C4)cc3OC)c2)CC(OC)(OC)C1,GLPDARLJOUDEHU-UHFFFAOYSA-N
rxn:4:174407:225889,COC(=O)C1(c2cccc(-c3ccnn3COCC[Si](C)(C)C)c2)CC(OC)(OC)C1,ATHQTFNGEVWAJG-UHFFFAOYSA-N
rxn:4:174447:223786,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)c(-c2ccc(F)cc2F)cc1OC(C)C,QYDIRFHWQGONNJ-UHFFFAOYSA-N
rxn:4:174468:224569,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1cc(F)cc(OCC2CCCCC2)c1,FTYZREJIVOGTDM-UHFFFAOYSA-N
rxn:4:174540:222541,COC(=O)C12CC(COc3cccc(-c4ccc(C(=O)NCCN5CCCCC5)cc4)c3)(C1)C2,MRXYFJSUHLCNMT-UHFFFAOYSA-N
rxn:4:174663:224263,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3)cc2C(F)(F)F)cc1,GXIOUQDMRLHGCH-SFPUTPFGSA-N
rxn:4:174663:224859,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)c2ccccc2-3)cc1,JZUKBFRLSGVSBC-TZNHQHTCSA-N
rxn:4:174663:225476,Cc1ccc(-c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cn2)cc1,AZAYVXGLEDMYQD-SFPUTPFGSA-N
rxn:4:174663:226752,COc1c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cccc1C(F)(F)F,ZAKWCZCGLFTXFW-QQXXBIGFSA-N
rxn:4:174663:226915,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C3CCCC3)cc2)cc1,DMUKHWKSIDEZEG-HTDAYYDWSA-N
rxn:4:174663:227027,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2C2(C#N)CC2)cc1,KZRYPJKYALFOQD-DPZGEQBTSA-N
rxn:4:174663:228404,COc1c(F)ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1Cl,GLVUIGKWFZPJIL-HHMMATJQSA-N
rxn:4:174663:228410,COc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)c1F,VPFKWTHJKPASAL-HHMMATJQSA-N
rxn:4:174663:228868,COC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)s1,XQMFXDQAVGOQII-BUVPBVQTSA-N
rxn:4:174663:228881,CC(=O)c1ncc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,CHJVLBVNGXLAMG-IJSUORRQSA-N
rxn:4:174663:229010,CC(C)c1csc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,BVETUXYLPFDOFS-MWUKLDBESA-N
rxn:4:174663:229039,Cc1c(Cl)cccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,BCINAVGCCNQCSL-MWUKLDBESA-N
rxn:4:174663:229075,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)sc1C#N,SFZZQNMIEJVSOV-UAJPHTGBSA-N
rxn:4:174663:229162,COc1cnc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,YYQOHPOMYNQCGV-YLOZASHQSA-N
rxn:4:174663:229296,Cn1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,YZJDRRQZWDJWKN-AVWBUSPOSA-N
rxn:4:175020:223531,CCOc1cc(C(=O)OC)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,YCNNPLHHABRYOS-UHFFFAOYSA-N
rxn:4:175360:223683,CCOC(=O)c1cc(C)c(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)c(OC)c1F,NBNRBWJMOLSAOO-UHFFFAOYSA-N
rxn:4:175427:223840,COC(=O)c1ccc(OC2CCC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)c1,VVDKHQPUNWXPCW-UHFFFAOYSA-N
rxn:4:175427:223951,COC(=O)c1ccc(OC2CCC2)c(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c1,SMNVKNQZNVQEOH-UHFFFAOYSA-N
rxn:4:175872:223926,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1COC1CCCC1,DDIZWRLLQAHRON-UHFFFAOYSA-N
rxn:4:176090:224396,Cc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1S(=O)(=O)N1CCOCC1,HTMHABVQOMWCOA-UHFFFAOYSA-N
rxn:4:176119:223480,Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)cc3F)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LEYBWDQSCPASDO-UHFFFAOYSA-N
rxn:4:176130:224496,CCN1CCN(Cc2cccc(-c3ccc(C4(O[Si](C)(C)C(C)(C)C)CC4)o3)c2)CC1,NWZDZJWLOPPSMF-UHFFFAOYSA-N
rxn:4:176156:224404,Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,IVGOLQWPTQGMBC-UHFFFAOYSA-N
rxn:4:176316:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(F)(F)F)c(C4C5CC6CC(C5)CC4C6)c3)cc2)CC1,JDESTADEJAJLTC-MELUCHHLSA-N
rxn:4:176316:227009,CCC(C)Oc1ccccc1-c1ccc(OCC(F)(F)F)c(C2C3CC4CC(C3)CC2C4)c1,ZRUUKAWQEJGLLU-UHFFFAOYSA-N
rxn:4:177199:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(F)c3C(=O)CC3CC3)c2)CC1,VOQJZWBZDGYMLV-UHFFFAOYSA-N
rxn:4:177341:223506,COc1cc(C(C)=O)cc(OC)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RGMBTYXADICTBS-UHFFFAOYSA-N
rxn:4:178116:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(COC4CCCCO4)cc3)cn2)CC1,JRZKWZJONQJTHH-UHFFFAOYSA-N
rxn:4:178116:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(COC4CCCCO4)cc3)cn2)CC1,UISTWRBBXVGBSR-UHFFFAOYSA-N
rxn:4:178124:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(OC2CCCC2)c1F,HHLYBJWFFIZNPK-UHFFFAOYSA-N
rxn:4:178295:225832,COC(=O)C1(c2cc(Cl)ccc2-c2c(C)nn(C3CCCCO3)c2C)CCC(=O)CC1,NCAIOALTMVCNJR-UHFFFAOYSA-N
rxn:4:178318:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1F,DATJIOMZPRLWAQ-UHFFFAOYSA-N
rxn:4:178384:226264,CCCCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,VZDFYIUKCHTQMY-UHFFFAOYSA-N
rxn:4:178384:226908,CCCCCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,FCWGJDWGGGJQDE-UHFFFAOYSA-N
rxn:4:178384:227888,CCCSc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,KBFHYQYNIVEQJT-UHFFFAOYSA-N
rxn:4:178384:228558,CCSc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,AQPAFRLSHJKVKY-UHFFFAOYSA-N
rxn:4:178588:222615,CC(C)Cc1cc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc(C2CCNCC2)c1,IQRNLTKLIHQHDB-UHFFFAOYSA-N
rxn:4:178588:224733,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3ccc(OC(F)F)c(OC4CCC4)c3)ccc2C1,ALWRQKUVSHMQGK-UHFFFAOYSA-N
rxn:4:178598:222777,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)c1,YINSEAKXZPWUFL-UHFFFAOYSA-N
rxn:4:178598:223976,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c1,POIYEJDFRCFBHZ-UHFFFAOYSA-N
rxn:4:178598:224392,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1,QWNRWORFFVRCJK-UHFFFAOYSA-N
rxn:4:178598:224733,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OC(F)F)c(OC3CCC3)c2)c1,LVKFHSWFFCWWHX-UHFFFAOYSA-N
rxn:4:178598:225178,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCOCC3)cc2F)c1,AYOSZKKQPHKCKT-UHFFFAOYSA-N
rxn:4:178598:225364,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)N(C)C)c(C)cc2F)c1,AHXFNQBDBVHBOO-UHFFFAOYSA-N
rxn:4:178607:223606,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)o1)C(F)(F)F,SOBPNNKYNHFOTD-UHFFFAOYSA-N
rxn:4:178717:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1C(=O)CF,WPHVCSCAZANKQK-UHFFFAOYSA-N
rxn:4:180507:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(C2OCCO2)c([Si](C)(C)C)c(F)c1F,HAHOQIOHAQFCTR-UHFFFAOYSA-N
rxn:4:180534:224684,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc3)o2)C(=O)O1,UKZNGUJGDOZRDT-UHFFFAOYSA-N
rxn:4:180681:223606,COC(=O)C1COc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc2C1=O,JEDCCLMDKSJLCF-UHFFFAOYSA-N
rxn:4:181804:223522,CC1(c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)COC1,UCAIZKOEHALLAD-UHFFFAOYSA-N
rxn:4:182108:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CCCCCCC4)cc3)c(F)c2)CC1,BWYOQDIKOCXNCM-UHFFFAOYSA-N
rxn:4:182263:223597,CO[C@H]1COCc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,FEXOVAYLDDOLJL-DEOSSOPVSA-N
rxn:4:182263:223598,CO[C@H]1COCc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc21,KLZQJKIUZVCEMW-DEOSSOPVSA-N
rxn:4:182376:225720,CCOC(=O)COc1ccccc1-c1ccc2c(c1)C(=O)[C@@]1(C2)C[C@@H](C)[C@H](OC)[C@@H](C)C1,QLOTXYYLLZSVMH-LBNMFOMMSA-N
rxn:4:182993:223490,Cc1ccc(-c2ccc3c(c2)C(Cl)CCO3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YXWRDTDKRMXQPC-UHFFFAOYSA-N
rxn:4:183141:223533,CC1CCc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc2O1,HBSSJGHGDVCJAD-UHFFFAOYSA-N
rxn:4:183271:225563,CC(C)(C)OCc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,ZPUJNSIVHYZXIM-UHFFFAOYSA-N
rxn:4:183272:223147,c1cc(C2CNCCO2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NYUSUEREZXUFNX-UHFFFAOYSA-N
rxn:4:183272:225003,COc1cc(N2CCCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,YHRLZLHUYFURDK-UHFFFAOYSA-N
rxn:4:183272:225611,COc1cc(N2CCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,WOXTZBYXEODSIZ-UHFFFAOYSA-N
rxn:4:183272:228320,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccn1,XNQNJHSFCYWUGY-UHFFFAOYSA-N
rxn:4:183272:228455,COc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(OC)n1,LVDHTXOKVZTLGL-UHFFFAOYSA-N
rxn:4:183273:224120,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1CO[Si](C)(C)C(C)(C)C,KVQSTLGYHBXDMQ-UHFFFAOYSA-N
rxn:4:183273:228346,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(C)s1,NTQKKMWAZDWIPH-UHFFFAOYSA-N
rxn:4:183273:228871,COC(=O)c1ccsc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,CBLIWEDHOGPCNJ-UHFFFAOYSA-N
rxn:4:183274:228143,CCCc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc1Cl,RYODMYSMSCBJCF-UHFFFAOYSA-N
rxn:4:183379:225384,CC1(C)C=Cc2c3c(cc(-c4ccc(OC(F)(F)F)c([N+](=O)[O-])c4)c2O1)C(=O)OC(C)(C)O3,NJJUDUKPZNWYSP-UHFFFAOYSA-N
rxn:4:183471:223696,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],OOGNBQYXJBKLCU-UHFFFAOYSA-N
rxn:4:183516:222588,CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1ccc(OCCN2CCC(O)CC2)c(F)c1,OXLFDKLPMHCLDQ-UHFFFAOYSA-N
rxn:4:183624:223954,CCN(CC)C(=O)COc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cc1F,LKXGXYYGZUJGJE-UHFFFAOYSA-N
rxn:4:183723:224766,FC(F)(F)Oc1ccc(-c2cc(N3CCCC3)cc(C(F)(F)F)c2)c(OCCN2CCCC2)c1,CVSJHMLTRMOSKN-UHFFFAOYSA-N
rxn:4:183745:224819,COC(=O)CSC1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)C1,HWZUACXMXPXKFV-UHFFFAOYSA-N
rxn:4:183760:222776,COCCOc1cc(-c2ccc(CN3CCC(O)CC3)cc2F)ccc1C(=O)N1CCCC1,YTYUCOQYXICQMZ-UHFFFAOYSA-N
rxn:4:183760:224590,COCCOc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)ccc1C(=O)N1CCCC1,ULKAGEXBOIDRRM-UHFFFAOYSA-N
rxn:4:183804:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)c1,GAVMCAOOPHMNDM-UHFFFAOYSA-N
rxn:4:183842:226257,CCCCOc1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1OCCN1CCOC(C)C1,GYUPTUORTRESKO-UHFFFAOYSA-N
rxn:4:183842:226488,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2ccc(OCCCF)c(F)c2)CCO1,CUNSNSHRILKBSY-UHFFFAOYSA-N
rxn:4:183878:222517,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)c2)C1,CVMGYSKSIBAFJC-UHFFFAOYSA-N
rxn:4:183878:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)c1,BINKURLPBBSLFZ-UHFFFAOYSA-N
rxn:4:183878:223935,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)C1,MZAZRHPQZXIGKK-UHFFFAOYSA-N
rxn:4:183881:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)c(Cl)c1,SABHLRGBLPGQCJ-UHFFFAOYSA-N
rxn:4:183892:223831,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,WLSVUUQKWXOSIP-UHFFFAOYSA-N
rxn:4:183898:225179,COC1CCN(CCCOc2ccccc2-c2cccc(Cl)c2CN2CCOCC2)CC1,OTFLGUUQZSHABP-UHFFFAOYSA-N
rxn:4:183915:223598,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CC1,SOXDVWQQRVVVOK-UHFFFAOYSA-N
rxn:4:183944:225102,CCN(CC)C(=O)c1cc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,ZVPNSRIVHKCKBN-UHFFFAOYSA-N
rxn:4:184001:225665,COC(=O)C1(c2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,IALZGNCUWRMIKK-UHFFFAOYSA-N
rxn:4:184006:222633,COc1ccc(C(=O)N(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)C2C=CS(=O)(=O)C2)cc1OC,NDVRWABRYXAVGZ-UHFFFAOYSA-N
rxn:4:184022:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(Cl)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1,WFSOXHTUSQVYPG-UHFFFAOYSA-N
rxn:4:184023:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(Cl)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,MDPZLTYPMFZGNU-UHFFFAOYSA-N
rxn:4:184024:223888,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)C1,ZPLKDPPSYIGNPH-UHFFFAOYSA-N
rxn:4:184024:226582,CN(C)C(=O)c1ccc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c(F)c1,PZRGEFUBPHPJHR-UHFFFAOYSA-N
rxn:4:184025:223931,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)ccc2Cl)CC1,OUOCSCPVPRRSBQ-UHFFFAOYSA-N
rxn:4:184027:223529,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1,QPGZUFUQWWSMRG-UHFFFAOYSA-N
rxn:4:184027:224278,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cc2F)CC1,ASTFHWHCKHYCME-UHFFFAOYSA-N
rxn:4:184027:225394,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2F)CC1,OHUFQQPDSWSZLC-UHFFFAOYSA-N
rxn:4:184055:223788,COc1cc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,UWEQEDYNEPVSNK-UHFFFAOYSA-N
rxn:4:184056:223761,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,MFCZLNUAIJUNCU-UHFFFAOYSA-N
rxn:4:184087:228894,O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCS(=O)(=O)C1,UDCZRGAVZCAKIM-UHFFFAOYSA-N
rxn:4:184284:223606,CCOC(=O)COc1cccnc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,FCKVJMAEHIOJIH-UHFFFAOYSA-N
rxn:4:184404:224830,COC(=O)Cc1cc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc(C(F)F)c1C#N,BXZAKVFWZNDNJL-UHFFFAOYSA-N
rxn:4:184525:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C#N)c(OC)cc2CC(=O)OC)c(C(F)(F)F)c1,MRICRLSRYAJXJN-UHFFFAOYSA-N
rxn:4:184605:224008,O=C(COc1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-])C1CC1,RAPQXLAVSIEOPN-UHFFFAOYSA-N
rxn:4:184628:224018,CCOC(=O)Cc1cc(C)cc(C#N)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1,BWNLAWKWABQHLS-UHFFFAOYSA-N
rxn:4:184775:225297,O=C(CCc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1)ON1C(=O)CCC1=O,OELDOOVAKLPJPR-UHFFFAOYSA-N
rxn:4:184814:223712,CCN(CC)CCc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1Cl,XVBLWQAIFPIVAP-UHFFFAOYSA-N
rxn:4:184864:223506,COC(=O)C(c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC)N(C)C,HXRZGFGNVBVKMY-UHFFFAOYSA-N
rxn:4:184865:222632,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1cccc(C(=O)NCCN2CCCC2)c1,GOTJWLASQXXXAV-UHFFFAOYSA-N
rxn:4:185086:223831,COc1ccc(-c2ccc(OCCCN3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZKNBPSPTJMCOFT-UHFFFAOYSA-N
rxn:4:185130:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cccc(CC2CN(C(=O)OC(C)(C)C)C2)c1,WPBUSMDJCFQPIY-UHFFFAOYSA-N
rxn:4:185133:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1ccc(CC2CN(C(=O)OC(C)(C)C)C2)cc1,TZDUBNQCVSVOMX-UHFFFAOYSA-N
rxn:4:185149:226532,CCOC(=O)c1cc(F)cc(-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)c1,VZLJWAAPTLRTKU-UHFFFAOYSA-N
rxn:4:185159:226544,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccc(C(=O)OC)cc2OC)c1,RVVCGOYCPKHEGR-UHFFFAOYSA-N
rxn:4:185159:226755,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(C(=O)OC)c(F)cc2Cl)c1,KSRZCYQXZJZRJD-UHFFFAOYSA-N
rxn:4:185164:224273,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)c2)C1,KCIYBLQONOWAIJ-UHFFFAOYSA-N
rxn:4:185165:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C(F)(F)F)c(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)C1,NQTHULYAGSEGRO-UHFFFAOYSA-N
rxn:4:185184:224588,CC1CCN(Cc2cc(F)cc(-c3ccccc3OCCCN3CCCCC3C)c2)CC1,HZUIEMSSWRMSIC-UHFFFAOYSA-N
rxn:4:185204:224271,COc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,CWJWITUTDAJOJR-UHFFFAOYSA-N
rxn:4:185208:224157,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2F)C1,AFAMKMDAVGIBHH-UHFFFAOYSA-N
rxn:4:185208:225294,CCN1CCN(c2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,QDLDULPJMNIXQG-UHFFFAOYSA-N
rxn:4:185211:223481,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(OCc2ccccc2)cc1[N+](=O)[O-],VLWKIGRGSCHSLG-UHFFFAOYSA-N
rxn:4:185224:225898,COc1cc(-c2cnn(CCN3CCOCC3)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,HRHGNHZJMJFJJV-UHFFFAOYSA-N
rxn:4:185246:222948,CC(C)(C)OC(=O)N1CCC(=O)C1Cc1cccc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,JWCSDLPPZFYCSE-UHFFFAOYSA-N
rxn:4:185271:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)c(F)c2)CC1,NNRMCVHPMJZXNW-UHFFFAOYSA-N
rxn:4:185313:224269,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cn(C(=O)OC(C)(C)C)c3cnccc23)CC1,DHWCKEJPKAQMKV-UHFFFAOYSA-N
rxn:4:185314:226655,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3cc(Cl)cnc3N3CCCC3)c2)C1,SCYASNJGXXYXBH-UHFFFAOYSA-N
rxn:4:185323:225665,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)cc3N3CCCCC3)cc2F)CC1,ZISQQDYLFVEKQG-UHFFFAOYSA-N
rxn:4:185324:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,IXJLCLKZBSLNGB-UHFFFAOYSA-N
rxn:4:185352:224120,Cc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,HFOPARMRIIBYIN-UHFFFAOYSA-N
rxn:4:185352:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,NJPACLXQXHTATC-UHFFFAOYSA-N
rxn:4:185354:223500,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IBDJAPUDQZLPBR-UHFFFAOYSA-N
rxn:4:185354:223504,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,JONBRRBDONUTOL-UHFFFAOYSA-N
rxn:4:185378:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,VVROBGDLBPVAGG-UHFFFAOYSA-N
rxn:4:185381:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,JQNYITQGANUEKV-UHFFFAOYSA-N
rxn:4:185381:224877,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(COC4CCCCC4)cc3)cc(C(F)(F)F)c2)C1,WCIMWNWNDCZZDZ-UHFFFAOYSA-N
rxn:4:185382:223594,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(F)(F)F)CC1,XGUVPBSOBKIQDQ-UHFFFAOYSA-N
rxn:4:185382:226567,COC(=O)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,YHQHDMCOILSHPA-UHFFFAOYSA-N
rxn:4:185383:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1,VVOOOJHNMXWAIN-UHFFFAOYSA-N
rxn:4:185383:223382,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(NC4CC4)nc3)cc(C(F)(F)F)c2)CC1,YWKAZELEUPOFHM-UHFFFAOYSA-N
rxn:4:185386:225829,CC1CCN(c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)cn2)CC1,GKJDJFXIXMNPHO-UHFFFAOYSA-N
rxn:4:185405:226267,COCCOc1ccc(C)cc1-c1cc(C2CC2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,PGSGMPHPQDJZLG-UHFFFAOYSA-N
rxn:4:185407:226755,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c(Cl)cc1F,HZOZURMVLINEAE-UHFFFAOYSA-N
rxn:4:185408:225218,CC1CCCN(c2ncc(-c3ccc(C4CC4)c(C4CCN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)C1,ZXEXWKKHYYYXQN-UHFFFAOYSA-N
rxn:4:185408:226655,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cc(Cl)cnc3N3CCCC3)ccc2C2CC2)C1,KWYGBJBISKEROM-UHFFFAOYSA-N
rxn:4:185414:225895,COCCOc1cc(-c2cc(Cl)cc(C)c2OC2CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1F,PXFIAGCXWUOMKJ-UHFFFAOYSA-N
rxn:4:185422:225829,CC1CCN(c2ncc(-c3ccc(C4CN(C(=O)OC(C)(C)C)CCO4)c(C4CC4)c3)cn2)CC1,UMPVAPCJXOPXGC-UHFFFAOYSA-N
rxn:4:185423:223668,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)cc(C3CC3)c2)C1,HYKMTBSHCFGFPD-UHFFFAOYSA-N
rxn:4:185430:222982,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc(C(F)(F)F)c1,FNUNCSBZSWJGLO-MMTWIKPJSA-N
rxn:4:185430:223933,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,FOYBVDPHOIVGRE-UHFFFAOYSA-N
rxn:4:185503:223809,C[Si](C)(C)CCOCn1ccc2cc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)ccc21,MSFMUONJMDKCOS-UHFFFAOYSA-N
rxn:4:185660:223606,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)no1,YLKGTOZFPOZFHL-UHFFFAOYSA-N
rxn:4:186346:223528,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WSKISKUXSLDELP-UHFFFAOYSA-N
rxn:4:186346:223823,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,OLOIVGKPEJLPHL-UHFFFAOYSA-N
rxn:4:186547:223596,CCN(CC)Cc1cccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,SITDGDVRMIGMKI-UHFFFAOYSA-N
rxn:4:186874:223786,CN1CCN(CCCOc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2Cl)CC1,NUSIRLIYTZRFPR-UHFFFAOYSA-N
rxn:4:186874:223810,Cc1cc(-c2ccc(OCCN3CCOCC3)cc2F)cc(C)c1S(=O)(=O)N1CCC(C)CC1,OAEISKMLTZAFGI-UHFFFAOYSA-N
rxn:4:186874:224180,CN1CCN(CCOc2ccccc2-c2ccc(OCCN3CCOCC3)cc2F)CC1,LOZXBBMMVWEPAA-UHFFFAOYSA-N
rxn:4:186922:225827,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(OC(F)(F)F)c3)ccn2)CC1,ISJDUSMHKNOKLY-UHFFFAOYSA-N
rxn:4:187074:224617,COC(=O)c1ccc(-c2ccc(OCCN3CCCC3)c(Cl)c2)cc1CN1CCOCC1,HQVYEQGKSQBUSC-UHFFFAOYSA-N
rxn:4:187090:226686,COC(=O)C1CC(C#N)(c2cccc(-c3c(C)cnn3C3CCCCO3)c2)CCC1=O,BAGZQUGCFAELFH-UHFFFAOYSA-N
rxn:4:187184:224617,COC(=O)C1CCN(Cc2cccc(-c3ccc(OCCN4CCCC4)c(Cl)c3)c2)CC1,LGIZQWGJSQNJOU-UHFFFAOYSA-N
rxn:4:187213:223588,Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,YSUCWXOPUJVWSO-UHFFFAOYSA-N
rxn:4:187222:223880,Cc1ccc2c(c1)cc(-c1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)C1)n2C(=O)OC(C)(C)C,CVBWWTDZBSLRFX-UHFFFAOYSA-N
rxn:4:187250:223810,COC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c(CN2CCCC(F)(F)C2)c1,DVLCKQYVGPURIA-UHFFFAOYSA-N
rxn:4:187300:224589,CC1CCN(CCOc2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2Cl)CC1,XXZAEPHGFRGGKJ-UHFFFAOYSA-N
rxn:4:187311:224089,CC1CCN(CCOc2ccc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C)C3)cc2)CC1,ANTMXLKGDAINDB-UHFFFAOYSA-N
rxn:4:187327:226535,COC(=O)c1cc(OC)cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)c1,FXSIZZAPDIXCSN-LJQANCHMSA-N
rxn:4:187374:225525,CCOC(=O)CCc1ccccc1-c1cccc(S(=O)(=O)CC(=O)N2CCC(C)CC2)c1,AXOUIAFFFRSZHB-UHFFFAOYSA-N
rxn:4:187406:222827,Cc1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)ccc1OCC(=O)N1CCC(C)CC1,WQXXFBKEXDGBII-UHFFFAOYSA-N
rxn:4:187415:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)o1,RNLGLZSLKNIINC-UHFFFAOYSA-N
rxn:4:187445:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)c2)CC1,CXYSVWSOVZPTGA-UHFFFAOYSA-N
rxn:4:187445:225810,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(F)c2)c(C2OCCO2)c1,CCPODBDNVRMMPN-UHFFFAOYSA-N
rxn:4:187483:222847,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(C#N)cc(C3CCCNC3)c2)c(OC)c1,BUJKKKZEIYGOKR-UHFFFAOYSA-N
rxn:4:187488:224760,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,DNHVWVQGAZEDQA-UHFFFAOYSA-N
rxn:4:187492:222812,CC(C)(C)OC(=O)Nc1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cnc1Cl,ADQXGUICABZSEN-UHFFFAOYSA-N
rxn:4:187493:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)CC1,DAICKTIJCYDSJA-UHFFFAOYSA-N
rxn:4:187557:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)cc2F)CC1,IJJKTUDSEVYXKA-AREMUKBSSA-N
rxn:4:187573:223499,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,UQLYPQYESXLZEF-UHFFFAOYSA-N
rxn:4:187578:223939,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)ccc1C1CCN(C(=O)OC(C)(C)C)C1,LAZIFGRBCZWFHZ-UHFFFAOYSA-N
rxn:4:187578:224719,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)C1,VBCCDJQOZKFNSX-UHFFFAOYSA-N
rxn:4:187580:222944,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)o1,IROMSTQWGMBFOU-UHFFFAOYSA-N
rxn:4:187580:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2C)o1,CVTJJSYLCOSMFK-UHFFFAOYSA-N
rxn:4:187582:224180,CN1CCN(CCOc2ccccc2-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,YBNVLPNUNLTJQX-UHFFFAOYSA-N
rxn:4:187586:225829,CC1CCN(c2ncc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)cn2)CC1,VIQWBPKCYZFITC-UHFFFAOYSA-N
rxn:4:187589:226773,COC(=O)c1c(Cl)ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2F)c1F,DYJUADADMJAQJS-UHFFFAOYSA-N
rxn:4:187592:223770,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cc4c(C#N)cccc4n3C(=O)OC(C)(C)C)c2)CC1,XFLXKCUSRKFGFD-UHFFFAOYSA-N
rxn:4:187594:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,QAFUNUIMHDUCNM-UHFFFAOYSA-N
rxn:4:187595:223933,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)CC1,JAJPLMNFOWSHSN-UHFFFAOYSA-N
rxn:4:187626:223952,CCOc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,RYEFWOHBYXMRBJ-UHFFFAOYSA-N
rxn:4:187631:223562,CC(C)(C)OC(=O)N1CCC(=Cc2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,QCJNQENKNKBUSN-UHFFFAOYSA-N
rxn:4:187639:223503,Cc1ccc(N(C(=O)c2ccccc2-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C2C=CS(=O)(=O)C2)cc1C,YQWQLZVRCAUUEL-UHFFFAOYSA-N
rxn:4:187655:224885,CC1CCN(Cc2ccccc2-c2cc(CN(C)C3CCCC3)cc(C(C)(C)C)c2)CC1,MDFSNDXTPGVVOQ-UHFFFAOYSA-N
rxn:4:187659:223904,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,LYWUWLVQJGSHHI-UHFFFAOYSA-N
rxn:4:187664:223525,Cc1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,MDSKPNWLCUKTSK-UHFFFAOYSA-N
rxn:4:187668:226275,Cc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cnc1OCC(C)C,USIDNQLPJKWKGH-UHFFFAOYSA-N
rxn:4:187670:223387,CCOC(=O)c1cc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)[nH]n1,QPOGGENIIAUIPY-UHFFFAOYSA-N
rxn:4:187822:222929,CC(C)(C)OC(=O)CN1Cc2cc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)ccc2C1=O,OXCGAMUJIFYUBE-UHFFFAOYSA-N
rxn:4:187822:223520,CC(c1ccc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,COHIGYUCSLMUTH-UHFFFAOYSA-N
rxn:4:187920:223999,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,ZLSIPRAJTVQIDD-UHFFFAOYSA-N
rxn:4:187944:224962,c1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(COC2CCOCC2)c1,KCEYKRADISHHKC-UHFFFAOYSA-N
rxn:4:187944:225125,Fc1ccc(OCC2CCOC2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,PBMAHMCGRODQCN-UHFFFAOYSA-N
rxn:4:187944:225515,CC1(C)COc2cccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)c2OC1,VCTVWXIOYWXJSU-UHFFFAOYSA-N
rxn:4:187944:226085,CC1(C)CCc2cc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)ccc2O1,BSWJDKJHJSAHOF-UHFFFAOYSA-N
rxn:4:188427:223606,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1[N+](=O)[O-],WNSACTJIJJCJFC-UHFFFAOYSA-N
rxn:4:188432:223539,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1[N+](=O)[O-],CBAJZWOZRKOKLZ-UHFFFAOYSA-N
rxn:4:188459:223695,COC(=O)c1cc([N+](=O)[O-])c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1Cl,QUJUDVJVDJVDEA-UHFFFAOYSA-N
rxn:4:188605:223504,CCOc1c(F)ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1[N+](=O)[O-],YXKNOPOYYXEACM-UHFFFAOYSA-N
rxn:4:188835:223497,CC(c1ccc(-c2cc(OCC3CCO3)ccn2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,OFVGCHWRFHCGQO-UHFFFAOYSA-N
rxn:4:188924:223696,COC(=O)c1ccc(S(N)(=O)=O)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,FJBBKWSPFFEDGE-UHFFFAOYSA-N
rxn:4:188928:223576,COc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=N)(=O)C(F)(F)F,TZBBUXNCXCOYFY-UHFFFAOYSA-N
rxn:4:189164:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)CN2C(=O)CSC2=O)cc1,ZVEQXABVWTZYNL-UHFFFAOYSA-N
rxn:4:189167:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,HZMBKUOVPFIQDZ-UHFFFAOYSA-N
rxn:4:189215:223695,O=C(ON1C(=O)CCC1=O)c1cc(F)cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,UNEUDJBETDDKOR-UHFFFAOYSA-N
rxn:4:189216:224755,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(C(=O)N3CCOCC3)ccc2F)cc1F,PEXXIHTVERFMMU-UHFFFAOYSA-N
rxn:4:189450:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N(C)C2CC2)cc1F,ZSZOQAOJPXUHOG-UHFFFAOYSA-N
rxn:4:189603:224750,Cc1cccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1C(=O)ON1C(=O)CCC1=O,YGQWNSHBUDYIHP-UHFFFAOYSA-N
rxn:4:189765:223602,CN(C(=O)c1c(F)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1F)c1ccccc1F,QXRIBXLFTAUPAF-UHFFFAOYSA-N
rxn:4:189766:225899,Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)n(C(=O)OC(C)(C)C)n1,MITPGQUVXYZKFQ-UHFFFAOYSA-N
rxn:4:189846:224330,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)CN4C(=O)CCCC4=O)cc3)ccc2Cl)CC1,CROIAZQCOSEACH-UHFFFAOYSA-N
rxn:4:189866:222855,COc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)cc(C2CCCNC2)c1,GREWAZVWQUKQNJ-UHFFFAOYSA-N
rxn:4:189921:224371,COC(=O)c1c(C2CCOCC2)ccnc1-c1cnc(N2CCC(C(=O)OC)CC2)nc1,JUUAFHGESICJNM-UHFFFAOYSA-N
rxn:4:189973:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1,KUGREPCKLNCREB-UHFFFAOYSA-N
rxn:4:190124:224375,COC(=O)c1nc(C2CCCCC2)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,XRDHNCGHNDQALA-UHFFFAOYSA-N
rxn:4:190136:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C3CCN(CC(F)(F)F)CC3)cc2)CC1,BYFYSNJLHCNUHF-UHFFFAOYSA-N
rxn:4:190219:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Oc3ccccc3C(C)(C)C)nc2)CC1,NUWRGQDATHYNGT-UHFFFAOYSA-N
rxn:4:190221:223503,COc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)ccc1CN1CCC(F)(F)CC1,JCGRTSKVSZMDGU-UHFFFAOYSA-N
rxn:4:190238:224182,COC1CCN(S(=O)(=O)c2cc(-c3ccc(OCCN4CCOCC4)c(C)c3)c(F)cc2F)CC1,PTLCSJPAAHWMBA-UHFFFAOYSA-N
rxn:4:190238:224704,COC1CCN(S(=O)(=O)c2cc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)c(F)cc2F)CC1,KAASLECFZLGVDX-UHFFFAOYSA-N
rxn:4:190249:224356,CC(C)(C)OC(=O)n1c(-c2cccc(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc2sc(Cl)cc21,IUMCBBCAVGRSMZ-UHFFFAOYSA-N
rxn:4:190271:224291,CC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,LNPRGJARBXWMJI-UHFFFAOYSA-N
rxn:4:190271:224481,CC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(OCCCN3CCCC3)cc2)CC1,IRCSZJNKYZOAOH-UHFFFAOYSA-N
rxn:4:190365:223814,COC1CCN(Cc2ccc(C)cc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,JVVCUMHPDLDKKT-UHFFFAOYSA-N
rxn:4:190408:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])cc2)CC1,FDCDYEAZEPAVAH-UHFFFAOYSA-N
rxn:4:190445:223952,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1,NXXFZTWLTKWZFU-UHFFFAOYSA-N
rxn:4:190462:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCN3CC3CCOCC3)cc2)c(Cl)c1,IQRNWIRSXWTCOZ-UHFFFAOYSA-N
rxn:4:190465:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSC(c5ccccc5)CC4)cc3)cc2)CC1,UZQIWGWBYQDILW-UHFFFAOYSA-N
rxn:4:190470:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(CN3CCCCC3)cc(C(C)(C)C)c2)CC1,RJLRGCZRJHXQEK-UHFFFAOYSA-N
rxn:4:190663:224017,CCOC(=O)C1CCc2nc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)sc2C1,ZPIHLWHEIIMOAC-UHFFFAOYSA-N
rxn:4:190823:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4=O)c2)CC1,XXYJXUGQCOSDCH-UHFFFAOYSA-N
rxn:4:190857:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)CC1,MZBXXNHWUGPXHX-UHFFFAOYSA-N
rxn:4:190857:223646,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)sc2C1,YVCCUDAVPJONEI-UHFFFAOYSA-N
rxn:4:190869:225368,CC(C)(C)OC(=O)N1C(=O)COc2ccc(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)cc21,YJIHGNQKEMVNSA-UHFFFAOYSA-N
rxn:4:190930:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O,CIXOECDSGWDGKE-UHFFFAOYSA-N
rxn:4:190931:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)C(=O)CCN3C(=O)OC(C)(C)C)c(Cl)cn1,RFCSWFBHDWIVTR-UHFFFAOYSA-N
rxn:4:191043:225952,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cnc(N5CCOCC5)nc4C)ccc3C2=O)CC1,GHYGNRFBYGXWRU-IRJFHVNHSA-N
rxn:4:191043:226643,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccc(N5CCOCC5)nc4)ccc3C2=O)CC1,YCDLKKGJLOQTPT-CYWCHRQTSA-N
rxn:4:191055:224022,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2C2(CC2)C1,ZMFOTYFSGKFXCJ-UHFFFAOYSA-N
rxn:4:191063:222971,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc(NC(=O)C(C)(C)C)cc4)cc3O2)C1,WCQKTXDFOPUKBU-UHFFFAOYSA-N
rxn:4:191069:225718,COC(COc1cccc(-c2cc(F)c3c(c2)N(CCC2CCCCC2)CCO3)c1)OC,KTHTWPCLDNAOLM-UHFFFAOYSA-N
rxn:4:191099:222432,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc1C2=O,XCWRGXPFKXPKTC-UHFFFAOYSA-N
rxn:4:191104:223931,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc12,UXOUYTOTWYLKKX-UHFFFAOYSA-N
rxn:4:191116:226502,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccn(C(=O)OC(C)(C)C)c3)ccc12,VBFPRSPZDSORKZ-UHFFFAOYSA-N
rxn:4:191117:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc4c3C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cn2)CC1,VUTGLURGCYUKLC-UHFFFAOYSA-N
rxn:4:191123:225909,CCOc1ccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1,IGHXQZQGOANLME-UHFFFAOYSA-N
rxn:4:191129:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCC3(CCN(C(=O)OC(C)(C)C)CC3)O4)cc2F)CC1,DCXORPUMTXNVQQ-UHFFFAOYSA-N
rxn:4:191129:223683,CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)ccc3O2)CC1,BKJGVTMMYVRWMK-UHFFFAOYSA-N
rxn:4:191206:223307,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccc5c(c4)CCNC5)c3)C3=C(CCCC3=O)N1CC2,LIHHHHBLJSOLRO-UHFFFAOYSA-N
rxn:4:191415:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(F)c(C(=O)C(F)(F)F)c3)cc21,YWKUWPZCNHVLLO-UHFFFAOYSA-N
rxn:4:192511:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccnc(OC4CCOC4)c3)c2)CC1,JBIGDOFZMUHFSN-UHFFFAOYSA-N
rxn:4:193172:223753,Cc1ccc(-c2ccoc2CN2CCC(F)CC2)cc1OCCCN1CCN(C)CC1,ALAAXYAAQOKFPF-UHFFFAOYSA-N
rxn:4:193382:224394,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1,HERZPTJEKICGFL-UHFFFAOYSA-N
rxn:4:193464:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C3(C#N)CCCCC3)c(Cl)c2)cc1F,XVCSRDMKEBLZTD-UHFFFAOYSA-N
rxn:4:193631:222722,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,QBKQAYHMNBSQKX-UHFFFAOYSA-N
rxn:4:193745:223992,Cc1ccc(-c2cc(C3CC3)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,KFJSMUUWTMDUAY-UHFFFAOYSA-N
rxn:4:193814:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCC(C)CC2)cc1F,PAXTVKLEKZRJMY-UHFFFAOYSA-N
rxn:4:193881:224691,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)N3CC4(COC4)C3)cc2)CC1,MUWJKYSRYJMYBN-UHFFFAOYSA-N
rxn:4:193971:222903,COCCNC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c(Cl)c1,ZJLBROCGBKGCFR-UHFFFAOYSA-N
rxn:4:193973:225371,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cnc1C(F)(F)F,OGMOABMXVIQUCB-UHFFFAOYSA-N
rxn:4:193974:224830,O=S(=O)(c1cccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)c1)N1CCC2(CC1)OCCO2,OBKZHSNZPISGMF-UHFFFAOYSA-N
rxn:4:193974:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,WPOPWCLCFQJKMO-UHFFFAOYSA-N
rxn:4:193994:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1C,KKETWROHXWKOHT-UHFFFAOYSA-N
rxn:4:193999:223699,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c(S(=O)(=O)N2CCC(C)CC2)cc1C,JOJIERDQBLTWRQ-UHFFFAOYSA-N
rxn:4:193999:224161,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(S(=O)(=O)N2CCC(C)CC2)cc1C,DFNZZFMJXDWFLQ-UHFFFAOYSA-N
rxn:4:194712:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)cc2Cl)CC1,VFXJZXZIQOXFIG-UHFFFAOYSA-N
rxn:4:194736:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCC(C)C5)cc4c3)c2)CC1,MHVATWBADGYHFP-UHFFFAOYSA-N
rxn:4:194736:224190,COc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCC(C)C4)cc3c2)cc1O[Si](C)(C)C(C)(C)C,VMOHGKKCVRZMKG-UHFFFAOYSA-N
rxn:4:194819:223502,CC(C)Cn1c2c(c3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc31)CCCC2,AHTUCGFIZVZLOB-UHFFFAOYSA-N
rxn:4:197803:223696,CC(C)N1Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2OC1=O,XHNFWAQXAZGSCM-UHFFFAOYSA-N
rxn:4:197978:222589,OC1CCN(CCOc2ccc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc2Cl)CC1,RRZXKVWNJKJTFM-UHFFFAOYSA-N
rxn:4:197978:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)CCCC2N1CCCC(F)(F)C1,KFGCFAJMHNJTPR-UHFFFAOYSA-N
rxn:4:197986:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc4c3CCCC4N3CCCCC3C)c(F)c2)CC1,IJGBVYUXOIUNAO-HOFMNPQRSA-N
rxn:4:197987:224634,COc1ccc(-c2cccc3c2CCCC3N2CCCC(C)C2)cc1CN1CCOCC1,BVPPTVLLXHDECJ-UHFFFAOYSA-N
rxn:4:197988:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc4c3CCCC4N3CCC(C)CC3)c2)CC1,ZXKGEZOGCCWXMZ-UHFFFAOYSA-N
rxn:4:197988:224633,COc1ccc(CN2CCOCC2)cc1-c1cccc2c1CCCC2N1CCC(C)CC1,AFPSOBQYWYVGNI-UHFFFAOYSA-N
rxn:4:199453:223970,CCOC(=O)Cc1c(C#N)ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1[N+](=O)[O-],XEZXIMIZYYBJGR-UHFFFAOYSA-N
rxn:4:199557:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1,MRAAOXPTJJBNNB-UHFFFAOYSA-N
rxn:4:199557:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cc21,REQMQPCCMQXMRV-UHFFFAOYSA-N
rxn:4:199644:223572,CCN1CCN(CCCOc2c(F)cccc2-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)CC1,UXBYSUPVYPITQX-UHFFFAOYSA-N
rxn:4:199649:224392,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,UIWWKEGLYBXIAG-UHFFFAOYSA-N
rxn:4:199650:223648,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,YWKCIFUKGISTIB-UHFFFAOYSA-N
rxn:4:199650:224161,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,KUBTWCKYAWZWDG-UHFFFAOYSA-N
rxn:4:199691:224423,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc([C@H]2CC[C@H](CCC)CC2)cc1,YDLXYPRJLITSNT-SOAUALDESA-N
rxn:4:199691:227352,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(C)ccc1C(=O)OC,UIOISPAOXUXMPU-UHFFFAOYSA-N
rxn:4:199692:223184,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCNCC4)nc3)cc2C#N)CC1,VWPWCTMTKNPCCR-UHFFFAOYSA-N
rxn:4:199705:225348,CCN1CCN(CCCOc2cc(-c3cc(C(F)(F)F)ccc3C(=O)OC)ccc2C)CC1,NROLGDBVYUTVCO-UHFFFAOYSA-N
rxn:4:199707:223904,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)n2)C1,JSQVQNVWSDAUCB-UHFFFAOYSA-N
rxn:4:199709:224279,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)n2)CC1,IPKXQTVXBOYJMS-UHFFFAOYSA-N
rxn:4:199709:225218,CC1CCCN(c2ncc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2Cl)C1,GYOWGCAPLDILSX-UHFFFAOYSA-N
rxn:4:199711:223556,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)nc2)C1,CWHATUWQUNQYHU-UHFFFAOYSA-N
rxn:4:199713:227408,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C2CCC2)ncc1F,VHAIQLJELSQXQQ-UHFFFAOYSA-N
rxn:4:199714:224269,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cn2)CC1,XTVGSKRQJYLSOI-UHFFFAOYSA-N
rxn:4:199719:227910,CCC(C)c1ccc(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,LJJLDVXZKKVEJJ-UHFFFAOYSA-N
rxn:4:199726:222929,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc(C#N)c2F)CC1,UGPRPCWEIVHLMY-UHFFFAOYSA-N
rxn:4:199741:227091,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3cncc(C4CCCC4)c3)c2)CC1,KFFGLOQCUQXZKM-UHFFFAOYSA-N
rxn:4:199743:224157,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1,YZIIPQSRUQAHEQ-UHFFFAOYSA-N
rxn:4:199743:224277,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2-c2ccnc3c2ccn3C(=O)OC(C)(C)C)CC1,ZAADQVHBRYETOA-UHFFFAOYSA-N
rxn:4:199743:226290,CC(C)OC(=O)c1cccc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,XYYFQTLBSNWFFU-UHFFFAOYSA-N
rxn:4:199764:223562,COC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,LMXWLQXYICKMKD-UHFFFAOYSA-N
rxn:4:199769:223493,COc1cc(Cl)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RJYSITQBXSGUQH-UHFFFAOYSA-N
rxn:4:199769:223589,COc1cc(Cl)c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RUWACJNGOAGWRE-UHFFFAOYSA-N
rxn:4:199778:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,UMHLLZWFKIBPTA-UHFFFAOYSA-N
rxn:4:199784:228099,CCN(C)c1cncc(-c2ccc(OC)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,SQJBKAPWLQTDGG-UHFFFAOYSA-N
rxn:4:199784:228146,CCc1cncc(-c2ccc(OC)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1OC,ORWLXWQYAKDTSJ-UHFFFAOYSA-N
rxn:4:199785:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1C,ATKWHWXQAVOQNH-UHFFFAOYSA-N
rxn:4:199786:223387,CCOC(=O)c1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)[nH]n1,QXMPTOUXPNWYMP-UHFFFAOYSA-N
rxn:4:199787:225210,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCC(C)CC3)nc2C)cc1[N+](=O)[O-],LVDCRXJLUVFUJG-UHFFFAOYSA-N
rxn:4:199790:223250,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)NC(=O)CO2,CFOGBMPLUOHNAO-UHFFFAOYSA-N
rxn:4:199790:223636,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,HZKCFCNAEPAGDY-UHFFFAOYSA-N
rxn:4:199790:223699,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,IGALWSVRWQCIPK-UHFFFAOYSA-N
rxn:4:199791:226421,COc1ccc(-c2ccc(Cl)cc2N2CCCC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XOXYFOSYRDOKAN-UHFFFAOYSA-N
rxn:4:199818:222803,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,SBYMVYCLNKQXDM-UHFFFAOYSA-N
rxn:4:199818:224991,CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C2CC2)nc(N2CCCC2)c1,PEIGQEWFARJDAX-UHFFFAOYSA-N
rxn:4:199828:222812,CN(Cc1c(Cl)cccc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1,HWTHIWOIYMVNMM-UHFFFAOYSA-N
rxn:4:199830:223648,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1Cl,XUGHDOXAJMUFHC-UHFFFAOYSA-N
rxn:4:199830:224160,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)ccc1Cl,GBGWLFWKAPHZPH-UHFFFAOYSA-N
rxn:4:199835:222948,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,AZURBVIBYJWTGM-UHFFFAOYSA-N
rxn:4:199835:223592,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1,UHMWEVTYQYPJRI-UHFFFAOYSA-N
rxn:4:199835:225758,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccncc2C(=O)OC(C)(C)C)c1,DKPDVSYIVPNUSA-UHFFFAOYSA-N
rxn:4:199839:223775,COc1ccc2c(c1)c(-c1ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1OC)cn2C(=O)OC(C)(C)C,JMYVOCMFDAJZNC-HXUWFJFHSA-N
rxn:4:199839:223941,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C,GWTDMGSWYHYKTA-LJQANCHMSA-N
rxn:4:199846:223058,CCOc1ccc(-c2cc(F)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,XGORWPAORXFWEK-UHFFFAOYSA-N
rxn:4:199863:226177,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccnc(C2CCCCC2)c1,ALEOXLRVMPPHNO-UHFFFAOYSA-N
rxn:4:199865:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C[C@@H]4c4ccc(Cl)cc4)cc3)c2)CC1,MSBDDSUCOAUCHD-JGCGQSQUSA-N
rxn:4:199876:222389,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,LEJVDIGBPBKPIB-UHFFFAOYSA-N
rxn:4:199883:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)cc2[N+](=O)[O-])CC1,IBMBTJDTTZRQPI-UHFFFAOYSA-N
rxn:4:199883:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(C(=O)C2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,RGBXCJFALPMHAP-UHFFFAOYSA-N
rxn:4:200026:222856,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cc(C5CCNCC5)ccc4OC)cc3)C(=O)N2C1c1ccc(OC)cc1,FJACTUVCNVXPOI-UHFFFAOYSA-N
rxn:4:200054:225810,COc1ccc(-c2ccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCCN(C)C)cc2)c(C2OCCO2)c1,VVSYYADUQIDVEK-UHFFFAOYSA-N
rxn:4:200175:223696,COC(=O)CCN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,BXUZEMKQOJLUSY-UHFFFAOYSA-N
rxn:4:200232:223748,C[Si](C)(C)CCOCn1cc(Cl)nc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,OSWORLYULRFVDI-UHFFFAOYSA-N
rxn:4:200331:222584,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2)C1,NFLYOZBZZNWHGU-UHFFFAOYSA-N
rxn:4:200355:225832,COC(=O)c1cc(-c2c(C)nn(C3CCCCO3)c2C)nn1CCC1CCCCC1,LCWDFYUXEOCBRJ-UHFFFAOYSA-N
rxn:4:200357:224291,CC1CN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCCN3CCOCC3)c(F)c2)CCO1,GAAMUKXGGHOFNU-UHFFFAOYSA-N
rxn:4:200369:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C#N)ccc3C3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)CC1,FSEIYBCTTOHJGE-UHFFFAOYSA-N
rxn:4:200370:224158,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)ccc2C#N)C1,DQOBUGYCCFDNKP-UHFFFAOYSA-N
rxn:4:200371:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2Cl)CC1,FHEWTQHNKBOUEB-UHFFFAOYSA-N
rxn:4:200384:222842,O=C(NC1CCCC1)c1cccc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)c1,XEVBAKQFSZWNBH-UHFFFAOYSA-N
rxn:4:200474:225984,CC(C)(C)OC(=O)N1CCC(Oc2nc(-c3cnc(Cl)c(N4CCOCC4)c3)cs2)CC1,PGMGQRJGVKRGNV-UHFFFAOYSA-N
rxn:4:200477:223556,COc1ncc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,VWHNKAPEBDXUPT-UHFFFAOYSA-N
rxn:4:200479:222611,COCCN1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)c2)CC1,XKNNEXOKWJDPOO-UHFFFAOYSA-N
rxn:4:200555:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1cccc(CC2CCN(C(=O)OC(C)(C)C)C2)n1,FBPBYLYGQLTVPY-UHFFFAOYSA-N
rxn:4:200557:223992,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,FEAGDVVQZPLSMD-UHFFFAOYSA-N
rxn:4:200559:223498,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)co2)CC1,JADFMLKDUFJKRZ-UHFFFAOYSA-N
rxn:4:200559:223646,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)co2)CC1,FCCJCWDZDRWVNF-UHFFFAOYSA-N
rxn:4:200561:223688,CCN1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OC)cc2C(=O)OC)CC1,ZHFLPYRGKAESBZ-UHFFFAOYSA-N
rxn:4:200575:225877,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3N3CCOCC3)c(C(F)(F)F)n2)C1,GSNOBRVGTARPMH-UHFFFAOYSA-N
rxn:4:200600:223493,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,OOGPHIAWSPRUOX-UHFFFAOYSA-N
rxn:4:200603:222812,CC(C)(C)OC(=O)Nc1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,YFUPDSOJKWODOU-UHFFFAOYSA-N
rxn:4:200603:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cncc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YIDINUDGLLWDQS-UHFFFAOYSA-N
rxn:4:200604:222504,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccc(F)c(C(=O)NCc4ccc(F)cc4)c3)c2)C1,KWUNBBLJLAJISW-HSZRJFAPSA-N
rxn:4:200604:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1,VNXRZIBQMXOJCM-GOSISDBHSA-N
rxn:4:200605:223532,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,AUCAGSKOMXLBIV-UHFFFAOYSA-N
rxn:4:200607:224274,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cc3cnccc3n2C(=O)OC(C)(C)C)CC1,PTNRMXSMTTULDC-UHFFFAOYSA-N
rxn:4:200608:224277,COc1ncc(-c2ccnc3c2ccn3C(=O)OC(C)(C)C)cc1C1CCN(C(=O)OC(C)(C)C)C1,CCWVNIVDQMOIBF-UHFFFAOYSA-N
rxn:4:200608:224278,COc1ncc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,HMHABMRFIYSONU-UHFFFAOYSA-N
rxn:4:200634:224825,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1-c1cc(C(=O)N(C)OC)cc([N+](=O)[O-])c1,HCCUGZYKBKJMJG-UHFFFAOYSA-N
rxn:4:200643:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(Cl)cn1,JUVLDDPOVDTKMH-UHFFFAOYSA-N
rxn:4:200649:224290,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,VXBUJAUZLRKHHX-UHFFFAOYSA-N
rxn:4:200654:223121,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3ccc(C(=O)NC4CC4)cc3)c2)C1,SCUNJHMWKSWMSJ-UHFFFAOYSA-N
rxn:4:200657:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C#N)cc2F)CC1,RIWOITFHYNDXQD-UHFFFAOYSA-N
rxn:4:200657:223581,COC(=O)c1cccc2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C#N)n(C(=O)OC(C)(C)C)c12,XDIFSAXLWSKQJL-UHFFFAOYSA-N
rxn:4:200657:223931,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)C1,UQHFIDVLLHGSBL-UHFFFAOYSA-N
rxn:4:200657:224120,Cc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C#N)ccc1CO[Si](C)(C)C(C)(C)C,PCASGRZYHNJFOA-UHFFFAOYSA-N
rxn:4:200657:226716,CC(C)(C)OC(=O)N1CCCC(c2ccc(C#N)c(-c3ccn(C(=O)OC(C)(C)C)n3)c2)C1,XCVPXTQEGKMBIA-UHFFFAOYSA-N
rxn:4:200692:225984,CC(C)(C)OC(=O)CN1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)CC1,CIDUQMYADVUEKI-UHFFFAOYSA-N
rxn:4:200695:223189,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)CC1,ALKJZXSNODOIGX-UHFFFAOYSA-N
rxn:4:200698:224886,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)cc2)ccc1CN1CCN(C(C)C)CC1,OURBWFHDPQPURC-UHFFFAOYSA-N
rxn:4:200702:223934,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)CC1,SETJFSZIZAFEOM-UHFFFAOYSA-N
rxn:4:200706:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,JNFOCBQRFFPSBW-UHFFFAOYSA-N
rxn:4:200709:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,MRGSISMJAFSHLZ-UHFFFAOYSA-N
rxn:4:200720:222846,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)CC1,HLLSTGBNRXNPNY-UHFFFAOYSA-N
rxn:4:200721:226502,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccn(C(=O)OC(C)(C)C)c3)c2)CC1,GJEYXQNWUFQFGP-UHFFFAOYSA-N
rxn:4:200724:223886,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,AGOXRNPOGNWZOC-UHFFFAOYSA-N
rxn:4:200727:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,LAYWAHPMNQDMJF-UHFFFAOYSA-N
rxn:4:200727:226897,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)F)nc3)cc2F)CC1,QRYNXXSLWGRBAD-UHFFFAOYSA-N
rxn:4:200730:226201,CC(C)n1cc2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)ccc2n1,QYRKEQLWLDWUPT-UHFFFAOYSA-N
rxn:4:200740:225519,CCOC(=O)CCc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)cc1,MRVQJWXFCREHIB-UHFFFAOYSA-N
rxn:4:200760:225232,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(Cl)c(N2CCC(C)CC2)c1,VUCRYSMFBGPEHO-UHFFFAOYSA-N
rxn:4:200763:226413,COc1ncc(-c2cccc(N3CCOCC3)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,GMZBBZFYNBCRJB-UHFFFAOYSA-N
rxn:4:200772:224318,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc2F)CC1,OFHLYQJQOLGAPF-UHFFFAOYSA-N
rxn:4:200797:222522,CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCC(O)CC2)c1,SFIIQUNAJSHQQU-UHFFFAOYSA-N
rxn:4:200823:224272,Cc1cc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NIDSBJPGJROTGY-UHFFFAOYSA-N
rxn:4:200824:223507,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LKASGAQBVCGPFX-UHFFFAOYSA-N
rxn:4:200824:224624,Cc1ccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MDBLYLOLGGBSPK-UHFFFAOYSA-N
rxn:4:200825:223508,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,MGQLHIQKDAVPRN-UHFFFAOYSA-N
rxn:4:200826:226773,COC(=O)c1c(Cl)ccc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,YUSQBDZKBBPROV-UHFFFAOYSA-N
rxn:4:200828:223575,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F,KWRKHGOLONSBRS-UHFFFAOYSA-N
rxn:4:200828:225819,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2cc(C(F)(F)F)ccc2C2CC2)c(F)cc1F,QZDQBSWAVHDKMA-UHFFFAOYSA-N
rxn:4:200828:226420,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(F)c(N3CCCC3)c2)c(F)cc1F,BEVOPHAKDJKFLL-UHFFFAOYSA-N
rxn:4:200832:222465,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,CTNBDMUBFQOJLE-UHFFFAOYSA-N
rxn:4:200832:223142,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccc(C2CCCNC2)nc1,YQYIAYIMFQIURN-UHFFFAOYSA-N
rxn:4:200832:224597,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cc(C2CC2)cc(N2CCOCC2)c1,RXJOCZKZULOANM-UHFFFAOYSA-N
rxn:4:200839:227076,CCC(C)c1ccc(F)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2OC)c1,GZFYPRMLBDFKAU-UHFFFAOYSA-N
rxn:4:200844:223012,COC(=O)c1cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)c3)ccc2[nH]1,WXHKYHNXUWNYKV-UHFFFAOYSA-N
rxn:4:200844:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)c3)cn2)CC1,RVKYUHBDXYVVMB-UHFFFAOYSA-N
rxn:4:200866:223931,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)c1,INUQQGQKNGQABU-UHFFFAOYSA-N
rxn:4:200871:224052,CCCc1ccc(-c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c(F)c2)cc1,APTQFRZWHBEALW-UHFFFAOYSA-N
rxn:4:200882:227991,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(Cl)cc3C3CC3)c1)C2,KLZGRGWTQCTTOF-UHFFFAOYSA-N
rxn:4:200883:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CC1,JHTJAVSKIUZPBJ-UHFFFAOYSA-N
rxn:4:200884:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)cc1,WRTIQLXTYIANAB-UHFFFAOYSA-N
rxn:4:200884:227991,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(Cl)cc3C3CC3)cc1)C2,ZUAHEENXDUXWSC-UHFFFAOYSA-N
rxn:4:200887:224321,COc1ccccc1C1CC(c2ccc(-c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,NGNLSTZRPJVUSL-UHFFFAOYSA-N
rxn:4:200891:222846,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(C4CCCNC4)ccc3C#N)cc2C)CC1,QSQNGYOHZBVENA-UHFFFAOYSA-N
rxn:4:201109:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)C3)C(=O)CO4)cnc2C1,HRRLEJLBGNVQLF-UHFFFAOYSA-N
rxn:4:201124:223577,CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc32)CC1,BGPBCAADINWROF-UHFFFAOYSA-N
rxn:4:201132:226172,COc1ccc2cc(-c3cc(N4CCCC4)ccc3C)ccc2c1CC(=O)N(C)C1CCN(C)CC1,XTDCHNZJYPHRHG-UHFFFAOYSA-N
rxn:4:201150:222929,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)ccc3C2)CC1,OJLBIYUCIKIUAF-UHFFFAOYSA-N
rxn:4:201150:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc21,DEMULQJLJTVAQZ-UHFFFAOYSA-N
rxn:4:201151:223490,Cc1ccc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XDLMNLULIXXPFK-UHFFFAOYSA-N
rxn:4:201191:224645,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)N5CCCC5)cc4OC)ccc2OC3c2ccc(C(C)C)cc2)cc1,DIZFPVPDJIOBNF-UHFFFAOYSA-N
rxn:4:201310:223695,CCOC(=O)c1cn(CC)nc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,XPZALCVEPLAPJX-UHFFFAOYSA-N
rxn:4:201379:225832,CC(=O)n1nc(C)c(-c2c(C)nn(C3CCCCO3)c2C)c1C(F)(F)C(F)(F)C(F)(F)F,FESZQMWHMGSIRR-UHFFFAOYSA-N
rxn:4:201392:223505,CC(C)(C)OC(=O)Cn1ccnc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BLKDKWLQJAOQOY-UHFFFAOYSA-N
rxn:4:201572:224754,CCOC(=O)c1nc(-c2ccccc2S(=O)(=O)N2CCCCC2)sc1N1CCOCC1,PXTMKUCBKCQIHD-UHFFFAOYSA-N
rxn:4:201664:223696,CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,ONEXVQGMYWOOCY-UHFFFAOYSA-N
rxn:4:201765:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1F,OKARBQJLMDKCIC-UHFFFAOYSA-N
rxn:4:201774:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)cs2)cc1,XLLDRADXOMHYQZ-KEKNWZKVSA-N
rxn:4:201790:223774,COc1cccc2c1cc(-c1ccc(C3CN(C(=O)OC(C)(C)C)C3)nc1)n2C(=O)OC(C)(C)C,IMKVNYZYTMXCGX-UHFFFAOYSA-N
rxn:4:201907:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CC(=O)N2CCC(N3C(=O)COC3=O)C2)cc1,OKBOZHXHZRBZLQ-UHFFFAOYSA-N
rxn:4:201907:226000,CC(=O)Oc1ccc(-c2ccc(CC(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc1[N+](=O)[O-],GNJLUSMMMZHEKT-UHFFFAOYSA-N
rxn:4:201915:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(S(=O)(=O)N3CCSC3c3cccc([N+](=O)[O-])c3)cc2)CC1,FXILWNLDUITLFE-UHFFFAOYSA-N
rxn:4:201923:226686,Cc1cnn(C2CCCCO2)c1-c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1,FFXKFUVQYCQYSK-UHFFFAOYSA-N
rxn:4:201925:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)n3)cc2)CC1,UFWYKVICELEINL-UHFFFAOYSA-N
rxn:4:201927:223521,CC(c1cccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FZJHDUQEOIUROX-UHFFFAOYSA-N
rxn:4:201927:223652,COc1ccc(Cl)c2cc(-c3csc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)n(C(=O)OC(C)(C)C)c12,UKUMTTDIFQRPLM-UHFFFAOYSA-N
rxn:4:201939:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(C)c3)cc2)CC1,LOYRORNUADITFO-SOAUALDESA-N
rxn:4:201945:225218,CC1CCCN(c2ncc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)cc2Cl)C1,MBGLCFOJYCXWQV-IVAFLUGOSA-N
rxn:4:201947:223575,CC(C)(C)OC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCCC1,AOARNJOTFQHINJ-UHFFFAOYSA-N
rxn:4:201949:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)OC)c(CN4CCN(C)CC4)c3)cc2)CC1,PEIBSWULCFLYMB-UHFFFAOYSA-N
rxn:4:201958:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3F)c(F)c2)CC1,KSJMMUXELFAXCP-UHFFFAOYSA-N
rxn:4:201992:225980,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(N4CCOCC4)ncc3F)nc2)C1,HTFBKJBPYOUTKX-UHFFFAOYSA-N
rxn:4:201994:222741,CC(C)(C)OC(=O)c1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)nc(N2CCOCC2)c1,WDBNYDVELMQLOP-UHFFFAOYSA-N
rxn:4:201996:225979,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)C1,ILXSIOSHKVVNNX-UHFFFAOYSA-N
rxn:4:201996:225984,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)C1,KUMZFMVTLXMKNF-UHFFFAOYSA-N
rxn:4:202001:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(C2COCCN2C(=O)OC(C)(C)C)ccn1,QERBNADDGKORMJ-UHFFFAOYSA-N
rxn:4:202001:226715,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cnn(C(=O)OC(C)(C)C)c2)c1,LQYWDNXDPZHMSN-UHFFFAOYSA-N
rxn:4:202002:224251,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)ccc2OC)CC1,UVOUFVBWJUEBTN-UHFFFAOYSA-N
rxn:4:202007:224392,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1C,OIIGUBSGRBJBPV-UHFFFAOYSA-N
rxn:4:202008:225297,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC2)c1,CWYKXOTWIJLSSX-UHFFFAOYSA-N
rxn:4:202073:223790,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)C(=O)C1,OEZTZNSZLLGWDH-UHFFFAOYSA-N
rxn:4:202075:222998,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3cc(F)cc(C4CCCNC4)c3)cn2)C1=O,GJDXLNVFPIWTFA-UHFFFAOYSA-N
rxn:4:202095:226267,COCCOc1ccc(C)cc1-c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C,WGBAPBLIZPWXST-UHFFFAOYSA-N
rxn:4:202097:222810,CC(C)(C)OC(=O)Nc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)cn1,MGDPNBSWGVOOBB-UHFFFAOYSA-N
rxn:4:202106:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)CC1,HJFDYISGZDYBNU-UHFFFAOYSA-N
rxn:4:202108:223593,CC(C)(C)OC(=O)N1CCC(c2cccnc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,RNFGRXDEFAUZSY-UHFFFAOYSA-N
rxn:4:202112:225952,Cc1nc(N2CCOCC2)ncc1-c1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1,WEEFGDXBFCJCFP-UHFFFAOYSA-N
rxn:4:202127:222584,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,VNTYTDRGWBUNLC-UHFFFAOYSA-N
rxn:4:202128:223669,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2Cl)CC1,TXWALBYOWFZEMM-UHFFFAOYSA-N
rxn:4:202130:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3F)cn2)CC1,YPPJFSPPNBFRAA-UHFFFAOYSA-N
rxn:4:202143:225832,COc1cc(C)c(-c2c(C)nn(C3CCCCO3)c2C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,AXUPHDVOQLQBRS-UHFFFAOYSA-N
rxn:4:202161:223635,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,BCBNFDGDYAIGHN-UHFFFAOYSA-N
rxn:4:202161:224761,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,MGDCEWSKKUSKCG-UHFFFAOYSA-N
rxn:4:202170:225952,Cc1nc(N2CCOCC2)ncc1-c1ccccc1CN1CCOC(C(=O)N2CCCC2)C1,RSRXVGFMHVPABS-UHFFFAOYSA-N
rxn:4:202175:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4C(=O)N4CCOCC4)cc3)c2F)cc1,MXPJFHDUQKUPAB-UHFFFAOYSA-N
rxn:4:202230:222790,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)c1,WFBZOBUKDJBYCI-UHFFFAOYSA-N
rxn:4:202275:225518,CCCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCC(OC)C3)CC2)c1,LOURFFPXJUTLFR-UHFFFAOYSA-N
rxn:4:202280:224819,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,DTEZNTYQHIVSCO-UHFFFAOYSA-N
rxn:4:202284:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,MSLQUTQXGIRGAH-DIVCQZSQSA-N
rxn:4:202290:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(N5CCC(OC)C5)CC4)cc3)ccc2C)CC1,HVADRBVCHRPCCX-UHFFFAOYSA-N
rxn:4:202295:225295,COc1cc(-c2ccccc2S(=O)(=O)N2CCCC2)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,KBMJHXKARKXIEX-UHFFFAOYSA-N
rxn:4:202298:223739,COc1cc(C)c(-c2ccc(O[Si](C)(C)C(C)(C)C)c3ccccc23)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,YXFNBJSXOSORNQ-UHFFFAOYSA-N
rxn:4:202306:223010,CCN1CCN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(C(C)(C)C)c2)CC1,ATCGMHBAHNKRQF-UHFFFAOYSA-N
rxn:4:202306:225390,CCN1CCN(Cc2cc(-c3cc(CC(C)C)cc(C4CC4)c3)cc(C(C)(C)C)c2)CC1,QHBHIKFXDUWFFO-UHFFFAOYSA-N
rxn:4:202311:226413,O=C(C1CCN(Cc2ccc(-c3cccc(N4CCOCC4)c3)cc2)CC1)N1CCC(F)(F)CC1,LAHQMXXCRUQQAY-UHFFFAOYSA-N
rxn:4:202320:226452,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(C4OCCCO4)cc3)c2)CC1,CMUKGBBRCQCIMP-UHFFFAOYSA-N
rxn:4:202320:227446,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3ccc(C4OCCO4)cc3)c2)CC1,QFKNHFKHNKLMES-UHFFFAOYSA-N
rxn:4:202328:228511,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)cc3)CC2)CC1,MUKDYHQIBPPZOJ-UHFFFAOYSA-N
rxn:4:202333:224406,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,HXMKMEVWYJNBIF-UHFFFAOYSA-N
rxn:4:202341:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c1,ICDWJQLFXYHRTF-UHFFFAOYSA-N
rxn:4:202341:225566,CC(C)N1CCN(Cc2cc(-c3ccc(OCC4(C)COC4)cc3)cc(C(C)(C)C)c2)CC1,BKXUMYSFFDFDKS-UHFFFAOYSA-N
rxn:4:202656:223581,COC(=O)c1cccc2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)cccc4s3)n(C(=O)OC(C)(C)C)c12,SRIHSNXNYNIUBW-UHFFFAOYSA-N
rxn:4:202656:223777,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)cc23)CC1,ODHDFRAROYXXFO-UHFFFAOYSA-N
rxn:4:202689:225093,CCCOc1c(Cl)cc(-c2ccc3c(c2)CN(C2CCC(=O)N(C(=O)OC(C)(C)C)C2=O)C3=O)cc1OCC,POHQIGIHDKDJKV-UHFFFAOYSA-N
rxn:4:202697:223574,COc1ccc(N2C(=NC(=O)c3ccc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,ZBRNCBRXPAGXQJ-UHFFFAOYSA-N
rxn:4:202697:227246,CCCOc1cccc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccc(OC)cc3)cc2)c1F,NKURVNYOPCSMFD-UHFFFAOYSA-N
rxn:4:202706:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cccc3cccnc23)CC1,DLNYHANCJFBNRK-UHFFFAOYSA-N
rxn:4:202712:227696,COC(=O)c1ccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)c(F)n1,CXNOTYWQTVNPHP-KRWDZBQOSA-N
rxn:4:202714:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cn2)CC1,VJUMRLQRZFCMLJ-UHFFFAOYSA-N
rxn:4:202714:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)c2c1,LYEVJBBIUSOQAD-UHFFFAOYSA-N
rxn:4:202714:224157,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccccc45)cc23)C1,OXSNTLNDKQBBOC-UHFFFAOYSA-N
rxn:4:202726:223581,COC(=O)c1cccc2cc(-c3ccc4c(c3)CCN4C3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,ZLVIKROSBPCYFH-UHFFFAOYSA-N
rxn:4:202782:222611,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4OC)ccc2OC3c2ccco2)cc1,YVWKHQQVQGCKMO-UHFFFAOYSA-N
rxn:4:202978:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,JRUBGWAPRDKNQU-UHFFFAOYSA-N
rxn:4:203080:223606,CCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(C)nc1Cl,WFSMXAMISZGCOR-UHFFFAOYSA-N
rxn:4:203545:224132,CN(C(=O)c1ccccc1-c1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)o1)C1CCCCC1,QZADRFDXMMDQLE-UHFFFAOYSA-N
rxn:4:203545:225879,O=C(c1ccc(-c2ccc(N3CCOCC3)cc2F)o1)N1CC(N2C(=O)CSC2=O)C1,SYDCMWRXHVIJII-UHFFFAOYSA-N
rxn:4:203709:224819,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)N1CCC(N2C(=O)COC2=O)C1,AOKVNMKCEZFOGE-UHFFFAOYSA-N
rxn:4:203709:226346,Cc1cc(OC(C)C)c(F)c(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1,DJDJNJBBWGUYEJ-UHFFFAOYSA-N
rxn:4:203821:223993,Cc1cc(-c2ccc(F)cc2CC(=O)N2CCN(C)CC2)ccc1S(=O)(=O)N1CCN(C)CC1,CSBPNPWDLJYXMG-UHFFFAOYSA-N
rxn:4:203833:224811,O=C(c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,NTTAZBXSGZECOH-UHFFFAOYSA-N
rxn:4:203833:224958,O=C(c1ccc(-c2cccc(OCC3CCCCO3)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,MRICYEAAMUBIFI-UHFFFAOYSA-N
rxn:4:203841:226128,O=C(CC1CC1)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)cc1,AGAQIVAFDSYMIQ-UHFFFAOYSA-N
rxn:4:203884:224818,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,VJUKKCSPODVNPC-UHFFFAOYSA-N
rxn:4:203921:224155,CN1CCN(c2cc(-c3cccnc3OC3CCC(N(C)C)CC3)cc(C3CC3)c2)CC1,IWXFLAOVRDWWFF-UHFFFAOYSA-N
rxn:4:203929:222855,COc1cc(-c2cc([N+](=O)[O-])c(C)cc2OC2CCN(C)CC2)cc(C2CCCNC2)c1,UYGAFGHNPMELCO-UHFFFAOYSA-N
rxn:4:203936:224376,COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,BIADVZYHDKABPT-UHFFFAOYSA-N
rxn:4:203939:224404,O=S(=O)(c1ccc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)cc1F)N1CCOCC1,CCEVLKXBJBGDIO-UHFFFAOYSA-N
rxn:4:203985:224582,O=C(c1ccccc1-c1cccc(N2CCN(C3CC3)CC2)c1)N1CCC(N2C(=O)COC2=O)CC1,BDOHXFYSMRQUDS-UHFFFAOYSA-N
rxn:4:203985:224769,O=C(c1ccccc1-c1ccc(N2CCCC2)cc1C(F)(F)F)N1CCC(N2C(=O)COC2=O)CC1,NIARVSIEFWJFGE-UHFFFAOYSA-N
rxn:4:203985:226448,O=C(c1ccccc1-c1cnc(Cl)c(C2CCCC2)c1)N1CCC(N2C(=O)COC2=O)CC1,JFIHPFFZWHDVCO-UHFFFAOYSA-N
rxn:4:203986:225871,O=C(c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,VUENALNARFWMFP-UHFFFAOYSA-N
rxn:4:204000:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)cc2)CC1,XWUYBVOZTSSTPR-FBSWEULCSA-N
rxn:4:204014:222730,CCCc1cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2C)cc(C2CCNCC2)n1,RUNAHPNLBSLQFJ-UHFFFAOYSA-N
rxn:4:204046:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)CC1,MBXMNPFCDZZLAB-UHFFFAOYSA-N
rxn:4:204066:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,NMYXOYOFYJOTBY-SOAUALDESA-N
rxn:4:204082:223979,O=C(c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc([N+](=O)[O-])c1)N1CCCCC1,DUONUKJBUNYPII-UHFFFAOYSA-N
rxn:4:204082:224761,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,MAPYTCMIRJLMRD-UHFFFAOYSA-N
rxn:4:204082:224767,O=C(c1cccc(-c2cccc(C(=O)N3CCOCC3)c2F)c1)N1CCC(N2C(=O)COCC2=O)CC1,VSCXSNRTLSMOAF-UHFFFAOYSA-N
rxn:4:204082:226270,N#CC(C#N)=Cc1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,AFNZUYCINVLSTJ-UHFFFAOYSA-N
rxn:4:204082:228128,COc1ccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc1C#N,VWTRQOCVTBKBHU-UHFFFAOYSA-N
rxn:4:204094:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,KJNAKXWXFICYLU-UHFFFAOYSA-N
rxn:4:204109:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)CC1,XGEZGMSGIUROAB-UHFFFAOYSA-N
rxn:4:204109:225161,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F)N1CCCC1,YDRPJPHSNYDHQW-UHFFFAOYSA-N
rxn:4:204109:226084,O=C1CCCCc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc21,BZNWEZVTBYRTAM-UHFFFAOYSA-N
rxn:4:204109:227900,CC(C#N)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,QFJJIVUNHQROIK-UHFFFAOYSA-N
rxn:4:204125:222741,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)CC2)cc1Cl,FEXPLIVWSRTIDN-UHFFFAOYSA-N
rxn:4:204155:222524,Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,UIPMBYDWSPKIIO-UHFFFAOYSA-N
rxn:4:204156:222612,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)CC2)c1,PYAONTQMQFBBAP-UHFFFAOYSA-N
rxn:4:204167:223138,CC1CCCN(Cc2ccc(-c3ccnc(C4CCNCC4)c3)cc2N2CCOCC2)C1,YYBBWODDJNPPBM-UHFFFAOYSA-N
rxn:4:204171:226464,COc1ccc2c(c1-c1ccc(CN3CCCC(C)C3)c(N3CCCCC3)c1)OCCO2,VEBJCDAXXSYZDV-UHFFFAOYSA-N
rxn:4:204172:226464,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(N3CCCCC3)c1)OCCO2,KXEPLMBIDDQPCW-UHFFFAOYSA-N
rxn:4:204179:222449,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(c4ccc(C)c(C)c4)CC3)cc2C)cc1S(=O)(=O)NCc1ccccc1,RDNOSKVYEGJKSR-UHFFFAOYSA-N
rxn:4:204179:225879,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCOCC5)cc4F)cc3C)CC2)cc1C,YTUIKEKRLHAJPP-UHFFFAOYSA-N
rxn:4:204182:222722,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,DYPRLEBIWKYTMW-UHFFFAOYSA-N
rxn:4:204418:223695,CCOC(=O)c1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn2c1O[C@H](C)CC2,ZQKHTYARCMNUCP-MRXNPFEDSA-N
rxn:4:204514:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)C2,BLKRMWJHYNKTNE-UHFFFAOYSA-N
rxn:4:204601:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,OMVVIDDUCSIZLI-UHFFFAOYSA-N
rxn:4:204603:224371,COC(=O)C1CCN(c2ncc(-c3cncc4c3CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,JHDOFQXTIJDOCD-UHFFFAOYSA-N
rxn:4:204644:223652,COc1ccc(Cl)c2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)n(C(=O)OC(C)(C)C)c12,KCYCNUGQHZCEFH-UHFFFAOYSA-N
rxn:4:204644:224653,CC(C)(C)OC(=O)N1CCOc2ncc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2C1,CHXLTKGXZREGMX-UHFFFAOYSA-N
rxn:4:204644:224971,CN1CCN(Cc2ccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2)CC1,JTBMKNGGZSHZIM-UHFFFAOYSA-N
rxn:4:204710:224022,CC(C)(C)[Si](C)(C)O[C@@H]1COc2c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cnn2C1,YZBHCMUCEUZXHH-VSFNCYNZSA-N
rxn:4:204710:225337,CC(C)(C)[Si](C)(C)O[C@@H]1COc2c(-c3cc(F)cc(COCC(F)(F)F)c3)cnn2C1,CKMJUHYBZMQPOJ-KRWDZBQOSA-N
rxn:4:204768:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCn5cccc5C4c4ccc(F)cc4)cc3)cn2)CC1,KKBCHCNOTUAMTF-UHFFFAOYSA-N
rxn:4:204780:225437,O=S(=O)(c1ccc(-c2cccc(CN3CCCCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,JWGUVJGWGQNESL-UHFFFAOYSA-N
rxn:4:204830:224819,O=C(C1=CN(c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)c2ccccc2S1(=O)=O)N1CCCCC1,UBYMPWVPMPNQPP-UHFFFAOYSA-N
rxn:4:204844:224377,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)c4ccccc34)CC2)cc1,GVARLRUHILNCTI-UHFFFAOYSA-N
rxn:4:205824:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)cc12,WWOOANHXBPVALP-UHFFFAOYSA-N
rxn:4:206271:223531,Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,YILJECJTWIHOMU-UHFFFAOYSA-N
rxn:4:206422:223696,N#Cc1nccc(C2CCOCC2)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,ITLBVNIDEAKKEZ-UHFFFAOYSA-N
rxn:4:206584:223844,O=S1(=O)CCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1,KOAFDRWHFJVAPT-UHFFFAOYSA-N
rxn:4:206671:223776,CCc1nc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cn1C1CCOCC1,RFTDFOCEANMWJN-UHFFFAOYSA-N
rxn:4:206716:223602,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,SBYVTQJVTFOQCY-UHFFFAOYSA-N
rxn:4:206787:223697,Cc1nc(OC2CCCCC2)ncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,NAXAFECUYNSJOH-UHFFFAOYSA-N
rxn:4:206962:223520,CC(c1ccc(-c2ccc(C3CCCN(S(C)(=O)=O)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,XXLUMRHDTMWXEN-UHFFFAOYSA-N
rxn:4:207046:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCCN(C(C)C)C2)nc1,VPLLRLSAERIALZ-UHFFFAOYSA-N
rxn:4:207057:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,VHESWKIFEGKWLH-UHFFFAOYSA-N
rxn:4:207068:223489,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2C2CC2)CC1,FHFFHAPWBUAOLZ-UHFFFAOYSA-N
rxn:4:207070:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)c(F)c2)CC1,HISAAHCVFOZCPV-HZCBDIJESA-N
rxn:4:207129:223539,COCC1Cn2ncc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2O1,IHSGZYYJMXDLRK-UHFFFAOYSA-N
rxn:4:207262:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4c(ccn4CC(F)(F)F)c3)cc2)CC1,OTTZABPSQNPVQX-UHFFFAOYSA-N
rxn:4:207279:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc(C(F)(F)F)n4cc(C(F)(F)F)cc(Cl)c34)c2)CC1,FSESDAZTAGUWRJ-UHFFFAOYSA-N
rxn:4:207395:223589,COC(=O)c1nn2c(c1-c1cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1C)CCCC2,IBVGITXXBMKGCJ-UHFFFAOYSA-N
rxn:4:207395:223696,COC(=O)c1nn2c(c1-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc1)CCCC2,IJEDHLAAIALVLV-UHFFFAOYSA-N
rxn:4:207746:223481,Cc1cc2ncn(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)c2cc1C,VQZJJRAISODCOC-UHFFFAOYSA-N
rxn:4:207779:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN5CCC4CC5)cc3)cn2)CC1,CTGCTLOQEAVRCQ-UHFFFAOYSA-N
rxn:4:207843:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CCCC3N2CCN(CC)CC2)CC1,PJCSWJIXSJXJFV-UHFFFAOYSA-N
rxn:4:207843:224874,CCN1CCN(C2CCCc3cc(-c4cccc(COC5CCCCC5)c4)ccc32)CC1,HSNQQEAFAVICRB-UHFFFAOYSA-N
rxn:4:207852:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)cc1,GMSGWKJWFDKUCM-UHFFFAOYSA-N
rxn:4:207890:224863,Cc1c(-c2ccccc2CN(C(C)C)C(C)C)cnn1CC12CC3CC(CC(C3)C1)C2,PIYMTNLCGVDLDW-UHFFFAOYSA-N
rxn:4:207946:224917,COc1cc(-c2ccc(N3CCC(C)CC3)cc2C)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,QTGAGTWKYQERIL-UHFFFAOYSA-N
rxn:4:207946:225059,COc1cc(-c2ccc(N3CCC(C)CC3)cc2Cl)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,WPBIQQLSKBBEBT-UHFFFAOYSA-N
rxn:4:207946:226212,CON=C1CCc2cc(-c3cc(OC)c4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)ccc21,PAFAJHMVJXFLNB-UHFFFAOYSA-N
rxn:4:207965:224874,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(COC5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,RQIWWFMTJDGQCJ-UHFFFAOYSA-N
rxn:4:208189:223539,COc1ccc(-c2ncc(C(F)(F)F)nc2Cl)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,QABHVVVZJLDYJX-UHFFFAOYSA-N
rxn:4:209605:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCOCC2)ccn1,SXNCSSOUVMBGBL-UHFFFAOYSA-N
rxn:4:209671:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(=O)CC4)c3)cc2)CC1,FEQNOSXMIACOJP-UHFFFAOYSA-N
rxn:4:209736:223687,CC1CCN(c2cnc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)s2)CC1,ZZNFBPIIVWFRMA-UHFFFAOYSA-N
rxn:4:209809:223505,Cc1cn(C2CCCCC2)nc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LBBYWTIQBROHMD-UHFFFAOYSA-N
rxn:4:210550:223490,Cc1ccc(-c2cc(C)c([N+](=O)[O-])c3ccncc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IZONCPABMIKLRL-UHFFFAOYSA-N
rxn:4:210936:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCCCC5)sc4c3)c2Cl)CC1,MQCLGRBKNBELLH-UHFFFAOYSA-N
rxn:4:211073:222948,N#CC1=C2CCCCN2c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2S1(=O)=O,NDLLLEULIZLWCH-UHFFFAOYSA-N
rxn:4:211096:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCCC3)O4)c2C1,JADGTEQKVKGEKA-UHFFFAOYSA-N
rxn:4:211100:222816,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)cc1S(=O)(=O)NC(C)C,QLQTWFSMHHCAEY-UHFFFAOYSA-N
rxn:4:211100:224656,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)c(F)c1OC1CCCC1,DZJJQKMFXCRMSE-UHFFFAOYSA-N
rxn:4:211100:226307,COCc1cc(C)cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)c1OC,MLPZPKNKQQZNTK-UHFFFAOYSA-N
rxn:4:211101:226464,COc1ccc2c(c1-c1ccc3c(c1)C1CC(c4ccc(C)cc4)=NN1C1(CCC(C)CC1)O3)OCCO2,MWNNFZHNQCAOGV-UHFFFAOYSA-N
rxn:4:212499:223697,COCCOc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)nn1COC,PTZCCGLIOQXVJV-UHFFFAOYSA-N
rxn:4:212593:223940,CN(C(=O)c1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)nc1)C1CN(C(=O)OC(C)(C)C)C1,KGDNGZXVGXOLKF-UHFFFAOYSA-N
rxn:4:212605:223084,Cn1cc(-c2cnc(N3CCC(O)CC3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,PFDGSKSOZXMSRS-UHFFFAOYSA-N
rxn:4:212623:223812,O=C(Cc1ccc(F)cc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCCC(COc2ncccn2)C1,COWTVQIRQRXXCF-UHFFFAOYSA-N
rxn:4:212636:223880,Cc1ccc2c(c1)cc(-c1cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,YCKLVNRQSWEFLN-UHFFFAOYSA-N
rxn:4:212636:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnn(CCC2CCN(C(=O)OC(C)(C)C)CC2)c1,RQICNUXOVQLYSA-UHFFFAOYSA-N
rxn:4:212649:225898,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,DINZRCDOOCXRAA-UHFFFAOYSA-N
rxn:4:212650:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,GZJYVHRBSRRWSS-UHFFFAOYSA-N
rxn:4:212655:223635,COC(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,OBHLEOCABCSNOW-UHFFFAOYSA-N
rxn:4:212656:222584,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1,SUPLCTKVKQWACW-UHFFFAOYSA-N
rxn:4:212658:225762,COC(=O)c1ncc(-c2cc(Cl)c(F)c(OCC(C)C)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,NTLPPVWCWLGKDI-UHFFFAOYSA-N
rxn:4:212690:227386,Cn1ncc(-c2cnn(C3CCCCC3)c2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,MVTAAIORZSMJMG-UHFFFAOYSA-N
rxn:4:212696:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cc2)C1,UJCNOTAQVBZAMB-UHFFFAOYSA-N
rxn:4:212696:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)cnc1Cl,PANCTVMFVAFRII-UHFFFAOYSA-N
rxn:4:212704:223118,CCCC(=O)Nc1cccc(-c2cccc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,VFJDJHOPBIJDDZ-UHFFFAOYSA-N
rxn:4:212722:225048,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(N4CCN(C)CC4)cc3C)cc2)C(=O)N2CCN(C)CC2)cc1,OUAQWTQTALPMEG-UHFFFAOYSA-N
rxn:4:212743:223885,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc3)CC2)CC1,CIDVKUMTYYCWSO-UHFFFAOYSA-N
rxn:4:212743:225294,CCN1CCN(c2ncc(-c3ccc(N4CCN(CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)cn2)CC1,JGQLJKIQPWQZLX-UHFFFAOYSA-N
rxn:4:212747:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCOCC2)c1,XDNUWGZYWGGTEQ-UHFFFAOYSA-N
rxn:4:212747:223491,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1N1CCOCC1,XSUNHYFDQUCKQJ-UHFFFAOYSA-N
rxn:4:212804:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccnc3c2ccn3CC2CCN(C(=O)OCc3ccccc3)CC2)c1,RKQDSLCEYOIMCK-UHFFFAOYSA-N
rxn:4:212824:225977,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cc(Cl)cnc5N5CCOCC5)cc4s3)CC2)cc(OC)c1OC,KBAJOXOYPUCTAH-UHFFFAOYSA-N
rxn:4:212830:223576,CN(C(=O)c1cc2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,BVNSOPAHCRCPRC-HHHXNRCGSA-N
rxn:4:212942:223888,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cn2)C1,GJGKOBXWXFYEHY-UHFFFAOYSA-N
rxn:4:212964:225312,CN1CCCN(c2ncc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,KVJHVUOFSMJZLN-UHFFFAOYSA-N
rxn:4:212966:224160,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)C1,ZOUWYQRLJZJRQB-UHFFFAOYSA-N
rxn:4:212980:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,BWDVYJWXHJCIKA-UHFFFAOYSA-N
rxn:4:213010:226652,Cc1cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)n(C2CCCCO2)n1,NMONCYBIUQSVQV-LROBGIAVSA-N
rxn:4:213011:222546,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,JMEDQKZREWSYHT-UHFFFAOYSA-N
rxn:4:213031:224738,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cn2)C1,BNYAAJVUHASFGV-UHFFFAOYSA-N
rxn:4:213046:224653,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(Cl)cc1OCC1CCCCO1,HQOWPNSOIPFIGO-UHFFFAOYSA-N
rxn:4:213070:223934,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cn2)CC1,XESXZPJNRRBFMG-UHFFFAOYSA-N
rxn:4:213070:224158,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cn2)CC1,QGMZSMOTYMPFKD-UHFFFAOYSA-N
rxn:4:213070:224653,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(Cl)cc3OCC3CCCCO3)cn2)CC1,FMTVSEIEMJMARM-UHFFFAOYSA-N
rxn:4:213073:224273,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2cc3ncccc3n2C(=O)OC(C)(C)C)CC1,YMRQKJJLZZNBIA-UHFFFAOYSA-N
rxn:4:213077:227386,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnn(C4CCCCC4)c3)c(C(F)F)n2)CC1,KYMDSQPUOZYHIO-UHFFFAOYSA-N
rxn:4:213078:226572,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(OC4CCCC4)nc3)c2C(F)F)CC1,OWNXBRLWCGGZSU-UHFFFAOYSA-N
rxn:4:213080:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZBMHAVHEJYHVLF-UHFFFAOYSA-N
rxn:4:213080:224160,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1,NDQOQMXELZRGGP-UHFFFAOYSA-N
rxn:4:213081:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)CC1,RMZWQCVPBVHOID-UHFFFAOYSA-N
rxn:4:213081:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cc2F)CC1,LXNJRSGVWUHCTP-UHFFFAOYSA-N
rxn:4:213088:222810,CC(C)(C)OC(=O)Nc1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)c(Cl)cn1,SEZHBHUVCLLDCH-UHFFFAOYSA-N
rxn:4:213088:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)cc1F,GNBURIROMPELAE-UHFFFAOYSA-N
rxn:4:213093:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c(C#N)c2)CC1,HLSYDOJCMSJGHC-UHFFFAOYSA-N
rxn:4:213093:223929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c(C#N)c2)CC1,FKNPDRDIKFHDQZ-UHFFFAOYSA-N
rxn:4:213095:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(C#N)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,HSEMVBZCLXPODD-UHFFFAOYSA-N
rxn:4:213095:223934,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)CC1,BNFXZVDGCOGANM-UHFFFAOYSA-N
rxn:4:213099:228653,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnn4c3CCCC4)c2C(F)(F)F)CC1,APAKALQFNXVBIT-UHFFFAOYSA-N
rxn:4:213109:222465,O=S(=O)(c1ccccc1)N1CCC(COc2ncc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2)CC1,ZEGRQZBBLSTCBH-UHFFFAOYSA-N
rxn:4:213110:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5)C4)nc3)c2)CC1,LCRJRHQIXGWXJQ-UHFFFAOYSA-N
rxn:4:213125:225979,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,WJXDNNQZBPWADA-UHFFFAOYSA-N
rxn:4:213127:223498,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)ccn2)CC1,DOHDVXJZOIOHOH-UHFFFAOYSA-N
rxn:4:213129:222787,COc1nc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cn1C1CCN(C(=O)OC(C)(C)C)CC1,GAXHZZLISIOHEN-UHFFFAOYSA-N
rxn:4:213129:223528,COc1nc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,SKAVAMXXYPCEEM-UHFFFAOYSA-N
rxn:4:213129:225890,COc1nc(-c2cnn(COCC[Si](C)(C)C)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,PLTRJBYQTKDPLE-UHFFFAOYSA-N
rxn:4:213131:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,BHLXYSUDVBWTGQ-UHFFFAOYSA-N
rxn:4:213132:226981,CCCCCCc1ccsc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,VWUCNZZDODXZAO-UHFFFAOYSA-N
rxn:4:213138:227666,CC(=O)c1ccc(-c2cnc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1F,CJDWRLXEPOJPAW-UHFFFAOYSA-N
rxn:4:213139:225144,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3C#N)cc2[N+](=O)[O-])CC1,BIJAUYTWYOHCRR-UHFFFAOYSA-N
rxn:4:213141:226235,CCCCOc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])c(C)n1,COCJQHYGTKAVLW-UHFFFAOYSA-N
rxn:4:213143:227536,CCOc1cc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,ZLCVGYRCFRQIMB-UHFFFAOYSA-N
rxn:4:213144:223940,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)CC1,QUXBHSMMUNAZOF-UHFFFAOYSA-N
rxn:4:213147:223695,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,MHDFYETXAPNNNF-UHFFFAOYSA-N
rxn:4:213147:223938,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)CC1,CVWHYQUHZDGAHW-UHFFFAOYSA-N
rxn:4:213147:225320,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccc(N4CCOCC4)c(F)c3F)c2)CC1,RNVSJGZMVAZCGL-UHFFFAOYSA-N
rxn:4:213147:226715,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cnn(C(=O)OC(C)(C)C)c3)c2)CC1,MOUQOKNXYXKGHJ-UHFFFAOYSA-N
rxn:4:213150:226486,COC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,VYJFAKGFTSNCJP-UHFFFAOYSA-N
rxn:4:213191:227889,COCCc1ccccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,FEXXCOPCMQJRLM-UHFFFAOYSA-N
rxn:4:213198:225947,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)nc3)c2)nc1C,JQWZGGROKDSQEZ-UHFFFAOYSA-N
rxn:4:213205:223994,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)cc3)C2)nc1,CAIMLMBUAJOKQL-UHFFFAOYSA-N
rxn:4:213213:223774,COc1cccc2c1cc(-c1cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n1)n2C(=O)OC(C)(C)C,INALZPVLONNMRA-UHFFFAOYSA-N
rxn:4:213214:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)cc2)CC1,VQYGAJQEKDVKDU-DIVCQZSQSA-N
rxn:4:213214:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)cc2)CC1,NGMLYHVEUVEFBM-SOAUALDESA-N
rxn:4:213217:223525,CCN1CCN(c2ncc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,AZDVYLXTPZFXDT-UHFFFAOYSA-N
rxn:4:213217:225979,CCN1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C(=O)OC(C)(C)C)CC1,UUSKXSNAWSTRCY-UHFFFAOYSA-N
rxn:4:213222:225984,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)o3)CC2)n1,CYQHYIBPUMIPGS-UHFFFAOYSA-N
rxn:4:213257:223506,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,KNDZQHGMKKNBGI-UHFFFAOYSA-N
rxn:4:213257:225895,COCCOc1cc(-c2c(C)nn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc(Cl)c1F,RXXZSRXPXPCOOR-UHFFFAOYSA-N
rxn:4:213260:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,FKLDNGPYMMZOKZ-UHFFFAOYSA-N
rxn:4:213266:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,QZXSNMLHXHODDS-MCZWQBSQSA-N
rxn:4:213320:222957,COC(=O)c1nc(-c2cc(C)cc(C3CCCNC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,XFFHLTNARKVQGM-UHFFFAOYSA-N
rxn:4:213354:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2[N+](=O)[O-])CC1,HZXXIOZXUQSDKJ-UHFFFAOYSA-N
rxn:4:213459:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ZBTGBQXAOLUTMY-YITPRAEKSA-N
rxn:4:213474:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)c(Cl)c1,SUPKEGUACZXEPI-XIFFEERXSA-N
rxn:4:213476:228676,CCCCn1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cn1,QAXBBAGMMPFLDO-DGXQLJOLSA-N
rxn:4:213638:222947,O=C(C1CC(F)(F)C1)N1CC(Cn2cc(-c3cnc(N4CCCC(O)C4)nc3Cl)cn2)C1,RMXMUIFFXVFHSO-UHFFFAOYSA-N
rxn:4:213708:223812,O=C(c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncc(Cl)cn2)C1,WLKPAUIZZWKTOA-UHFFFAOYSA-N
rxn:4:213723:223945,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c2)CC1,PCOMFEMLWFYASU-UHFFFAOYSA-N
rxn:4:213755:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3csc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)CC1,HLNMOCRDAZEYSY-UHFFFAOYSA-N
rxn:4:213766:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,RLNVODAQKUEPOP-UHFFFAOYSA-N
rxn:4:213798:225102,CCN(CC)C(=O)c1cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)ccc1F,XNCBZVVXVAOBDQ-UHFFFAOYSA-N
rxn:4:213799:222634,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ncn2)C1,VYJWXXQVURFMCZ-UHFFFAOYSA-N
rxn:4:213799:225172,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(CN4CCOCC4)ccc3F)ncn2)C1,YOVYHQLRDUYATO-UHFFFAOYSA-N
rxn:4:213799:225875,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCOCC4)cc3Cl)ncn2)C1,AMOJBDBZDJREDO-UHFFFAOYSA-N
rxn:4:213801:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)c1,PZWUKSQNRKJQOW-UHFFFAOYSA-N
rxn:4:213803:225898,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cnn(CCN3CCOCC3)c2)cn1,BKGVUIDZSVNOAB-UHFFFAOYSA-N
rxn:4:213805:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2)CC1,ADSZDTBULCTVJV-UHFFFAOYSA-N
rxn:4:213805:223945,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,HCIABSLJHAOLQC-UHFFFAOYSA-N
rxn:4:213820:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(Oc2ncccc2Cl)CC1,SCNRPKRGWVDJRF-UHFFFAOYSA-N
rxn:4:213834:223084,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1,AHHLPCLQLKFADB-UHFFFAOYSA-N
rxn:4:213835:223594,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,GWRCVZRNHXKODT-UHFFFAOYSA-N
rxn:4:213839:222432,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)CC1,DCHRWJCDYBKBFH-UHFFFAOYSA-N
rxn:4:213872:225269,COC(=O)c1ccc(-c2cnn(CC3CN(CC4CCCCC4)C3)c2)c(C(=O)OC)c1,JEOYOJIIZHLNPA-UHFFFAOYSA-N
rxn:4:213874:223059,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCNCC4)cc3Cl)ccn2)CC1,OJWPHWDFNGOYEV-UHFFFAOYSA-N
rxn:4:213876:222929,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)nc2)CC1,HBYZHIDOTKEYCF-UHFFFAOYSA-N
rxn:4:213877:224759,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,FSDINTUNVAVPRK-UHFFFAOYSA-N
rxn:4:213879:223928,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,NYHRLEWFJJSPRN-UHFFFAOYSA-N
rxn:4:213879:225557,COC(=O)C1(c2ccc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,HPXSNPQNNZKIEC-UHFFFAOYSA-N
rxn:4:213880:223059,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCNCC3)cc2Cl)CC1,RVQUJERVCUUPBX-UHFFFAOYSA-N
rxn:4:213881:225947,CN1CCN(c2ncc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,PHCLUDDPIWKZOB-UHFFFAOYSA-N
rxn:4:213884:225296,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1,JUWATJWKBIINIL-UHFFFAOYSA-N
rxn:4:213887:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1Cl,SOMBYYVTOXUGOF-UHFFFAOYSA-N
rxn:4:213892:223065,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCNCC3)cc2F)CC1,JBXHKTRCDMQLID-UHFFFAOYSA-N
rxn:4:213892:223935,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)CC1,RNOIIAIMDUQLHN-UHFFFAOYSA-N
rxn:4:213894:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3F)cn2)CC1,TUMJRMOHESCJDC-UHFFFAOYSA-N
rxn:4:213895:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCCN4C(=O)OC(C)(C)C)nc3)ccc2F)CC1,QIEDVDFMMYSVAT-UHFFFAOYSA-N
rxn:4:213932:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,SZVGUARBGUWMHA-UHFFFAOYSA-N
rxn:4:213941:226652,Cc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)n(C2CCCCO2)n1,QKXRUNDEDZAJBE-UHFFFAOYSA-N
rxn:4:213942:224158,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,UKAUFKBKNHUQLY-UHFFFAOYSA-N
rxn:4:213942:226502,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccn(C(=O)OC(C)(C)C)c1,RIGVKTRIUAEUNP-UHFFFAOYSA-N
rxn:4:213943:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cn[nH]c1C1(C)CCN(C(=O)OC(C)(C)C)CC1,QZUSXZNMAVZRJG-UHFFFAOYSA-N
rxn:4:213943:226607,CC(C)Oc1cc(Cl)cc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1F,QRPJAGLQEJEOHX-UHFFFAOYSA-N
rxn:4:213969:225926,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,YLJLMSZJBUVGKQ-UHFFFAOYSA-N
rxn:4:213972:227464,CCCCSc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cn1,IDXIKMPUELZJNY-UHFFFAOYSA-N
rxn:4:213974:224278,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)n2)CC1,WJFCQQJRGPTUNI-UHFFFAOYSA-N
rxn:4:213974:225979,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,MWOSYGZPEZNIMW-UHFFFAOYSA-N
rxn:4:213975:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,WSOHQSULLPVVAN-UHFFFAOYSA-N
rxn:4:213975:225984,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,QIJLGLWMZLEMAY-UHFFFAOYSA-N
rxn:4:213979:224624,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)nn1,SGPVVDOXYBDVCA-UHFFFAOYSA-N
rxn:4:213979:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2C)nn1,IWUAFWRIPSINBK-UHFFFAOYSA-N
rxn:4:213979:225877,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(Cl)cc2N2CCOCC2)nn1,GWJPISJCIOXSKA-UHFFFAOYSA-N
rxn:4:213980:222998,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cc(F)cc(C3CCCNC3)c2)n1,IZAROXPSRAJVRN-UHFFFAOYSA-N
rxn:4:213980:225218,CC1CCCN(c2ncc(-c3ccnc(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cc2Cl)C1,JOHURNBAPPYJQZ-UHFFFAOYSA-N
rxn:4:213982:227610,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccn(C3CCCCO3)n2)ncn1,JZEJACMNXAZQEZ-UHFFFAOYSA-N
rxn:4:213985:224162,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1,CCPSNHQKUQCENR-UHFFFAOYSA-N
rxn:4:213986:224720,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UPDAQAAZGQDDNN-UHFFFAOYSA-N
rxn:4:213987:223670,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,QUORUCHVMYQXNT-UHFFFAOYSA-N
rxn:4:213988:223593,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2)CC1,AGGOGSNSIJMLNQ-UHFFFAOYSA-N
rxn:4:213988:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nc2)cnc1Cl,XZPWERLMLKRBAU-UHFFFAOYSA-N
rxn:4:213989:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C5CCOCC5)C4)nc3)cc2)CC1,SOQYRBGEYWOIGW-PECFQXNXSA-N
rxn:4:213996:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,FSPXDQAYVJMZIW-UHFFFAOYSA-N
rxn:4:214000:223773,COc1cccc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4C)c(F)c3)n(C(=O)OC(C)(C)C)c12,SKBQBUVAFRIVCL-UHFFFAOYSA-N
rxn:4:214005:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1,YNAWSRPPIVQAHE-UHFFFAOYSA-N
rxn:4:214005:226563,COC(=O)Cc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1F,SJMLDPWBEYFODU-UHFFFAOYSA-N
rxn:4:214010:222996,Cc1nn(C(=O)c2ccccc2-c2ccc(F)cc2C2CCCNC2)c(C)c1S(=O)(=O)N1CCOCC1,YSQJJLCPBXRILY-UHFFFAOYSA-N
rxn:4:214017:223687,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3)CC2)n1,WQYOURAUYJDCKO-UHFFFAOYSA-N
rxn:4:214025:223671,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,QJZQHBAEWQMYIB-UHFFFAOYSA-N
rxn:4:214029:227480,CCCOc1nccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)c1Cl,OIFZHYBDKBIDQW-UHFFFAOYSA-N
rxn:4:214037:225297,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)C2)CC1,LNSJEKHJUGCSDU-UHFFFAOYSA-N
rxn:4:214042:228340,COc1nc(C2CC2)sc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)o1,IANHNHKMROITDL-UHFFFAOYSA-N
rxn:4:214043:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccccc1-c1noc(C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1,IERPOPDRORYJOC-UHFFFAOYSA-N
rxn:4:214047:223521,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,MPWLCMYCFQWWSZ-UHFFFAOYSA-N
rxn:4:214047:223577,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,ICZWQDIGPAXLNH-UHFFFAOYSA-N
rxn:4:214047:223650,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1,IPTOWFNHUBHQLJ-UHFFFAOYSA-N
rxn:4:214047:223671,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JAZCDUDBLOCYLJ-UHFFFAOYSA-N
rxn:4:214048:226021,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cc(Cl)ccc1OCC(F)(F)F,SJBFRIRUXJXWJL-UHFFFAOYSA-N
rxn:4:214050:223668,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(OCc3ccccc3)cc2OC(F)(F)F)cc1F,MZCFTIJKKWWCQZ-UXHICEINSA-N
rxn:4:214054:224372,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc([N+](=O)[O-])c1)N1CCCC1,ZYNFDLRXBXMDDM-UHFFFAOYSA-N
rxn:4:214054:229292,Cc1occc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,LXEBUSZUGHNKMC-UHFFFAOYSA-N
rxn:4:214058:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)c(F)c2)CC1,WEKSCGUIRUJTAN-DIVCQZSQSA-N
rxn:4:214062:223862,CCCCc1ccc(-c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)c(F)c2)cc1,HEXOHNUXHHCYPW-UHFFFAOYSA-N
rxn:4:214065:222997,Cc1nn(C(=O)c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,XMBJARCOTVQFRN-UHFFFAOYSA-N
rxn:4:214065:223167,Cc1nn(C(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,JZDVSGXDPSXVJL-UHFFFAOYSA-N
rxn:4:214086:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCCC4)c3)cc2)CC1,QVEHQIJYWIQJCK-YALZGCRRSA-N
rxn:4:214109:223539,CCOC(=O)c1cnc2c(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c(C)nn2c1C(F)(F)F,JSXAMZWHXWGJEG-UHFFFAOYSA-N
rxn:4:214115:224267,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)c2c1N=S=N2,GROQXCFZQGACBH-UHFFFAOYSA-N
rxn:4:214135:225226,CCN(CC)S(=O)(=O)c1c(-c2cc(N3CCC(C)CC3)ncc2F)nc2n1CCOC2,SPIJSKOXYCPWCL-UHFFFAOYSA-N
rxn:4:214145:228210,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3ccc(N4CCCC4)s3)c2C1,MKBZUTPKMUYSHS-UHFFFAOYSA-N
rxn:4:214146:227525,CCc1cnc(C(F)F)cc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,OROFKZDFTWYQEB-UHFFFAOYSA-N
rxn:4:214180:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc2cc(C3CN(C(=O)OC(C)(C)C)C3)nn2c1,XEGMCCQPSNSBNG-UHFFFAOYSA-N
rxn:4:214185:222948,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(N4CCC(O)CC4)nc3Cl)c2C1,XRTNIODBTPBCQH-UHFFFAOYSA-N
rxn:4:214185:228420,CSc1c(F)cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1F,MKXRFOKYLDYHLZ-UHFFFAOYSA-N
rxn:4:214213:222546,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,IBDLTKMPUNFDDD-UHFFFAOYSA-N
rxn:4:214230:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1,HBIDAFBIAHWYTN-UHFFFAOYSA-N
rxn:4:214275:223592,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc23)CC1,AVZSTAMIWKQTSE-UHFFFAOYSA-N
rxn:4:214275:223595,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc23)CC1,ICJUZZCWUUBJHP-UHFFFAOYSA-N
rxn:4:214277:223646,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cc32)CC1,IKNWMHIKRAFDNF-UHFFFAOYSA-N
rxn:4:214277:224718,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,LLJKHQOCCYIPGR-UHFFFAOYSA-N
rxn:4:214320:225233,CC1CCCN(c2cc(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)CC5)c4c3)cnc2Cl)C1,IJHLHBNGZGHKLM-UHFFFAOYSA-N
rxn:4:214321:223575,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc32)CC1,JOMXGOXQVNZQDE-UHFFFAOYSA-N
rxn:4:214347:223992,Cc1ccc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)n3C)cc1S(=O)(=O)N1CCN(C)CC1,ZKAFYWJHUWSPJH-UHFFFAOYSA-N
rxn:4:214350:223636,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4ccc(C5CCCN(C(=O)OC(C)(C)C)C5)cc4)CC3)c2cc1C,XWXFIFNZJFXRLN-UHFFFAOYSA-N
rxn:4:214390:225984,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(Cl)c(N5CCOCC5)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,BINCFZKQUQDXLR-UHFFFAOYSA-N
rxn:4:214437:223606,COC(=O)c1c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c([N+](=O)[O-])nn1C,PVXOILCGWNNVJV-UHFFFAOYSA-N
rxn:4:214660:222584,Cn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,KEYDOPHJJAXTHK-UHFFFAOYSA-N
rxn:4:214660:223671,Cn1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,NDPFXUBDDPEMSR-UHFFFAOYSA-N
rxn:4:214679:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCC(C(F)(F)F)CC2)n1,CNELDGVPDKWFRO-UHFFFAOYSA-N
rxn:4:214710:222742,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CC1,ZVQVAXZXJGMIBT-UHFFFAOYSA-N
rxn:4:214765:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cccc(N3CCC(N(C)C)CC3)c2[N+](=O)[O-])c1,DLZLIBRPXSMRJY-UHFFFAOYSA-N
rxn:4:214768:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-],AZZTWCUFJKKTDM-UHFFFAOYSA-N
rxn:4:214773:224398,Cc1cc(F)c(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc1S(=O)(=O)N1CCCC1,AQRPDAOBEHTALM-UHFFFAOYSA-N
rxn:4:214774:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1,JUGQBDAXRZXVAP-UHFFFAOYSA-N
rxn:4:214821:226836,CC(C)n1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(C(F)(F)F)n1,MFZIUBFEYPTNGA-UHFFFAOYSA-N
rxn:4:214829:222634,O=C(C1CN(c2ncccc2-c2ccc(OCCNC3CCCC3)c(F)c2)CCO1)N1CCSCC1,IEVOGHCXFZDKSO-UHFFFAOYSA-N
rxn:4:214835:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)CC1,SIHILCAOPCAZPU-UHFFFAOYSA-N
rxn:4:214837:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,KRJWSKLPJMEYCQ-UHFFFAOYSA-N
rxn:4:214839:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)ccc21,NHSXOZMTUGSECM-UHFFFAOYSA-N
rxn:4:214839:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1Cl,ANXMNTSTDILZCP-UHFFFAOYSA-N
rxn:4:214855:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cc2Cl)CC1,RUZFYFOKPUGZEF-UHFFFAOYSA-N
rxn:4:214865:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3N3CCCC(C(=O)N4CCOCC4)C3)c2)CC1,MYOQLEYPGGPYDO-UHFFFAOYSA-N
rxn:4:214866:224323,Cc1cc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,AXYJXSHHBHPFKP-UHFFFAOYSA-N
rxn:4:214871:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,FNSMSUKOWSFISK-UHFFFAOYSA-N
rxn:4:214871:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MFCXKOSIHFRLGZ-UHFFFAOYSA-N
rxn:4:214871:227228,CC(C)COc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cn1,TXHLKVCZJAKMBV-UHFFFAOYSA-N
rxn:4:214873:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,UIMOTSHNFBQDHC-UHFFFAOYSA-N
rxn:4:214874:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,IRSDSBNXYYTHAZ-UHFFFAOYSA-N
rxn:4:214884:227807,O=C(C1CCN(c2ncc(Cl)cc2-c2cccc3c2CCCC3)CC1)N1CCC(F)(F)CC1,SUGBYYSTMISAPO-UHFFFAOYSA-N
rxn:4:214889:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCC4)c3)cc2)CC1,IICWYPCCCDARIF-QVYRIUEQSA-N
rxn:4:214890:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2F)CC1,LJZHIOGXVMAERB-UHFFFAOYSA-N
rxn:4:214919:223541,CCOC(=O)c1cnn2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)nc12,ONBJRPXQMVFVLV-UHFFFAOYSA-N
rxn:4:215021:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ncnc(Cl)c34)cc2Cl)CC1,ATOZYRAXRYJJPD-UHFFFAOYSA-N
rxn:4:215101:223934,CC(C)(C)OC(=O)N1CCc2cnc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)n2CC1,LZKAPQASAWAHOZ-UHFFFAOYSA-N
rxn:4:215102:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cn2c(n1)CCN(C(=O)OC(C)(C)C)CC2,QBXIQYSOKFLBAH-UHFFFAOYSA-N
rxn:4:215106:223939,Cc1nn2c(c1-c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCO3)CN(C(=O)OC(C)(C)C)CC2,NGTNFTYGMQYTBW-UHFFFAOYSA-N
rxn:4:215134:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(Sc4nc(N5CCOCC5)c5sccc5n4)cc3)c2Cl)CC1,FKOULCTUHJBVRH-UHFFFAOYSA-N
rxn:4:215146:224277,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)c3)c2C1,CRUGUJCXOVCMFT-UHFFFAOYSA-N
rxn:4:215197:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC4CN(c5ccccn5)CC43)c2)CC1,KZIAURULZKLDRX-UHFFFAOYSA-N
rxn:4:215214:227206,Cc1c(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)ccc2c1COC2=O,CDBTYEFAJMPHEH-UHFFFAOYSA-N
rxn:4:215214:227681,COC(Cn1cc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cn1)OC,NSCGMNPBZJPRDZ-UHFFFAOYSA-N
rxn:4:215216:226231,CCCCOc1ncc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1C,ZQMANQGHAPJLJU-UHFFFAOYSA-N
rxn:4:215276:223900,COc1cccc(C2=NN3C(C2)c2cc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)ccc2OC3c2ccncc2)c1,HRDIXOFJAKHHDL-UHFFFAOYSA-N
rxn:4:215708:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)nc3)ccn2)CC1,QLLMQKUNZMGLJJ-UHFFFAOYSA-N
rxn:4:215736:224009,COc1ccc(-c2cnc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1,UDGVHJVLDUTUPO-UHFFFAOYSA-N
rxn:4:215772:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,BJULBVBUOBBREM-UHFFFAOYSA-N
rxn:4:215785:223669,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nnn1C1CCCCC1,XSNRDMYBBKYOML-UHFFFAOYSA-N
rxn:4:215785:223712,COc1ccc(-c2nnn(C3CCCCC3)c2OC)cc1C12CC3CC(CC(C3)C1)C2,CFFQOWWMPIXNJA-UHFFFAOYSA-N
rxn:4:215817:223823,Cn1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(=O)N1CCCCC1,YJXSZUPTJHPRMV-UHFFFAOYSA-N
rxn:4:215898:224406,CS(=O)(=O)N1CCC(c2cnc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)CC1,CDJSURRKUBUXQZ-UHFFFAOYSA-N
rxn:4:215906:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(S(=O)(=O)N4CCN(C)CC4)c3)c(F)c2)CC1,AYLKSPQTPQOVHN-MXVIHJGJSA-N
rxn:4:215942:223728,CCCCCC1CCC(c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-UHFFFAOYSA-N
rxn:4:215975:223697,Cc1ccc(C2CN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)CCO2)cc1,JVICAOBNUKHHCM-UHFFFAOYSA-N
rxn:4:216252:224015,CC(=O)N1CCc2c(c(-c3cc(S(=O)(=O)N4CCOCC4)c(C)cc3F)nn2C2CCOCC2)C1,VYGZQEUIDDXLER-UHFFFAOYSA-N
rxn:4:216356:222529,COc1ccc(CNCc2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)cc2)cc1,DCNDRCROALJRAO-UHFFFAOYSA-N
rxn:4:216433:223482,Cc1c([N+](=O)[O-])n[nH]c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,ZOLSHMYGVULGFE-UHFFFAOYSA-N
rxn:4:216619:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nnc(N4CCCC4=O)s3)cn2)CC1,RKEJWNWGVIGSAD-UHFFFAOYSA-N
rxn:4:217115:223671,Cn1nc(C2CCOCC2)nc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QTBGQKTUSSUTQR-UHFFFAOYSA-N
rxn:4:217190:223823,CC1CCCCN1c1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,RFBIYLGGWDLKHK-UHFFFAOYSA-N
rxn:4:217191:223588,Cc1cc(-c2cncnc2N2CCCCCC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,LTRFFNYMSFXICA-UHFFFAOYSA-N
rxn:4:217209:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3nc(C)cc(N4CCCC(C)C4)n3)cc2C)CC1,MHMYVRGFUZTTTA-UHFFFAOYSA-N
rxn:4:217209:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc(C)cc(N4CCCC(C)C4)n3)c2)CC1,GFKXRJMPLLPMJM-UHFFFAOYSA-N
rxn:4:217894:223835,Cc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)c4c(nc23)CCC4)cc1S(=O)(=O)N1CCC(C)CC1,QBVISWFMLRDJPN-UHFFFAOYSA-N
rxn:4:218600:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnn(CCN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,OLWJPNRMQRBNEB-UHFFFAOYSA-N
rxn:4:218631:229314,Cc1ncsc1-c1cnc(OCC2CCN(C3CCN(CC(F)(F)F)C3=O)CC2)nc1,ZOGVWFIFUNITKZ-UHFFFAOYSA-N
rxn:4:218642:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c2)C1,UFIAJHQCOBCQDT-UHFFFAOYSA-N
rxn:4:218662:225984,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)CC2)c1,VIKUBJJJTIWSDC-UHFFFAOYSA-N
rxn:4:218663:225977,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)CC2)cc1,AYAMONZIKLHTIC-UHFFFAOYSA-N
rxn:4:218684:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)c1,PVQNNQBSMWAXDP-UHFFFAOYSA-N
rxn:4:218684:222799,Cc1cc(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)ccc1S(=O)(=O)NC(C)(C)C,NLBJAGQTTHIEET-UHFFFAOYSA-N
rxn:4:218684:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc(-c4ccc(C#N)c(N5CCN(C(=O)OC(C)(C)C)CC5)n4)c3)c2)CC1,HRGXCTKOVKAGKB-UHFFFAOYSA-N
rxn:4:218684:224414,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)c3)ccc2C#N)CC1,FOROICNZKRBHIA-UHFFFAOYSA-N
rxn:4:218696:222846,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C2CCCNC2)ccc1C#N,ZAJHICBJGNWMND-UHFFFAOYSA-N
rxn:4:218696:222956,Cc1ccc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)c(C2CCCNC2)c1,LXHUUORJIOPYAP-UHFFFAOYSA-N
rxn:4:218696:225881,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccc(C2CCOCC2)nc1F,JJDHRSDTMVLUTP-UHFFFAOYSA-N
rxn:4:218698:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CC(C(=O)N5CCN(CCc6ccncc6)CC5)CC4=O)cc3)c(F)c2)CC1,AFMVQWZGFXANGT-MLDCRLATSA-N
rxn:4:218698:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CC(C(=O)N5CCN(CCc6ccncc6)CC5)CC4=O)cc3)cc2)CC1,KQOBAENYQXIEJQ-BVRPOGDGSA-N
rxn:4:218699:227910,CCC(C)c1ccc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)cn1,DJAGHFYSRZVYJI-UHFFFAOYSA-N
rxn:4:218704:223671,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)n[nH]2)CC1,LMSYGYQWMYAYRX-UHFFFAOYSA-N
rxn:4:218706:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C)nn(CCC(=O)N4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)c3C)cc2C)CC1,FDXGEOPFSZEATL-UHFFFAOYSA-N
rxn:4:218711:222596,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)CC2)CC1,LPRXRNYNMMKERK-UHFFFAOYSA-N
rxn:4:218711:227923,CCOc1ccc(C)cc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,RGBNWCBDQKPWQI-UHFFFAOYSA-N
rxn:4:218714:223124,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccc(C(=O)NC(C)C)c4)c3C)CC2)c(C)c1,MNJWPIVGVIREJH-UHFFFAOYSA-N
rxn:4:218714:223199,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cccc(C5CCNC5)c4)c3C)CC2)c(C)c1,AXTJEXAIQQELQQ-UHFFFAOYSA-N
rxn:4:218755:227917,CCc1ccc(OC)c(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)c1,MFOWFUMHRKTCJJ-UHFFFAOYSA-N
rxn:4:218775:229318,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccsc4Cl)ccc32)CC1)N1CCCCCC1,YQABDBXBBLKMTG-UHFFFAOYSA-N
rxn:4:218834:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)c(F)c2)CC1,VZBDWVRVCMZCQD-SOAUALDESA-N
rxn:4:218851:223562,CN(c1cnc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CN(C(=O)OC(C)(C)C)C1,UPOOGAGANCNXHU-UHFFFAOYSA-N
rxn:4:218881:222634,O=C(c1ccncc1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,BOXXALGPYXKSSX-UHFFFAOYSA-N
rxn:4:218886:224759,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,OKHGXSOYZSZYHX-UHFFFAOYSA-N
rxn:4:218888:222546,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,FJWVDQLIWJCFDB-UHFFFAOYSA-N
rxn:4:218903:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C#N)CC1,FBIJDRLQIOWHSO-UHFFFAOYSA-N
rxn:4:218903:226792,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)nc3)cc2C#N)CC1,GOHKEEKGSQBFAS-UHFFFAOYSA-N
rxn:4:218993:223533,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)s1,NGDPPKWOOKTFTR-UHFFFAOYSA-N
rxn:4:219000:222447,COc1ccc2c(c1-c1ccc(S(=O)(=O)N3CCN(CCn4ncccc4=O)CC3)cc1)N=C(NC(=O)OC(C)(C)C)C2,AJYYSNSMYOWAGN-UHFFFAOYSA-N
rxn:4:219000:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(CCn5ncccc5=O)CC4)cc3)c2)CC1,IVEAGMQGIYWJKH-UHFFFAOYSA-N
rxn:4:219000:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(CCn3ncccc3=O)CC2)cc1,RSWQFENGHPKDSM-UHFFFAOYSA-N
rxn:4:219012:223671,CN(c1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,BDGMJRUBRGFMNU-UHFFFAOYSA-N
rxn:4:219026:223669,CC1CN(C(=O)c2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cnn2C)CCN1C(=O)OC(C)(C)C,UKCFGCSVXSJGMS-UHFFFAOYSA-N
rxn:4:219027:227667,CC(=O)c1ccc(F)c(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c1F,UBUFPBLJGJBPPS-UHFFFAOYSA-N
rxn:4:219031:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(CSc4nnc(-c5ccc(C(C)(C)C)cc5)n4N)cc3)ccc2F)CC1,LSWIQGQOTGNTNR-UHFFFAOYSA-N
rxn:4:219046:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1,RBYADEMHGLTTOB-UHFFFAOYSA-N
rxn:4:219046:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LJJFYYAURQLVPJ-UHFFFAOYSA-N
rxn:4:219051:224284,COc1ccc(COc2ncc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)cc1,DZQOLPYZYHHNCA-UHFFFAOYSA-N
rxn:4:219051:225561,CN(c1cnc(-c2ccccc2C(=O)OC(C)(C)C)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,ZOPJXIBPIOJWLS-UHFFFAOYSA-N
rxn:4:219053:222584,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)cn2)CC1,OXQBZQSZQCCBCW-UHFFFAOYSA-N
rxn:4:219053:223593,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)c3)cn2)CC1,YAWOQAXPULWWAC-UHFFFAOYSA-N
rxn:4:219062:226177,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccnc(C3CCCCC3)c2)C1,QASOMCADSUYGLD-UHFFFAOYSA-N
rxn:4:219120:225898,O=C(c1cncc(-c2cnn(CCN3CCOCC3)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,CFIIHARGMNMUJN-UHFFFAOYSA-N
rxn:4:219129:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c(F)c2)CC1,COUBOYUYOWLJDE-UHFFFAOYSA-N
rxn:4:219135:223740,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(O[Si](C)(C)C(C)(C)C)cc6ccccc56)c4)C3C2=O)cc1,KUQHIUWNLDAERW-UHFFFAOYSA-N
rxn:4:219135:224878,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccccc5COC5CCCCC5)c4)C3C2=O)cc1,WMIUXXCLIRSXBX-UHFFFAOYSA-N
rxn:4:219135:224960,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(OC6CCCC6)c5)c4)C3C2=O)cc1,DUJKYFQKBCZOGS-UHFFFAOYSA-N
rxn:4:219135:227555,CCOc1c(Cl)ccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)c1F,LLMCKVRFYCUZBW-UHFFFAOYSA-N
rxn:4:219136:223078,CCNS(=O)(=O)c1ccc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)c(C)c1,AJOWZXZFQIWYIN-UHFFFAOYSA-N
rxn:4:219155:222694,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c2)C3)nc1,JUBUXGGKSDSFTF-UHFFFAOYSA-N
rxn:4:219244:224830,CC(C)(C)OC(=O)N1CC(n2ncnc2-c2cc(C(F)(F)F)nn2C2CCCCO2)C1,KORKESAKPXPYCA-UHFFFAOYSA-N
rxn:4:219334:222927,Cc1nc(N2CCCCC2O)ncc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,PMMOAUNNCYQEEY-UHFFFAOYSA-N
rxn:4:219334:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,TYVXXHWFSIBDGF-UHFFFAOYSA-N
rxn:4:219334:225758,CC(C)(C)OC(=O)c1cnccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,YZZKYXCLOTXEBX-UHFFFAOYSA-N
rxn:4:219336:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnn(CC2CN(C(=O)N3CCOCC3)C2)c1,ZVRLKCIYBMRJSU-UHFFFAOYSA-N
rxn:4:219369:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1C,QMELNUPLWULIIM-OMOCHNIRSA-N
rxn:4:219369:224649,Cn1c(-c2cc(F)ccc2OCC2CCCCO2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,IBIHQDBNFCWOFG-WHCXFUJUSA-N
rxn:4:219370:224269,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)n2)C1,VPEQOCSIRFBCSM-UHFFFAOYSA-N
rxn:4:219370:225367,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3cnc(N4CCC(F)(F)CC4)nc3)n2)C1,ZKZOILBTTBBGEO-UHFFFAOYSA-N
rxn:4:219371:225233,CC1CCCN(c2cc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)C1,UZAKJMJQLULAHY-UHFFFAOYSA-N
rxn:4:219371:225849,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2cnc(N3CCCCC3)cc2F)CC1,GSDCUCFICBUPND-UHFFFAOYSA-N
rxn:4:219372:223578,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cnc(N3CCCCC3)nc2OCc2ccccc2)CC1,QSXYTBFPGWKSBK-UHFFFAOYSA-N
rxn:4:219372:225222,CC1CCCCN1c1cc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)c(F)cn1,JQQYILYVGDKGCI-UHFFFAOYSA-N
rxn:4:219374:223880,Cc1ccc2c(c1)cc(-c1cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn1)n2C(=O)OC(C)(C)C,PYALOHNIDYGPTJ-UHFFFAOYSA-N
rxn:4:219375:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(C4CCCN(C(=O)OC(C)(C)C)C4)nn3)cn2)CC1,KXYFYOSHUSBSSD-UHFFFAOYSA-N
rxn:4:219385:222546,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)c1F,WUUQPCVZNRCPSO-UHFFFAOYSA-N
rxn:4:219401:226718,COc1nc(OC)c(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cc1SC,QGPZCMWKFHKSPI-UHFFFAOYSA-N
rxn:4:219401:226760,COC(=O)c1cc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)cc(F)c1F,AGNCBKULOIGXRR-UHFFFAOYSA-N
rxn:4:219407:222584,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,HPGXSSGTMGZFHI-UHFFFAOYSA-N
rxn:4:219410:224009,COc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,AETZASJDOISYQM-UHFFFAOYSA-N
rxn:4:219432:222630,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCC4)nc(C4CCNCC4)c3)C2)cn1C,VDMCDJGQFGOTLL-UHFFFAOYSA-N
rxn:4:219456:226716,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccn(C(=O)OC(C)(C)C)n2)n1,VJBJAYSSEIXITR-UHFFFAOYSA-N
rxn:4:219464:223939,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cn2)CC1,UUMZKZYKYKBXGT-UHFFFAOYSA-N
rxn:4:219469:226884,CSc1ncc(-c2c(F)cc(C(F)(F)F)cc2F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,XGICZIVXQXNRPJ-UHFFFAOYSA-N
rxn:4:219530:223381,CCCNc1ncc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cn1,IQTATUZUACGQIH-UHFFFAOYSA-N
rxn:4:219552:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,ZIIRTMNIQFILNS-UHFFFAOYSA-N
rxn:4:219651:222515,COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,CNSZOFBZSXNYCJ-UHFFFAOYSA-N
rxn:4:219653:224120,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)ccc1CO[Si](C)(C)C(C)(C)C,ATUMUBIDSFSSFS-UHFFFAOYSA-N
rxn:4:219653:225709,CN(C)CCCOc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cn1,RBDRZIFPMPIKCB-UHFFFAOYSA-N
rxn:4:219688:224161,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cn3n2)CC1,QQGHROXMAMBGIW-UHFFFAOYSA-N
rxn:4:219689:225303,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(C(C)(C)C)nc(C(F)(F)F)c4)n3c2)CC1,RDGLFSLPGIBULQ-UHFFFAOYSA-N
rxn:4:219704:223581,COC(=O)c1cccc2cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)n(C(=O)OC(C)(C)C)c12,MGGRALDFKCNQSO-UHFFFAOYSA-N
rxn:4:219878:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,VCNJOJHUNUSPRJ-UHFFFAOYSA-N
rxn:4:219880:225889,CSc1ncc(-c2ccnn2COCC[Si](C)(C)C)c(N2CCN(S(C)(=O)=O)CC2)n1,SOXBMEQYPKUAHD-UHFFFAOYSA-N
rxn:4:219898:223532,Cc1ccnc(N2CCC(Oc3ccncc3-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)n1,MAXVDOCBXXQFTL-UHFFFAOYSA-N
rxn:4:219904:223834,Cc1cc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NFHUHJQEWJQGFL-UHFFFAOYSA-N
rxn:4:219934:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,CDWROMYLIKSEIZ-UHFFFAOYSA-N
rxn:4:219959:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,GMHBBCDEOMXEOX-UHFFFAOYSA-N
rxn:4:220021:223683,CCCC(=O)N1CCn2nc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)nc2C1,PWWYXXUSVXZMNM-UHFFFAOYSA-N
rxn:4:220021:223843,CCCC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3C(F)(F)F)nc2C1,ZTOFKWARIJZLRW-UHFFFAOYSA-N
rxn:4:220034:224325,CC(C)CC(=O)N1CCn2nc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)nc2C1,OKCYETVROBJFHU-UHFFFAOYSA-N
rxn:4:220034:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2n(n1)CCN(C(=O)CC(C)C)C2,BLTOMLNVPPCIQQ-UHFFFAOYSA-N
rxn:4:220038:223939,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)C1,FILGJJXZTVHHMF-UHFFFAOYSA-N
rxn:4:220038:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2C1,RCVLRXTVVYJPES-UHFFFAOYSA-N
rxn:4:220038:224774,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc(N3CCCC3)c(C(F)(F)F)c2)C1,BFGUDHWIQVSXSD-UHFFFAOYSA-N
rxn:4:220041:224775,CC(C)(C)OC(=O)N1CCn2nnc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)c2C1,RLBNGHCHMSTJAV-UHFFFAOYSA-N
rxn:4:220069:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,DRSKIGWCGBAQBK-UHFFFAOYSA-N
rxn:4:220069:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,GOQZWEWESSKBDJ-UHFFFAOYSA-N
rxn:4:220069:223935,CC(C)(C)OC(=O)N1CCc2nnc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)n2CC1,MIBOBHSZLXBVDH-UHFFFAOYSA-N
rxn:4:220070:223814,CC(C)(C)OC(=O)N1CCCn2nc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)nc2C1,LTGKJPFIYNGUKE-UHFFFAOYSA-N
rxn:4:220070:224991,CC(C)(C)OC(=O)N1CCCn2nc(-c3cc(C4CC4)nc(N4CCCC4)c3)nc2C1,JMOWYZSBXSALMA-UHFFFAOYSA-N
rxn:4:220118:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2C1,HRBJNSBVIBIYRH-UHFFFAOYSA-N
rxn:4:220154:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccccc3C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)c2)CC1,YNUMONMEWXQEKT-UHFFFAOYSA-N
rxn:4:220154:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,MGAXNMNZXYIKCI-UHFFFAOYSA-N
rxn:4:220497:223492,Cc1cc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NJFZCJKWACDJPK-UHFFFAOYSA-N
rxn:4:220806:223696,Cn1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)nc1N1CCOCC1,CGJOAJZPVDRMBV-UHFFFAOYSA-N
rxn:4:220935:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,JHCKUSLIUNNQEP-UHFFFAOYSA-N
rxn:4:221114:226716,CCOc1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,BPPMWRDWESKSPQ-UHFFFAOYSA-N
rxn:4:221121:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,HBPOVVRLZNXROL-UHFFFAOYSA-N
rxn:4:221121:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,HBPOVVRLZNXROL-YALZGCRRSA-N
rxn:4:221172:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)cc1OCC,FPNBXXIQKCJCQJ-UHFFFAOYSA-N
rxn:4:221177:223490,Cc1ccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,APHFKEDHYVFDLQ-UHFFFAOYSA-N
rxn:4:221177:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)nc1,POBRLAKWROTQKP-UHFFFAOYSA-N
rxn:4:221177:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)cnc1Cl,YEAWXEWGAYPMBT-UHFFFAOYSA-N
rxn:4:221180:224772,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)CC2)nn1C,JTAYEDIRQOAHIX-UHFFFAOYSA-N
rxn:4:221181:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)nn1C,WEJMKQZXLAFAEY-UHFFFAOYSA-N
rxn:4:221182:228456,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(SC)nc4OC)cn3)CC2)C1=O,IBONXJTXMKDOGL-UHFFFAOYSA-N
rxn:4:221182:228734,COCCN1C(=O)CN(C2CCN(c3ncc(-c4c(C)ccnc4OC)cn3)CC2)C1=O,ILUUUODIAPFJSX-UHFFFAOYSA-N
rxn:4:221195:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)c(F)c2)CC1,QJSPTRXKBHWMSR-DUYHBEBVSA-N
rxn:4:221204:224811,O=[N+]([O-])c1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccc1N1CCOCC1,GQIOKVQJRWDVOK-UHFFFAOYSA-N
rxn:4:221204:225588,c1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c(CN2CCSCC2)c1,JBVJUVJIQWZHQQ-UHFFFAOYSA-N
rxn:4:221205:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,TVCQZRGRYTVILF-UHFFFAOYSA-N
rxn:4:221207:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2)CC1,IYGUEZMZGONZKR-UHFFFAOYSA-N
rxn:4:221208:224761,Cc1cc(N2CCN(CCc3ccc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,GZEWDZJDFPJYCD-UHFFFAOYSA-N
rxn:4:221232:222584,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C1)CCOC2,SVGJVUBOFPVQRN-UHFFFAOYSA-N
rxn:4:221232:225984,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C1)CCOC2,DDUAWNNLNUZEDU-UHFFFAOYSA-N
rxn:4:221245:225313,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(N6CCN(C)CC6)nc5F)c4)CC3)nn2c1C,KKUPHMHCDJDKKO-UHFFFAOYSA-N
rxn:4:221249:222634,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OCCNC6CCCC6)c(F)c5)cnn4c3)cc2)CC1,VCNUHSCNCFTMKN-UHFFFAOYSA-N
rxn:4:221272:225975,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,LDXNVZVMLAMUPZ-UHFFFAOYSA-N
rxn:4:221350:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CC(c4nc(-c5ncccn5)no4)C3)cc2)cc1)N1CCC2(CC1)OCCO2,CKUDJPXFQMIADG-UHFFFAOYSA-N
rxn:4:221351:223520,CC(c1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JLLCWTCJNSJIGM-UHFFFAOYSA-N
rxn:4:221351:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)C1,VZRNBCPYNUZORY-UHFFFAOYSA-N
rxn:4:221418:222584,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nn1,AOUQYWDMCFAAHA-UHFFFAOYSA-N
rxn:4:221425:223058,Fc1cc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc(C2CCCNC2)n1,SAFJBSCYRFASQZ-UHFFFAOYSA-N
rxn:4:221425:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,AQGHSHCLJLUXME-UHFFFAOYSA-N
rxn:4:221425:224394,Cc1ccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)cc1S(=O)(=O)N1CCOCC1,VAMUNWUMPHFZGD-UHFFFAOYSA-N
rxn:4:221425:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,ZLKFQXIXVYGYRA-UHFFFAOYSA-N
rxn:4:221426:222741,c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,RNQCHXKQTMSCTN-UHFFFAOYSA-N
rxn:4:221426:223970,Cc1ccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1S(=O)(=O)N1CCC(C)CC1,WFMKPBSEPRQRDB-UHFFFAOYSA-N
rxn:4:221426:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)CC1,PYWRJIGNAYTJNO-UHFFFAOYSA-N
rxn:4:221431:222741,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(C4CC4)nc(C4CCCNC4)c3)CC2)n1,JVGPXGFLYSXHND-UHFFFAOYSA-N
rxn:4:221448:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5cc(N6CCOCC6)nc(C)n5)CC4)cc3)cc2)CC1,OYJCPCRBZPFBRQ-OHRWXDHWSA-N
rxn:4:221456:222975,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)cc4C)cc3)CC2)n1,JIWAUBSJKABRAH-UHFFFAOYSA-N
rxn:4:221596:223498,COCn1nc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)nc1N1CCN(C)CC1,ZGNVYTGMBPTXIC-UHFFFAOYSA-N
rxn:4:221604:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(F)c2)CC1,NUJMEDHUMBZQKV-HZCBDIJESA-N
rxn:4:221642:228454,COc1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)c(OC)nn1,KOQAHCZRKZQBTC-UHFFFAOYSA-N
rxn:4:221645:222630,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,GILCRQJENHODAM-UHFFFAOYSA-N
rxn:4:221645:222741,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)n1,QWWBIFBSWFOIJK-UHFFFAOYSA-N
rxn:4:221730:222634,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,KKLMEMBGDULACT-UHFFFAOYSA-N
rxn:4:221888:222466,CN1CCN(c2nc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nn2C)CC1,MGZHTYKGEIEVME-UHFFFAOYSA-N
rxn:4:221938:222584,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1,MMUATNAQBNJFHU-UHFFFAOYSA-N
rxn:4:221952:224830,Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)cc4)CC3)nn2)n1,CLHINANAHHCYLT-UHFFFAOYSA-N
rxn:4:221962:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)CC4)c3)cc2)CC1,LATCWFWTUQYYOU-DIVCQZSQSA-N
rxn:4:221972:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(Cc5nnc6n5CCC6)C4)nc3)cc2C1,FLXMVVJUANSGNF-UHFFFAOYSA-N
rxn:4:221972:224834,CN(C)S(=O)(=O)n1cc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(C(F)(F)F)n1,ZYLLFRYOXRARQM-UHFFFAOYSA-N
rxn:4:221972:224953,c1cc(OCC2CCCCC2)ncc1-c1cnc(OCC2CCCN(Cc3nnc4n3CCC4)C2)nc1,OOSZXQGZTVVDJK-UHFFFAOYSA-N
rxn:4:221978:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)ccc2F)CC1,RPTOGIMGGFWZSY-UHFFFAOYSA-N
rxn:4:221980:225977,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cnc5N5CCOCC5)c4)sc3n2)CC1,QPRUWLZRTIEKML-UHFFFAOYSA-N
rxn:4:221985:224162,Cn1cc(-c2nc3cnc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NKDSIOYYFBNLKJ-XMMPIXPASA-N
rxn:4:222039:228502,Cn1cc(C(F)(F)F)c(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)n1,OKFJIXQAWYSKQD-UHFFFAOYSA-N
rxn:4:222056:222699,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)cn3)CC2)nc(C2CC2)n1,LRBXNHJNIKXRFS-UHFFFAOYSA-N
rxn:4:222056:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)nc1,AQTFOMQVVSHHNV-UHFFFAOYSA-N
rxn:4:222056:225451,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(SC5CCCCC5)cc4)cn3)CC2)nc(C2CC2)n1,FLWJLMCFVZUYPY-UHFFFAOYSA-N
rxn:4:222137:222948,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,FAPQITPKMQIMDY-UHFFFAOYSA-N
rxn:4:222154:222465,Cc1nc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cn3)CC2)cc(C(F)(F)F)n1,AWTHMJPFNUZJQX-UHFFFAOYSA-N
rxn:4:222154:223658,Cc1nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cn3)CC2)cc(C(F)(F)F)n1,QDIIRVQIOWHFTF-UHFFFAOYSA-N
rxn:4:222155:223521,CC(c1cccc(-c2cnc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,FIUJCIAGDLPPFI-UHFFFAOYSA-N
rxn:4:222321:223521,CC(c1cccc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,LVDGTJFUPLMLLW-UHFFFAOYSA-N
rxn:4:222321:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCN(c5ccnc(N(C)C)n5)CC4)nc3)cc2C)CC1,ABWKWWHEZBWTGW-UHFFFAOYSA-N
rxn:4:222329:224771,Cc1ccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCCC1,ONUABDQDPMMUOY-UHFFFAOYSA-N
rxn:4:222332:223520,CC(c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,YAJCAWFOOPTEOB-UHFFFAOYSA-N
rxn:4:222332:224727,COC(=O)c1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(OC(C)(C)C)n1,HRUWEVQOXQQFKG-UHFFFAOYSA-N
rxn:4:222332:225320,Fc1c(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)ccc(N2CCOCC2)c1F,IGKJTXOFUVIUEA-UHFFFAOYSA-N
rxn:4:222332:225344,CC(C)Oc1ncc(C(F)(F)F)cc1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,TZPWPQPXZZXGNA-UHFFFAOYSA-N
rxn:4:222373:223844,Cc1cc(C)n(-c2cc(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)cn4)CC3)ncn2)n1,SYAIAFQMQLSHIF-UHFFFAOYSA-N
rxn:4:222389:206890,CN1CCCC(Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)C1,LHOCQZOOQDKMOO-UHFFFAOYSA-N
rxn:4:222393:184983,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(S(=O)(=O)CCCN3CCCC3)cc2)c1,BMMKVLWXTCZIHS-RQNOJGIXSA-N
rxn:4:222393:206749,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc([N+](=O)[O-])c(N3CCCC(F)(F)C3)c2)c1,ZUXICDNTZHVTMJ-MXVIHJGJSA-N
rxn:4:222511:206814,O=C(NC1CCCCC1)c1cc(-c2ccc(N3C(=O)CC(=O)N(C4CC4)C3=O)cc2)cc([N+](=O)[O-])c1,VJRVUBINDQGPEH-UHFFFAOYSA-N
rxn:4:222930:216252,CC(=O)N1CCc2c(c(-c3cnc(Cl)c(N4CCCC(O)C4)c3)nn2C2CCOCC2)C1,LPQMFPZVMVWOMK-UHFFFAOYSA-N
rxn:4:223540:189218,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(F)c1C(=O)ON1C(=O)CCC1=O,OBOXROVPEWGIQN-UHFFFAOYSA-N
rxn:4:223671:209809,Cc1cn(C2CCCCC2)nc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CNFXXMIDXCMSIT-UHFFFAOYSA-N
rxn:5:176854:225832:227611,COC(=O)c1cc(OC)c(-c2ccnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,IGSOCPISZRMJAT-UHFFFAOYSA-N
rxn:5:176861:225832:226469,COC(=O)c1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)c(-c2c(C)nn(C3CCCCO3)c2C)c1OC,DSWHUWVFWCYJQA-UHFFFAOYSA-N
rxn:5:176870:225832:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc(OC)c1C(=O)OC,OFJZZLQHIUNMMT-UHFFFAOYSA-N
rxn:5:177449:223010:222989,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2ccc(N3CCNCC3)cc2C)cc1OC(C)C,IOYDLLKAXFUQPM-UHFFFAOYSA-N
rxn:5:177449:226027:225440,COc1cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(-c2ccc(C3(C#N)CCCC3)cc2)cc1OC(C)C,QUGVUWLAISHKBI-UHFFFAOYSA-N
rxn:5:177732:226663:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCOCC3)nc2F)c1,KHDRSYKPDPTFQD-UHFFFAOYSA-N
rxn:5:177733:223061:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2cc(C3CCNCC3)ncc2F)c1,WKCFQHZCWWKVON-UHFFFAOYSA-N
rxn:5:177736:223061:225833,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(C3CCNCC3)ncc2F)c1,HSRPAIVUUUGTHZ-UHFFFAOYSA-N
rxn:5:177738:225661:225435,COc1cc(-c2ccccc2CN2CCCCC2)c(-c2ccc(N3CCOCC3)cc2C)cc1OC1CCC1,ABOJNFNREKTKJI-UHFFFAOYSA-N
rxn:5:177739:223056:225976,CC(C)(C)OC(=O)c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1-c1ccnc(N2CCOCC2)c1F,UNSHUQWAJJKIGP-UHFFFAOYSA-N
rxn:5:177850:222959:225452,CCOc1ccc(-c2ccc(C3CCNCC3)c(C)c2)c(C2OCCO2)c1-c1ccc(OC2C=CCCC2)cc1,XPCRNYUVGMGBHP-UHFFFAOYSA-N
rxn:5:177850:223010:226946,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCN(C)C2,UPIBXFLPFNQGRC-UHFFFAOYSA-N
rxn:5:177850:223139:226427,CCOc1ccc(-c2ccc(C3CCNCC3)nc2)c(C2OCCO2)c1-c1cc(N2CCC(C)CC2)cs1,JQWYSIHWURNBFQ-UHFFFAOYSA-N
rxn:5:177850:223202:225631,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(N2CCN(C)CC2)cc1,HRECALHZULOQGE-UHFFFAOYSA-N
rxn:5:177850:223202:225632,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCN(C)CC2)c1,JVTHEWFEVYNKAL-UHFFFAOYSA-N
rxn:5:177850:223202:225637,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccccc1N1CCN(C)CC1,JUVDNKUAXRJXRX-UHFFFAOYSA-N
rxn:5:177850:225625:227293,CCOc1ccc(-c2cc(OC3CCCC3)ccc2F)c(C2OCCO2)c1-c1cncc(OC(C)(C)C)c1,AENFQAHCPGAEPK-UHFFFAOYSA-N
rxn:5:177850:225631:223203,CCOc1ccc(-c2ccc(N3CCN(C)CC3)cc2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,NSVCGVVEOKVMHO-UHFFFAOYSA-N
rxn:5:177850:226033:223389,CCOc1ccc(-c2cc(OC)c(F)c(C(F)(F)F)c2)c(C2OCCO2)c1-c1c(C)n[nH]c1C(F)(F)F,JICJGFUQRNBTID-UHFFFAOYSA-N
rxn:5:177850:226085:223010,CCOc1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,WZMPPNUOKADITJ-UHFFFAOYSA-N
rxn:5:177850:226145:226346,CCOc1ccc(-c2ccc(OC3CCCC3)cc2)c(C2OCCO2)c1-c1cc(C)cc(OC(C)C)c1F,KVXFDAREGGOPQA-UHFFFAOYSA-N
rxn:5:177850:226924:223010,CCOc1ccc(-c2cc(C)cc(C3CC3)c2C)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,COTCWCZOKIIZRN-UHFFFAOYSA-N
rxn:5:177850:226959:223010,CCOc1ccc(-c2ccc3c(c2)CC(C)(C)O3)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,VYPUAUDAQUKXJF-UHFFFAOYSA-N
rxn:5:177850:227058:225446,CCOc1ccc(-c2cc(C3CC3)ccc2OC)c(C2OCCO2)c1-c1cc(C)cc(OC2CCCC2)c1,SFDCEHPKRPGABB-UHFFFAOYSA-N
rxn:5:177850:227131:225515,CCOc1ccc(-c2cccc(C3CCOC3)c2)c(C2OCCO2)c1-c1cccc2c1OCC(C)(C)CO2,ZLOFDKWPHKNGCW-UHFFFAOYSA-N
rxn:5:177851:223010:226913,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cc(CC)cc(C2CC2)c1,GFERQHONNNZBCB-UHFFFAOYSA-N
rxn:5:177851:225446:223010,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cc(C)cc(OC2CCCC2)c1,LOJVVDBFKKETGR-UHFFFAOYSA-N
rxn:5:177851:225446:223202,CCOc1c(-c2ccc(C3(O)CCC3)cc2)cc(C2OCCO2)cc1-c1cc(C)cc(OC2CCCC2)c1,MKUDAVCXAWIBNI-UHFFFAOYSA-N
rxn:5:177851:225447:226142,CCOc1c(-c2ccc(OC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1cccc(OC2CCCC2)c1,HKAGNZNBJXIJMK-UHFFFAOYSA-N
rxn:5:177851:225499:225929,CCOc1c(-c2ccc(S(=O)(=O)N(C)C)c(C)c2)cc(C2OCCO2)cc1-c1ccc(C2CCCCC2)cc1F,XHXXEQQGKACMTA-UHFFFAOYSA-N
rxn:5:177851:225625:225831,CCOc1c(-c2cnc(N3CCOCC3)c(C)c2)cc(C2OCCO2)cc1-c1cc(OC2CCCC2)ccc1F,KAGLFNDTUMXLNX-UHFFFAOYSA-N
rxn:5:177851:227574:226040,CCOc1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc(C2OCCO2)cc1-c1ccc(F)c(OC)c1OC,RREVGLDLJNASLQ-UHFFFAOYSA-N
rxn:5:177891:226652:223439,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C(F)(F)F)[nH]n2)n(C2CCCCO2)n1,FPDSSVCFHIFDKM-UHFFFAOYSA-N
rxn:5:177891:226900:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)s1)N1CCCC1,CXRYGAFFWCGKML-UHFFFAOYSA-N
rxn:5:177891:226900:228447,O=C(SC1CS(=O)(=O)CC1c1cccc(C(F)F)c1F)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,QCLUCFKGUKXCOE-UHFFFAOYSA-N
rxn:5:177891:226901:226774,O=C(SC1CS(=O)(=O)CC1c1ccc(OC(F)=C(F)F)cc1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,HMHNKHAABMRCNO-UHFFFAOYSA-N
rxn:5:177891:226901:227033,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)ccc1C1CC1,VKWJGUKAJRHIHK-UHFFFAOYSA-N
rxn:5:177891:226901:227985,CC(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)ccc1F,PTVLWZGGURCRRN-UHFFFAOYSA-N
rxn:5:177891:227279:223438,CC(C)n1nc(C2CC2)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cn[nH]c1C(F)(F)F,SWYREAXWSIADEN-UHFFFAOYSA-N
rxn:5:177891:227357:226900,CCC(=O)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(S(F)(F)(F)(F)F)cc2)ccc1F,MNBQJWWJBIBBPN-UHFFFAOYSA-N
rxn:5:177891:227679:227663,Cc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)OC(F)(F)O3)cc1C(F)(F)F,XNJCWZDGWRURQC-UHFFFAOYSA-N
rxn:5:177891:229048:226054,O=C(SC1CS(=O)(=O)CC1c1cnc(C(F)(F)C(F)(F)F)nc1)c1ccccc1-c1cnn2c1CCC2,OEKRQNODFXUKNW-UHFFFAOYSA-N
rxn:5:178117:225446:226452,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3ccc(C4OCCCO4)cc3)c(OCC3CCOCC3)c2)c1,MHGBOIBGVGAMHL-UHFFFAOYSA-N
rxn:5:178117:226571:227209,CC1(C)Oc2ccc(-c3ccc(-c4cnn(CC5CCOCC5)c4)cc3OCC3CCOCC3)cc2O1,AVWWOIPEVMSCFW-UHFFFAOYSA-N
rxn:5:178118:227285:225881,N#Cc1cnc(C2CC2)c(-c2ccc(-c3ccc(C4CCOCC4)nc3F)cc2OCC2CCCCO2)c1,QUWANRKLDBDZOI-UHFFFAOYSA-N
rxn:5:178118:227592:225394,COc1cc(F)cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2OCC2CCCCO2)c1OC,QRNTXZOZWZCNQO-UHFFFAOYSA-N
rxn:5:178120:226911:225868,CCc1cc(C)cc(CC)c1-c1cccc(OCC2CCOCC2)c1-c1ccc(N2CCOCC2)c(F)c1,UGNQJJTZHQZJTE-UHFFFAOYSA-N
rxn:5:178120:228200:223010,OC1(c2ccc(-c3c(OCC4CCOCC4)cccc3-c3ccnn3C3CCCC3)cc2)CCOCC1,RDDGJLNVWUSRAT-UHFFFAOYSA-N
rxn:5:178121:222995:226154,COc1cc(C(C)(C)C)ccc1-c1cccc(OCC2CCOCC2)c1-c1cccc(N2CCCC(O)C2)c1,OBMMYQFZHHEXCE-UHFFFAOYSA-N
rxn:5:178121:222998:226959,CC1(C)Cc2cc(-c3cccc(OCC4CCOCC4)c3-c3cc(F)cc(C4CCCNC4)c3)ccc2O1,AHYCCQOPFZPOLN-UHFFFAOYSA-N
rxn:5:178122:223202:225407,OC1(c2ccc(-c3ccc(COC4CCCCO4)c(-c4ccc(C5CCCCCC5)cc4)c3)cc2)CCC1,QLOYWPHLRMFMRK-UHFFFAOYSA-N
rxn:5:178122:225394:227371,COc1c(C)ccc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1OC,FOUFMYYKVZTJDE-UHFFFAOYSA-N
rxn:5:178122:225462:225445,CC1CCN(c2cccc(-c3ccc(COC4CCCCO4)c(-c4ccccc4OC4CCCCC4)c3)c2)CC1,FFJAKQKTGCWGDF-UHFFFAOYSA-N
rxn:5:178122:225499:227348,COc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c(C)c1OC,GKWHANYZWAPFOW-UHFFFAOYSA-N
rxn:5:178122:225499:227592,COc1cc(F)cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c1OC,CCAYKTIIHCJBHK-UHFFFAOYSA-N
rxn:5:178122:226148:225465,CN1CCC(c2cccc(-c3cc(-c4cccc(C#C[Si](C)(C)C)c4)ccc3COC3CCCCO3)c2)CC1,TYTFSTFVJZCHCY-UHFFFAOYSA-N
rxn:5:178122:226464:222991,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(N4CCCC(O)C4)cc3)c1)OCCO2,YDBQVNXOWLBPRP-UHFFFAOYSA-N
rxn:5:178122:226464:222995,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc(N4CCCC(O)C4)c3)c1)OCCO2,HXDMEHDNHLWJPE-UHFFFAOYSA-N
rxn:5:178122:226464:225445,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccccc3OC3CCCCC3)c1)OCCO2,WCDFTTDBVBFWRV-UHFFFAOYSA-N
rxn:5:178122:226464:225515,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc4c3OCC(C)(C)CO4)c1)OCCO2,AKLZKELFEPZTJR-UHFFFAOYSA-N
rxn:5:178122:227348:225394,COc1ccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c(C)c1OC,SMSXXKBNMMFYPJ-UHFFFAOYSA-N
rxn:5:178122:227561:225448,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3cc(C)ccc3OC3CCCC3)c2)cc1OC,ZOYZUIMVPURDSS-UHFFFAOYSA-N
rxn:5:178122:227592:225451,COc1cc(F)cc(-c2ccc(COC3CCCCO3)c(-c3ccc(SC4CCCCC4)cc3)c2)c1OC,UUAALUYRTTWHOF-UHFFFAOYSA-N
rxn:5:178224:225394:227361,COc1cc(-c2cc(OCC3CCCCC3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c(OC)cc1C,YPPPLAHIPVXZIJ-UHFFFAOYSA-N
rxn:5:178224:225625:227348,COc1ccc(-c2cc(OCC3CCCCC3)cc(-c3cc(OC4CCCC4)ccc3F)c2)c(C)c1OC,IXLSZXXZFJOIAZ-UHFFFAOYSA-N
rxn:5:178224:226148:222984,C[Si](C)(C)C#Cc1cccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2)c1,HXUHVYBCKDBUOL-UHFFFAOYSA-N
rxn:5:178226:225684:228016,Cc1nc(C2CCOCC2)ccc1-c1c(OCC2CCCCC2)cccc1-c1cc(C2CCCC2)cs1,SKVCSBCOAMAKDS-UHFFFAOYSA-N
rxn:5:178295:225805:225783,COC(=O)C1(c2cc(-c3ccc(OC)cc3-n3cccn3)ccc2-c2ccc(C(C)N3CCOCC3)s2)CCC(=O)CC1,JNCGYTXZITZKII-UHFFFAOYSA-N
rxn:5:178295:227315:227761,COC(=O)C1(c2cc(-c3ccc(F)cc3C(F)(F)F)ccc2-c2cnc(CC(C)C)cc2F)CCC(=O)CC1,OISYZSRJGWYBFZ-UHFFFAOYSA-N
rxn:5:178295:228389:227777,COC(=O)C1(c2cc(-c3cc(F)c(F)cc3[N+](=O)[O-])ccc2-c2cc(C)ccc2[N+](=O)[O-])CCC(=O)CC1,NTYLKTWTMTXTPX-UHFFFAOYSA-N
rxn:5:178295:228609:225824,COC(=O)C1(c2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)ccc2-c2ccc(C)c(OC)c2)CCC(=O)CC1,CTKNZWPWQUHDQY-UHFFFAOYSA-N
rxn:5:178295:229256:226652,COC(=O)C1(c2cc(-c3cc(C)nn3C3CCCCO3)ccc2-c2c(C)noc2C)CCC(=O)CC1,IGQLNOWNFOWARD-UHFFFAOYSA-N
rxn:5:178313:222957:226959,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc3c(c2)CC(C)(C)O3)cc(C2CCCNC2)c1,ABTFQWIUXNPLTB-UHFFFAOYSA-N
rxn:5:178313:225436:227675,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(CN3CCCCC3)cc2)c(F)c(F)c1C,WDWIQLYRUCFNPU-UHFFFAOYSA-N
rxn:5:178313:226645:225440,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc(C3(C#N)CCCC3)cc2)c1,SPIOGYNYVLKBDH-UHFFFAOYSA-N
rxn:5:178313:226907:225625,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2CCC32CC2)c(-c2cc(OC3CCCC3)ccc2F)c1,VGALAGIKZGLPNJ-UHFFFAOYSA-N
rxn:5:178314:226190:226040,Cc1c(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2O[Si](C)(C)C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-],WZDCKICBWSOOQG-UHFFFAOYSA-N
rxn:5:178315:222956:227532,CCOc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C)cc3C3CCCNC3)c2)c(F)c1F,CXKUWFHSOSJFNW-UHFFFAOYSA-N
rxn:5:178315:222998:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(F)cc(C3CCCNC3)c2)c1,XSAMSBQAGFSBRS-UHFFFAOYSA-N
rxn:5:178315:225407:227058,COc1ccc(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3CCCCCC3)cc2)c1,KVVNALAOLLINSR-UHFFFAOYSA-N
rxn:5:178315:225447:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC3CCCCC3)cc2)cc(-c2cccc3c2CCC32CC2)c1,YMGWYHIUZVEHON-UHFFFAOYSA-N
rxn:5:178368:226915:223010,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4(O)CCOCC4)cc3)c(C)c2)c(C)cc1-c1ccc(C2CCCC2)cc1,CRKPOPUKWKQQPG-UHFFFAOYSA-N
rxn:5:178466:223006:225633,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,AENDFWBFOLZAFR-UHFFFAOYSA-N
rxn:5:178466:223065:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,YZLSKPWYAHFYRZ-UHFFFAOYSA-N
rxn:5:178466:225833:225980,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,RMBXPMMAWWHHPZ-UHFFFAOYSA-N
rxn:5:178466:225976:225976,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,POHVGHFNIWWUBV-UHFFFAOYSA-N
rxn:5:178466:225976:225978,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCOCC2)nc1F,ARIVYXVXNVFAKN-UHFFFAOYSA-N
rxn:5:178467:223064:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,UMGNQOALKXXDHF-UHFFFAOYSA-N
rxn:5:178467:223138:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,UQGRBCGPYVDZFR-UHFFFAOYSA-N
rxn:5:178467:223294:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,VFYJMHCIOCNKFB-UHFFFAOYSA-N
rxn:5:178467:223389:226652,CCOC(=O)C1=Cc2cc(-c3cc(C)nn3C3CCCCO3)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC1,UWDFGNJOQMGNOZ-UHFFFAOYSA-N
rxn:5:178467:225601:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,DWMSPHBRSWTQQH-UHFFFAOYSA-N
rxn:5:178467:225636:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,OVIZPJSLFWJCPC-UHFFFAOYSA-N
rxn:5:178467:225833:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ORMVARPWIBNZKW-UHFFFAOYSA-N
rxn:5:178467:225834:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,ARAQLNFQDWEOTM-UHFFFAOYSA-N
rxn:5:178467:225976:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,HCAHWUVEGMFMGL-UHFFFAOYSA-N
rxn:5:178467:225980:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,MDNRSOJMPFKCNX-UHFFFAOYSA-N
rxn:5:178467:225982:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,ZZOWPUYFTIURKK-UHFFFAOYSA-N
rxn:5:178467:226366:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,NWIIIVPDGFHAMA-UHFFFAOYSA-N
rxn:5:178467:226395:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2OC1,CEUHFOUARSZHRE-UHFFFAOYSA-N
rxn:5:178467:226395:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,JASNHKCALRDPAE-UHFFFAOYSA-N
rxn:5:178467:227067:226739,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c([N+](=O)[O-])c3)cc(-c3ccc(OC)cc3C3CC3)c2OC1,BFNPPJBRZUWUOP-UHFFFAOYSA-N
rxn:5:178467:227376:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,UITDIVPKRMVRGV-UHFFFAOYSA-N
rxn:5:178467:227408:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(C4CCC4)ncc3F)c2OC1,FIKJJYNOLVGIDP-UHFFFAOYSA-N
rxn:5:178467:228712:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnn3C3CCC3)c2OC1,DZYMZJIAABADIC-UHFFFAOYSA-N
rxn:5:179629:225446:225809,COc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(S(C)(=O)=O)c1-c1cc(F)ccc1OC1CCOC1,MVXALRSLPGDOPA-UHFFFAOYSA-N
rxn:5:179629:226837:225832,COc1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(C)(=O)=O)c1-c1c(C)nn(C2CCCCO2)c1C,LOIJKWZEEDWOHC-UHFFFAOYSA-N
rxn:5:180021:225452:226212,CON=C1CCc2cc(-c3cc(C4OCCO4)cc(-c4ccc(OC5C=CCCC5)cc4)c3OC)ccc21,YSWRHZVNINRNHG-UHFFFAOYSA-N
rxn:5:180021:225452:226215,CO/N=C1\CCc2cc(-c3cc(C4OCCO4)cc(-c4ccc(OC5C=CCCC5)cc4)c3OC)ccc21,YSWRHZVNINRNHG-KKYHWDRJSA-N
rxn:5:180021:225611:226129,COc1cc(N2CCCC2)ccc1-c1cc(C2OCCO2)cc(-c2cccc(CN3CCCC3)c2)c1OC,BZDKEIZMJXLKQO-UHFFFAOYSA-N
rxn:5:180021:225809:226422,COc1c(-c2cc(F)ccc2OC2CCOC2)cc(C2OCCO2)cc1-c1cc(F)ccc1N1CCCC1,KDPNFQHVLOOIDV-UHFFFAOYSA-N
rxn:5:180022:222998:225466,COc1c(-c2ccc(N3CCCCC3C)cc2)ccc(-c2cc(F)cc(C3CCCNC3)c2)c1C1OCCO1,XYDWSRUJNWQEBO-UHFFFAOYSA-N
rxn:5:180022:223010:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,CUNSEKWDKLSWNY-UHFFFAOYSA-N
rxn:5:180022:223294:225928,COc1c(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc(-c2csc(N3CCNCC3)n2)c1C1OCCO1,SAZLVYDDWBPNGX-UHFFFAOYSA-N
rxn:5:180022:225499:225445,COc1c(-c2ccccc2OC2CCCCC2)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,VKBBLEXYQWSHMY-UHFFFAOYSA-N
rxn:5:180022:225514:226183,COc1c(-c2cnccc2C2CCCCC2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,WEYCHYCXJHHUOO-UHFFFAOYSA-N
rxn:5:180022:225671:225671,COc1c(-c2cc(C3CCCCC3)ncc2F)ccc(-c2cc(C3CCCCC3)ncc2F)c1C1OCCO1,KUTISJJWLQZDSD-UHFFFAOYSA-N
rxn:5:180022:225674:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2cnc(C3CCCCC3)cc2F)c1C1OCCO1,GIQKUNHCZPUKSG-UHFFFAOYSA-N
rxn:5:180022:226440:225677,COc1c(-c2ccc(C3CCCCC3)nc2F)ccc(-c2cc(F)nc(C3CCCC3)c2)c1C1OCCO1,RUEWMJNOTPHSDM-UHFFFAOYSA-N
rxn:5:180022:226735:225453,COc1c(-c2cccc(SC3CCCCC3)c2)ccc(-c2cc(C#N)cc(C(F)(F)F)c2)c1C1OCCO1,SBWMAVZALIZFNI-UHFFFAOYSA-N
rxn:5:180022:227449:225465,COc1c(-c2cccc(C3CCN(C)CC3)c2)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,QGWBWKJLXGYSMX-UHFFFAOYSA-N
rxn:5:180098:225446:225625,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2OC2CCCC2)c1,WOWVCGNUUYGJSY-UHFFFAOYSA-N
rxn:5:180204:226599:225879,CCOc1c(F)cc(-c2cc(-c3ccc(N4CCOCC4)cc3F)ccc2OC2CCOCC2)c(C)c1F,UVMSVTRRKISRKB-UHFFFAOYSA-N
rxn:5:180297:223281:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(C4(O)COC4)nc3)cc2OC)c(C2OCCO2)c1,ZGFPPNGSOHDTOU-UHFFFAOYSA-N
rxn:5:180297:226918:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccc(C4=CCCC4)cc3)cc2OC)c(C2OCCO2)c1,CCOASBBTJXNXOJ-UHFFFAOYSA-N
rxn:5:180297:227766:226029,CCOc1c(F)c(F)c(-c2cc(C3(C)OCCO3)c(-c3cc(C(F)(F)F)nn3CC)cc2OC)c(F)c1F,LSEKRYWCGXOULG-UHFFFAOYSA-N
rxn:5:180422:225498:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(CC3CCCCC3)ccc2-c2cc(C3CCCCC3)ccc2F)cc1,GSFRIZWAGGHNPX-UHFFFAOYSA-N
rxn:5:180506:226145:223202,CC(C)(C)c1cc(-c2ccc(OC3CCCC3)cc2)c(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1,YZYBTEPLSWGCRC-UHFFFAOYSA-N
rxn:5:180602:223064:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(C4CCNCC4)nc3F)c2O1,AWKWVPOGTMLWMH-UHFFFAOYSA-N
rxn:5:180602:226366:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3)c2O1,ICMYVQSHUZYPBR-UHFFFAOYSA-N
rxn:5:180602:226395:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2O1,WOPZUKHCMADROA-UHFFFAOYSA-N
rxn:5:181905:225640:226053,Cc1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)c(C2OCCO2)c1-c1ccnc(N2CCCCC2C)c1,OQSVIEDJQSJMQI-UHFFFAOYSA-N
rxn:5:182950:225832:226836,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(cc1-c1cn(C(C)C)nc1C(F)(F)F)OCCC2=O,UKHBWUYPQOXFQR-UHFFFAOYSA-N
rxn:5:188446:222404:226901,COC(=O)c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)c(-c2cccc(S(F)(F)(F)(F)F)c2)c([N+](=O)[O-])c1,VTPYAGLFPUVEQF-UHFFFAOYSA-N
rxn:5:188461:225616:226415,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccccc1N1CCOCC1,ULTPESYQAFAPLF-UHFFFAOYSA-N
rxn:5:188597:225816:225451,CCOc1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)c([N+](=O)[O-])c1-c1ccc(SC2CCCCC2)cc1,LVAFKJRITRZLBK-UHFFFAOYSA-N
rxn:5:188632:225881:226029,CCOc1c(F)c(F)c(-c2cc(-c3ccc(C4CCOCC4)nc3F)c(OC)nc2C(=O)OC)c(F)c1F,ARLQOONRYBZTGH-UHFFFAOYSA-N
rxn:5:188787:225445:226649,O=[N+]([O-])c1cc(-c2ccccc2OC2CCCCC2)c(-c2cccnc2N2CCOCC2)cc1OC1CC1,LIAYKDWZHFHXHK-UHFFFAOYSA-N
rxn:5:188930:227559:226035,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C)c(OC(F)F)c2)cc1-c1c(OC)ccc(C(F)(F)F)c1F,XIDYLOHWEHSJKW-UHFFFAOYSA-N
rxn:5:188931:226164:222405,COC(=O)c1cc(-c2ccc(N3CCCCC3)cc2)cc(S(N)(=O)=O)c1-c1cccc(C2NC(=O)NC2=O)c1,VMTCMYFBVUESCK-UHFFFAOYSA-N
rxn:5:188931:226854:226212,CON=C1CCc2cc(-c3c(C(=O)OC)cc(-c4c(F)ccc(OC)c4[N+](=O)[O-])cc3S(N)(=O)=O)ccc21,VHUGREUZXUCARE-UHFFFAOYSA-N
rxn:5:189000:226895:225881,CC(C)Oc1cc(-c2cc(F)c(C(F)(F)F)cc2F)c(-c2ccc(C3CCOCC3)nc2F)cc1[N+](=O)[O-],DOZZMTQTILLQMQ-UHFFFAOYSA-N
rxn:5:189207:223358:226411,CC(=O)Nc1ccc(-c2ccc(-c3ccc(N4CCOCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,FFGXLPWYEXTVFN-UHFFFAOYSA-N
rxn:5:189207:225584:228513,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1ccccc1C1CC1,MLOHJXZMYKGJDQ-UHFFFAOYSA-N
rxn:5:189207:225871:228629,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(C2CCC2)s1,VZPITVXOTWRDTJ-UHFFFAOYSA-N
rxn:5:189207:225873:227863,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1ccc2c(c1)CCCO2,UBTSBUNESRQNKZ-UHFFFAOYSA-N
rxn:5:189207:226084:226468,CN1C(=O)COc2c(-c3ccc(-c4ccc5c(c4)C(=O)CCCC5)cc3C(=O)ON3C(=O)CCC3=O)cccc21,DKYFSGGWJFVQEG-UHFFFAOYSA-N
rxn:5:189207:226185:227452,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1cccc(C2OCCO2)c1,BLTJGLZDQIDMGW-UHFFFAOYSA-N
rxn:5:189207:226319:226084,O=C1CCCCc2ccc(-c3ccc(-c4ccc(C(=O)N5CCC5)cc4)cc3C(=O)ON3C(=O)CCC3=O)cc21,RWZZGDJGZNCRNE-UHFFFAOYSA-N
rxn:5:189207:226332:225583,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCC2)ccc1-c1cccc(C(=O)N2CCCC2)c1,OZEIQAKAKZEMLC-UHFFFAOYSA-N
rxn:5:189207:226411:226158,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1ccccc1N1CCCCC1,UTFDOUMDMCTGKH-UHFFFAOYSA-N
rxn:5:189207:226452:228457,COC(=O)c1ncc(-c2ccc(-c3ccc(C4OCCCO4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cn1,TUHUOCVEVPHTGW-UHFFFAOYSA-N
rxn:5:189207:227044:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)C3CC3)cc2)ccc1-c1ccccc1N1CCOCC1,YMOSMQWEODJILO-UHFFFAOYSA-N
rxn:5:189207:227205:226783,COc1cc(F)c(F)c(OC)c1-c1ccc(-c2cccc3c2OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,UTBXSJYUFZPOCK-UHFFFAOYSA-N
rxn:5:189207:227679:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)ON1C(=O)CCC1=O,NHVIIMCLKAHGTD-UHFFFAOYSA-N
rxn:5:189207:227691:227203,COc1cc(-c2ccc(-c3ccc4c(c3)OCCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1[N+](=O)[O-],VJUIPSDVACPBGZ-UHFFFAOYSA-N
rxn:5:189207:227868:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OCCC3)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],FTBRXKPFLZYTLI-UHFFFAOYSA-N
rxn:5:189207:228071:226887,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCO3)ccc1-c1ccc(F)c(C(F)(F)F)c1F,IVOHXFDNLHUMJP-UHFFFAOYSA-N
rxn:5:189207:228283:226084,CC(=O)c1cc(F)ccc1-c1ccc(-c2ccc3c(c2)C(=O)CCCC3)c(C(=O)ON2C(=O)CCC2=O)c1,SCDMXOBVMHXZFS-UHFFFAOYSA-N
rxn:5:189207:228529:226033,COc1cc(-c2ccc(-c3ccc4c(c3)CCO4)cc2C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)c1F,BWFWJJPADPXMMR-UHFFFAOYSA-N
rxn:5:189208:225583:229090,CC(=O)c1cc(-c2cc(-c3cccc(C(=O)N4CCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cs1,AFDGEOWROIPPDI-UHFFFAOYSA-N
rxn:5:189208:225616:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccc(C2OCCO2)cc1,GDSPBBNBYQVKNT-UHFFFAOYSA-N
rxn:5:189208:225814:225633,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1-c1ccc(N2CCCCCC2)nc1,FUNKHCKCOCPXMI-UHFFFAOYSA-N
rxn:5:189208:225873:227824,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1ccc(C2CCC2)cc1,WXXPWZQPZJVJNT-UHFFFAOYSA-N
rxn:5:189208:225873:228149,COC(=O)c1ccccc1-c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1C(=O)ON1C(=O)CCC1=O,UCNXTGBXWBGOJC-UHFFFAOYSA-N
rxn:5:189208:226069:228345,COC(=O)c1sc(C)cc1-c1cc(-c2cccc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,XGCJPYLMZVOFCY-UHFFFAOYSA-N
rxn:5:189208:226069:228872,COC(=O)c1sccc1-c1cc(-c2cccc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,LLCADMZWTAHZLJ-UHFFFAOYSA-N
rxn:5:189208:226411:227187,CN1Cc2c(cccc2-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)C1=O,IZTZTVGEJJBIOY-UHFFFAOYSA-N
rxn:5:189208:226899:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1ccccc1C1CCOCC1,JLXNFFXDUDPDFK-UHFFFAOYSA-N
rxn:5:189208:227048:225871,CC(C)C(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(N4C(=O)C=CC4=O)c3)c2)cc1,AIFUKLDYUDMRQN-UHFFFAOYSA-N
rxn:5:189208:227183:225450,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C(=O)C5CCCC5)cc4)c3)ccc2C1=O,VUAIPVHARYLXBP-UHFFFAOYSA-N
rxn:5:189208:227197:227082,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4N4CCCC4)c3)cc2C1=O,RGYSTKUSHLERAK-UHFFFAOYSA-N
rxn:5:189208:227205:227735,Cc1ncc(-c2cc(-c3cccc4c3OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc1C(F)(F)F,PXXDTOZUFQFBBZ-UHFFFAOYSA-N
rxn:5:189208:227205:227799,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCCO3)cc1-c1cnc(C(F)(F)F)c(F)c1,GBKUGFCEBGWTRA-UHFFFAOYSA-N
rxn:5:189208:227506:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1-c1ccc(C2CCOCC2)s1,VTKYUEJMPXTGAJ-JLHYYAGUSA-N
rxn:5:189208:227679:226185,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1-c1ccc(C2CCOCC2)cc1,QWECGHMTTYZKJB-UHFFFAOYSA-N
rxn:5:189208:228019:226186,CC(=O)c1ccc(C)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCOCC3)c2)c1,OHRMBKMWKHTBPG-UHFFFAOYSA-N
rxn:5:189208:228066:226861,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1-c1ccc(OC(F)(F)F)c(F)c1,IILMLNWGNXVFDD-UHFFFAOYSA-N
rxn:5:189208:228077:226601,CC(C)Oc1ccc(F)c(F)c1-c1cc(-c2ccc3c(c2)C(=O)OC3)ccc1C(=O)ON1C(=O)CCC1=O,OTHOWTRMJUAEMH-UHFFFAOYSA-N
rxn:5:189208:228603:225620,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC4CCOCC4)cc3)c2)c1,FABLUXIRVGHSCZ-UHFFFAOYSA-N
rxn:5:189208:228717:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cn(C3CC3)nc2C)ccc1C(=O)ON1C(=O)CCC1=O,FYFFXEUJMUZLMG-UHFFFAOYSA-N
rxn:5:189209:225584:229091,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(=O)N3CCCC3)cc2)c1,ZSBREUMHEFNTJH-UHFFFAOYSA-N
rxn:5:189209:226084:227505,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(-c2ccc3c(c2)C(=O)CCCC3)c1,LYWQPQPOWPKRSM-BUHFOSPRSA-N
rxn:5:189209:226186:228243,CC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccccc3C3CCOCC3)c2)c1F,DMEHCZLWPDMXSD-UHFFFAOYSA-N
rxn:5:189209:227197:227386,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnn(C5CCCCC5)c4)c3)cc2C1=O,YPORTBRPGJONPC-UHFFFAOYSA-N
rxn:5:189209:228077:226438,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)OC3)cc(-c2cnc(C3CCCC3)cc2F)c1,CIIHEZFRHPHNQL-UHFFFAOYSA-N
rxn:5:189210:223186:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2cnn(C3CCCCO3)c2)c1C(=O)ON1C(=O)CCC1=O,IYHBHRXWQKORMG-UHFFFAOYSA-N
rxn:5:189210:225450:227183,CN1Cc2cc(-c3cccc(-c4ccc(C(=O)C5CCCC5)cc4)c3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,NPXCHMLGARPUFU-UHFFFAOYSA-N
rxn:5:189210:225584:228601,CC(=O)c1ccccc1-c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,ASRLATSJOBVABG-UHFFFAOYSA-N
rxn:5:189210:225620:229168,COc1nc(C)sc1-c1cccc(-c2ccc(OC3CCOCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,DLZCSDFZAQSZTP-UHFFFAOYSA-N
rxn:5:189210:225832:229273,COc1ncsc1-c1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(=O)ON1C(=O)CCC1=O,HCTMTSVHYOGGGB-UHFFFAOYSA-N
rxn:5:189210:225871:227679,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccc2c(c1)OC(F)(F)O2,PLYCWDBEDRPIPG-UHFFFAOYSA-N
rxn:5:189210:226187:223388,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(S(=O)(=O)O)cc2)cccc1-c1cccc(C2CCOCC2)c1,LMVMMSXSHUUESE-UHFFFAOYSA-N
rxn:5:189210:226750:228653,COc1ccc(C(F)(F)F)cc1-c1cccc(-c2cnn3c2CCCC3)c1C(=O)ON1C(=O)CCC1=O,AXJAKHQBSMEVID-UHFFFAOYSA-N
rxn:5:189210:228174:225873,CC(=O)Oc1ccc(-c2cccc(-c3cccc(N4CCOCC4=O)c3)c2C(=O)ON2C(=O)CCC2=O)cc1,IIWVDXLOJDVXCK-UHFFFAOYSA-N
rxn:5:189210:228499:226971,Cn1nc(C(F)(F)F)cc1-c1cccc(-c2ccc3c(c2)CCCOC3)c1C(=O)ON1C(=O)CCC1=O,YPOJSEUSKOMQSD-UHFFFAOYSA-N
rxn:5:189211:225584:226332,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1ccccc1C(=O)N1CCC1,MBPOZMFMUGBDRP-UHFFFAOYSA-N
rxn:5:189211:225926:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1ccc(N2CCOCC2)cc1,WLDXMKOWNADJFF-UHFFFAOYSA-N
rxn:5:189211:227085:225576,N#Cc1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCC3)nc2)ccc1N1CCCC1,RTEVTUQVSAIBDO-UHFFFAOYSA-N
rxn:5:189211:227446:226319,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3OCCO3)cc2)c1-c1ccc(C(=O)N2CCC2)cc1,CNZRYEJXMSZMFM-UHFFFAOYSA-N
rxn:5:189211:227680:227357,CCC(=O)c1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2OC(F)(F)O3)ccc1F,MHPKOTTUMKPPGZ-UHFFFAOYSA-N
rxn:5:189211:228241:226415,CC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccccc2N2CCOCC2)ccc1F,MDXIQGQGTZINHZ-UHFFFAOYSA-N
rxn:5:189211:228484:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc([N+](=O)[O-])c(F)c2)c1-c1ccccc1C1CCOCC1,YRWAXGUREJCUJD-UHFFFAOYSA-N
rxn:5:189211:228871:226452,COC(=O)c1ccsc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1ccc(C2OCCCO2)cc1,YDULAVUUWLYKOX-UHFFFAOYSA-N
rxn:5:189212:225407:228894,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])c(-c2ccc(C3CCCCCC3)cc2)c1,WPLXTLJNNSELAN-UHFFFAOYSA-N
rxn:5:189212:225616:226738,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1,VCGJETMVYLCOOQ-UHFFFAOYSA-N
rxn:5:189212:225622:229089,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccccc1OC1CCCCO1,BXTQPUPPKUMAGE-UHFFFAOYSA-N
rxn:5:189212:225640:225465,CC1CCCCN1c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCN(C)CC3)c2)ccn1,SKMWKBJRIPRNEU-UHFFFAOYSA-N
rxn:5:189212:225871:227065,CC(C)C(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)c1,BYLJXRYCWLXCPF-UHFFFAOYSA-N
rxn:5:189212:225943:229266,Cc1nc(C)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C(=O)N3CCOCC3)s2)o1,HRWJNZGGGWTPEX-UHFFFAOYSA-N
rxn:5:189212:226084:228245,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)C(=O)CCCC3)cc1F,XDLJFWBXJVJPIN-UHFFFAOYSA-N
rxn:5:189212:226186:227546,COC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C2CCOCC2)c1F,OBZYCMADQNVKFK-UHFFFAOYSA-N
rxn:5:189212:226186:227920,CCC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2C2CCOCC2)cc1,NYQPNLXRWIUCMR-UHFFFAOYSA-N
rxn:5:189212:226899:228002,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,JEMKCYXVCHBYDM-UHFFFAOYSA-N
rxn:5:189212:226980:227044,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2)c(-c2cccc3c2C(=O)CCC3)c1,DOACGPHRJBXBKJ-UHFFFAOYSA-N
rxn:5:189212:227103:228483,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2F)c(-c2sccc2C2CCCCC2)c1,IESYXDNJVIGZNI-UHFFFAOYSA-N
rxn:5:189212:227203:226854,COc1ccc(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OCCCO3)c1[N+](=O)[O-],PPZUEXIKQBLXCX-UHFFFAOYSA-N
rxn:5:189212:227679:223269,CC(=O)Nc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OC(F)(F)O3)cc1F,TZGWJBOYBGNMOG-UHFFFAOYSA-N
rxn:5:189212:227875:226737,N#Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2CCCO3)ccc1C(F)(F)F,CEHHWMCEWQPRFC-UHFFFAOYSA-N
rxn:5:189212:228078:226765,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)COC3=O)c(F)c1F,SIQSEZAJOIPOGL-UHFFFAOYSA-N
rxn:5:189212:228079:225450,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)C3CCCC3)cc2)c(-c2cccc3c2COC3=O)c1,LGOHYPWZPXJWED-UHFFFAOYSA-N
rxn:5:189212:228079:226782,COC(=O)c1cc(F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2COC3=O)cc1F,MZXFCHHIDJGFIC-UHFFFAOYSA-N
rxn:5:189212:228079:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCOCC3)s2)c(-c2cccc3c2COC3=O)c1,UHFAMVDSIMXTIG-UHFFFAOYSA-N
rxn:5:189212:228894:225451,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccccc2[N+](=O)[O-])c1,TZKCTJIFPAIQSB-UHFFFAOYSA-N
rxn:5:189335:225805:227381,COc1cc(C(=O)N(C)C)cc(-c2ccc(C(C)N3CCOCC3)s2)c1-c1cnc(C2CCCC2)nc1,XZNXJNSTIZGBLR-UHFFFAOYSA-N
rxn:5:189337:225884:225407,COc1c(-c2ccc(C3CCCCCC3)cc2)cc(C(=O)N(C)C)cc1-c1ccc(C2COCCO2)c(F)c1,RFECDZOSTJNGGX-UHFFFAOYSA-N
rxn:5:189448:222995:227575,COc1ccc(OC)c(-c2cc(C(=O)N3CC(OC)C3)ccc2-c2cccc(N3CCCC(O)C3)c2)c1F,KJFWOADOUJVVIP-UHFFFAOYSA-N
rxn:5:189449:222995:227074,CCOc1c(C)cc(C)cc1-c1ccc(-c2cccc(N3CCCC(O)C3)c2)c(C(=O)N2CC(OC)C2)c1,ZWTIQQDEAJWOFK-UHFFFAOYSA-N
rxn:5:189449:225810:225868,COc1ccc(-c2ccc(-c3ccc(N4CCOCC4)c(F)c3)cc2C(=O)N2CC(OC)C2)c(C2OCCO2)c1,QZBKDXQMCISHBA-UHFFFAOYSA-N
rxn:5:189540:222991:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)cc1CN1CC(OC)C1)OCCO2,DYDDEOMTQZQSAK-UHFFFAOYSA-N
rxn:5:189540:226464:222991,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CN3CC(OC)C3)c1)OCCO2,KJZKWFJCYRKYHQ-UHFFFAOYSA-N
rxn:5:189665:226085:225407,CC1(C)CCc2cc(-c3cnc(OCC4CCOCC4)c(-c4ccc(C5CCCCCC5)cc4)c3)ccc2O1,JWXQGLLTSHTYPI-UHFFFAOYSA-N
rxn:5:189668:226837:228499,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cc(C(F)(F)F)nn2C)ccc1CC(=O)N1CCCC1,FOZDZNVXAKSVMY-UHFFFAOYSA-N
rxn:5:189675:226054:228501,Cn1ncc(-c2ccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)c(/C=N/S(=O)C(C)(C)C)c2)c1C(F)(F)F,WTWPXIYFYQXPIM-FTFSGFEDSA-N
rxn:5:189778:226464:222991,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CCN3CCCC3)c1)OCCO2,HUCGFPBBAVFTSR-UHFFFAOYSA-N
rxn:5:189778:226464:222995,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)c(CCN3CCCC3)c1)OCCO2,YQLJUPIOMUEEPW-UHFFFAOYSA-N
rxn:5:189778:226464:223010,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CCN3CCCC3)c1)OCCO2,GLCQQGJVRFLIJD-UHFFFAOYSA-N
rxn:5:189826:228107:223063,CCC(C)c1ncncc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1CC(=O)N1CCOCC1,BRGKGGMKQJCTGF-UHFFFAOYSA-N
rxn:5:189826:228653:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(CC(=O)N2CCOCC2)c(-c2cnn3c2CCCC3)c1,GHEKMCPXZUPEOG-UHFFFAOYSA-N
rxn:5:189827:225946:226869,CC(=O)c1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cc(F)cc(OC(F)(F)F)c2)cc(C(F)(F)F)c1,DIKUTRWKDQUDCY-UHFFFAOYSA-N
rxn:5:189827:226323:227344,CC(C)Oc1ccc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(OC3CCCC3)nc2)cc1F,KKTZINWDJIWEDP-UHFFFAOYSA-N
rxn:5:189829:223134:227532,CCOc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3cnccc3C3CCCNC3)c2OC)c(F)c1F,PZYTWUNKQWTFFM-UHFFFAOYSA-N
rxn:5:189908:225832:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2c(C)nn(C3CCCCO3)c2C)cc1OCC1CCCCC1,WHRAKUBIYPPGMC-UHFFFAOYSA-N
rxn:5:189908:226837:228499,Cc1nn(CC(F)(F)F)c(C)c1-c1cnc(-c2cc(C(F)(F)F)nn2C)c(OCC2CCCCC2)c1,PCAMPGSFRZKGJJ-UHFFFAOYSA-N
rxn:5:189908:227766:226425,CCn1nc(C(F)(F)F)cc1-c1cnc(-c2ccc(N3CCCCC3C)s2)c(OCC2CCCCC2)c1,WCRXKBPBTKXBSA-UHFFFAOYSA-N
rxn:5:189909:222991:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CCN3CCOCC3)c1)OCCO2,AVWNHGKJAVIXLK-UHFFFAOYSA-N
rxn:5:189909:223064:225834,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(CCN2CCOCC2)c1,PYUJRQCZXPSTBV-UHFFFAOYSA-N
rxn:5:189909:226588:225655,CC1CCN(c2cncc(-c3ccc(-c4cc(OC5CCC5)ncc4F)c(CCN4CCOCC4)c3)c2)CC1,MOZCZENEZZAPMJ-UHFFFAOYSA-N
rxn:5:189952:223006:223113,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,DBSZZERNWUFOGY-UHFFFAOYSA-N
rxn:5:189952:223061:226644,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,FKHDUBNDCDTUNR-UHFFFAOYSA-N
rxn:5:189952:225456:227532,CCOc1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(C4CCN(C)CC4)cc3)c2OC)c(F)c1F,DHOUTPADISPRTF-UHFFFAOYSA-N
rxn:5:189952:225618:228567,CCC(C)c1sccc1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(OC3CCCCO3)c2)c1OC,ZHVLOCCJLWQNRJ-UHFFFAOYSA-N
rxn:5:189952:225933:227919,CCOc1cc(C)cc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2OC)c1,UGIVIIFPQYEDIA-UHFFFAOYSA-N
rxn:5:189952:226031:226148,COc1c(-c2cccc(C#C[Si](C)(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(C(F)(F)F)cc1C(F)F,SASUVVUGTTXBGO-UHFFFAOYSA-N
rxn:5:189952:226571:225976,COc1c(-c2cnn(CC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DHFPJMVUMKYIGM-UHFFFAOYSA-N
rxn:5:189952:226762:227088,COc1c(-c2cc(SC)cc(C(F)(F)F)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C)nc(C(C)(C)C)c1,GMIPFQURCRJOLH-UHFFFAOYSA-N
rxn:5:189952:227983:226177,COc1c(-c2ccnc(C3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccccc1[Si](C)(C)C,NIZLBZSLLPKLDY-UHFFFAOYSA-N
rxn:5:189952:228155:227656,COc1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(N4CCOCC4)cs3)c2OC)cc1OC,GOXVBFKFMZAMJB-UHFFFAOYSA-N
rxn:5:190000:226738:227679,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2CC(=O)N2CCCCC2)c([N+](=O)[O-])c1,VPWBJDIOEWMXTM-UHFFFAOYSA-N
rxn:5:190000:226900:227068,CC(C)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)c(F)c1,QZZFYVSINDWYGY-UHFFFAOYSA-N
rxn:5:190097:225435:223200,c1ccc(-c2ccc(-c3ccc(C4CCNC4)cc3)c(CCN3CCCCC3)c2)c(CN2CCCCC2)c1,ZHHHLEYICKRFQN-UHFFFAOYSA-N
rxn:5:190097:226464:223010,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CCN3CCCCC3)c1)OCCO2,JYTMLUUOSREWOS-UHFFFAOYSA-N
rxn:5:190097:226464:223143,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCC(O)C4)c3)c(CCN3CCCCC3)c1)OCCO2,SCUKWOLQOYMFRW-UHFFFAOYSA-N
rxn:5:190097:226464:223144,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)C4)cc3)c(CCN3CCCCC3)c1)OCCO2,IWSYJZNKBSYCII-UHFFFAOYSA-N
rxn:5:190097:227053:222984,CC(C)(C)Oc1cccc(-c2ccc(-c3ccc(CN4CCC(O)C4)cc3)c(CCN3CCCCC3)c2)c1,XSDCKBWAYSCLMX-UHFFFAOYSA-N
rxn:5:190127:226732:228243,COC1CCN(C(=O)c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)ccc2-c2cccc(C(C)=O)c2F)CC1,HKQFBJUNWJLPKQ-UHFFFAOYSA-N
rxn:5:190127:227067:226026,COc1ccc(-c2ccc(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)c(C(=O)N3CCC(OC)CC3)c2)c(C2CC2)c1,BHDAHUXCJHEKMK-UHFFFAOYSA-N
rxn:5:190127:227587:227052,COc1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C(=O)N3CCC(OC)CC3)c2)cc(F)c1OC,STQGIIKAXRXKEI-UHFFFAOYSA-N
rxn:5:190128:226343:227934,CCOc1ccc(C)c(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(OC3CCOC3)cc2)c1,VLQJWJGTBPUULY-UHFFFAOYSA-N
rxn:5:190128:227498:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1cnc(N(C)C)cc1OC,JEHVNSNWRYIKLW-UHFFFAOYSA-N
rxn:5:190128:228764:223007,COc1nccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cc(F)cc(C3CCNCC3)c2)c1C,REYIPGAYHQYUML-UHFFFAOYSA-N
rxn:5:190131:222415:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(F)c(S(N)(=O)=O)c2)c1OC,ASSIIKAXGYSVAZ-UHFFFAOYSA-N
rxn:5:190131:226845:226835,COc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C(F)(F)F)nn2C(C)C)c1OC,CFRPWNBWSLGFAH-UHFFFAOYSA-N
rxn:5:190131:227069:225809,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cc(F)ccc3OC3CCOC3)c2OC)c(C(C)C)c1,DVKMVNDEOWFMPK-UHFFFAOYSA-N
rxn:5:190132:223000:223010,COC1CCN(C(=O)c2ccc(-c3ccc(C4CCCNC4)c(F)c3)cc2-c2ccc(C3(O)CCOCC3)cc2)CC1,RBDHVAGXCKMRIX-UHFFFAOYSA-N
rxn:5:190177:226900:227804,O=C1CC(Sc2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,RRTVMVIVGNOWOJ-UHFFFAOYSA-N
rxn:5:190194:222957:225446,COC1CCN(Cc2cccc(-c3cc(C)cc(C4CCCNC4)c3)c2-c2cc(C)cc(OC3CCCC3)c2)CC1,JZBFLYHGMRBKFA-UHFFFAOYSA-N
rxn:5:190194:223010:225498,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2cc(C3CCCCC3)ccc2F)CC1,MUERROWCJWXFKT-UHFFFAOYSA-N
rxn:5:190194:223010:225499,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2ccc(C3CCCCC3)cc2F)CC1,ZUASVZIAQAFSOO-UHFFFAOYSA-N
rxn:5:190194:223010:227875,COC1CCN(Cc2cccc(-c3ccc(C4(O)CCOCC4)cc3)c2-c2cccc3c2CCCO3)CC1,KUZDMJVGTMCUEP-UHFFFAOYSA-N
rxn:5:190194:225874:227185,COC1CCN(Cc2cccc(-c3ccc(F)c(N4CCOCC4)c3)c2-c2ccc3c(c2)N(C)CCO3)CC1,ZRYRNEIXFGDMCD-UHFFFAOYSA-N
rxn:5:190194:226464:226971,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc3c(c1)CCCOC3)OCCO2,PRNKLCHKBOCAHA-UHFFFAOYSA-N
rxn:5:190194:226464:227205,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cccc3c1OCCCO3)OCCO2,NFSFYFKIJFZTHE-UHFFFAOYSA-N
rxn:5:190194:227203:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1ccc3c(c1)OCCCO3)OCCO2,LMGLDQPSECDMPV-UHFFFAOYSA-N
rxn:5:190194:227205:226464,COc1ccc2c(c1-c1c(CN3CCC(OC)CC3)cccc1-c1cccc3c1OCCCO3)OCCO2,GFUJIEBUXKWTKF-UHFFFAOYSA-N
rxn:5:190195:222417:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3cnc(=O)[nH]c3C(C)C)c2)CC1,LFXRSMDSPDIWBK-UHFFFAOYSA-N
rxn:5:190195:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCOCC2)nc1,UOOQGBMUTBGKRH-UHFFFAOYSA-N
rxn:5:190195:225982:227960,CN(Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccncc2C2CCC2)c1)C1CCOCC1,VTXNSWXBWBBBRK-UHFFFAOYSA-N
rxn:5:190196:228417:225641,CC1CCCN(c2cc(-c3cc(-c4ccc(F)c(C(F)F)c4)ccc3CN(C)C3CCOCC3)ccn2)C1,XRRONYIPOWVWOQ-UHFFFAOYSA-N
rxn:5:190197:222984:227925,CC(C)Oc1cccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCC(O)C4)cc3)c2)c1,USYUTLNQGGFMCZ-UHFFFAOYSA-N
rxn:5:190197:223139:227675,COc1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)c(F)c(F)c1C,AVCWIHMHISAVAC-UHFFFAOYSA-N
rxn:5:190197:225811:228162,CCOc1c(F)cccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1,AXZAXWYCFWINHO-UHFFFAOYSA-N
rxn:5:190197:226191:225515,CN(Cc1ccc(-c2cccc3c2OCC(C)(C)CO3)cc1-c1cc(C2CCCC2)ccc1F)C1CCOCC1,VECXGTQITXMQFZ-UHFFFAOYSA-N
rxn:5:190197:227458:225976,CN1CCOc2cc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3CN(C)C3CCOCC3)cnc21,VUNJSOBXLGLRMC-UHFFFAOYSA-N
rxn:5:190197:227679:222981,CN(Cc1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1ccc2c(c1)OC(F)(F)O2)C1CCOCC1,QZIRADWDOHCNHO-UHFFFAOYSA-N
rxn:5:190198:225591:228464,CN(Cc1c(-c2cncc(OC(F)F)c2)cccc1-c1cc(CN2CCCC2)ccc1F)C1CCOCC1,XEPKHQPOVNXXJH-UHFFFAOYSA-N
rxn:5:190198:226974:226611,CCc1ccc(C(F)(F)F)cc1-c1cccc(-c2ccc3c(c2)COC3(C)C)c1CN(C)C1CCOCC1,QZGXZNLUNTXECE-UHFFFAOYSA-N
rxn:5:190198:227059:225809,COc1ccc(-c2cccc(-c3cc(F)ccc3OC3CCOC3)c2CN(C)C2CCOCC2)cc1C(C)C,YAGHFBWFYRNBLV-UHFFFAOYSA-N
rxn:5:190199:226864:222415,CN(Cc1cc(-c2ccc(F)c(S(N)(=O)=O)c2)ccc1-c1cc(F)c(OC(F)F)c(F)c1)C1CCOCC1,JNZXQYJAWGMBAD-UHFFFAOYSA-N
rxn:5:190199:227684:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,MJBUGYNJAMJPAU-UHFFFAOYSA-N
rxn:5:190200:227069:225809,COc1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(F)ccc3OC3CCOC3)c2)c(C(C)C)c1,YCYAEPBNGHIGIG-UHFFFAOYSA-N
rxn:5:190201:222959:227351,COC(=O)c1c(C)cccc1-c1ccc(-c2ccc(C3CCNCC3)c(C)c2)cc1CCN1CCOC(C)C1,RWPAJXICUBXDNO-UHFFFAOYSA-N
rxn:5:190201:223113:223061,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cc(C3CCNCC3)ncc2F)CCO1,FMMLIQSADKTUMB-UHFFFAOYSA-N
rxn:5:190231:225641:223062,COc1c(-c2ccnc(N3CCCC(C)C3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(C2CCNCC2)cc1F,LSHUOLFKYSKERH-UHFFFAOYSA-N
rxn:5:190231:225980:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCOCC2)ncc1F,GEXNAZHOSBGOMU-UHFFFAOYSA-N
rxn:5:190231:226663:228811,COc1c(-c2ccc(N3CCSCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(SC)ccc1F,MKBQLJZMJNEYPR-UHFFFAOYSA-N
rxn:5:190231:227387:227968,COc1c(-c2ccnc(N3CCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,CAYDCRHUYAAWEP-UHFFFAOYSA-N
rxn:5:190231:227780:227095,COc1c(-c2ccc(C3CC(=O)C3)cc2)cc(C(=O)N2CCOC(C)C2)cc1-c1c(F)ccc([N+](=O)[O-])c1F,OZVFYUMWISXJLW-UHFFFAOYSA-N
rxn:5:190231:228653:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cnn3c2CCCC3)c1OC,PCYPDYAEAPCDQK-UHFFFAOYSA-N
rxn:5:190264:227450:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc(C4CC4(F)F)c3)c2)CC1,NAAKYNVXHAFXNJ-UHFFFAOYSA-N
rxn:5:190265:226901:228211,CC1CCCN(C(=O)Cc2ccc(-c3cc(N4CCCC4)cs3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,BYSKHZOJGIWVTO-UHFFFAOYSA-N
rxn:5:190265:228394:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccccc3C(F)(F)F)c2)C1,BDCJKLWHMNWNGQ-UHFFFAOYSA-N
rxn:5:190299:222414:227541,CCOc1cc(F)c(-c2ccc(N3C(=O)SC(=Cc4cc(-c5cc(C)ccc5S(N)(=O)=O)ccc4OC)C3=O)cc2)cc1F,KIEVBVJJMIGYAY-UHFFFAOYSA-N
rxn:5:190299:223189:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5F)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],SDGUGZQBTWHYMF-UHFFFAOYSA-N
rxn:5:190299:223189:227683,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C#N)cc3[N+](=O)[O-])cc2)C1=O,FCPUYTORIPYVLL-UHFFFAOYSA-N
rxn:5:190299:223189:227687,COc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5F)ccc4OC)C3=O)cc2)c([N+](=O)[O-])c1,WRXTVKZOIVDAHD-UHFFFAOYSA-N
rxn:5:190299:223189:227695,COc1cc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5F)ccc4OC)C3=O)cc2)cc([N+](=O)[O-])c1,SMNPUTKEUFMOGI-UHFFFAOYSA-N
rxn:5:190299:223284:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(NS(C)(=O)=O)cc5)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],WAZAYQHEJSCJJI-UHFFFAOYSA-N
rxn:5:190299:227166:227377,COc1ccc(-c2ccc3c(c2)OCCN3C)cc1C=C1SC(=O)N(c2ccc(-c3cncnc3C3CCCC3)cc2)C1=O,QXXOYAACHQFDBG-UHFFFAOYSA-N
rxn:5:190299:227683:223189,COc1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)C1=O,QQPYTGQSVVPVJI-UHFFFAOYSA-N
rxn:5:190307:225446:225407,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(CCN3CCC(C)CC3)c2)c1,YZIDXJKOWPEFSX-UHFFFAOYSA-N
rxn:5:190307:227569:223008,COc1ccc(F)c(OC)c1-c1ccc(-c2cc(C3CCNCC3)ccc2F)c(CCN2CCC(C)CC2)c1,AQGRATJIAFBSRV-UHFFFAOYSA-N
rxn:5:190309:227951:223001,CC1CCCCN1CCc1cc(-c2ccc([N+](C)(C)C)cc2)ccc1-c1cc(C2CCCNC2)ccc1F,HVTJWACEQHAWMA-UHFFFAOYSA-N
rxn:5:190335:223001:228305,COc1c(-c2cnc(OC(C)C)cn2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CCCNC2)ccc1F,LXQCWJGRMOBPLI-UHFFFAOYSA-N
rxn:5:190335:223389:228866,COCc1noc(C)c1-c1cc(C(=O)N2CCCCC2C)cc(-c2c(C)n[nH]c2C(F)(F)F)c1OC,MTQWECRUTYGIDN-UHFFFAOYSA-N
rxn:5:190335:225465:227203,COc1c(-c2cccc(C3CCN(C)CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc2c(c1)OCCCO2,XLMQFEPSWMHCNW-UHFFFAOYSA-N
rxn:5:190335:228263:225598,COc1c(-c2ccc(C(C)(F)F)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cccc(CN2CCSCC2)c1,WWHOPGFJZACNTH-UHFFFAOYSA-N
rxn:5:190337:226347:228708,COc1c(-c2cc(C)c(F)cc2OC(C)C)cc(C(=O)N2CCC(C)CC2)cc1-c1cncnc1C1CC1,PLNGLUBAUDRZHB-UHFFFAOYSA-N
rxn:5:190337:226590:226605,COc1c(-c2ccc(OC3CCOC3)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(F)c(OC(C)C)cc1F,CMGXSSIGSPIHOS-UHFFFAOYSA-N
rxn:5:190404:226133:227342,COC(=O)c1ccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cc(C5CC5)cc(C#N)c4C)o3)CCS2)cc1C,GXJMFSMFLXIPRZ-UHFFFAOYSA-N
rxn:5:190404:226884:226766,Cc1ccc(OC(F)(F)F)c(-c2ccccc2C2CCN(C(=O)c3ccc(-c4c(F)cc(C(F)(F)F)cc4F)o3)CCS2)c1,NRFHIJHNCGIWPD-UHFFFAOYSA-N
rxn:5:190404:227276:225802,CCc1cc(N(C)C)ncc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccc(OC4CCCC4)nc3F)CC2)o1,LSJSJWKEGKITRL-UHFFFAOYSA-N
rxn:5:190459:228391:225980,O=C(c1ccccc1-c1cccc(C(F)(F)F)c1)N1CCSC(c2ccccc2-c2cc(N3CCOCC3)ncc2F)CC1,IBQQYMUDVNCPQX-UHFFFAOYSA-N
rxn:5:190484:223423:226581,CN(C)C(=O)c1cccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(C=NO)c4)c3)CCS2(=O)=O)c1F,NFSAZTNHCAPQKE-UHFFFAOYSA-N
rxn:5:190484:226189:227954,O=C(c1cccc(-c2ccc(C3CCCC3)c(F)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCC3)nc2)S(=O)(=O)CC1,RMRHFVGFNBWIIX-UHFFFAOYSA-N
rxn:5:190484:226446:227354,Cc1nc(C2CCOC2)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(F)c(OC(C)C)c3)S(=O)(=O)CC2)c1,GSDBJCSHACSSHI-UHFFFAOYSA-N
rxn:5:190740:225656:225833,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCCCC4C)c3)cc2c1-c1ccnc(N2CCCCC2)c1F,ZNBCCKOJLMUUQO-UHFFFAOYSA-N
rxn:5:190740:225976:223061,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(C2CCNCC2)ncc1F,YSWAXFFAZJZGHN-UHFFFAOYSA-N
rxn:5:190740:225976:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCCCCC2)nc1,SBQANYRBGQITLS-UHFFFAOYSA-N
rxn:5:190740:225976:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCOCC2)c1F,MOSBCHOHTKLFAX-UHFFFAOYSA-N
rxn:5:190740:225976:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cnc(N2CCOCC2)cc1F,DEKMVNUXHVVRAC-UHFFFAOYSA-N
rxn:5:190741:225834:225784,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,AMNBLKCKHXZBBR-UHFFFAOYSA-N
rxn:5:190741:225849:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JWVVWWZIKKOPCZ-UHFFFAOYSA-N
rxn:5:190741:225849:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,VIDPOTPALPQFMD-UHFFFAOYSA-N
rxn:5:190742:223056:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccnc(N2CCOCC2)c1F,UHEUNKUINAMMTO-UHFFFAOYSA-N
rxn:5:190742:223062:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCNCC2)cc1F,BUCUNBSOROMMNR-UHFFFAOYSA-N
rxn:5:190742:223062:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,BCWKIDDCALVLMW-UHFFFAOYSA-N
rxn:5:190742:223063:225633,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCNCC4)c3)c2c1-c1ccc(N2CCCCCC2)nc1,JLMSRSLTLSBUFV-UHFFFAOYSA-N
rxn:5:190742:223065:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,FFIHWDSIIQPGPA-UHFFFAOYSA-N
rxn:5:190742:223065:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,WTXVNPCDGLMDTP-UHFFFAOYSA-N
rxn:5:190742:225655:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,UAPUGQVHBGETFP-UHFFFAOYSA-N
rxn:5:190742:225784:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccnc(OC2CCOCC2)c1,OSATYCPHVSVZSM-UHFFFAOYSA-N
rxn:5:190742:225849:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,YFKLPXWFEWJEIR-UHFFFAOYSA-N
rxn:5:190742:225978:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1cnc(C2CCNCC2)cc1F,NBWAAJRCCZWEPM-UHFFFAOYSA-N
rxn:5:190742:226571:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,PRMAEMIFLQEJHA-UHFFFAOYSA-N
rxn:5:190743:223056:223062,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cnc(C2CCNCC2)cc1F,BXALVDLXBRPNLC-UHFFFAOYSA-N
rxn:5:190743:223061:225833,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,QQYFKUUYOPZEFD-UHFFFAOYSA-N
rxn:5:190743:225849:223062,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,BVBCMRJSRBQSJU-UHFFFAOYSA-N
rxn:5:190743:225881:223062,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCOCC4)nc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,JIMZDUOOSOAFFQ-UHFFFAOYSA-N
rxn:5:190743:225982:225849,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,BGSPWJIMUGEXQY-UHFFFAOYSA-N
rxn:5:190744:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,MBJMRCXYRFQWOK-UHFFFAOYSA-N
rxn:5:190832:223062:223141,CCOC(=O)c1cnc2cc(C)c(-c3cnc(C4CCNCC4)cc3F)c(C)c2c1-c1cncc(C2CCNCC2)c1,UVWHIBVRCFHFBM-UHFFFAOYSA-N
rxn:5:190832:226347:226662,CCOC(=O)c1cnc2cc(C)c(-c3cc(C)c(F)cc3OC(C)C)c(C)c2c1-c1ccc(N2CCN(C)CC2)s1,RVZZSRSCBREQQT-UHFFFAOYSA-N
rxn:5:190832:226679:225849,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCC4)cc3F)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,KKXIBJXLEVNWPP-UHFFFAOYSA-N
rxn:5:190832:226794:225833,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,VBRFMHNRFRJKPA-UHFFFAOYSA-N
rxn:5:190833:225603:223172,CC(C)(C)OC(=O)N1Cc2c(-c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc(-c3cccc(C4(C#N)CCC4)c3F)c2C1=O,LVXJEJIINGBANH-UHFFFAOYSA-N
rxn:5:190833:225617:229185,CC(C)(C)OC(=O)N1Cc2c(-c3cc(F)nc(F)c3)ccc(-c3ccc(OC4CCCCO4)cc3)c2C1=O,GPTQFQTVUITROJ-UHFFFAOYSA-N
rxn:5:190833:228304:226778,COc1cc(-c2ccc(-c3cnc(OC(C)C)nc3)c3c2CN(C(=O)OC(C)(C)C)C3=O)c(F)c(F)c1OC,YYXLUBIIKXMOCF-UHFFFAOYSA-N
rxn:5:190993:225655:225978,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(N6CCOCC6)nc5F)cc3)C(=O)CO4)c2)CC1,ZVTIYPPAUPKRMC-UHFFFAOYSA-N
rxn:5:190998:223061:226664,COC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ccc1N1Cc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2OCC1=O,JZDREZLZYZQVPA-UHFFFAOYSA-N
rxn:5:190998:228146:223294,CCc1cncc(-c2ccc3c(c2)CN(c2ccc(-c4csc(N5CCNCC5)n4)cc2C(=O)OC)C(=O)CO3)c1OC,YFILTEAFNKHKJU-UHFFFAOYSA-N
rxn:5:190998:228530:225933,COC(=O)c1cc(-c2cc(C3CC3)nc(C(F)(F)F)c2)ccc1N1Cc2cc(-c3ccc4c(c3)OCC4)ccc2OCC1=O,LFNKAJSECFHOME-UHFFFAOYSA-N
rxn:5:191049:223146:227920,CCC(=O)c1ccc(-c2cc(OC)c(N3Cc4cc(-c5cccc(C6CNCCO6)c5)ccc4OCC3=O)cc2OC)cc1,PRURODGGVXCVBB-UHFFFAOYSA-N
rxn:5:191049:225976:225833,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCCCC2)c1F,VNLOOASLAUEQFL-UHFFFAOYSA-N
rxn:5:191049:227376:225849,COc1cc(N2Cc3cc(-c4cncc(N5CCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,HRGMYSCPYPKRQW-UHFFFAOYSA-N
rxn:5:191767:225832:226837,COc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2c(C)nn(CC(F)(F)F)c2C)c1[N+](=O)[O-],DCFDFXTTXBIERD-UHFFFAOYSA-N
rxn:5:192235:225936:226835,COc1cc(-c2cc(C(F)(F)F)cnc2C(C)C)c(-c2cc(C(F)(F)F)nn2C(C)C)cc1S(N)(=O)=O,WYYOQRUTQKNGLA-UHFFFAOYSA-N
rxn:5:192564:226662:222998,CN1CCN(c2ccc(-c3cc(-c4cc(F)cc(C5CCCNC5)c4)ccc3C3(C#N)CCC3)s2)CC1,UDAAHNJQVABJGN-UHFFFAOYSA-N
rxn:5:192566:225587:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cccc(CN4CCOCC4)c3)cc(C3(C#N)CCC3)c2)c1,LESUKULBKBDKAE-UHFFFAOYSA-N
rxn:5:193050:225871:225871,O=C(c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1)N1CCCC1,FVMRRHPQXPVEGV-UHFFFAOYSA-N
rxn:5:193226:223056:227020,O=C(c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cncc(C#CC3CC3)c2)c1)N1CCOCC1,WGDNDVWNYJHQSG-UHFFFAOYSA-N
rxn:5:193226:226826:226735,Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2cc(C#N)cc(C(F)(F)F)c2)c(F)c(C(F)(F)F)c1,RHXOQNLGJMQINI-UHFFFAOYSA-N
rxn:5:193226:227316:226571,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2cnn(CC3CCOCC3)c2)cc(F)n1,CSIVIMOFPURRLV-UHFFFAOYSA-N
rxn:5:193226:227376:223061,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,JWOOLEVXYATOSV-UHFFFAOYSA-N
rxn:5:193229:223061:226664,O=C(c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cc(N2CCCC2)ncc1F)N1CCOCC1,OJORYNYGPKBMIO-UHFFFAOYSA-N
rxn:5:193229:223062:223065,O=C(c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,WLRQUIAVTGKCHP-UHFFFAOYSA-N
rxn:5:193229:225655:225881,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3ccc(C4CCOCC4)nc3F)c2)CC1,FAOJBINWDYYUIS-UHFFFAOYSA-N
rxn:5:193229:225784:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(CN3CCOCC3)nc2)cc(F)n1,HGGPALIPIRNRDY-UHFFFAOYSA-N
rxn:5:193229:225976:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccnc(N3CCOCC3)c2F)cc(F)n1,QJSRFAKLCWTOMC-UHFFFAOYSA-N
rxn:5:193229:225986:225986,O=C(c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccccc1N1CCCS1(=O)=O)N1CCOCC1,WSWWLOKSFBFRLN-UHFFFAOYSA-N
rxn:5:193229:226899:226332,O=C(c1ccccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC1,BHERWISTJWDEDP-UHFFFAOYSA-N
rxn:5:193230:223006:225803,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccnc(OC2CCOCC2)c1)N1CCOCC1,SQMXXGBLKHZCRA-UHFFFAOYSA-N
rxn:5:193230:225784:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,GJLOSRZQEYPGGY-UHFFFAOYSA-N
rxn:5:193230:225976:226645,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,RCSVEXLLEXXTTD-UHFFFAOYSA-N
rxn:5:193230:227379:225982,O=C(c1ccc(-c2cccnc2N2CCCC2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,YYWZTLUNZBHAOE-UHFFFAOYSA-N
rxn:5:193331:222984:226464,COc1ccc2c(c1-c1cc(-c3ccc(CN4CCC(O)C4)cc3)ccc1CN1CCOCC1)OCCO2,GRZXOEBNSNNMCS-UHFFFAOYSA-N
rxn:5:193331:223010:226464,COc1ccc2c(c1-c1cc(-c3ccc(C4(O)CCOCC4)cc3)ccc1CN1CCOCC1)OCCO2,VPBGNSULJIQCGW-UHFFFAOYSA-N
rxn:5:193331:226794:225833,Fc1c(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2CN2CCOCC2)ccnc1N1CCCCC1,ACNRLBMEZGOSHG-UHFFFAOYSA-N
rxn:5:193333:222983:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1cccc(CN3CCC(O)C3)c1)OCCO2,AFBQTPQCDIZLCN-UHFFFAOYSA-N
rxn:5:193333:223010:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)ccc1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,SWYLVDJCRRBCSU-UHFFFAOYSA-N
rxn:5:193333:226464:222984,COc1ccc2c(c1-c1ccc(CN3CCOCC3)cc1-c1ccc(CN3CCC(O)C3)cc1)OCCO2,IXFOTUSNOTVFIB-UHFFFAOYSA-N
rxn:5:193333:226464:223010,COc1ccc2c(c1-c1ccc(CN3CCOCC3)cc1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,OSQIOENTOSTMJW-UHFFFAOYSA-N
rxn:5:193334:222984:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1ccc(CN3CCC(O)C3)cc1)OCCO2,UOFUGOVAFKHNAR-UHFFFAOYSA-N
rxn:5:193334:223010:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,GFFUUSMXIKOCFM-UHFFFAOYSA-N
rxn:5:193335:222983:226464,COc1ccc2c(c1-c1cccc(-c3cccc(CN4CCC(O)C4)c3)c1CN1CCOCC1)OCCO2,DESZBZRQQRVWEA-UHFFFAOYSA-N
rxn:5:193335:222984:226464,COc1ccc2c(c1-c1cccc(-c3ccc(CN4CCC(O)C4)cc3)c1CN1CCOCC1)OCCO2,ZJWVIZBMCOMUOZ-UHFFFAOYSA-N
rxn:5:193335:223010:226464,COc1ccc2c(c1-c1cccc(-c3ccc(C4(O)CCOCC4)cc3)c1CN1CCOCC1)OCCO2,DNEOPBHCUCFNJF-UHFFFAOYSA-N
rxn:5:193336:223010:226464,COc1ccc2c(c1-c1c(CN3CCOCC3)cccc1-c1ccc(C3(O)CCOCC3)cc1)OCCO2,YCSBODFXOZHBJO-UHFFFAOYSA-N
rxn:5:193337:223010:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)cc1CN1CCOCC1)OCCO2,VUQORWNPMDCYRO-UHFFFAOYSA-N
rxn:5:193337:226464:223010,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CN3CCOCC3)c1)OCCO2,JXXMEABFAMURBR-UHFFFAOYSA-N
rxn:5:193338:222984:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3ccc(CN4CCC(O)C4)cc3)c1)OCCO2,VQFXKTHHIUBUTK-UHFFFAOYSA-N
rxn:5:193338:223010:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3ccc(C4(O)CCOCC4)cc3)c1)OCCO2,VDWJZCPEMRHSAG-UHFFFAOYSA-N
rxn:5:193382:223438:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cn[nH]c2C(F)(F)F)ccc1S(=O)(=O)N1CCOCC1,ISBKWUXZZQLKGP-UHFFFAOYSA-N
rxn:5:193382:225976:228703,O=S(=O)(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnn(C2CCC2)c1)N1CCOCC1,VUQHIIYJGCGJPZ-UHFFFAOYSA-N
rxn:5:193382:226145:227371,COc1c(C)ccc(-c2cc(-c3ccc(OC4CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1OC,TYNFKDRSRZNVOP-UHFFFAOYSA-N
rxn:5:193382:227071:222981,COCc1cc(C)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(NC4CCCCC4)c3)c2)c(C)c1,STBYFOFYEXMHPX-UHFFFAOYSA-N
rxn:5:193382:227829:225987,O=S1(=O)CCCN1c1ccc(-c2cc(-c3ccccc3C3CCC3)ccc2S(=O)(=O)N2CCOCC2)cc1,DZTILZSJFKGSKU-UHFFFAOYSA-N
rxn:5:193382:228071:225986,O=S1(=O)CCCN1c1ccccc1-c1cc(-c2cccc3c2OCCO3)ccc1S(=O)(=O)N1CCOCC1,WXEQVSDBSMAXJN-UHFFFAOYSA-N
rxn:5:193460:226900:226900,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1,MRFHVUXQCRKEDX-UHFFFAOYSA-N
rxn:5:193461:222998:226875,O=C(c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1cc(F)c(OC(F)F)cc1F)N1CCCCC1,DCWXVKGBRDWPKW-UHFFFAOYSA-N
rxn:5:193461:227361:225625,COc1cc(-c2ccc(C(=O)N3CCCCC3)c(-c3cc(OC4CCCC4)ccc3F)c2)c(OC)cc1C,USWNDVJGNRSWQM-UHFFFAOYSA-N
rxn:5:193462:222992:226901,O=C1CCN(Cc2cc(-c3ccc(N4CCCCC4O)cc3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,VOLYWGRFRBVBJF-UHFFFAOYSA-N
rxn:5:193462:225980:223201,O=C1CCN(Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2-c2ccccc2C2CCNC2)CC1,NYOLJWHPEIURMY-UHFFFAOYSA-N
rxn:5:193463:226895:226685,O=C1CCN(Cc2ccc(-c3cc(F)c(C(F)(F)F)cc3F)cc2-c2cnc(C3CCOCC3)nc2)CC1,WXPRAJBPZPNFCV-UHFFFAOYSA-N
rxn:5:193465:222992:227590,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(CC(F)(F)F)cc2)c1-c1ccc(N2CCCCC2O)cc1,AHYPQGFQWNXNNH-QDLLFRBVSA-N
rxn:5:193465:226046:223251,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)OCC(=O)N3)c1-c1ccnc(C(F)(F)C(F)(F)F)c1,HEOIEVGQHNHMIE-HNNXBMFYSA-N
rxn:5:193465:226901:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1cccc(S(F)(F)(F)(F)F)c1,DGLVKKJGHOIPPF-IBGZPJMESA-N
rxn:5:193465:227119:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cc(C2CCCCC2)cs1,QZRPLRIAMBWNJT-IBGZPJMESA-N
rxn:5:193465:227745:225616,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccc(C(F)(F)F)c(F)c1,NBIUASUNBYVBBC-IBGZPJMESA-N
rxn:5:193465:227777:226046,C[C@H]1CCCN1C(=O)c1cccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c1-c1cc(F)c(F)cc1[N+](=O)[O-],HKOXFAXPUJCTQU-ZDUSSCGKSA-N
rxn:5:193465:227788:225450,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)C3CCCC3)cc2)c1-c1cc(C(F)(F)F)cnc1F,DLANOITVRXYWPH-SFHVURJKSA-N
rxn:5:193466:225584:225871,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(C(=O)N2CCCC2)cc1,HLBYZSMGWSLUOP-JOCHJYFZSA-N
rxn:5:193466:225946:227679,CC(=O)c1cc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C(=O)N2CCC[C@H]2C)cc(C(F)(F)F)c1,JUOGXVHTBZRKOF-OAHLLOKOSA-N
rxn:5:193466:226049:227501,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])cc2)cc1-c1cc(F)c(OC(F)(F)F)c(F)c1,CLQRWMCTTKKXQA-MRXNPFEDSA-N
rxn:5:193467:225942:227095,CC(C)c1ncc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)cc2C(=O)N2CCC[C@@H]2C)cc1C(F)(F)F,FEWMRJRHZLNKPM-IBGZPJMESA-N
rxn:5:193467:225946:227679,CC(=O)c1cc(-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2C(=O)N2CCC[C@@H]2C)cc(C(F)(F)F)c1,BSDLCAHGEVHWMI-HNNXBMFYSA-N
rxn:5:193467:226042:226197,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C3CCCOC3)cc2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,JMDWCNWAXHYWDF-HSTJUUNISA-N
rxn:5:193467:226064:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccc(C2CCCCC2)cc1,LHVXOHDPSFMNOS-NRFANRHFSA-N
rxn:5:193467:226469:226887,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)c(C(F)(F)F)c2F)ccc1-c1ccc2c(c1)N(C)C(=O)CO2,LQBSZPQWYZWQQX-HNNXBMFYSA-N
rxn:5:193467:226736:226469,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1-c1ccc(C(F)(F)F)cc1C#N,CFYAMELNNBMYSB-KRWDZBQOSA-N
rxn:5:193467:226863:226469,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1-c1ccc(OC(F)(F)F)cc1F,PLNXGNFGZKISBF-INIZCTEOSA-N
rxn:5:193467:226867:226042,C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1-c1c(F)cccc1OC(F)(F)F,RWZVKGPBXORJTA-AWEZNQCLSA-N
rxn:5:193467:226901:225584,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,VEZDAAKXKHWJBD-FQEVSTJZSA-N
rxn:5:193467:227783:226046,C[C@H]1CCCN1C(=O)c1cc(-c2ccnc(C(F)(F)C(F)(F)F)c2)ccc1-c1cc([N+](=O)[O-])c(F)cc1F,HKFGXEWPRVTMHE-ZDUSSCGKSA-N
rxn:5:193468:225407:225816,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCCCC3)cc2)cccc1-c1cc(C2CC2)ccc1C(F)(F)F,XEXAKHUCUNRTKL-QHCPKHFHSA-N
rxn:5:193468:225450:226880,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1cc(F)c(F)c(C(F)(F)F)c1,YERYLKAMTJABGO-SFHVURJKSA-N
rxn:5:193468:225450:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C3CCCC3)cc2)cccc1-c1ccc(S(F)(F)(F)(F)F)cc1,SMNXAELOHJERTJ-FQEVSTJZSA-N
rxn:5:193468:226031:225407,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCCCC3)cc2)cccc1-c1ccc(C(F)(F)F)cc1C(F)F,FAUDMNFKDIIGIH-NRFANRHFSA-N
rxn:5:193468:226739:227279,CC(=O)c1ccc(-c2cccc(-c3cc(C4CC4)nn3C(C)C)c2C(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-],XQJRDXABIWJSNC-SFHVURJKSA-N
rxn:5:193469:222990:227552,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCC(O)CC3)cc2)cc1-c1ccccc1CC(F)(F)F,YMULEJHMRSVWPX-OAQYLSRUSA-N
rxn:5:193469:223145:226887,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1-c1ccc(F)c(C(F)(F)F)c1F,OSQSAWIOWGTRSU-YAOANENCSA-N
rxn:5:193506:226033:229049,COc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc4n3CCC4)c2)cc(C(F)(F)F)c1F,DYLIRLVWXKYBMN-UHFFFAOYSA-N
rxn:5:193506:226411:228501,Cn1ncc(-c2cc(-c3ccc(N4CCOCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,JETOESURXHULOH-UHFFFAOYSA-N
rxn:5:193506:227386:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,JLCVBKDZMCGHKE-UHFFFAOYSA-N
rxn:5:193506:227928:226883,CCOc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3c(F)ccc(C(F)(F)F)c3F)c2)ccc1C,RDNRBFVSUIABIE-UHFFFAOYSA-N
rxn:5:193506:228071:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2cccc3c2OCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,HHWARYVWCAWAOC-UHFFFAOYSA-N
rxn:5:193506:228502:227381,Cn1cc(C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCC4)nc3)c2)n1,NBNWLBVPGZPBOY-UHFFFAOYSA-N
rxn:5:193506:228967:226382,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(C4CCCCC4)nc3)c2)c(C(F)F)n1,PYFIYLSEULQNIX-UHFFFAOYSA-N
rxn:5:193506:229061:226835,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C(F)(F)F)nn3C(C)C)c2)cn1,HJWWVTYCMHIMNB-UHFFFAOYSA-N
rxn:5:193652:225583:223065,O=C1OC(c2ccc(-c3cccc(C(=O)N4CCCC4)c3)cc2)=NC1=Cc1ccc(-c2ccc(N3CCNCC3)cc2F)cc1,HAUZNUXPPSNQIY-UHFFFAOYSA-N
rxn:5:193653:226189:225931,Cc1cc(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(C6CCCC6)c(F)c5)cc4)C(=O)O3)cc2)cc(S(=O)(=O)N(C)C)c1,CNKSNQGUSCABQQ-UHFFFAOYSA-N
rxn:5:193681:223294:225585,CN1CCC(Oc2cc(-c3csc(N4CCNCC4)n3)ccc2-c2ccccc2CN2CCOCC2)CC1,ZEMSPYLTCLNTCI-UHFFFAOYSA-N
rxn:5:193681:225499:222958,Cc1ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OC2CCN(C)CC2)cc1C1CCNCC1,TZRQXGBRGRBBLU-UHFFFAOYSA-N
rxn:5:193681:225625:227566,COc1ccc(-c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2OC2CCN(C)CC2)c(OC)c1F,DBPJRZKEXQMOKQ-UHFFFAOYSA-N
rxn:5:193711:223140:225439,CC(c1cccc(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)C2=O)c1)N1CCCC1,KSYZFJQKGWLANC-UHFFFAOYSA-N
rxn:5:193750:225924:228000,COc1cc(C)c(C)cc1-c1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2C)cc1C(=O)N1CCC(C)CC1,VAOMGALSJUZTNG-UHFFFAOYSA-N
rxn:5:193750:226212:225435,CON=C1CCc2cc(-c3ccc(-c4ccccc4CN4CCCCC4)c(C(=O)N4CCC(C)CC4)c3)ccc21,GPWWXFSLZIHBFD-UHFFFAOYSA-N
rxn:5:193750:226901:222404,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CC1,SKZLCWSLVNTXPI-UHFFFAOYSA-N
rxn:5:193751:222404:227709,CC1CCCN(C(=O)c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)C1,CHJLKQLJWAGHTG-UHFFFAOYSA-N
rxn:5:193751:228322:225515,CCOc1ncc(-c2ccc(-c3cccc4c3OCC(C)(C)CO4)cc2C(=O)N2CCCC(C)C2)cc1F,HHFIUUXGAXFPQA-UHFFFAOYSA-N
rxn:5:193754:227450:226900,CC1CCN(C(=O)c2cccc(-c3cccc(C4CC4(F)F)c3)c2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,DTHXZTWQFMMYIX-UHFFFAOYSA-N
rxn:5:193754:227451:226901,CC1CCN(C(=O)c2cccc(-c3ccc(C4CC4(F)F)cc3)c2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,GQSDFDMXAUOZCT-UHFFFAOYSA-N
rxn:5:193756:225811:226769,COC(=O)c1cc(F)c(F)c(-c2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)ccc2C(=O)N2CCCCC2C)c1,CHEZHKDULJITGK-UHFFFAOYSA-N
rxn:5:193807:222995:226185,CC1CCN(Cc2cccc(-c3ccc(C4CCOCC4)cc3)c2-c2cccc(N3CCCC(O)C3)c2)CC1,MNUGHNYNIXCNLX-UHFFFAOYSA-N
rxn:5:193807:227560:225639,COc1ccc(-c2c(CN3CCC(C)CC3)cccc2-c2cccnc2N2CCC(C)CC2)cc1C(F)F,LNUFUBBKVFDJEN-UHFFFAOYSA-N
rxn:5:193808:223010:223203,CC1CCN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cccc(C3(O)CCC3)c2)CC1,QFOZSDAPGODFQS-UHFFFAOYSA-N
rxn:5:193809:225607:227932,COCc1ccc(C)c(-c2cc(-c3ccc(C(C)N4CCCCC4)s3)ccc2CN2CCC(C)CC2)c1,YDABSCRYHSQRRN-UHFFFAOYSA-N
rxn:5:193866:222981:225637,CN1CCN(c2ccccc2-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccnc(NC3CCCCC3)c2)CC1,GXPJZQSQVRWSHS-UHFFFAOYSA-N
rxn:5:193866:228200:225638,CC1CCN(c2ccc(-c3cc(C4(N5CCC(=O)CC5)CC4)ccc3-c3ccnn3C3CCCC3)cn2)CC1,AGDNZNFHWUOYGW-UHFFFAOYSA-N
rxn:5:193866:228501:223272,CNC(=O)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cnn(C)c2C(F)(F)F)c(F)c1,YPQUUYIATDALLN-UHFFFAOYSA-N
rxn:5:193867:223400:225802,CNCc1cccc(-c2cc(-c3ccc(OC4CCCC4)nc3F)cc(C3(N4CCC(=O)CC4)CC3)c2)c1,SOWLNOQUPFARLW-UHFFFAOYSA-N
rxn:5:193867:227656:228173,CCOc1cc(F)ccc1-c1cc(-c2cc(N3CCOCC3)cs2)cc(C2(N3CCC(=O)CC3)CC2)c1,BPHAMBFAIRTWJA-UHFFFAOYSA-N
rxn:5:193867:227921:226029,CCOc1c(F)c(F)c(-c2cc(-c3cccc(C(C)OC)c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c(F)c1F,DBWHBVRMWRCQHV-UHFFFAOYSA-N
rxn:5:193868:226328:226968,CC1CN(C(=O)c2cc(-c3ccc(C(C)(C)C#N)c(F)c3)ccc2-c2ccc3c(c2)OC(C)(C)C3)CC(C)O1,WQVPTBNPPBZYEM-UHFFFAOYSA-N
rxn:5:193868:226884:226596,CC(C)Oc1c(F)ccc(-c2ccc(-c3c(F)cc(C(F)(F)F)cc3F)cc2C(=O)N2CC(C)OC(C)C2)c1F,NRYXBURXXHCCLX-UHFFFAOYSA-N
rxn:5:193869:227320:227688,COc1ccc([N+](=O)[O-])cc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2c(OC)cccc2N(C)C)cc1C,BNEMKOMKSAQSTR-UHFFFAOYSA-N
rxn:5:193869:227320:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2c(OC)cccc2N(C)C)cc1C,NINSFBRRPZECJT-UHFFFAOYSA-N
rxn:5:193869:227766:228455,CCn1nc(C(F)(F)F)cc1-c1cc(C)c(-c2cnc(OC)nc2OC)cc1S(=O)(=O)N1CCCCC1,LWJVAYKXOZQSPM-UHFFFAOYSA-N
rxn:5:193869:228653:226028,Cc1cc(-c2cnn3c2CCCC3)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,PLTCJLRLUPTRAC-UHFFFAOYSA-N
rxn:5:193870:225435:228129,COc1cc(C#N)ccc1-c1cc(-c2ccccc2CN2CCCCC2)c(C)cc1S(=O)(=O)N1CCCCC1,XBFDFPQTWJTUHE-UHFFFAOYSA-N
rxn:5:193870:225514:223011,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc3[nH]ncc3cc2OC(C)C)cc1-c1cccc2c1OCC1(CC1)CO2,RXHOVXQRQTYMMS-UHFFFAOYSA-N
rxn:5:193870:225809:228155,COc1ccc(-c2cc(-c3cc(F)ccc3OC3CCOC3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1OC,CFTOEIUASPOKLQ-UHFFFAOYSA-N
rxn:5:193870:226748:225929,COc1cc(C(F)(F)F)ccc1-c1cc(-c2ccc(S(=O)(=O)N(C)C)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1C,BRCDATIHVHTMRM-UHFFFAOYSA-N
rxn:5:193870:227690:227320,COc1cc([N+](=O)[O-])ccc1-c1cc(-c2c(OC)cccc2N(C)C)c(S(=O)(=O)N2CCCCC2)cc1C,NSAKBUBDMVLFFC-UHFFFAOYSA-N
rxn:5:193870:227976:226129,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(CN3CCCC3)c2)cc1-c1ccc([Si](C)(C)C)cc1,JMKKSYVNUIFCIY-UHFFFAOYSA-N
rxn:5:193870:228366:222998,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1cnc(N(C)C)c(F)c1,RXDMNNSCQAGIAW-UHFFFAOYSA-N
rxn:5:193870:228653:226856,COc1cnc(C(F)(F)F)cc1-c1cc(-c2cnn3c2CCCC3)c(C)cc1S(=O)(=O)N1CCCCC1,PFIZBODZMDVKNV-UHFFFAOYSA-N
rxn:5:193870:229049:226835,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(C(F)(F)F)nn2C(C)C)cc1-c1cnc2n1CCC2,PTPLLRCBDMQDIG-UHFFFAOYSA-N
rxn:5:193871:223065:223061,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCC2(CC1)CC2,BFURMZOVEAMZPF-UHFFFAOYSA-N
rxn:5:193871:225810:227668,COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(F)c(OC)c(F)c2C)c(C2OCCO2)c1,QERSJCBQGHXKQO-UHFFFAOYSA-N
rxn:5:193912:225440:228160,CCOc1cccc(F)c1-c1ccc(C2C(=O)N(c3ccc(-c4ccc(C5(C#N)CCCC5)cc4)cc3)C(=O)CS2=O)cc1,KYOBTBPDOHGBBH-UHFFFAOYSA-N
rxn:5:193912:226900:222990,O=C1CS(=O)C(c2ccc(-c3ccc(N4CCC(O)CC4)cc3)cc2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,HFGYYYWUUCCOQG-UHFFFAOYSA-N
rxn:5:193967:222980:223360,CNCc1cccc(-c2cc(-c3ccc(CN4CCNCC4)cc3)ccc2CN2CCC3(CC2)OCCO3)c1F,SUEAMTSILLKDIM-UHFFFAOYSA-N
rxn:5:193967:223010:228177,COCc1ccc(F)cc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1CN1CCC2(CC1)OCCO2,REMICUZDLWDQLT-UHFFFAOYSA-N
rxn:5:193967:223010:228181,COCc1cc(F)ccc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1CN1CCC2(CC1)OCCO2,AMXKJBCMLZFQLG-UHFFFAOYSA-N
rxn:5:193967:223010:228555,COCc1ccccc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1CN1CCC2(CC1)OCCO2,NCPOPMSKTDOWPH-UHFFFAOYSA-N
rxn:5:193967:223010:229005,COc1ccccc1-c1cc(-c2ccc(C3(O)CCOCC3)cc2)ccc1CN1CCC2(CC1)OCCO2,JXUSQINVYRCDHF-UHFFFAOYSA-N
rxn:5:193967:223389:228680,CCCn1nc(C)cc1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1CN1CCC2(CC1)OCCO2,MMDOAWOTFSQEHD-UHFFFAOYSA-N
rxn:5:193967:225466:226076,COc1cc(-c2cc(-c3ccc(N4CCCCC4C)cc3)ccc2CN2CCC3(CC2)OCCO3)c2ccccc2c1,JQBXKMRPYARLKE-UHFFFAOYSA-N
rxn:5:193967:225605:228553,CCSc1ccc(-c2cc(-c3cc(C)cnc3OC3CCCC3)ccc2CN2CCC3(CC2)OCCO3)cc1,JHXHUDKTBZQYRD-UHFFFAOYSA-N
rxn:5:193967:226148:226129,C[Si](C)(C)C#Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc(CN4CCCC4)c3)c2)c1,BYCJVKJREXIYHW-UHFFFAOYSA-N
rxn:5:193967:226197:228555,COCc1ccccc1-c1cc(-c2ccc(C3CCCOC3)cc2)ccc1CN1CCC2(CC1)OCCO2,PFUAYGZJPNCWIF-UHFFFAOYSA-N
rxn:5:193967:226971:228177,COCc1ccc(F)cc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,IBEPFRHXLDADGF-UHFFFAOYSA-N
rxn:5:193967:226971:228866,COCc1noc(C)c1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,DXRVVZKIIVPQPL-UHFFFAOYSA-N
rxn:5:193967:227203:228177,COCc1ccc(F)cc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1CN1CCC2(CC1)OCCO2,RMSKOGOFMHFFIZ-UHFFFAOYSA-N
rxn:5:193967:227203:228181,COCc1cc(F)ccc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1CN1CCC2(CC1)OCCO2,DPSNQGZSOYGWGY-UHFFFAOYSA-N
rxn:5:193967:228173:222957,CCOc1cc(F)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cc(C)cc(C3CCCNC3)c2)c1,INLLLHWCFWRGNG-UHFFFAOYSA-N
rxn:5:193967:228194:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2c(C)nn(C(C)C)c2C)ccc1CN1CCC2(CC1)OCCO2,BFCUBSNKONEZNY-UHFFFAOYSA-N
rxn:5:193967:228867:223389,CCc1nc(OC)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3c(C)n[nH]c3C(F)(F)F)c2)s1,SIYUSUGNDZEAMK-UHFFFAOYSA-N
rxn:5:193968:222993:223010,OC1CCCCN1c1cccc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CN3CCC4(CC3)OCCO4)c2)c1,LZISWFZCBCXJMS-UHFFFAOYSA-N
rxn:5:193968:223010:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1CN1CCC2(CC1)OCCO2,ZMYKNMRCZPVCPI-UHFFFAOYSA-N
rxn:5:193968:223010:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1CN1CCC2(CC1)OCCO2,WSGCMFUWOHFTAE-UHFFFAOYSA-N
rxn:5:193968:223010:228555,COCc1ccccc1-c1ccc(-c2ccc(C3(O)CCOCC3)cc2)cc1CN1CCC2(CC1)OCCO2,ZIRUTGGGFFOWAA-UHFFFAOYSA-N
rxn:5:193968:225435:226580,CN(C)C(=O)c1ccc(F)c(-c2ccc(-c3ccccc3CN3CCCCC3)cc2CN2CCC3(CC2)OCCO3)c1,HBPVXASSOGSXBN-UHFFFAOYSA-N
rxn:5:193968:226971:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,HLVYXTDHIKGEJU-UHFFFAOYSA-N
rxn:5:193968:227203:228177,COCc1ccc(F)cc1-c1ccc(-c2ccc3c(c2)OCCCO3)cc1CN1CCC2(CC1)OCCO2,YBQQVCQWAFPBTP-UHFFFAOYSA-N
rxn:5:193968:227203:228181,COCc1cc(F)ccc1-c1ccc(-c2ccc3c(c2)OCCCO3)cc1CN1CCC2(CC1)OCCO2,XAOWAJSKQMCPHF-UHFFFAOYSA-N
rxn:5:193968:227205:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc3c2OCCCO3)cc1CN1CCC2(CC1)OCCO2,NHGGZNXBRWKUBJ-UHFFFAOYSA-N
rxn:5:193968:227280:227034,CC(C)c1cnc(C#N)cc1-c1ccc(-c2c(C#N)cccc2C2CC2)c(CN2CCC3(CC2)OCCO3)c1,QQHSDCBXFXKWLJ-UHFFFAOYSA-N
rxn:5:193968:227513:223008,COc1nc(OC)c(-c2ccc(-c3cc(C4CCNCC4)ccc3F)c(CN3CCC4(CC3)OCCO4)c2)cc1C,CMFVFPYLDCQFNU-UHFFFAOYSA-N
rxn:5:193968:227766:228867,CCc1nc(OC)c(-c2ccc(-c3cc(C(F)(F)F)nn3CC)cc2CN2CCC3(CC2)OCCO3)s1,YQZAMNJOCBDBNR-UHFFFAOYSA-N
rxn:5:193968:228366:227541,CCOc1cc(F)c(-c2ccc(-c3cnc(N(C)C)c(F)c3)cc2CN2CCC3(CC2)OCCO3)cc1F,LHFXTFYFESPACQ-UHFFFAOYSA-N
rxn:5:193968:228587:223010,Cc1cc(C#N)cc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(CN3CCC4(CC3)OCCO4)c2)c1,KGMVTWBANYDAAX-UHFFFAOYSA-N
rxn:5:193968:228967:228100,CCCn1nc(C)c(-c2ccc(-c3cn(C)nc3C(F)F)cc2CN2CCC3(CC2)OCCO3)c1C,QIABJEBCSWQXKE-UHFFFAOYSA-N
rxn:5:193972:223388:228349,Cc1cc(-c2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CCOC2)c1,LLHVMBKVBPGYAJ-UHFFFAOYSA-N
rxn:5:193972:225394:228608,COc1cc(C)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1C,SPZUOZLQXRHHCS-UHFFFAOYSA-N
rxn:5:193972:226146:223008,Cc1cc(-c2ccc(SC3CCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C2CCNCC2)ccc1F,FSZFDSONGNSBHE-UHFFFAOYSA-N
rxn:5:193972:229060:225454,Cc1cc(-c2ccc(C#N)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,KJFOYKGWMHVRON-UHFFFAOYSA-N
rxn:5:193972:229267:226836,Cc1cc(-c2nc(C)c(C)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,YLAMZKWYYMJQLH-UHFFFAOYSA-N
rxn:5:194397:223054:228678,CC(C)Cn1nccc1-c1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,ZWVXYUMQYICDDN-UHFFFAOYSA-N
rxn:5:194561:226060:227825,O=C(c1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1cccc(C2CCC2)c1)N1C2CCC1COC2,PRBHFBGTUYFKBV-UHFFFAOYSA-N
rxn:5:194575:226901:225987,O=S1(=O)CCCN1c1ccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)C3)cc1,JYMSHNWDSXCUOD-UHFFFAOYSA-N
rxn:5:194733:226900:228629,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(C2CCC2)s1)N1C2CCC1CC(=C1CC1)C2,VZBJTWUTJVUKEZ-UHFFFAOYSA-N
rxn:5:194733:226901:228986,Cc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1C,NEIUUAUMQBRVKH-UHFFFAOYSA-N
rxn:5:194733:227739:227894,Cc1cc(-c2ccc(-c3cccc(/C=C/C#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cnc1C(F)(F)F,BCCRZDNFJFMGMU-HWKANZROSA-N
rxn:5:194733:228069:226901,O=C(c1cc(-c2ccc(F)c3ccoc23)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,SPDKBAKWEZRVBZ-UHFFFAOYSA-N
rxn:5:194733:228980:227663,C#Cc1cccc(-c2ccc(-c3ccc(C)c(C(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,NJHVQHCUDDZYJI-UHFFFAOYSA-N
rxn:5:194767:225976:223061,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cc(C4CCNCC4)ncc3F)C2)c2ccccc21,XOOBTWPLLWNAFE-UHFFFAOYSA-N
rxn:5:194767:227387:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCCC5)c4)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,WPIRPGJLHRZDKQ-UHFFFAOYSA-N
rxn:5:194791:227805:226900,O=C1C2C(c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc2ccccc2c1,GNYYQWTUEBDVHD-UHFFFAOYSA-N
rxn:5:194791:227824:227942,CCc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc(C6CCC6)cc5)C(=O)C34)cc2)c(OC)c1,NOYYLRXZJKUBBB-UHFFFAOYSA-N
rxn:5:194792:223427:228941,O=C1C2C(c3ccc(-c4ccccc4/C=N/O)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cc(F)c(F)c(F)c2)cc1,GUVLEYBTOGNKED-FIIZHFTISA-N
rxn:5:194792:225873:228597,Cc1cccc(C#N)c1-c1ccc(N2C(=O)C3C(c4ccc(-c5cccc(N6CCOCC6=O)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MHKFOZUQQHARQZ-UHFFFAOYSA-N
rxn:5:194792:226759:226957,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cnc(C)c7ccccc67)cc5)C(=O)C34)cc2)cc(C(F)(F)F)c1,QUJUMHXBTYWZEJ-UHFFFAOYSA-N
rxn:5:196198:227505:225943,O=C(c1ccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)s1)N1CCOCC1,GUTRWUADCMNLIF-VAWYXSNFSA-N
rxn:5:196408:223061:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cc(C3CCNCC3)ncc2F)c1,KIGVOVFVKLXVAJ-UHFFFAOYSA-N
rxn:5:196408:223064:225631,CN1CCN(c2ccc(-c3ccc(C4=NOCCO4)c(-c4ccc(C5CCNCC5)nc4F)c3)cc2)CC1,SYBQXCJMJGXPCO-UHFFFAOYSA-N
rxn:5:196408:223064:225632,CN1CCN(c2cccc(-c3ccc(C4=NOCCO4)c(-c4ccc(C5CCNCC5)nc4F)c3)c2)CC1,OZLGWALFOHUIQB-UHFFFAOYSA-N
rxn:5:196408:223064:225637,CN1CCN(c2ccccc2-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCNCC4)nc3F)c2)CC1,HDFUAGLAZUYGLQ-UHFFFAOYSA-N
rxn:5:196408:223065:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(N3CCNCC3)cc2F)c1,HSLLVXIXCPWTRJ-UHFFFAOYSA-N
rxn:5:196408:225924:225633,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1C1=NOCCO1,LZYQKXQHHYXINO-UHFFFAOYSA-N
rxn:5:196533:225464:226900,CC1CCCN(c2cccc(-c3ccc(N4C(=O)CC(c5ccc(S(F)(F)(F)(F)F)cc5)C4=O)cc3)c2)C1,XLPZDCOSMFCEQA-UHFFFAOYSA-N
rxn:5:196533:225583:225871,O=C(c1cccc(-c2ccc(N3C(=O)CC(c4cccc(N5C(=O)C=CC5=O)c4)C3=O)cc2)c1)N1CCCC1,XRDVQPLJCNVIPC-UHFFFAOYSA-N
rxn:5:196533:225943:227103,O=C(c1ccc(-c2ccc(N3C(=O)CC(c4sccc4C4CCCCC4)C3=O)cc2)s1)N1CCOCC1,PUZJVZVSZDQTNT-UHFFFAOYSA-N
rxn:5:196533:226900:225938,O=C1CC(c2cc(C(F)(F)F)ncc2C2CC2)C(=O)N1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,SYKFFOKUKCQDFJ-UHFFFAOYSA-N
rxn:5:196789:223065:226583,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)s1,IVLWEMYQUMWOOT-UHFFFAOYSA-N
rxn:5:196789:225881:226583,O=C1COCCN1c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1-c1ccc(CN2CCOCC2)s1,CPOOCKAOJDFHMV-UHFFFAOYSA-N
rxn:5:196789:226415:225943,O=C(c1ccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2N2CCOCC2=O)s1)N1CCOCC1,RPQRDATXEUVUHN-UHFFFAOYSA-N
rxn:5:196791:223061:226583,O=C1COCCN1c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(CN2CCOCC2)s1,YZRRKXBPXIHAGL-UHFFFAOYSA-N
rxn:5:196794:226794:225849,O=C1COCCN1c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,BUXVZUJAJHWDIZ-UHFFFAOYSA-N
rxn:5:196870:225879:225584,O=C(c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3F)cc(N3CCOCC3)c2)cc1)N1CCCC1,URIUPHOPCQBKHG-UHFFFAOYSA-N
rxn:5:196871:225394:222981,c1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(N3CCOCC3)c2)cc(NC2CCCCC2)n1,ZBLRIGIUVBEVJA-UHFFFAOYSA-N
rxn:5:196873:223065:225976,Fc1cc(N2CCNCC2)ccc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,NQPMIKQACUTGNL-UHFFFAOYSA-N
rxn:5:196918:226031:226900,O=C1CCCCN1c1cccc(-c2ccc(C(F)(F)F)cc2C(F)F)c1-c1ccc(S(F)(F)(F)(F)F)cc1,JJMKJGMAFWRGFP-UHFFFAOYSA-N
rxn:5:196918:226900:225986,O=C1CCCCN1c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1ccccc1N1CCCS1(=O)=O,BOEAZXZVEBESNT-UHFFFAOYSA-N
rxn:5:196970:225938:225800,O=C(c1ccc(-c2nccc(C3CCCCC3)c2-c2cc(C(F)(F)F)ncc2C2CC2)cc1)N1CCSC1,ADWZISNHHXDKDU-UHFFFAOYSA-N
rxn:5:197526:226045:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2ccc(C(F)(F)C(F)(F)F)nc2)ccc2c1C(=O)CN2C(C)=O,AMCDBKBLAMJXAE-UHFFFAOYSA-N
rxn:5:197526:226452:226035,COc1ccc(C(F)(F)F)c(F)c1-c1c(-c2ccc(C3OCCCO3)cc2)ccc2c1C(=O)CN2C(C)=O,OFBOBZNLKLJBGF-UHFFFAOYSA-N
rxn:5:197876:226837:228531,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cccc3c1CCO3)C(=O)N(C(C)(C)C)S2(=O)=O,YYFFSYCQXDKUPJ-UHFFFAOYSA-N
rxn:5:197876:227279:228653,CC(C)n1nc(C2CC2)cc1-c1cc2c(cc1-c1cnn3c1CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,DDRCCBYUFITYMF-UHFFFAOYSA-N
rxn:5:197876:227766:228678,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccnn1CC(C)C)C(=O)N(C(C)(C)C)S2(=O)=O,ZRCIGQCLCLSDJG-UHFFFAOYSA-N
rxn:5:199168:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(-c2c(C)nn(C3CCCCO3)c2C)c2c1CCCC2,PTAAKGGJKXLAOL-UHFFFAOYSA-N
rxn:5:199280:225925:225589,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1-c1ccc(CN3CCSCC3)cc1)CCC(=O)N2C,CGHAJUGZKNXDNK-UHFFFAOYSA-N
rxn:5:223439:190484:227205,O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCC(c2ccccc2-c2cccc3c2OCCCO3)S(=O)(=O)CC1,GPIXIJGJBGSRKB-UHFFFAOYSA-N
rxn:5:226774:193753:226900,CC1CCCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)cc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,KWMCASXGIOWUFY-UHFFFAOYSA-N
rxn:5:227610:180022:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2ccn(C3CCCCO3)n2)c1C1OCCO1,NKUPHCMNNGIDIL-UHFFFAOYSA-N
rxn:4:173571:224552,COc1ccc(-c2cc(F)cc(COC3CCCCC3)c2)c(CCO[Si](C)(C)C(C)(C)C)c1,OIVDOYLZZBWWJH-UHFFFAOYSA-N
rxn:4:173584:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OC)c(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)cc1OC,VJBSLAUELFXIOZ-UHFFFAOYSA-N
rxn:4:173746:223785,CCOC(=O)COc1ccc(-c2ccc(OCCN3CCN(CC)CC3)c(Cl)c2)cc1F,WIXHWPIOMXFIAA-UHFFFAOYSA-N
rxn:4:173763:223606,COC(=O)C(=O)CC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,ATSOAIVGHYPSRM-UHFFFAOYSA-N
rxn:4:173798:224619,COC(=O)c1cc(F)c(OCC(F)(F)F)cc1-c1ccc(OCCN2CCCC2)c(F)c1,BHVGROQPIDOHAI-UHFFFAOYSA-N
rxn:4:173838:223712,CCOC(=O)CC(=O)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,QGVAIDYBYRESAM-UHFFFAOYSA-N
rxn:4:174076:223892,COC(=O)c1cc(F)c(OCC2CC2)c(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,SQGZJQOSFSQWNS-UHFFFAOYSA-N
rxn:4:174144:223897,COC(=O)c1ccc(-c2ccc(C)c(OCCCN3CCOCC3)c2)cc1OCC(C)C,SLAUHTJWMKIJER-UHFFFAOYSA-N
rxn:4:174161:224100,COC(=O)c1cc(F)c(OCC(C)C)cc1-c1ccccc1OCCN1CCC(C)CC1,SNRXDELQFABOMC-UHFFFAOYSA-N
rxn:4:174257:224182,COC(=O)c1ccc(OCC2CCCO2)c(-c2ccc(OCCN3CCOCC3)c(C)c2)c1,XACPAACXMHYQLL-UHFFFAOYSA-N
rxn:4:174292:223492,Cc1cc(-c2cccc(CCC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QADDKOFGWROSBJ-UHFFFAOYSA-N
rxn:4:174367:223845,COC(=O)c1ccccc1CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,RMLZWNQBMJRQEB-UHFFFAOYSA-N
rxn:4:174378:224586,COc1ccc(-c2cc(F)ccc2CN2CCC(C)CC2)cc1OCCC1OCCCO1,KUFHCAXXFYHOJP-UHFFFAOYSA-N
rxn:4:174381:224712,COc1ccc(-c2ccc(C(OC(C)=O)OC(C)=O)cc2)c(OC)c1C(=O)OC(C)(C)C,OFQAUWZMPBRHAE-UHFFFAOYSA-N
rxn:4:174406:222713,COC(=O)C1(c2ccc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)cc2)CC(OC)(OC)C1,VRWUWWGLXRVYFZ-UHFFFAOYSA-N
rxn:4:174406:225205,COC(=O)C1(c2ccc(-c3cc(C4CC4)c(C(F)(F)F)cc3C)cc2)CC(OC)(OC)C1,MYWXINSQIPJOJD-UHFFFAOYSA-N
rxn:4:174407:222846,COC(=O)C1(c2cccc(-c3cc(C4CCCNC4)ccc3C#N)c2)CC(OC)(OC)C1,WODFLVVQTNIJHM-UHFFFAOYSA-N
rxn:4:174407:224459,COC(=O)C1(c2cccc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c2)CC(OC)(OC)C1,FNRNKRFJCLEYTG-UHFFFAOYSA-N
rxn:4:174407:225007,COC(=O)C1(c2cccc(-c3cccc(CN4CCCCC4)c3F)c2)CC(OC)(OC)C1,GBTVETXGSGYEPN-UHFFFAOYSA-N
rxn:4:174468:222673,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1cc(C(=O)NC2CCCCC2)ccc1Cl,ZYAFQWHFUPPNFM-UHFFFAOYSA-N
rxn:4:174519:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(F)c(OC2CCC(OCc3ccccc3)CC2)c(F)c1,RNHNIQQXWDGUMY-UHFFFAOYSA-N
rxn:4:174573:224712,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(OC(C)=O)OC(C)=O)cc3)c1)C2=O,XURJUCIXNZBHHK-UHFFFAOYSA-N
rxn:4:174663:223704,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2)cc1,HTIMTCNPESJHQC-YMLAFDSMSA-N
rxn:4:174663:226723,COC(=O)c1cnc(OC)cc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,UZXOGNFYRDDFQG-XWUPBQEJSA-N
rxn:4:174663:226901,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,RHXMWBUBSATLMM-PDMYYMTQSA-N
rxn:4:174663:227593,COc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(OC)cc1Cl,JBYPGXDOJXUVHX-FVGXOMELSA-N
rxn:4:174663:228890,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc(F)c(C#N)c2)cc1,VAVBKRJHSJQNRP-IJSUORRQSA-N
rxn:4:174663:229204,CCc1sccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,PPXRDZOBDPHAFQ-IJSUORRQSA-N
rxn:4:174663:229340,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ncco2)cc1,NPNUJKOFUSWOGD-XLQNIAEWSA-N
rxn:4:174788:223539,COC(=O)CC(=O)c1cccc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,FRUAKEAINSTADB-UHFFFAOYSA-N
rxn:4:174829:223651,COc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)ccc1OCC(F)(F)F,VNADFYHXUIGTEI-UHFFFAOYSA-N
rxn:4:175048:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCC(=O)C3CC3)c(F)c2)CC1,ZNYNNRSBXJXTNS-UHFFFAOYSA-N
rxn:4:175360:223940,CCOC(=O)c1cc(C)c(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c(OC)c1F,AXOYDHFKBVGWOE-UHFFFAOYSA-N
rxn:4:175827:223954,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,SDLFIVPNWRHNIM-UHFFFAOYSA-N
rxn:4:176127:223534,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,MJQWSZGNFRVASZ-UHFFFAOYSA-N
rxn:4:176127:223595,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,LUHFBWOTBITEOV-UHFFFAOYSA-N
rxn:4:176127:223886,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cccc2c1CCN(C(=O)OC(C)(C)C)C2,DDSNJSUBAWHCDI-UHFFFAOYSA-N
rxn:4:176127:223889,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,CUSWAODTIWDREU-UHFFFAOYSA-N
rxn:4:176215:223945,COCCOC1CCCOc2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ccc21,WDPABOCQOXYWAH-UHFFFAOYSA-N
rxn:4:176236:224830,CC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C(F)(F)F)nn1C1CCCCO1)C2=O,KSZCIPIZIPTWFF-UHFFFAOYSA-N
rxn:4:176317:227009,CCC(C)Oc1ccccc1-c1ccc(OCC(F)(F)F)c(C23CC4CC(CC(C4)C2)C3)c1,UBOVGCKGWIGTHQ-UHFFFAOYSA-N
rxn:4:176317:227826,CC(C)(C)c1cccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)c1,RHNVBSUREVMEPQ-UHFFFAOYSA-N
rxn:4:177274:223480,Cc1cc(-c2ccc(COC(C)C)c(Cl)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ILXUIIDBYYGHOV-UHFFFAOYSA-N
rxn:4:178317:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(F)cccc1O[Si](C)(C)C(C)(C)C,KIQCZTKEOYHPGK-UHFFFAOYSA-N
rxn:4:178361:223976,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)c1,ZFQJRFVBFMKDIZ-UHFFFAOYSA-N
rxn:4:178384:225733,CCCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cc1F,JQCNVMLJGNDAGG-UHFFFAOYSA-N
rxn:4:178384:225764,CCCOc1c(F)c(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,DWIFEKNSAGAMQT-UHFFFAOYSA-N
rxn:4:178384:226228,COCCCOc1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KCSTVGLGSSWAOV-UHFFFAOYSA-N
rxn:4:178384:226251,CCCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)ccc1Cl,GCGKGMKZYJPMEV-UHFFFAOYSA-N
rxn:4:178384:226252,CCCCOc1cc(Cl)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ODOZDMMGEMXIPW-UHFFFAOYSA-N
rxn:4:178384:226256,CCCCOc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,IBDRMQXZYRDOBS-UHFFFAOYSA-N
rxn:4:178384:226257,CCCCOc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZBOJFFSNCQYBIL-UHFFFAOYSA-N
rxn:4:178384:226420,Fc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1N1CCCC1,LCDWABXXSJBOAY-UHFFFAOYSA-N
rxn:4:178384:226554,CCCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,WGBATNSFOVFHMW-UHFFFAOYSA-N
rxn:4:178384:226555,CCCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cc1F,WLHOIVSCMUIHOM-UHFFFAOYSA-N
rxn:4:178588:222634,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ccc2C1,BHVNAUCIVSRVKS-UHFFFAOYSA-N
rxn:4:178594:223142,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(C2CCCNC2)nc1,PNAAHTOLHLOPRW-UHFFFAOYSA-N
rxn:4:178598:222775,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC(O)CC3)c(F)c2)c1,ZANPZRJBSPSYOL-UHFFFAOYSA-N
rxn:4:178598:224493,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1,VEUWTBGJSFUUEU-UHFFFAOYSA-N
rxn:4:178598:224620,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)c1,GISNSFDGCFHRMW-UHFFFAOYSA-N
rxn:4:178598:224952,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cccc(CCN3CCOCC3)c2)c1,KWIZSGJDOAMMOK-UHFFFAOYSA-N
rxn:4:178598:225059,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(N3CCC(C)CC3)cc2Cl)c1,GPKVEXHSDVIQJR-UHFFFAOYSA-N
rxn:4:178598:225168,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCOCC3)c(F)c2)c1,SWGGUMLLRFRCQH-UHFFFAOYSA-N
rxn:4:179653:223712,COc1ccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc1C12CC3CC(CC(C3)C1)C2,YLBFSURWCVJELS-UHFFFAOYSA-N
rxn:4:179653:224781,FC(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)ccc1C1CCCO1,PDAHIUUSKJIGIA-UHFFFAOYSA-N
rxn:4:179789:223522,C#CC1(c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)CCC1,MOJVSKCDBKPGJZ-UHFFFAOYSA-N
rxn:4:180180:223693,C#CC1(c2ccc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c3F)cc2)CCCC1,ZMDUFIYBOYVGTD-UHFFFAOYSA-N
rxn:4:180289:223481,COc1c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc(C)cc1C1OCCO1,VFBFPXZVZUVNQK-UHFFFAOYSA-N
rxn:4:180390:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CC4)cc3C3CCCO3)cc2F)CC1,BILVHWGWJYLWGI-UHFFFAOYSA-N
rxn:4:180455:223693,Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)cc1OC1CCCCC1,SDAZFHRDDJZCRX-UHFFFAOYSA-N
rxn:4:180815:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,MLSHPXOZMJONRM-UHFFFAOYSA-N
rxn:4:181250:223521,CC(=O)c1ccc(F)c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,OWDKFVCDRSDMAE-UHFFFAOYSA-N
rxn:4:182106:224552,Cc1c(F)c(-c2cc(F)cc(COC3CCCCC3)c2)cc(C2OCC(C)(C)CO2)c1F,YGKQYBMAELIZOR-UHFFFAOYSA-N
rxn:4:182161:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4c(cc3S(=O)[O-])OCCO4)cc2)CC1,RHNCVJRYTZAJLN-UHFFFAOYSA-M
rxn:4:182376:222947,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cnc(N5CCCC(O)C5)nc4Cl)cc3C2=O)C[C@@H]1C,NXKAWSXZORMBIF-RUDZIHEASA-N
rxn:4:183184:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CC(C)(C)C4=O)cc2Cl)CC1,UMQWHPWZMUTDLH-UHFFFAOYSA-N
rxn:4:183216:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(Cl)c2c(c1)C(=O)CC(C)(C)O2,DJJYAMHROJFLEY-UHFFFAOYSA-N
rxn:4:183234:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3(CCOC3)CC4=O)cn2)CC1,TUKKVEOPKLVWOA-UHFFFAOYSA-N
rxn:4:183272:223310,c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1NC1CC1,YRLOGGIZVHUWEK-UHFFFAOYSA-N
rxn:4:183272:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,NIJHJBGKUJHHHY-UHFFFAOYSA-N
rxn:4:183272:224552,Fc1cc(COC2CCCCC2)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,FCSDQXNQZINQGL-UHFFFAOYSA-N
rxn:4:183272:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(Cl)c1,ADNAUEBPJJDFBM-UHFFFAOYSA-N
rxn:4:183273:222857,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCNCC2)c1,WFELUJYBGGDMKK-UHFFFAOYSA-N
rxn:4:183273:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KKPLGLHMWZVQKL-UHFFFAOYSA-N
rxn:4:183273:224925,Clc1ccc2oc3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3c2c1,FVMDOINULVIUES-UHFFFAOYSA-N
rxn:4:183273:228100,CCCn1nc(C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1C,MTHAABVMBRRGHB-UHFFFAOYSA-N
rxn:4:183274:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OEJSVDNHYYQWRV-UHFFFAOYSA-N
rxn:4:183274:227204,O=c1ccc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2o1,FUYZAPFMBGVOCB-UHFFFAOYSA-N
rxn:4:183482:224691,CCOC(=O)C(=O)Cc1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)cc1[N+](=O)[O-],BWBASBOJBLUAIU-UHFFFAOYSA-N
rxn:4:183487:222426,CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,ADPXJMSLROFDJG-UHFFFAOYSA-N
rxn:4:183688:223844,COCCOc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)ccc1C(=O)N1CCC1,IMQOHQDBMIYKTJ-UHFFFAOYSA-N
rxn:4:183771:223946,CCN(Cc1cccc(-c2ccc(N(CC)C(=O)OC(C)(C)C)cc2Cl)c1)c1ccc(OC(F)(F)F)cc1,CCLZEJBYKKDRSH-UHFFFAOYSA-N
rxn:4:183787:222741,CCN(Cc1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc1Cl)C(=O)OC(C)(C)C,NSAWYMCTBTUDCY-UHFFFAOYSA-N
rxn:4:183839:227656,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc(N3CCOCC3)cs2)cc1,KXFDWAWCEQCDQX-UHFFFAOYSA-N
rxn:4:183882:223169,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3cnc(C4CCNCC4)nc3)c2)C1,TXMMMVZSBURLAN-UHFFFAOYSA-N
rxn:4:183882:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,MSDYLFJIITVITK-UHFFFAOYSA-N
rxn:4:183882:223888,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)C1,XHULKMRILXTIKZ-UHFFFAOYSA-N
rxn:4:183902:224254,COC1CCN(CCCOc2c(F)cccc2-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)CC1,KKTUYAGZEKFAGL-UHFFFAOYSA-N
rxn:4:183902:224591,COC1CCN(CCCOc2c(F)cccc2-c2ccc(Cl)c(CN3CCC(C)CC3)c2)CC1,DGVNZRLVDVAVHM-UHFFFAOYSA-N
rxn:4:183944:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,MYHXBIOPBADPFH-UHFFFAOYSA-N
rxn:4:183961:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1,OLMKYINCHSANKP-FQEVSTJZSA-N
rxn:4:183963:224720,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,XXXQFUBPAYZWBJ-UHFFFAOYSA-N
rxn:4:183964:223835,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)c1,OATVEKUTTMWMOQ-UHFFFAOYSA-N
rxn:4:183964:225754,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cc(C(=O)OC)ncc2C2CC2)c1,SHSGIXKWEBOIPB-UHFFFAOYSA-N
rxn:4:183969:223540,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)c(OC)c2)CC1,YWYUEPOXBXPTPE-UHFFFAOYSA-N
rxn:4:183969:224466,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(-c4ccoc4)cc(C(C)(C)C)c3)c(OC)c2)CC1,AMPVACMYGZIERD-UHFFFAOYSA-N
rxn:4:183969:225297,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCC4)c3)c(OC)c2)CC1,VGULJEPWNUWPDA-UHFFFAOYSA-N
rxn:4:184001:223594,COC(=O)C1(c2ccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,BCNXQSCHWRFIPT-UHFFFAOYSA-N
rxn:4:184001:224290,COC(=O)C1(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,BTABELCQDIIGOG-UHFFFAOYSA-N
rxn:4:184013:224486,CC(C)N(C(=O)c1cccc(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)C(C)C,KQYVEYVCJYLIOE-UHFFFAOYSA-N
rxn:4:184016:223480,Cc1cc(-c2ccccc2COC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WGXCSPFPXWFDGK-UHFFFAOYSA-N
rxn:4:184020:226241,COC(=O)CCc1cccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C)c2)c1,FAWKKMMCULRCMY-QHCPKHFHSA-N
rxn:4:184025:223492,Cc1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DQZSIBUSEVFIOQ-UHFFFAOYSA-N
rxn:4:184026:228487,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cccc(F)c3[N+](=O)[O-])ccc2Cl)C1,KJTHEJSOJDSEBO-UHFFFAOYSA-N
rxn:4:184029:225269,COC(=O)c1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)c(C(=O)OC)c1,QSUBNTBKBGRCAW-UHFFFAOYSA-N
rxn:4:184055:223493,COc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,YLTPVJDPNKRPJB-UHFFFAOYSA-N
rxn:4:184092:227062,CCOc1ccc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)c(C)c1C,WGILVVLWUSKJGK-UHFFFAOYSA-N
rxn:4:184187:222791,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)ccc2S1(=O)=O,HXZZPSRGCXTIRH-UHFFFAOYSA-N
rxn:4:184187:225758,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccncc3C(=O)OC(C)(C)C)ccc2S1(=O)=O,NVVNMHGDTXHBOS-UHFFFAOYSA-N
rxn:4:184195:223502,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,WOASVUJSZFCEBK-UHFFFAOYSA-N
rxn:4:184195:223596,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,SXAOVUKREZTOGC-UHFFFAOYSA-N
rxn:4:184284:223696,CCOC(=O)COc1cccnc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,YQJFFKKEUWFRMO-UHFFFAOYSA-N
rxn:4:184774:224817,O=C(CCc1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1)ON1C(=O)CCC1=O,ZXCIYBWHXGYSKF-UHFFFAOYSA-N
rxn:4:184814:223687,CCN(CC)CCc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1Cl,GOIQOKHJPLRFES-UHFFFAOYSA-N
rxn:4:184848:225159,CCOc1cc(-c2cccc(C(=O)N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,AZAUWPVNRZJRRS-UHFFFAOYSA-N
rxn:4:184902:223810,Cc1cc(-c2cccc(OCCCN3CCCC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,VLQYKDJEHHJXQT-UHFFFAOYSA-N
rxn:4:185025:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)c(Cl)cn1,XYBWXAYZXZWPPZ-UHFFFAOYSA-N
rxn:4:185045:225995,CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(-c3cc(C#N)ccc3OC(F)(F)F)c2)C1,CGSOKDZESAFBPW-UHFFFAOYSA-N
rxn:4:185086:224704,Cc1cc(-c2cc(F)c(F)c(N3CCC(C)CC3)c2)ccc1OCCCN1CCOCC1,RMYNGBFROCKZCF-UHFFFAOYSA-N
rxn:4:185093:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2OCCCN2CCOC(C)C2)CC1,CUMQNZGOPRXNIW-UHFFFAOYSA-N
rxn:4:185093:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3OCCCN3CCOC(C)C3)c2)CC1,URDPRSRKGTVHEP-UHFFFAOYSA-N
rxn:4:185100:222621,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,ISBCXHCTLPPWFT-UHFFFAOYSA-N
rxn:4:185126:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc([N+](=O)[O-])c1CO[Si](C)(C)C(C)(C)C,GVIZPYZKEKMPPQ-UHFFFAOYSA-N
rxn:4:185146:227611,COc1cc(C(=O)N2CCOCC2)c(-c2ccnn2C2CCCCO2)c(OC)c1OC,OJCBVWAXODPJQA-UHFFFAOYSA-N
rxn:4:185165:223084,CC(C)(C)OC(=O)N1CC(c2cc(-c3cnc(N4CCC(O)CC4)nc3)ccc2C(F)(F)F)C1,RGHUNQKRTXRKEY-UHFFFAOYSA-N
rxn:4:185165:226138,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(C(F)(F)F)c(C2CN(C(=O)OC(C)(C)C)C2)c1,CLKSJLJSBNJMJF-UHFFFAOYSA-N
rxn:4:185193:224187,CC1CCN(CCCOc2c(F)cccc2-c2ccc(OCCN3CCCCC3)cc2F)CC1,TXMBLQWZRVLSQC-UHFFFAOYSA-N
rxn:4:185197:223528,Cc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC1CN(C(=O)OC(C)(C)C)C1,IJFWIAKIVICYBF-UHFFFAOYSA-N
rxn:4:185197:223533,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1OC1CN(C(=O)OC(C)(C)C)C1,LRWMKFKAFQEVBO-UHFFFAOYSA-N
rxn:4:185202:224280,COc1cc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1C1CN(C(=O)OC(C)(C)C)C1,QPYMSJIWTPIIAY-UHFFFAOYSA-N
rxn:4:185203:223084,COc1ccc(-c2cnc(N3CCC(O)CC3)nc2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,XJEGRBFYSUXLDT-UHFFFAOYSA-N
rxn:4:185207:223931,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2Cl)C1,MTLPRIBOSWQFNC-UHFFFAOYSA-N
rxn:4:185269:222717,Cc1cc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,BDKIKTBQZXDROZ-UHFFFAOYSA-N
rxn:4:185271:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)c2)CC1,KESKMVURCFDOKE-UHFFFAOYSA-N
rxn:4:185309:223932,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)CC1,VRDHLMDGPDBXEB-UHFFFAOYSA-N
rxn:4:185319:224292,Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(C3CC3)c2)ccc1S(=O)(=O)OCC(C)(C)C,FXMYTOFFDPSDGM-UHFFFAOYSA-N
rxn:4:185319:226716,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cc2C2CC2)C1,DEKLCKLSTWMUGJ-UHFFFAOYSA-N
rxn:4:185324:223501,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,CONPCXRBVSILHA-UHFFFAOYSA-N
rxn:4:185352:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,CKQYIVQJJAIMGN-UHFFFAOYSA-N
rxn:4:185352:223668,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)cc2)CC1,KRMKPBRGHATHMM-UHFFFAOYSA-N
rxn:4:185352:226502,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)cc2)CC1,GBTMMOAUMZEIHJ-UHFFFAOYSA-N
rxn:4:185354:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,HMUWYTCVMAQYGB-UHFFFAOYSA-N
rxn:4:185354:226607,CC(C)Oc1cc(Cl)cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1F,QASRYPOVIREAPN-UHFFFAOYSA-N
rxn:4:185378:224278,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,DBEOONUGODWLOS-UHFFFAOYSA-N
rxn:4:185381:228487,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cccc(F)c3[N+](=O)[O-])cc(C(F)(F)F)c2)C1,FVJHKJHIIVYPAD-UHFFFAOYSA-N
rxn:4:185382:223526,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2C(F)(F)F)CC1,VRICGFQZUHPOOT-UHFFFAOYSA-N
rxn:4:185387:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cnc1Cl,RPAZIRZJGSYRHT-UHFFFAOYSA-N
rxn:4:185401:224811,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,FIHZLUTUHOJVNN-UHFFFAOYSA-N
rxn:4:185408:223152,CN(C)C(=O)Nc1ccc(-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1,GBGQYIXJQHSOQB-UHFFFAOYSA-N
rxn:4:185410:222729,CCCc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc(C2CCCNC2)n1,WAGLFWHXVARRKJ-UHFFFAOYSA-N
rxn:4:185411:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(C4CC4)c3)cc2F)CC1,RMMVRQZWYXBBTJ-UHFFFAOYSA-N
rxn:4:185423:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2[N+](=O)[O-])CC1,WWRIBZVPUGUSNO-UHFFFAOYSA-N
rxn:4:185439:225286,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc(C2CC2)c1,RNFBSFOXNLKZRA-UHFFFAOYSA-N
rxn:4:185439:226715,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnn(C(=O)OC(C)(C)C)c2)cc(C2CC2)c1,IEXSUAHZVIFHTD-UHFFFAOYSA-N
rxn:4:185546:227390,COC(=O)c1cc(-c2ccnn2C2CCCCC2)cc2c1OCCN(C(=O)OC(C)(C)C)C2,AIKUEJNKCAGGNN-UHFFFAOYSA-N
rxn:4:185962:223606,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc([N+](=O)[O-])c1,YAGYBAMJRLNKTO-UHFFFAOYSA-N
rxn:4:185966:223696,CCOC(=O)c1cccc([N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,YRJHKSLDMPTNAV-UHFFFAOYSA-N
rxn:4:185986:223811,COC(=O)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)nc1C(=O)OC,KUKOHDLHGNDKOF-UHFFFAOYSA-N
rxn:4:186066:223696,COC(=O)Cc1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1OC,XFJNEHAURFGMOB-UHFFFAOYSA-N
rxn:4:186327:223559,CCOC(=O)c1cnc(C2CC2)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,ZPQMUGJWQGAKKR-UHFFFAOYSA-N
rxn:4:186346:223501,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WOASGKNRPIJRJN-UHFFFAOYSA-N
rxn:4:186495:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CC(=O)ON3C(=O)CCC3=O)cc2)cc1,POLLYKWCILUTEG-MRXNPFEDSA-N
rxn:4:186533:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cn2)CC1,ZCDOCDJRWYMBNP-UHFFFAOYSA-N
rxn:4:186542:226466,CN1C(=O)COc2cc(-c3ccc(C(F)(F)F)c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,TZZAVPKERDRDEM-UHFFFAOYSA-N
rxn:4:186545:227680,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OC(F)(F)O3)c(C(F)(F)F)cc1F,CKTGTVAWKTYCBI-UHFFFAOYSA-N
rxn:4:186660:224992,COc1cccc(-c2ccccc2CN2CCC(=O)CC2)c1C(=O)ON1C(=O)CCC1=O,XSWRYWXGMVSBJP-UHFFFAOYSA-N
rxn:4:186662:225295,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1C(=O)ON1C(=O)CCC1=O,HTTVWQFEEZWUHJ-UHFFFAOYSA-N
rxn:4:186663:225832,COc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2c(C)nn(C3CCCCO3)c2C)c1,YKZHSALAGBUWIO-UHFFFAOYSA-N
rxn:4:186922:223810,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,ZEGQGXSQOAYTHJ-UHFFFAOYSA-N
rxn:4:186922:224991,O=S(=O)(c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1OC(F)(F)F)N1CCOCC1,AWQDVCRDBFJJCP-UHFFFAOYSA-N
rxn:4:186990:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)CC(=O)N4CCOCC4)cc3)c2)C1,RJWSAXJFFNXYNX-UHFFFAOYSA-N
rxn:4:186992:225297,O=C(CS(=O)(=O)c1ccccc1-c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1,OHJSBYBUFLJYID-UHFFFAOYSA-N
rxn:4:186995:223660,COc1ccc(N(C)C(=O)c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)cc1,SPZRQUCFLOGYFZ-UHFFFAOYSA-N
rxn:4:187184:224829,COC(=O)c1ccc(-c2cccc(CN3CCC(C(=O)OC)CC3)c2)cc1OC(F)(F)F,FJDAEEHHWYJTOL-UHFFFAOYSA-N
rxn:4:187189:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)cc2C1,KKGDOYMFFGAQGB-UHFFFAOYSA-N
rxn:4:187189:224414,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc2)C1,WRQRGMWIKIGBDS-UHFFFAOYSA-N
rxn:4:187203:222810,CC(C)(C)OC(=O)Nc1cc(-c2cc(Cl)ccc2C2CN(C(=O)OC(C)(C)C)C2)c(Cl)cn1,HIOBDQWOVYMWAA-UHFFFAOYSA-N
rxn:4:187206:223790,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c(Cl)c2)C1,QDUYDUYBFWZEJI-UHFFFAOYSA-N
rxn:4:187303:224494,COC1CCN(CCc2cc(F)ccc2-c2ccc(CCOC3CCCCO3)cc2)CC1,XOZCOXJTEHYJRI-UHFFFAOYSA-N
rxn:4:187313:225297,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1,JUPYSFDPIJKDPH-UHFFFAOYSA-N
rxn:4:187327:223179,CONC(=O)c1cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)ccc1F,BXQYIMNQQKUJKP-GOSISDBHSA-N
rxn:4:187327:226541,COC(=O)c1ccc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)cc1OC,MRUSXYHSMDJDST-GOSISDBHSA-N
rxn:4:187327:226854,COc1ccc(F)c(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)c1[N+](=O)[O-],OUQJOGLRZVRJNG-OAHLLOKOSA-N
rxn:4:187403:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN(CC)C4CCCCC4)c3)c(F)c2)CC1,VCNGBUUWQUXJEL-HCGLCNNCSA-N
rxn:4:187413:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)C1,BMOZBLDQGWBZOM-UHFFFAOYSA-N
rxn:4:187413:224290,CC(C)(C)OC(=O)N1CCCC1c1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c1,AOWYVRDKKZMWEL-UHFFFAOYSA-N
rxn:4:187419:223790,Cc1cc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,KUWSYEYFFXPCDO-UHFFFAOYSA-N
rxn:4:187420:223636,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,HPYQGSIGPYSWCC-UHFFFAOYSA-N
rxn:4:187438:224356,Cc1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,XFVCNCCXRVUXTE-UHFFFAOYSA-N
rxn:4:187445:226021,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2F)C1,ZQKZMGIMPAWQBH-UHFFFAOYSA-N
rxn:4:187475:224022,CCC1CCCCN1c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1COC,PNUUVZHXXWKZBR-UHFFFAOYSA-N
rxn:4:187542:224321,COc1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc(OC)c1CN1CCC(C)CC1,BXDJEDOLSSCRJY-UHFFFAOYSA-N
rxn:4:187570:224704,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cc(F)c(F)c(N2CCC(C)CC2)c1,CHTYBEANIBVGFB-UHFFFAOYSA-N
rxn:4:187578:223505,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,DGYUOMJGLLBCEL-UHFFFAOYSA-N
rxn:4:187579:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)co1,ISUPYRBETRRGNW-UHFFFAOYSA-N
rxn:4:187581:223084,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(N3CCC(O)CC3)nc2)co1,JQKLOZQUVCINTM-UHFFFAOYSA-N
rxn:4:187587:226716,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cc2Cl)CC1,UQVRVGDQLAEVNY-UHFFFAOYSA-N
rxn:4:187589:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,UQNHXUKWDYIKBB-UHFFFAOYSA-N
rxn:4:187593:224271,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc2F)C1,NRCSYNZUEJNILU-UHFFFAOYSA-N
rxn:4:187594:223040,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccc(C(=O)NC4CC4)c(F)c3)c2)C1,AHCXDOOZEVVSHP-UHFFFAOYSA-N
rxn:4:187595:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cc(F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,MCUUIJVRMTUYIH-UHFFFAOYSA-N
rxn:4:187626:222944,CCOc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,YFJNDBOCAGNNNA-UHFFFAOYSA-N
rxn:4:187634:228975,O=C(C1CCCCC1)N(c1ccc(-c2cnn(C(F)(F)F)c2)cc1)C1C=CS(=O)(=O)C1,DLHVKZPRCMDEQU-UHFFFAOYSA-N
rxn:4:187639:223593,Cc1ccc(N(C(=O)c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)C2C=CS(=O)(=O)C2)cc1C,JGZRSQMGUIEHPB-UHFFFAOYSA-N
rxn:4:187664:223575,Cc1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,RWRPCJUHWSLUKV-UHFFFAOYSA-N
rxn:4:187664:223940,Cc1cc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,GGRXUOGSDWGCIA-UHFFFAOYSA-N
rxn:4:187668:223646,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,VGLXYAXUVZOHTH-UHFFFAOYSA-N
rxn:4:187670:223650,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,RGIQOJRAZMTJFC-UHFFFAOYSA-N
rxn:4:187695:223203,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc(C4(O)CCC4)c3)c2)CC1,LREPLNDXGDJXBK-UHFFFAOYSA-N
rxn:4:187696:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,XQBRSANLEZAZRO-UHFFFAOYSA-N
rxn:4:187779:223597,COCCCN1CCOc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc21,SACQHGLHUNYKHD-UHFFFAOYSA-N
rxn:4:187800:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccc(Cl)cc2)CC1,SPFDRVIRYWULBQ-UHFFFAOYSA-N
rxn:4:187822:223773,COc1cccc2cc(-c3ccc4c(c3)CN(CC(=O)OC(C)(C)C)C4=O)n(C(=O)OC(C)(C)C)c12,OICYCMKDQKTBMI-UHFFFAOYSA-N
rxn:4:187927:222612,COC(=O)Cn1c(-c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2C)c(C)c2cc(Cl)c(F)cc21,RSXZWHZAJYRYTM-UHFFFAOYSA-N
rxn:4:187944:226056,c1cc2c(cc1-c1c3c(cc4c1CCC4)CCC3)OCCCC2OCCN1CCOCC1,UTFAQAVYZYVZHV-UHFFFAOYSA-N
rxn:4:187944:226261,CCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1OCC,MKNLRGCSEWTGCH-UHFFFAOYSA-N
rxn:4:187999:223590,COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,RDVCCFLHCKVGLI-UHFFFAOYSA-N
rxn:4:188469:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(F)cc1[N+](=O)[O-],KPCHTZVSAKPJDP-UHFFFAOYSA-N
rxn:4:188975:223598,CC(C)Oc1cc([N+](=O)[O-])ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,YEHWZEWROQBGEI-UHFFFAOYSA-N
rxn:4:189213:224772,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2Cl)c(F)c1,GSMGWAWLVDYMNW-UHFFFAOYSA-N
rxn:4:189217:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(F)cccc3C(=O)ON3C(=O)CCC3=O)c(F)c2)CC1,KOHXUUABLLWFTL-UHFFFAOYSA-N
rxn:4:189780:222426,CN(Cc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(F)c1)C1CCC1,NASBVGYHTFONBP-UHFFFAOYSA-N
rxn:4:189922:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C4CCOCC4)ncc3C(=O)OC)c2)CC1,DVVSUOUYDKROIY-UHFFFAOYSA-N
rxn:4:189943:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3CS(=O)(=O)N3CCOCC3)cc2Cl)CC1,FKXVHOGUDYASIV-UHFFFAOYSA-N
rxn:4:190123:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(C2(C(=O)N3CCCC3)CC2)cc1,RKBJHUXCAMSAME-UHFFFAOYSA-N
rxn:4:190224:222729,CCCc1cc(-c2ccc(CN3CCOCC3)c(S(C)(=O)=O)c2)cc(C2CCCNC2)n1,SCPNDJAXVZASBK-UHFFFAOYSA-N
rxn:4:190237:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(-c4ccc(C(=S)N5CCOCC5)o4)cc3)c2)CC1,MZBOQYVSPXBVHH-UHFFFAOYSA-N
rxn:4:190250:223699,CN(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(C(C)(C)C)c1,VCAMLANKYNZQNA-UHFFFAOYSA-N
rxn:4:190261:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCN(C)CC4)cc3OC)c(F)c2)CC1,BDEUATMSNQIXTG-MEMLXQNLSA-N
rxn:4:190372:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCC(OC)CC4)c3)cc2)CC1,WDKUYNMEPZIHJJ-DUYHBEBVSA-N
rxn:4:190377:224080,COc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,COPIIYOHWZGQHR-UHFFFAOYSA-N
rxn:4:190380:224633,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(CN2CCOCC2)ccc1OC,OBEQBSGMYNIVDI-UHFFFAOYSA-N
rxn:4:190381:224198,CCN1CCN(Cc2ccc(-c3cc(C)cc(S(=O)(=O)N4CCCC(OC)C4)c3)c(F)c2)CC1,MPAFSEBYCWWYGX-UHFFFAOYSA-N
rxn:4:190948:224653,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccc2S1(=O)=O,LZPDDHSGDLDWFO-UHFFFAOYSA-N
rxn:4:191104:222929,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc12,OLUGPIYGGJLISC-UHFFFAOYSA-N
rxn:4:191120:228514,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cccc(C4CC4)c3)cc1C2=O,KAKBLZLBTOJJFK-UHFFFAOYSA-N
rxn:4:191121:223773,COc1cccc2cc(-c3ccc4c(c3F)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)n(C(=O)OC(C)(C)C)c12,VVUHSNHGQIOXQA-UHFFFAOYSA-N
rxn:4:191121:224720,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c(F)c1C2=O,QAAGJJQDXRIVCM-UHFFFAOYSA-N
rxn:4:191123:223790,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)c32)CC1,QQZQNEGMPCBNCC-UHFFFAOYSA-N
rxn:4:191123:224279,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)c32)CC1,MCGYVPJFNRTGFQ-UHFFFAOYSA-N
rxn:4:191125:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,MGZMIHHQAVUMOO-UHFFFAOYSA-N
rxn:4:191127:225233,CC1CCCN(c2cc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cnc2Cl)C1,MSUWPZBBCQLWTB-UHFFFAOYSA-N
rxn:4:191127:229091,CC(=O)c1occc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,NCGCYSCETKNCOC-UHFFFAOYSA-N
rxn:4:192732:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCOCC1,LNYKZBDSTGDAIP-UHFFFAOYSA-N
rxn:4:192732:223809,O=C(c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)o1)N1CCOCC1,XNRRNBOFPAWQTG-UHFFFAOYSA-N
rxn:4:192773:223500,CSC1=NC(=Cc2cccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C(=O)S1,XMXAFGAURCDAAN-UHFFFAOYSA-N
rxn:4:193001:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccc(OC4CCOCC4)n3)c(F)cn2)CC1,DWFADWHNMRZIER-UHFFFAOYSA-N
rxn:4:193122:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(=O)N4CCCC4)cc(F)c3F)cc2)CC1,CUZXONPBHKRCIM-UHFFFAOYSA-N
rxn:4:193518:225155,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,QTHAAAAHGFKCFT-UHFFFAOYSA-N
rxn:4:193603:222721,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)c(F)c1)N1CCCCC1,GJSOUFWESXMXPO-UHFFFAOYSA-N
rxn:4:193627:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1,KBONKCLRBITYAT-UHFFFAOYSA-N
rxn:4:193683:222524,C[C@H]1COCCN1Cc1ccc(F)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,HRSFMKJBFPETBZ-HNNXBMFYSA-N
rxn:4:193683:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CN2CCOC[C@@H]2C)ccc1F,QOIIVXLQCNONCF-KRWDZBQOSA-N
rxn:4:193733:223812,CC(C)(C)[C@H]1COC(c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)=N1,NJWJATYROMIMPV-XMMPIXPASA-N
rxn:4:193738:223940,C[C@@H](c1cccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)c1)N1CCC(=O)CC1,OLVCKDAIIJKFRY-SFHVURJKSA-N
rxn:4:193743:223993,Cc1cc(-c2cc(N3CCOCC3)ccc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,SDMZNWMCIXCFNO-UHFFFAOYSA-N
rxn:4:193828:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)CC1,ZHUFUHCTNYFQSE-UHFFFAOYSA-N
rxn:4:193850:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CC)cc(N4CCC(F)(F)CC4)c3)c(F)c2)CC1,YRGJOTWSRAZSKY-HZCBDIJESA-N
rxn:4:193855:224830,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1cc(C(F)(F)F)nn1C1CCCCO1,HTMDMKBSTYBLNZ-IWPPFLRJSA-N
rxn:4:193874:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cc2F)CC1,OVANKTKGEGAGPF-UHFFFAOYSA-N
rxn:4:193874:224378,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2F)CC1,XXNINNODWKBJRN-UHFFFAOYSA-N
rxn:4:193881:222604,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)NC1CCCC1,FYWNRXOOQWVTGV-UHFFFAOYSA-N
rxn:4:193881:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,OUFKNABCXBSJPB-UHFFFAOYSA-N
rxn:4:193881:224482,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(OCCCN3CCCC3)c2)CC1,NIYLHMVOTREXKU-UHFFFAOYSA-N
rxn:4:193960:224655,Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2F)c(S(=O)(=O)N2CCCCC2)cc1C,RBIYKFYHENQVOR-UHFFFAOYSA-N
rxn:4:193961:222589,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,WTVRYARKQUMWQY-UHFFFAOYSA-N
rxn:4:193961:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C,HKQNFCAUHHJYBV-UHFFFAOYSA-N
rxn:4:193973:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,XURVBLCXWBASAP-YHBQERECSA-N
rxn:4:193974:225869,O=S(=O)(c1cccc(-c2ccc(N3CCOCC3)c(Cl)c2)c1)N1CCC2(CC1)OCCO2,YJYKAAZXNWBJKV-UHFFFAOYSA-N
rxn:4:193999:224819,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,MXACKHADRYASBZ-UHFFFAOYSA-N
rxn:4:194416:223696,CC(C)CN1C(=O)C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc21,QLXWVPDIAQQJMS-UHFFFAOYSA-N
rxn:4:194677:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4oc(=O)c(S(=O)(=O)N5CCCCC5)cc4c3)ccn2)CC1,XPSBNOFQRKUJMB-UHFFFAOYSA-N
rxn:4:194737:223970,Cc1ccc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCCCC4)cc3c2)cc1S(=O)(=O)N1CCC(C)CC1,RHAYVMIYVIEHRQ-UHFFFAOYSA-N
rxn:4:194768:223815,COC1CCN(C2CCCc3cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)ccc32)CC1,HWNLZHGHWZRAHV-UHFFFAOYSA-N
rxn:4:194768:225187,COC1CCN(C2CCCc3cc(-c4cc(Cl)ccc4CN4CCOCC4)ccc32)CC1,RULCIQWFTLMVRB-UHFFFAOYSA-N
rxn:4:197719:223493,CCc1nc2c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc(C)cc2c(=O)o1,DLHTUVQOWLJJOK-UHFFFAOYSA-N
rxn:4:197908:224017,O=C1Oc2cc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)ccc2CN1C1CCCC1,CMMTWXBNGNKAMX-UHFFFAOYSA-N
rxn:4:197908:224720,CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)OC(=O)N(C2CCCC2)C3)c(C2CC2)n1,UMZPACLQAJUEHP-UHFFFAOYSA-N
rxn:4:197963:224017,C[C@H]1CC[C@H](N2Cc3cc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)ccc3C2=O)CC1,PPXOWGCNHPIYKR-RUCARUNLSA-N
rxn:4:197988:224195,CCN1CCN(Cc2cc(-c3cccc4c3CCCC4N3CCC(C)CC3)ccc2Cl)CC1,VPBLNQPBISYMPB-UHFFFAOYSA-N
rxn:4:197989:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCCC4N3CCCCC3C)c(F)c2)CC1,CJXJKWGIRIKGHM-HOFMNPQRSA-N
rxn:4:197990:224656,COc1ccc(-c2ccc3c(c2)CCCC3N2CCCC(C)C2)c(F)c1OC1CCCC1,HVPPZRFZGLVUBE-UHFFFAOYSA-N
rxn:4:199557:224279,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2C#N)C1,DMCKKFFNTQESSC-UHFFFAOYSA-N
rxn:4:199624:222466,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,DQTKQTNTRSWMNJ-UHFFFAOYSA-N
rxn:4:199624:224322,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,CECPSODGQUGKAW-UHFFFAOYSA-N
rxn:4:199624:224393,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,RXSBJAQZTQTWBT-UHFFFAOYSA-N
rxn:4:199649:225829,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCC(C)CC2)nc1,QUDJREBGCHMVBA-UHFFFAOYSA-N
rxn:4:199650:223935,Cc1cc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,AJWMYOBKLFTMRX-UHFFFAOYSA-N
rxn:4:199691:225348,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc(C(F)(F)F)ccc1C(=O)OC,YOLCQLJJYGEIIK-UHFFFAOYSA-N
rxn:4:199691:226327,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(C2(C#N)CC2)cc1Cl,OHVSYRGRTYKRMY-UHFFFAOYSA-N
rxn:4:199707:223938,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)n2)C1,HKMMNCLMJGBMOS-UHFFFAOYSA-N
rxn:4:199711:223775,COc1ccc2c(c1)c(-c1ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn1)cn2C(=O)OC(C)(C)C,CBIOORIWAXNNMA-UHFFFAOYSA-N
rxn:4:199713:224819,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,OGEZVUQOMZPGBN-UHFFFAOYSA-N
rxn:4:199713:224820,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,OIKYZDSCLQROHN-UHFFFAOYSA-N
rxn:4:199714:223556,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cn2)CC1,DGGVBWPUMQDHCT-UHFFFAOYSA-N
rxn:4:199714:223683,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,MJYTZZKOPBPKLI-UHFFFAOYSA-N
rxn:4:199743:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RGKAYTQTFYAYFG-UHFFFAOYSA-N
rxn:4:199760:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3N3CCN(C(=O)OCC[Si](C)(C)C)CC3)c(F)cn2)CC1,AWDBVJARBJRUJY-UHFFFAOYSA-N
rxn:4:199769:225286,COc1cc(Cl)c(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QCFAYRCYDYCNNV-UHFFFAOYSA-N
rxn:4:199770:226003,COC(=O)c1ccc([N+](=O)[O-])cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1C(=O)OC,ZJEBHDZOOMZWNL-UHFFFAOYSA-N
rxn:4:199784:223227,COc1ccc(-c2ccc(C(C)NC3CC3)s2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,HZCALOQOTDPEMJ-UHFFFAOYSA-N
rxn:4:199787:223595,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1[N+](=O)[O-],UTAIMKGKFMKEIX-UHFFFAOYSA-N
rxn:4:199790:222426,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,NFWRQXOBCVBNCN-UHFFFAOYSA-N
rxn:4:199791:223526,COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UFGRDAPXBXHOPG-UHFFFAOYSA-N
rxn:4:199809:223884,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c1,NNBFBIPUDSCIIH-UHFFFAOYSA-N
rxn:4:199809:224062,Cc1ccc(C)c(COc2cccc(-c3cccc(N(C)C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1,CGLUVMZYJURPKX-UHFFFAOYSA-N
rxn:4:199812:225877,CC1CN(C(=O)Cc2ccc(F)cc2-c2ccc(Cl)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,CKHIQSHGRRRZNS-UHFFFAOYSA-N
rxn:4:199817:222846,CCCOc1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,IEIAVSMSJGIKJN-UHFFFAOYSA-N
rxn:4:199830:226021,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cc(Cl)ccc2OCC(F)(F)F)ccc1Cl,AABJKLZCPZDYGY-UHFFFAOYSA-N
rxn:4:199834:223787,CC1CN(CCc2ccc(F)c(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,LVYBAVBMPLXRDW-UHFFFAOYSA-N
rxn:4:199835:223941,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1,QJXYKVLRHPQHNX-UHFFFAOYSA-N
rxn:4:199839:228146,CCc1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2OC)c1OC,GLHVUXAFXZHNBM-QGZVFWFLSA-N
rxn:4:199842:227228,CC(C)COc1ccc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2C)cn1,BQHOORNOQDHTAN-UHFFFAOYSA-N
rxn:4:199846:224811,CCOc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,IUZWIZNSKFJGKN-UHFFFAOYSA-N
rxn:4:199860:223139,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(C2CCNCC2)nc1,KKFBSPSASCUIKU-UHFFFAOYSA-N
rxn:4:199860:223658,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,JGLIEYSOWHQBOR-UHFFFAOYSA-N
rxn:4:199863:223493,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,KPXJEHRHRXIQBE-UHFFFAOYSA-N
rxn:4:199870:222987,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C2CCNCC2)nc1C,QJGCBBRVQMBYRB-UHFFFAOYSA-N
rxn:4:199870:227514,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(Cl)nc(OC(C)C)c1,LFHJNQJJAVYARB-UHFFFAOYSA-N
rxn:4:199883:224276,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cn(C(=O)OC(C)(C)C)c5cccnc45)cc3)CC2)CC1,APRANYJAEQHWCG-UHFFFAOYSA-N
rxn:4:200026:222857,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cc(OC)cc(C5CCNCC5)c4)cc3)C(=O)N2C1c1ccc(OC)cc1,VPIDEGSWMURFSZ-UHFFFAOYSA-N
rxn:4:200232:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(Cl)cn1COCC[Si](C)(C)C,WOLFTZNOPPIBEX-UHFFFAOYSA-N
rxn:4:200309:223695,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,QOALCOVLZWVMJO-UHFFFAOYSA-N
rxn:4:200353:225832,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1c(C)nn(C2CCCCO2)c1C,XEJJCODRZRRMHW-UHFFFAOYSA-N
rxn:4:200368:224272,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)c(-c3cc4ccncc4n3C(=O)OC(C)(C)C)c2)C1,UWVXGDIDWHYHKS-UHFFFAOYSA-N
rxn:4:200371:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C#N)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,WSFYFFDXKJLTSX-UHFFFAOYSA-N
rxn:4:200371:224278,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)C1,WJGGANFRDBIKNL-UHFFFAOYSA-N
rxn:4:200384:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3CCC(=O)N3CC(N4C(=O)COC4=O)C3)cc2)CC1,GLRSICOCDHKRGU-UHFFFAOYSA-N
rxn:4:200398:223970,Cc1ccc(-c2ccccc2C(=O)N2CCN=C2SCc2ccccc2F)cc1S(=O)(=O)N1CCC(C)CC1,SHYKTQWEHSDSQG-UHFFFAOYSA-N
rxn:4:200427:224586,COCCN1CCN(C(=O)c2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)cc2)CC1,HJMPZMATMGTBQY-UHFFFAOYSA-N
rxn:4:200473:223578,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)n2)C1,GBZQQKUSKXRXJU-HSZRJFAPSA-N
rxn:4:200555:225939,CC(C)c1cc(-c2cccc(CC3CCN(C(=O)OC(C)(C)C)C3)n2)cnc1C(F)(F)F,XJFSIYARZCAWBF-UHFFFAOYSA-N
rxn:4:200557:224818,CCCCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,ORZYESAEPWPOOZ-UHFFFAOYSA-N
rxn:4:200559:223935,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)co2)CC1,XYIIMKSOIRYGQM-UHFFFAOYSA-N
rxn:4:200559:224269,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)co2)CC1,WYSSNDMDEUDJDA-UHFFFAOYSA-N
rxn:4:200559:224720,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)co2)CC1,OPSYLGKQAUVUDW-UHFFFAOYSA-N
rxn:4:200560:223773,COc1cccc2cc(-c3ccoc3CN3CCN(C(=O)OC(C)(C)C)CC3)n(C(=O)OC(C)(C)C)c12,MGDIKMUPNOWQFR-UHFFFAOYSA-N
rxn:4:200567:222538,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(C)c2)CC1,VRPXSUBNHHPOFU-UHFFFAOYSA-N
rxn:4:200575:224271,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)n2)C1,CKSRAWLZCRLYEI-UHFFFAOYSA-N
rxn:4:200600:226276,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(OC)c(CN(C)C)c1,YNBNCCTZWQHUQY-UHFFFAOYSA-N
rxn:4:200600:226544,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)OC)cc1OC,DPZKJHQFHLKVCT-UHFFFAOYSA-N
rxn:4:200602:226511,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(Cl)cnc3OCC3CC3)cn2)CC1,OVSPMJNKFUMUQJ-UHFFFAOYSA-N
rxn:4:200604:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(O[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)cc21,SMFRQMUMKAEVPH-XMMPIXPASA-N
rxn:4:200604:223934,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)c2)C1,FVTSFZKIURTHCD-OAQYLSRUSA-N
rxn:4:200604:225338,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccc(F)c(COCC(F)(F)F)c3)c2)C1,PAAYKAIOBSUTGW-LJQANCHMSA-N
rxn:4:200605:223504,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,IZSDCFSMLYPIHN-UHFFFAOYSA-N
rxn:4:200610:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,QUGBPALPBHYPRL-UHFFFAOYSA-N
rxn:4:200610:222947,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2F)CC1,DLKAATZXNZCLJX-UHFFFAOYSA-N
rxn:4:200643:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1,MSRACIWGXPSWBS-UHFFFAOYSA-N
rxn:4:200654:223933,CC(C)(C)OC(=O)N1CCCC(c2cc(C#N)cc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)C1,ICYZEEFLYFSJIE-UHFFFAOYSA-N
rxn:4:200695:223885,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,LKBDCZBATRMZIQ-UHFFFAOYSA-N
rxn:4:200698:222634,COC(=O)c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)ccc1CN1CCN(C(C)C)CC1,UUZYLSBIJYSNIW-UHFFFAOYSA-N
rxn:4:200698:222700,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)ccc1CN1CCN(C(C)C)CC1,FFNQFQKAJYEVST-UHFFFAOYSA-N
rxn:4:200700:223889,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)c2)CC1,WZDSLRHGFXDTCW-UHFFFAOYSA-N
rxn:4:200702:225233,CC1CCCN(c2cc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3Cl)cnc2Cl)C1,PWGCVEFNSMDVMP-UHFFFAOYSA-N
rxn:4:200705:223884,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2Cl)CC1,CZKPWJKVVUMETK-UHFFFAOYSA-N
rxn:4:200709:223536,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,XQGORGRUQCRGPO-UHFFFAOYSA-N
rxn:4:200720:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,PFUVDFZHDYCZQF-UHFFFAOYSA-N
rxn:4:200730:223886,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2C(F)(F)F)CC1,VQGQYUVVJQNHDY-UHFFFAOYSA-N
rxn:4:200734:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F,XEYMPOKLAYLHEP-UHFFFAOYSA-N
rxn:4:200744:223835,COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)C1,XIXXXOCMTRCGLZ-UHFFFAOYSA-N
rxn:4:200745:222948,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2cnc(N3CCC(O)CC3)nc2Cl)c1,HBFFBRKCBCROHK-UHFFFAOYSA-N
rxn:4:200774:223022,COCCNC(=O)c1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4cccc(OC)c4OC)C3)cc2)cc1,ZZKHRPZYGIQSLS-UHFFFAOYSA-N
rxn:4:200783:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,OWJHHGPRNBMOKS-UHFFFAOYSA-N
rxn:4:200791:223152,C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(NC(=O)N(C)C)cc3)c2)CCN1C(=O)OC(C)(C)C,ZBNQAFNWPLPMND-KRWDZBQOSA-N
rxn:4:200799:228895,O=C(CCc1ccccc1-c1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)COCC2=O)CC1,QOMHFYROGSHOOM-UHFFFAOYSA-N
rxn:4:200814:222791,Cc1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,IRMCETGQEZADTF-UHFFFAOYSA-N
rxn:4:200821:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,SFVQCAXYNSGWKN-UHFFFAOYSA-N
rxn:4:200823:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc21,YCLOCORQAUXYSX-UHFFFAOYSA-N
rxn:4:200823:228218,Cc1cc(-c2cc(C3CC3)ncc2F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FQHWCHLEOXOFJT-UHFFFAOYSA-N
rxn:4:200824:226716,Cc1ccc(-c2ccn(C(=O)OC(C)(C)C)n2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FNKYRLSKFNKNJR-UHFFFAOYSA-N
rxn:4:200825:223142,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCCNC2)nc1,ZRMOKSZNMLFIOF-UHFFFAOYSA-N
rxn:4:200826:222629,Cc1cc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,BPQMRUKWIKTFKJ-UHFFFAOYSA-N
rxn:4:200826:227751,Cc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,DQJOCVBHJPVKCR-UHFFFAOYSA-N
rxn:4:200826:228020,Cc1cc(-c2c(F)cccc2C2CC2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,KBUYBNWTNRUUND-UHFFFAOYSA-N
rxn:4:200828:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c(F)cc1F,CLGUEUDVCUHQSM-UHFFFAOYSA-N
rxn:4:200839:226714,COc1c(-c2ccnn2C(=O)OC(C)(C)C)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,VCRQRBMKJQLNFU-UHFFFAOYSA-N
rxn:4:200839:228218,COc1c(-c2cc(C3CC3)ncc2F)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,GXACYPXLYYRDCS-UHFFFAOYSA-N
rxn:4:200844:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)c3)c(Cl)c2)CC1,ZFUZSYJKFZJRGM-UHFFFAOYSA-N
rxn:4:200881:224404,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1)N1CCCN(C2CCSCC2)CC1,DRXBZDCNYZVJIG-UHFFFAOYSA-N
rxn:4:200887:223810,COc1ccccc1C1CC(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,GURRCCAMJPAIPO-UHFFFAOYSA-N
rxn:4:200891:222826,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2C)CC1,SXEBXJNOFCUVBD-UHFFFAOYSA-N
rxn:4:200891:224397,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)cc2C)CC1,YGNMTDQHBLWJDH-UHFFFAOYSA-N
rxn:4:200895:223121,O=C(NC1CC1)c1ccc(-c2ccc(C(=O)N3CCCCC3CCN3CCCCCC3)cc2)cc1,KDJCQJBBRCXNLN-UHFFFAOYSA-N
rxn:4:200897:224377,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,UGZKTWFOPWZPTD-UHFFFAOYSA-N
rxn:4:200897:225876,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(Cl)ccc1N1CCOCC1,WKWIOEFBZSQODZ-UHFFFAOYSA-N
rxn:4:200982:223894,CCSc1ccc(C(=O)N2CCc3cc(-c4cccc(OCCCN5CCN(C)CC5)c4)ccc32)cc1[N+](=O)[O-],VVTQUSFUGCHKBT-UHFFFAOYSA-N
rxn:4:201101:223166,CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)N2C(=O)C(C)SC2=N1,UFWFWLZUKGGSHN-UHFFFAOYSA-N
rxn:4:201104:222424,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5cccc(NS(=O)(=O)c6cccc7c(N(C)C)cccc67)c5)cc4)C(=S)N32)cc1OC,UWRJSTDCXYVFPD-UHFFFAOYSA-N
rxn:4:201109:223578,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc32)C1,ZZRPYGQAARPJLQ-UHFFFAOYSA-N
rxn:4:201109:225418,CCOc1ccc2cc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)C3)C(=O)CO4)ccc2c1,AUGCWDVMJIRHAP-UHFFFAOYSA-N
rxn:4:201151:224928,COC(=O)c1ccc2cc(-c3ccc4c(c3)CCN(CC3CCCN(C(=O)OC(C)(C)C)C3)C4)ccc2c1,IHQZADNLCBEUJN-UHFFFAOYSA-N
rxn:4:201644:223941,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)no2)C1,PIWFFJRIQMEYSG-UHFFFAOYSA-N
rxn:4:201677:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(N4CCCC(C(=O)CC#N)C4=O)c3F)ccn2)CC1,JYPWGGNBDQTWSX-UHFFFAOYSA-N
rxn:4:201732:222542,CCOC(=O)C1CCC(n2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cn2)CC1,BKGAWRKORQWZPC-UHFFFAOYSA-N
rxn:4:201817:223505,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,YZVFIPSWQLHMAV-UHFFFAOYSA-N
rxn:4:201837:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)s2)C1,AKPJFUCVXJSZCL-UHFFFAOYSA-N
rxn:4:201908:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1,RXUPUJHNAHKQDL-UHFFFAOYSA-N
rxn:4:201927:223931,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cs2)CC1,VMAGXRAJJVEDRY-UHFFFAOYSA-N
rxn:4:201947:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N3CCCC3)c(C(=O)OC(C)(C)C)c2)cc1C,HZVHQTWLOZLCBY-UHFFFAOYSA-N
rxn:4:201954:224827,COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2C(=O)OC)c(CN2CCN(C)CC2)c1,IXXKFQRAWSTKPA-UHFFFAOYSA-N
rxn:4:201958:226716,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)c(F)n2)C1,LBYLGUOELPFJEB-UHFFFAOYSA-N
rxn:4:201996:223581,COC(=O)c1cccc2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ccn3)n(C(=O)OC(C)(C)C)c12,ZZOCDAHFCZDYAL-UHFFFAOYSA-N
rxn:4:202001:223001,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cc(C3CCCNC3)ccc2F)c1,NTBIMHHNDAXJPV-UHFFFAOYSA-N
rxn:4:202001:225232,CC1CCN(c2cc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cnc2Cl)CC1,NYLIEOOKOVNEQN-UHFFFAOYSA-N
rxn:4:202022:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(C3COCCN3C(=O)OC(C)(C)C)nc2)C1,HJGWJWFDLHHELT-UHFFFAOYSA-N
rxn:4:202072:226511,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3OCC3CC3)c2)C(=O)C1,BWPTUCHYDFVFAQ-UHFFFAOYSA-N
rxn:4:202081:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCCC(Oc3ccncc3)C2)cc1,LZHBNIVBKDEGKK-UHFFFAOYSA-N
rxn:4:202088:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccnc3OC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c2)CC1,CLFVPTJZCRDDRD-UHFFFAOYSA-N
rxn:4:202095:223591,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,VNTHUAKANTZHFU-UHFFFAOYSA-N
rxn:4:202097:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,BHBUEWJCJWJVPP-UHFFFAOYSA-N
rxn:4:202101:223937,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cs1,PUBSOZXMDPCLOA-UHFFFAOYSA-N
rxn:4:202101:226714,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccnn2C(=O)OC(C)(C)C)cs1,ZMKPXGSZLHDYKG-UHFFFAOYSA-N
rxn:4:202106:222741,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)C1,DCKUTCUEJKMJDQ-UHFFFAOYSA-N
rxn:4:202106:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)CC1,MLQCLGFXHVPBES-UHFFFAOYSA-N
rxn:4:202106:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cc2)CC1,QOPHNLBZEYOSHX-UHFFFAOYSA-N
rxn:4:202106:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)ccc2C1,SLJNRTDIUDJXIM-UHFFFAOYSA-N
rxn:4:202107:223774,COc1cccc2c1cc(-c1ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,CBIDTVANCMCUGL-UHFFFAOYSA-N
rxn:4:202107:224158,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)ccn2)C1,VSHCUDHDBGJHOI-UHFFFAOYSA-N
rxn:4:202122:223022,COCCNC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2OC)cc1,FHHJFOKKWXNBHD-UHFFFAOYSA-N
rxn:4:202126:222812,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1,JIRYWSYGILQVDX-UHFFFAOYSA-N
rxn:4:202126:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc21,QFDLBOWCJBMZKB-UHFFFAOYSA-N
rxn:4:202127:224081,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccccc2CCO[Si](C)(C)C(C)(C)C)CC1,NRFOLJQBMAHJJO-UHFFFAOYSA-N
rxn:4:202133:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,ONFQJFSWMJXIAG-UHFFFAOYSA-N
rxn:4:202146:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3F)ccc2F)CC1,IODLHYPFSBSARM-UHFFFAOYSA-N
rxn:4:202153:228965,O=C(CN1C(=O)C(=Cc2cccc(-c3ccc([N+](=O)[O-])nc3)c2)SC1=S)N1CCCCC1,PNTCWANWEOWHMW-UHFFFAOYSA-N
rxn:4:202154:222430,COc1cc(C)c(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,VUVCRMAHQSFLTK-UHFFFAOYSA-N
rxn:4:202161:224931,CCN(CC)c1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2OC)cc(C2CC2)n1,DJAGXBUXINGBAO-UHFFFAOYSA-N
rxn:4:202161:224970,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(S[Si](C)(C)C(C)(C)C)cc1,AVGDAJCGLSTWQE-UHFFFAOYSA-N
rxn:4:202173:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)ccn2)CC1,PBFCCVMGLXOKPG-UHFFFAOYSA-N
rxn:4:202175:222418,NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc1,YFJPWJKUELNPSZ-UHFFFAOYSA-N
rxn:4:202205:223832,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4OC)cc3)CC2)cc1,SKRUMDAEOLVVSZ-UHFFFAOYSA-N
rxn:4:202211:224408,Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)nn4C(=O)OC(C)(C)C)cc3)CC2)n1,CLSAKLMXHZXQMZ-UHFFFAOYSA-N
rxn:4:202225:223941,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)n1,FVCXZQWHTVSSKU-UHFFFAOYSA-N
rxn:4:202225:224279,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)n1,LZPWCPAAHSPXQZ-UHFFFAOYSA-N
rxn:4:202234:223941,Cc1c(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,PWNAGGSNVRUJFV-UHFFFAOYSA-N
rxn:4:202236:223593,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,RMBOXXGYDHPXAX-UHFFFAOYSA-N
rxn:4:202237:224653,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(Cl)cc2OCC2CCCCO2)cn1,PANGWBCHQGQIQT-UHFFFAOYSA-N
rxn:4:202243:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)c4ccccc4CN4CCN(C)CC4)c3)cc2)CC1,HTHYYUHGQRHXDO-UHFFFAOYSA-N
rxn:4:202290:225210,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC(C)CC5)nc4C)cc3)CC2)C1,RFLSJTMSSGAHIE-UHFFFAOYSA-N
rxn:4:202301:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1,CIGKJJWZAHAORB-UHFFFAOYSA-N
rxn:4:202306:224874,CCN1CCN(Cc2cc(-c3cccc(COC4CCCCC4)c3)cc(C(C)(C)C)c2)CC1,HCNJYDAJFVPGKV-UHFFFAOYSA-N
rxn:4:202309:225926,CN(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1N1CCOCC1)C1CCOCC1,AIPHLHWDLLJRLP-UHFFFAOYSA-N
rxn:4:202310:225879,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2F)cc1)N1CCCSCC1CN1CCOCC1,OLVKAISQJWGYOT-UHFFFAOYSA-N
rxn:4:202318:223697,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)oc2N2CCOCC2)cc1,HJSHMFDSAMMGDW-UHFFFAOYSA-N
rxn:4:202318:223998,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)cc3)oc2N2CCOCC2)cc1,RORKDJOXMOVADN-UHFFFAOYSA-N
rxn:4:202320:222856,COc1ccc(C2CCNCC2)cc1-c1cc(F)cc(N2CCN(O[Si](C)(C)C(C)(C)C)CC2)c1,YEKDBYFDPRJJQM-UHFFFAOYSA-N
rxn:4:202328:227834,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)c(C)c3)CC2)CC1,NZNSNYRQEMHJNQ-UHFFFAOYSA-N
rxn:4:202331:225641,COc1ccc(-c2ccnc(N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,JHFMBAAODOJMOE-UHFFFAOYSA-N
rxn:4:202341:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCN(C(C)C)CC2)cc(C(C)(C)C)c1,JABQBADOZMOPLG-UHFFFAOYSA-N
rxn:4:202341:225499,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(C(C)(C)C)c2)CC1,WWVOFVZTTNBCBJ-UHFFFAOYSA-N
rxn:4:202341:226064,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,RNHXIUXKYMIDKX-UHFFFAOYSA-N
rxn:4:202341:226143,Cc1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc(C)c1OC(C)C,YPXDHDVSPDPPCI-UHFFFAOYSA-N
rxn:4:202412:224393,CCOC(=O)Cc1nc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)n2c1COCC2,GVCJDOZNDWXVJX-UHFFFAOYSA-N
rxn:4:202540:224818,CCOC(=O)c1cnc2c(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cccc2c1N1CCOCC1,OLHJBDNEULSLLE-UHFFFAOYSA-N
rxn:4:202592:225890,CC(C)(C)[Si](C)(C)OCc1nn2c(c1-c1cnn(COCC[Si](C)(C)C)c1)CCC2,CEWSAMXWGPTLKO-UHFFFAOYSA-N
rxn:4:202604:223423,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(-c2cccc(C=NO)c2)cc1,AHADJEZQCOKUBK-UHFFFAOYSA-N
rxn:4:202684:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2c(c1)CCN(C1CN(C(=O)OC(C)(C)C)C1)C2,IBALSSIHXDSAEP-UHFFFAOYSA-N
rxn:4:202697:223499,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,JETVRNCGULCWPU-UHFFFAOYSA-N
rxn:4:202697:226502,COc1ccc(N2C(=NC(=O)c3ccc(-c4ccn(C(=O)OC(C)(C)C)c4)cc3)SC3CS(=O)(=O)CC32)cc1,GEQDGIJXRHOMSH-UHFFFAOYSA-N
rxn:4:202712:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)CC1,KNDQUOQDXPDKMT-MHZLTWQESA-N
rxn:4:202712:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)cn2)CC1,IRIPJWCPYSTHRJ-DEOSSOPVSA-N
rxn:4:202712:228922,COc1ccnc(F)c1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,ZXUCWMGUCRMMJO-KRWDZBQOSA-N
rxn:4:202712:229168,COc1nc(C)sc1-c1ccc2c(c1)CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2=O,GLOULZQJWQTKOF-KRWDZBQOSA-N
rxn:4:202720:222630,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c2c1,XNQAMTLJWHLVTP-UHFFFAOYSA-N
rxn:4:202754:224180,CN1CCN(CCOc2ccccc2-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)CC1,FDBWXLHIOBCIHM-UHFFFAOYSA-N
rxn:4:202755:223904,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)ccc3OCC2=O)CC1,DDQVQFFFZJPJPI-UHFFFAOYSA-N
rxn:4:202882:223598,COC(=O)c1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnn1C(F)F,RLTKVYCSUUVSBP-UHFFFAOYSA-N
rxn:4:202883:223533,COC(=O)c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)nn1C(F)F,ULQKMCOWOAQXCG-UHFFFAOYSA-N
rxn:4:202976:223540,COC(=O)c1nc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cnc1OC,WRCVXEGGILRBDV-UHFFFAOYSA-N
rxn:4:203066:223491,Cn1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(OCC(C)(F)F)n1,MJBZKBZBVUQBJT-UHFFFAOYSA-N
rxn:4:203066:223527,Cn1cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(OCC(C)(F)F)n1,IZEBATLLPPYSEC-UHFFFAOYSA-N
rxn:4:203142:223696,CCn1nc(C)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1C(=O)OC,RVFLESCDPLNFAK-UHFFFAOYSA-N
rxn:4:203630:223784,CCCc1nc(N2CCOCC2)sc1-c1ccc(OCCN2CCN(CC)CC2)c(F)c1,XUHLFYQLMHFKOY-UHFFFAOYSA-N
rxn:4:203676:224375,COc1cc(N2CCOCC2)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-],HIVVNRPGTVVAMB-UHFFFAOYSA-N
rxn:4:203821:222740,CC(C)c1cc(-c2ccc(F)cc2CC(=O)N2CCN(C)CC2)cc(C2CCCNC2)n1,FAHZPZLXWHEWCQ-UHFFFAOYSA-N
rxn:4:203821:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(F)cc1CC(=O)N1CCN(C)CC1,GDGOPQSTHKRZPZ-UHFFFAOYSA-N
rxn:4:203833:225523,CCOC(=O)CCc1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1,MTPKPGZBDIIJDW-UHFFFAOYSA-N
rxn:4:203833:225999,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c([N+](=O)[O-])c1,BJWMTBMCOMACJS-UHFFFAOYSA-N
rxn:4:203833:226469,CN1C(=O)COc2ccc(-c3ccc(C(=O)N4CCC(N5C(=O)CSC5=O)CC4)o3)cc21,LREBZGBEAJPXEJ-UHFFFAOYSA-N
rxn:4:203833:227802,O=C(c1ccc(-c2c(F)c(F)c(F)c(F)c2F)o1)N1CCC(N2C(=O)CSC2=O)CC1,CAAARYRPKYDKPB-UHFFFAOYSA-N
rxn:4:203841:225873,O=C(c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1)N1CCC(N2C(=O)COC2=O)C1,IXGMSIQLKPTVGB-UHFFFAOYSA-N
rxn:4:203884:223810,Cc1cc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,PRTUUOZIWVELRX-UHFFFAOYSA-N
rxn:4:203895:224405,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,DQTYDIFLUPCZJE-UHFFFAOYSA-N
rxn:4:203920:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OC)cc2)CC1,LMXLLIBBGAUHEP-RQNOJGIXSA-N
rxn:4:203939:222621,CC(C)Cc1cc(-c2cccc(N3CCN(S(=O)(=O)C4CC4)CC3)c2)cc(C2CCCNC2)n1,BUZTYTBBOVVWMB-UHFFFAOYSA-N
rxn:4:203939:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cccc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)c2)CC1,ACDMKOJOGAKQCO-UHFFFAOYSA-N
rxn:4:203940:223699,O=S(=O)(c1ccc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)c(C(F)(F)F)c1)N1CCOCC1,QSDHJVYQQDVGPR-UHFFFAOYSA-N
rxn:4:203972:224406,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c(C)c2)CC1,ZRRCTRYHNIKMLO-UHFFFAOYSA-N
rxn:4:203972:225731,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)c(OC)c1,XLHQPASFFKKPFE-UHFFFAOYSA-N
rxn:4:203985:224767,O=C(c1ccccc1-c1cccc(C(=O)N2CCOCC2)c1F)N1CCC(N2C(=O)COC2=O)CC1,LGAFEIUZODAPBN-UHFFFAOYSA-N
rxn:4:203985:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,LURJEHFJXNQTQU-UHFFFAOYSA-N
rxn:4:203985:227065,CC(C)C(=O)c1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,FSNOJKSNYNMXGW-UHFFFAOYSA-N
rxn:4:203985:227655,CN(C)c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc(F)c1F,OGWBDJZTAGTLNP-UHFFFAOYSA-N
rxn:4:204014:223999,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)c2)CC1,KYOAXVFFFXTYII-UHFFFAOYSA-N
rxn:4:204046:225616,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1)N1CCCC1,VNKFEJVGPJZIBO-UHFFFAOYSA-N
rxn:4:204046:227027,N#CC1(c2ccccc2-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)CC1,AMCUDMFTAAKTOU-UHFFFAOYSA-N
rxn:4:204046:228098,CCN(C)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cn1,GAHDWBWNNKJPFD-UHFFFAOYSA-N
rxn:4:204054:225871,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)o1)N1CCCN(C2CCOC2)CC1,RYACMHNEYUPAQL-UHFFFAOYSA-N
rxn:4:204059:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CVJHAFXRDLAUTR-UHFFFAOYSA-N
rxn:4:204065:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3C)cc2)CC1,ZWHDXFSKOWVQNH-SOAUALDESA-N
rxn:4:204082:222420,NS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,ZXOOKSOZFIHKDW-UHFFFAOYSA-N
rxn:4:204082:226258,CCCOC(=O)c1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,OMHYXQYNOGEYRV-UHFFFAOYSA-N
rxn:4:204082:227936,O=C(c1cccc(-c2cccc(SC3CC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,AAIGVHJIHSYPLQ-UHFFFAOYSA-N
rxn:4:204082:228413,COc1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c(Cl)cc1F,FCCSFSVQZSCKGV-UHFFFAOYSA-N
rxn:4:204102:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C)c(S(=O)(=O)N4CCN(CC)CC4)c(C)c3)cc2C)CC1,SFHUZKUAMFEYSQ-UHFFFAOYSA-N
rxn:4:204102:224366,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cc2C)CC1,IWPGTGDPVBTNET-UHFFFAOYSA-N
rxn:4:204109:224584,CC1CCN(C(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)CC1,SQUJWEIKYUVSOP-UHFFFAOYSA-N
rxn:4:204109:224819,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,GHLKWGQHVBEQCD-UHFFFAOYSA-N
rxn:4:204109:228486,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)cc([N+](=O)[O-])c2)CC1,GBMCLDZANREEPK-UHFFFAOYSA-N
rxn:4:204109:228583,CC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccn1,TYGUXXFENXDYET-UHFFFAOYSA-N
rxn:4:204109:228813,CSc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1Cl,XOGVOLDORCXMEE-UHFFFAOYSA-N
rxn:4:204134:225326,CCOC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c([N+](=O)[O-])c1,AWEIOIIZFFKWAU-UHFFFAOYSA-N
rxn:4:204134:225985,O=S1(=O)CCCN1c1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,PXMFTFIVOVYFLJ-UHFFFAOYSA-N
rxn:4:204150:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,BRGOETPUEWVSGZ-UHFFFAOYSA-N
rxn:4:204166:225763,COC(=O)c1cc(-c2ccc(CN3CCCCC3C)c(N3CCOCC3)c2)c(C)cc1OC,ILHXENPQJNDDEZ-UHFFFAOYSA-N
rxn:4:204180:222848,CCc1cc(-c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(C)cc2C)cc(C2CCCNC2)n1,GADGWNVBTCZNBC-UHFFFAOYSA-N
rxn:4:204182:222986,Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc(C2CCCNC2)n1,KWBUXYKHSIQXEF-UHFFFAOYSA-N
rxn:4:204355:223498,CCOC(=O)c1nc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)n2c1COCC2,NCQPXFRRDOOTIK-UHFFFAOYSA-N
rxn:4:204405:223539,CCOC(=O)c1nc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c2n1CCCC2,BTHYBVSCBJCPPI-UHFFFAOYSA-N
rxn:4:204459:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc2ccn(C(=O)OC(C)(C)C)c2cn1,OTUCTDYYCXREBY-UHFFFAOYSA-N
rxn:4:204491:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1c(C(=O)OC(C)(C)C)nc2n1CCC2,IJBBBOBSYNQLKW-UHFFFAOYSA-N
rxn:4:204601:224714,CCCCOc1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1C(F)(F)F,COJGSERRUJPHFY-UHFFFAOYSA-N
rxn:4:204606:223774,COc1cccc2c1cc(-c1cc3c(nc1Cl)CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,VURGHYVAYNARPZ-UHFFFAOYSA-N
rxn:4:204680:223883,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)nc2CC1,ZNNYOTHVIKKVHV-UHFFFAOYSA-N
rxn:4:204694:225296,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)C1CC1,JELFPAMTMHTLQX-UHFFFAOYSA-N
rxn:4:204700:229088,CC(=O)c1csc(-c2ccc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)o2)c1,JTQSDIVRWGKANU-UHFFFAOYSA-N
rxn:4:204718:222465,O=S(=O)(c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1)N1CCCC1c1nc2ccccc2s1,RCZNGVHVHQCHGX-UHFFFAOYSA-N
rxn:4:204751:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)c1,GWLKBBKSPJJSLP-UHFFFAOYSA-N
rxn:4:204805:224754,O=C(C1=CN(c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,HOTMAJHICSYSQH-UHFFFAOYSA-N
rxn:4:205517:222439,CC(C)c1[nH]nc(C(F)(F)F)c1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F,YZQDXPUSVGIKPD-UHFFFAOYSA-N
rxn:4:205824:223581,COC(=O)c1cccc2cc(-c3cc([N+](=O)[O-])ccc3N3C(=O)C=CC3=O)n(C(=O)OC(C)(C)C)c12,JTQFVSWGRDFYLF-UHFFFAOYSA-N
rxn:4:205897:223606,O=C(c1csc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n1)N1CCOCC1,AIVRMEOCMVNJJP-UHFFFAOYSA-N
rxn:4:205897:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc(C(=O)N4CCOCC4)cs3)c2)CC1,XFGFXMGPXZIFOF-UHFFFAOYSA-N
rxn:4:206411:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4(C#N)CCOCC4)nc3)cc2F)CC1,QKSOYBRVHOFWAL-UHFFFAOYSA-N
rxn:4:206431:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)c2Cl)CC1,TZGOUSDSQGKVTO-UHFFFAOYSA-N
rxn:4:206636:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(N4CCCC(F)(F)C4)ccc3C#N)cc2)CC1,RFODTWPTEZFNKX-UHFFFAOYSA-N
rxn:4:206896:224408,CC(C)c1nc(N2CCCCC2)sc1-c1cc(C(F)(F)F)nn1C(=O)OC(C)(C)C,XWQLNOGWJZKGNP-UHFFFAOYSA-N
rxn:4:206943:224835,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,DLBAFRYAHXWFJJ-UHFFFAOYSA-N
rxn:4:206948:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)n1,SCVKBUNIBPTQNK-UHFFFAOYSA-N
rxn:4:207062:223520,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IETILMAFDBPSAU-UHFFFAOYSA-N
rxn:4:207081:224830,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c1)C2,PCSNITKBJDMMLI-UHFFFAOYSA-N
rxn:4:207279:223834,Cc1cc(-c2nc(C(F)(F)F)n3cc(C(F)(F)F)cc(Cl)c23)cc(C)c1S(=O)(=O)N1CCN(C)CC1,AZMJEBYTTIXAKZ-UHFFFAOYSA-N
rxn:4:207794:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)cc2)CC1,DNLFIILGSWAWBX-ALOJWSFFSA-N
rxn:4:207796:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4oc(=O)c(S(=O)(=O)N5CCN(C)CC5)cc4c3)c2)CC1,YNRJSDYMVBBFHH-UHFFFAOYSA-N
rxn:4:207843:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CCCC4N3CCN(CC)CC3)c2)CC1,RRJZHZJNQTZUIP-UHFFFAOYSA-N
rxn:4:207856:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)c2)CC1,GXCLECNARSRULY-UHFFFAOYSA-N
rxn:4:207890:224420,Cc1cc2c(cc1-c1cnn(CC34CC5CC(CC(C5)C3)C4)c1C)C(C)(C)CCC2(C)C,FPWGEQRGUCQICG-UHFFFAOYSA-N
rxn:4:207946:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(OC)c2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCCC1)O2,VOXRSKCGKKYZGP-UHFFFAOYSA-N
rxn:4:207946:223812,COc1cc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,GYPRFWSVDBUFMK-UHFFFAOYSA-N
rxn:4:207946:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCCC3)O4)c(F)c2)CC1,SVRFXIQUHKKZJW-XCRMRSMXSA-N
rxn:4:207946:224588,COc1cc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,OCAMFQXZHUMEAF-UHFFFAOYSA-N
rxn:4:207959:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C(C1CCCCC1)O2,GZWAPMQLQMLVOI-UHFFFAOYSA-N
rxn:4:207965:222776,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCC(O)CC5)cc4F)ccc2OC32CCC(C)CC2)cc1,ITIJORNTCFZSRR-UHFFFAOYSA-N
rxn:4:207965:225977,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cnc4N4CCOCC4)ccc2OC32CCC(C)CC2)cc1,WKNIFYZWLCCPOL-UHFFFAOYSA-N
rxn:4:209807:223492,Cc1cc(-c2cnn([C@@H]3CCCC[C@H]3C)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NPPRXBNQBGYAPS-AUSIDOKSSA-N
rxn:4:209812:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnn(C3CCS(=O)(=O)CC3)c2C)CC1,RYGSWODYYPKUEQ-UHFFFAOYSA-N
rxn:4:209893:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(N4CCN(C)CC4)ccc3C)c2)CC1,NBISSDGWZHYBCZ-UHFFFAOYSA-N
rxn:4:210406:223505,COc1c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2n1CCOC2,KDYBGRCSIRMDDS-UHFFFAOYSA-N
rxn:4:210406:223602,COc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc2n1CCOC2,VLDQQJWGRVGCET-UHFFFAOYSA-N
rxn:4:210681:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,YDDAHCDCHPGLKI-UHFFFAOYSA-N
rxn:4:211073:222850,N#CC1=C2CCCCN2c2cc(-c3cc(C4CCNCC4)ccc3C#N)ccc2S1(=O)=O,SHGDIJHLUMTELI-UHFFFAOYSA-N
rxn:4:211089:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O,NKNHBNDSXLSNEQ-UHFFFAOYSA-N
rxn:4:211098:222950,CONS(=O)(=O)c1cc(-c2ccc3c(c2)C2CC(c4ccc(F)cc4)=NN2C2(CCCC2)O3)ccc1OC,KXCGJPFYWUEBIW-UHFFFAOYSA-N
rxn:4:211098:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)ccc2F)CC1,DDEKPBPGORWXAY-UHFFFAOYSA-N
rxn:4:211098:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(c2)C2CC(c4ccc(F)cc4)=NN2C2(CCCC2)O3)CC1,PIFORBPJVBUZPD-UHFFFAOYSA-N
rxn:4:211101:224411,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N(C)C)cc4C(F)(F)F)ccc2OC32CCC(C)CC2)cc1,JHBFLWUQHDQUPO-UHFFFAOYSA-N
rxn:4:212482:223500,CN1C(=O)COc2c1cnc1cc(F)c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc21,FVQIXYPLVFAXCS-UHFFFAOYSA-N
rxn:4:212571:223938,Cn1cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,PQIXSUWNZWATSN-UHFFFAOYSA-N
rxn:4:212593:224974,CN1CCN(Cc2ccccc2-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,RCWORYFLAOVICW-UHFFFAOYSA-N
rxn:4:212593:226549,CCOc1c(Cl)cc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1OC,ANQRGOGJQYLZDV-UHFFFAOYSA-N
rxn:4:212605:223121,Cn1cc(-c2ccc(C(=O)NC3CC3)cc2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,YNTMVGAAVKYRMD-UHFFFAOYSA-N
rxn:4:212605:225294,CCN1CCN(c2ncc(-c3cn(C)nc3OCC3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1,OTZNVAASZQRFFL-UHFFFAOYSA-N
rxn:4:212606:223009,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cc(C4CCNCC4)c3)cn2)C1,ARJARNMFRZCCGA-UHFFFAOYSA-N
rxn:4:212607:224395,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)CC1,RCQQUMWSLJPFAH-UHFFFAOYSA-N
rxn:4:212608:224393,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,UGNDLKFPLMRYGV-UHFFFAOYSA-N
rxn:4:212636:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CCC2CCN(C(=O)OC(C)(C)C)CC2)c1,CHFJTKMLYQOTAN-UHFFFAOYSA-N
rxn:4:212636:223929,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,JHFNDEUGKYQQGL-UHFFFAOYSA-N
rxn:4:212650:222634,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YCOCMXRJRFNPGS-UHFFFAOYSA-N
rxn:4:212650:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c2)CC1,RRJKSUFNESAQIZ-UHFFFAOYSA-N
rxn:4:212652:223602,COC(=O)c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QXCPZQBYFKLZOG-UHFFFAOYSA-N
rxn:4:212658:228911,COC(=O)c1ncc(-c2ccc(OC)nc2F)cc1N1CCN(C(=O)OC(C)(C)C)CC1,YPIFUCNGDGNHCX-UHFFFAOYSA-N
rxn:4:212675:223939,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1[N+](=O)[O-],RGFZZHVKCBRVTN-UHFFFAOYSA-N
rxn:4:212680:225877,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(Cl)cc3N3CCOCC3)CC2)nn1,CXNQCJGYGCFCBI-UHFFFAOYSA-N
rxn:4:212692:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,DOESCKOPHAFNGX-UHFFFAOYSA-N
rxn:4:212693:223501,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,KZGIPFPFALQSKD-UHFFFAOYSA-N
rxn:4:212695:223061,Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2cc(C3CCNCC3)ncc2F)CC1,JZYSFLXZIFPLDI-UHFFFAOYSA-N
rxn:4:212696:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cnc2C1,GDVXNKHUHDGMSW-UHFFFAOYSA-N
rxn:4:212696:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cc21,OHVMVEHVTZXYLQ-UHFFFAOYSA-N
rxn:4:212696:224356,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)cc2sc(Cl)cc21,ZWSZXXBXVRCSSZ-UHFFFAOYSA-N
rxn:4:212723:222848,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(CC)nc(C6CCCNC6)c5)cc4)CC3)n2)cc1,FPXNRPJNKWUBRT-UHFFFAOYSA-N
rxn:4:212723:224727,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cc(OC(C)(C)C)nc(C(=O)OC)c5)cc4)CC3)n2)cc1,OEQWDIBFYIBGKT-UHFFFAOYSA-N
rxn:4:212731:224392,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5C)cc4)C3)n2)c1,LNUBGMGBRXAYEF-UHFFFAOYSA-N
rxn:4:212738:225662,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(F)c(-c4ccccc4)c3)cc2N2CCOCC2)CC1,QFVZOFIXQWOOES-UHFFFAOYSA-N
rxn:4:212745:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLYVZRHOVCYFGP-IVCFNLRISA-N
rxn:4:212747:223683,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1N1CCOCC1,GITPDHJLBVUMTF-UHFFFAOYSA-N
rxn:4:212768:227861,CCOC(=O)c1nc(-c2cnc3c(c2)CCCC3)n2c1CN(C(=O)OC(C)(C)C)CC2,RHYCCVGHNWUHRT-UHFFFAOYSA-N
rxn:4:212804:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccnc4c3ccn4CC3CCN(C(=O)OCc4ccccc4)CC3)ccc2F)CC1,QIPFZSIVODJVAP-UHFFFAOYSA-N
rxn:4:212804:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccnc3c2ccn3CC2CCN(C(=O)OCc3ccccc3)CC2)C1,XDDUTCXCLKUBIT-UHFFFAOYSA-N
rxn:4:212824:225984,COc1cc(C(=O)N2CCN(c3nc4ccc(-c5cnc(Cl)c(N6CCOCC6)c5)cc4s3)CC2)cc(OC)c1OC,UPUFQIGGOAYPBN-UHFFFAOYSA-N
rxn:4:212829:223529,CN(C(=O)c1cc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,HVFRKPVPLSYIEK-UHFFFAOYSA-N
rxn:4:212829:223761,CN(C(=O)c1cc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1,ASBQTEVAQPRIKF-UHFFFAOYSA-N
rxn:4:212892:222584,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1)C1CC1,CXJJIJWLHILZEG-UHFFFAOYSA-N
rxn:4:212905:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(OC4CN(C(=O)OC(C)(C)C)C4)n3)s2)CC1,ZPOYYHIPYDTUJQ-UHFFFAOYSA-N
rxn:4:212908:223944,CCOC(=O)N1CCCC(Oc2ncc(-c3c(C)c(Cl)cc4c3cnn4C3CCCCO3)cn2)C1,KMTUEEZANZSZDX-UHFFFAOYSA-N
rxn:4:212938:224196,CCC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)C1,SMJGXLYIKBTTAT-UHFFFAOYSA-N
rxn:4:212939:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,PDEFHZSHOFTDFH-UHFFFAOYSA-N
rxn:4:212964:225758,CC(C)(C)OC(=O)c1cnccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)C2)cn1,ZZNQUBMHKMSJKH-UHFFFAOYSA-N
rxn:4:212970:226714,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccnn1C(=O)OC(C)(C)C,MHAIRPMFXUBADK-UHFFFAOYSA-N
rxn:4:213011:225979,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,FPQBIZSIAHPXJQ-UHFFFAOYSA-N
rxn:4:213040:222787,Cc1nc(-c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,STBJVBWXYHBWPH-UHFFFAOYSA-N
rxn:4:213040:223534,Cc1nc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,UPEOMZBPKXAKAF-UHFFFAOYSA-N
rxn:4:213040:226486,COC(=O)COc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1,BGDCJRMBNYHNJK-UHFFFAOYSA-N
rxn:4:213048:223970,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cc1C,RQWMFFFIRDNRBU-UHFFFAOYSA-N
rxn:4:213070:223635,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,XHGFTIRLCSVWAD-UHFFFAOYSA-N
rxn:4:213080:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,JCFLLUQTWAMLHN-UHFFFAOYSA-N
rxn:4:213081:223989,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)cc2C#N)CC1,HGUIRTDDZNYVMQ-UHFFFAOYSA-N
rxn:4:213095:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C#N)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,JTRVZDRZDQBDTL-UHFFFAOYSA-N
rxn:4:213096:223602,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)ccc2C#N)CC1,SBGPIGCBRDFFKP-UHFFFAOYSA-N
rxn:4:213097:225975,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,BASNXWHVHZVHJA-UHFFFAOYSA-N
rxn:4:213100:223788,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c(C(F)(F)F)n2)CC1,WYHHVFRMJDFXFZ-UHFFFAOYSA-N
rxn:4:213100:224160,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c(C(F)(F)F)n2)CC1,SQXQSMFDWCYJSA-UHFFFAOYSA-N
rxn:4:213109:223696,O=S(=O)(c1ccccc1)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1,NFMYFEBGNYUXGB-UHFFFAOYSA-N
rxn:4:213110:223835,Cc1cc(F)c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,QGLSDVYCJSWHCO-UHFFFAOYSA-N
rxn:4:213128:223498,COc1nc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,ISGMVKIXVIWQGB-UHFFFAOYSA-N
rxn:4:213129:223294,COc1nc(-c2csc(N3CCNCC3)n2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,NAOXEAYLXGYGLK-UHFFFAOYSA-N
rxn:4:213129:223521,COc1nc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,IOFLACADCBAOEN-UHFFFAOYSA-N
rxn:4:213129:223775,COc1ccc2c(c1)c(-c1cn(C3CCN(C(=O)OC(C)(C)C)CC3)c(OC)n1)cn2C(=O)OC(C)(C)C,JRLJEHDMCAODGL-UHFFFAOYSA-N
rxn:4:213129:227613,COc1nc(-c2cnn(C3CCOCC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,YKBUKSZYEDIZFT-UHFFFAOYSA-N
rxn:4:213135:224718,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,JFSBTVPJDCSLJJ-UHFFFAOYSA-N
rxn:4:213135:224759,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,NHCASPOLHYPGDY-UHFFFAOYSA-N
rxn:4:213138:226715,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)cnc2F)CC1,JJFNYHUJQBWGCO-UHFFFAOYSA-N
rxn:4:213141:225361,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cn(C4CCCC4)nc3C(F)(F)F)c2)CC1,HNRLKNVDPMFRNS-UHFFFAOYSA-N
rxn:4:213143:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,KMLGTSRKDYXEHE-UHFFFAOYSA-N
rxn:4:213147:224962,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccccc3COC3CCOCC3)c2)CC1,PAUJNOAAMWQOLD-UHFFFAOYSA-N
rxn:4:213147:226413,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cccc(N4CCOCC4)c3)c2)CC1,KRPCEZFUYWRMFP-UHFFFAOYSA-N
rxn:4:213162:225344,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C(F)(F)F)cnc4OC(C)C)cn3)CC2)cc1F,OYHDSQMDSOTXNA-UHFFFAOYSA-N
rxn:4:213168:223572,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)c5ccccc45)cc3)nn2)CC1,AXLBUMJVOBFNKT-UHFFFAOYSA-N
rxn:4:213176:222546,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)c2)CC1,DSBRADZMBUZHCL-UHFFFAOYSA-N
rxn:4:213184:225898,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3cnn(CCN4CCOCC4)c3)CC2)nc1,NPZMQWJUIRRUTP-UHFFFAOYSA-N
rxn:4:213191:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,VTAKWFGAGNMXCK-UHFFFAOYSA-N
rxn:4:213205:222846,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)C2)nc1,WFEQDABMMKRECK-UHFFFAOYSA-N
rxn:4:213215:227279,CC(C)n1nc(C2CC2)cc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,ZMDOWURBEOYVGW-UHFFFAOYSA-N
rxn:4:213223:223491,COc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,PNPSFFTYHFSUIE-UHFFFAOYSA-N
rxn:4:213236:223508,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)cc1C,BIJUTVSNYRMFLW-UHFFFAOYSA-N
rxn:4:213236:224156,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cn3)C2)cc1C,UVVVXYIKYHQKGB-UHFFFAOYSA-N
rxn:4:213285:224652,COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cc3)C2)c1,SPIUUWRKKPUIAV-UHFFFAOYSA-N
rxn:4:213320:222802,COC(=O)c1nc(-c2ccc(C)cc2S(=O)(=O)NC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2,FOSDFJRAQKKIPT-UHFFFAOYSA-N
rxn:4:213354:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2F)CC1,RAPNBJLLDMQCHJ-UHFFFAOYSA-N
rxn:4:213354:224278,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)cn1)C2,MDSZJYZZPPFKGX-UHFFFAOYSA-N
rxn:4:213354:225294,CCN1CCN(c2ncc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cn2)CC1,GKFAGSPQLKEZQR-UHFFFAOYSA-N
rxn:4:213421:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)cc2)CC1,GREJEQMNHKNYMS-XQESHEEFSA-N
rxn:4:213428:222948,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc3c2)[nH]1,ARLRODFDIUDZES-SANMLTNESA-N
rxn:4:213428:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cn2)CC1,BCFMVJSQDOCTGE-PMERELPUSA-N
rxn:4:213428:225899,Cc1cc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc3c2)n(C(=O)OC(C)(C)C)n1,FXJRZJHBCAHHJO-VWLOTQADSA-N
rxn:4:213474:223975,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)ccc2-3)[nH]1,TZJNWVMSMWVVMD-PMERELPUSA-N
rxn:4:213476:229099,Cc1ccnc(F)c1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,RFYQIBNIHARBJE-GLNVDRDLSA-N
rxn:4:213498:223606,COCn1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)nc1C(=O)OC,IROUUBYLFMRKJX-UHFFFAOYSA-N
rxn:4:213672:223534,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)CC1,DHMNUSKQZMRVLG-UHFFFAOYSA-N
rxn:4:213767:223937,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)o2)CC1,QAIYPDXXZVFXIT-UHFFFAOYSA-N
rxn:4:213767:224160,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)o2)CC1,DFNKYMJKBBATBB-UHFFFAOYSA-N
rxn:4:213769:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(C2CCCN2C(=O)OC(C)(C)C)nc1,HFXZFQDSAFMZPU-UHFFFAOYSA-N
rxn:4:213798:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2)CC1,DKWHQGMUMGZIHE-UHFFFAOYSA-N
rxn:4:213799:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)ccc2F)CC1,YDBQLCCBQAGANY-UHFFFAOYSA-N
rxn:4:213799:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)cc(F)c2F)CC1,RXZXSWXBLLOYQH-UHFFFAOYSA-N
rxn:4:213800:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(C3COCCN3C(=O)OC(C)(C)C)ncn2)CC1,PGXKSIXPPNOTHA-UHFFFAOYSA-N
rxn:4:213801:223773,COc1cccc2cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)n(C(=O)OC(C)(C)C)c12,TWLRFUAXASCSHP-UHFFFAOYSA-N
rxn:4:213801:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)cn2)CC1,XZDGTDUUCOESDT-UHFFFAOYSA-N
rxn:4:213801:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cncc(C2CN(C(=O)OC(C)(C)C)CCO2)n1,WDZLHBCBNRRFQF-UHFFFAOYSA-N
rxn:4:213828:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCC(c5nnc(C(F)(F)F)o5)CC4)cc3)cc2C)CC1,VCXRZDUVZZVDBW-UHFFFAOYSA-N
rxn:4:213832:222584,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,YADXOGGDVLBERI-UHFFFAOYSA-N
rxn:4:213834:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)C1,UYZMNTFNRYPUGY-UHFFFAOYSA-N
rxn:4:213837:224761,CC(C)(C)OC(=O)N1CCCC(n2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)n2)C1,UVFSTKWSASMZOF-UHFFFAOYSA-N
rxn:4:213839:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1,CKTTXZCHZXSANZ-UHFFFAOYSA-N
rxn:4:213839:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1,KGIKPIWQDLIAGY-UHFFFAOYSA-N
rxn:4:213865:224811,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1,APEZRNFQMORVOM-UHFFFAOYSA-N
rxn:4:213875:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,CJBYHNPPBXTYLU-UHFFFAOYSA-N
rxn:4:213876:223940,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)nc2)CC1,ICJXBLDNAHTUAZ-UHFFFAOYSA-N
rxn:4:213879:225102,CCN(CC)C(=O)c1cc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,XSNKNTLJXNIAKR-UHFFFAOYSA-N
rxn:4:213881:223536,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,QFHMVINFRXXNOJ-UHFFFAOYSA-N
rxn:4:213884:222721,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)n2)CC1,SLURAUOIUUKMEH-UHFFFAOYSA-N
rxn:4:213884:223502,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2)CC1,UHWPJUIMGJHSJM-UHFFFAOYSA-N
rxn:4:213884:224162,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)CC1,CYDOCBTYWPEHGM-UHFFFAOYSA-N
rxn:4:213887:225617,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OC4CCCCO4)cc3)nc2)CC1,PAURDOWXJGOJGW-UHFFFAOYSA-N
rxn:4:213888:224278,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)n2)C1,OSMTURHGRYRDCU-UHFFFAOYSA-N
rxn:4:213897:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,DDTDREFSGHRYGV-UHFFFAOYSA-N
rxn:4:213898:224400,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,KMSDTHQJKLSMJW-UHFFFAOYSA-N
rxn:4:213900:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1,BUVGWALFFPMREG-UHFFFAOYSA-N
rxn:4:213906:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5cccn5)CC4)cc3)cc2)CC1,BNVBFMLPUYMVRU-UHFFFAOYSA-N
rxn:4:213920:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc([N+](=O)[O-])c3N3CCN(Cc4ccccc4)CC3)cn2)CC1,SRDNVVVHRXESPX-UHFFFAOYSA-N
rxn:4:213930:222546,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cc1F,AWKAREXZLRNXQP-UHFFFAOYSA-N
rxn:4:213931:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,JRHRNRCGZUUNRE-UHFFFAOYSA-N
rxn:4:213932:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)CC1,YTEFBMJMRPMRHJ-UHFFFAOYSA-N
rxn:4:213941:225849,Cc1c(-c2cnc(N3CCCCC3)cc2F)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,ZJSBTYOXBKZXOH-UHFFFAOYSA-N
rxn:4:213942:222947,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N2CCCC(O)C2)nc1Cl,WLPWBVMDTIYVBG-UHFFFAOYSA-N
rxn:4:213943:223932,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,ZHQJIBMRVCFZMX-UHFFFAOYSA-N
rxn:4:213943:225665,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2ccc(Cl)cc2N2CCCCC2)CC1,VQXVEVDDDWYNFF-UHFFFAOYSA-N
rxn:4:213944:223531,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)[nH]1,MEOHRVCQPLEUHN-UHFFFAOYSA-N
rxn:4:213968:222702,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cn3)C2)c1,QEQDZKKPLLDKIM-UHFFFAOYSA-N
rxn:4:213968:223810,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)cn3)C2)c1,MOPFIWXUUDIABN-UHFFFAOYSA-N
rxn:4:213969:223956,O=C(c1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,JLFSYKGYPRELTC-UHFFFAOYSA-N
rxn:4:213973:225313,CN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,MNPLLGIJERQTRM-UHFFFAOYSA-N
rxn:4:213974:226652,Cc1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)n(C2CCCCO2)n1,RZRUEZUGYHNEFA-UHFFFAOYSA-N
rxn:4:213975:223652,COc1ccc(Cl)c2cc(-c3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)n(C(=O)OC(C)(C)C)c12,ICBRAEQWLQEYCT-UHFFFAOYSA-N
rxn:4:213985:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,NCUKSUYPEOSHBT-UHFFFAOYSA-N
rxn:4:213986:225828,Cc1cc(-c2cnc(N3CCCCCC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FCXPNKIXUOAPNW-UHFFFAOYSA-N
rxn:4:213987:222929,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(Cl)c(N2CCC(O)CC2)c1,IFZUBMKFWFCUEC-UHFFFAOYSA-N
rxn:4:213987:224157,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cn(C(=O)OC(C)(C)C)c2ccccc12,IVDVODUKQUWJLH-UHFFFAOYSA-N
rxn:4:213990:223649,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,KIYGTUMGPRCRPD-UHFFFAOYSA-N
rxn:4:213996:223659,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,GYGCGMWMFOAAED-UHFFFAOYSA-N
rxn:4:213996:224276,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cn(C(=O)OC(C)(C)C)c2cccnc12,MBBLMWFJIGIYIT-UHFFFAOYSA-N
rxn:4:214000:223669,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1F,CXXGNFZGZVLUOI-UHFFFAOYSA-N
rxn:4:214005:225998,COC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc([N+](=O)[O-])c1,GZCIWUWCSMGBFC-UHFFFAOYSA-N
rxn:4:214005:226758,COc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1C(F)(F)F,YNMNPFNBLRLCDL-UHFFFAOYSA-N
rxn:4:214005:228971,O=C(c1cccc(-c2csc(C(F)(F)F)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,UUWQNLDAFXWMGX-UHFFFAOYSA-N
rxn:4:214010:222538,Cc1nn(C(=O)c2ccccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(C)c1S(=O)(=O)N1CCOCC1,FORZIPRCTXQQNE-UHFFFAOYSA-N
rxn:4:214010:223834,Cc1cc(-c2ccccc2C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc(C)c1S(=O)(=O)N1CCN(C)CC1,PWWYUYYFTZPPQB-UHFFFAOYSA-N
rxn:4:214017:222812,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4cnc(Cl)c(NC(=O)OC(C)(C)C)c4)cc3)CC2)n1,RKQKMCMWAZKMRP-UHFFFAOYSA-N
rxn:4:214027:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1C,FQWHZQALDOKFHP-UHFFFAOYSA-N
rxn:4:214035:222546,O=C(c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,FHIJGEKCCPJRDK-UHFFFAOYSA-N
rxn:4:214048:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1C,OQIOWXNJKZUCMO-UHFFFAOYSA-N
rxn:4:214048:226321,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc(SC2CCCC2)nc1,FIOLLMWCPGKSRQ-UHFFFAOYSA-N
rxn:4:214054:225616,O=C(c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1)N1CCCC1,XHYIMMWEQODCEA-UHFFFAOYSA-N
rxn:4:214054:227237,CCOC(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,XSEXHROQNGRLEM-UHFFFAOYSA-N
rxn:4:214054:228560,CCSc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,ZYNUJIXJQQMXFL-UHFFFAOYSA-N
rxn:4:214058:224151,COC1CCN(C2CCN(C(=O)c3cncc(-c4cc(C)c(OCc5ccccc5)c(Cl)c4)c3)CC2)CC1,XAEPMBKSFLGUNF-UHFFFAOYSA-N
rxn:4:214062:226354,CCN1CCN(Cc2ccc(-c3cc(OC)cc(C4CC4)c3Cl)cc2N2CCOCC2)CC1,XRKSRKSPSGGGAF-UHFFFAOYSA-N
rxn:4:214062:226356,CCN1CCN(Cc2ccc(-c3cc(OC)c(C4CC4)cc3Cl)cc2N2CCOCC2)CC1,PBHCURQJXLSQTJ-UHFFFAOYSA-N
rxn:4:214063:225898,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1,DLTZSYIYTOBMAB-UHFFFAOYSA-N
rxn:4:214067:224198,CCN1CCN(Cc2ccc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccc(C)cc6)CC5)n4)cc3)c(F)c2)CC1,DDCXCCQJCIZXFF-UHFFFAOYSA-N
rxn:4:214074:225671,Cc1nn(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)ncc3F)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,YILSAEWMNAULMA-UHFFFAOYSA-N
rxn:4:214135:224757,CCN(CC)S(=O)(=O)c1c(-c2cc(Cl)cc(C(=O)N3CCOCC3)c2)nc2n1CCOC2,DGCGKVZPXPPFNC-UHFFFAOYSA-N
rxn:4:214135:224824,CCN(CC)S(=O)(=O)c1c(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)nc2n1CCOC2,UEWPMOCYXYBGKZ-UHFFFAOYSA-N
rxn:4:214135:225805,CCN(CC)S(=O)(=O)c1c(-c2ccc(C(C)N3CCOCC3)s2)nc2n1CCOC2,CHKNOVHWOXOLHP-UHFFFAOYSA-N
rxn:4:214145:227668,COc1c(F)cc(-c2nc(C(F)(F)F)n3c2CN(C(=O)OC(C)(C)C)CC3)c(C)c1F,OMVLNNWNNKLWAT-UHFFFAOYSA-N
rxn:4:214146:227494,CCC(C)c1nc(Cl)ncc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,XPMWIKGEQIVVAF-UHFFFAOYSA-N
rxn:4:214146:227792,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccnc(C(F)(F)F)c2F)C1,ACSYYTOSSMKLPS-UHFFFAOYSA-N
rxn:4:214147:227776,CC(C)(C)OC(=O)N1CCn2c(-c3cc(C(F)(F)F)cnc3Cl)nc(C(F)(F)F)c2C1,HQOUMEJBIGQVQQ-UHFFFAOYSA-N
rxn:4:214201:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2Cl)CC1,OGOIKOPHDOFJQE-UHFFFAOYSA-N
rxn:4:214231:224268,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cccc3n2)C1,YIJOUFWNHHGDMD-UHFFFAOYSA-N
rxn:4:214231:225883,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(C5CCOCC5)c(Cl)c4)cccc3n2)C1,BBPNAVICFDYOQR-UHFFFAOYSA-N
rxn:4:214231:225984,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(N5CCOCC5)c4)cccc3n2)C1,GTVIEQUBCUHPTL-UHFFFAOYSA-N
rxn:4:214274:223668,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(OCc5ccccc5)cc4OC(F)(F)F)cccc32)CC1,OVVSVMDFKWOMBI-UHFFFAOYSA-N
rxn:4:214275:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,ALGUPLDDYBWLON-UHFFFAOYSA-N
rxn:4:214275:226715,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4cnn(C(=O)OC(C)(C)C)c4)cc23)CC1,GKNCCWNNEXKHJE-UHFFFAOYSA-N
rxn:4:214292:225631,CN1CCN(c2ccc(-c3ccc4[nH]c([C@@H]5[C@H]6CC[C@H](C6)N5C(=O)OC(C)(C)C)nc4c3)cc2)CC1,BLNQSOWDNLAGRK-SYVJQLTCSA-N
rxn:4:214304:226841,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1C(F)(F)F,AAIKEXNOJKECOO-UHFFFAOYSA-N
rxn:4:214304:228739,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(C)cn1,YPBDLJKLRMUNJA-UHFFFAOYSA-N
rxn:4:214320:223941,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cc32)CC1,GYLQQKCQMAKKKX-UHFFFAOYSA-N
rxn:4:214328:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)c2)CC1,JMBPLSZYBLHYOV-UHFFFAOYSA-N
rxn:4:214328:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN3CCC(Cn4cnc5ccccc5c4=O)CC3)cc2)c(Cl)c1,RWNHSESDUGFDII-UHFFFAOYSA-N
rxn:4:214350:223939,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)CC3)c2cc1C,LZAFLROBSPJGLZ-UHFFFAOYSA-N
rxn:4:214390:227819,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(CC)cc(CC)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,VBCXUDJFFQAYBT-UHFFFAOYSA-N
rxn:4:214584:223976,Cc1cc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc([N+](=O)[O-])c1N=CN(C)C,ARNFZMWQRXYYBL-UHFFFAOYSA-N
rxn:4:214680:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCC(C(F)(F)F)C2)n1,YLJIUEKLJHLIHG-UHFFFAOYSA-N
rxn:4:214707:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnn(C2CCN(S(=O)(=O)C3CC3)CC2)c1,WNHBNEHKDMPRMF-UHFFFAOYSA-N
rxn:4:214710:224018,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)c2)CC1,MHZHRGCSXSVKNO-UHFFFAOYSA-N
rxn:4:214714:222701,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(C2CCCNC2)cc(C(F)(F)F)c1,YTWBPZCPFUWKPE-UHFFFAOYSA-N
rxn:4:214734:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1,JBGUUILXXWPFDA-UHFFFAOYSA-N
rxn:4:214746:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(N(C)C)CC2)c(C#N)c1,ROAOFAJXXUOSSO-UHFFFAOYSA-N
rxn:4:214746:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCC(N(C)C)CC2)c(C#N)c1,BCKJSCYLOQWYGX-UHFFFAOYSA-N
rxn:4:214765:225035,CN(C)C1CCN(c2cccc(-c3cc(F)ccc3OC3CCCCC3)c2[N+](=O)[O-])CC1,ICBLSPNGCUZYLK-UHFFFAOYSA-N
rxn:4:214766:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCC(N(C)C)CC4)c([N+](=O)[O-])c3)c(F)c2)CC1,LWJACNMVBZFBBN-MEMLXQNLSA-N
rxn:4:214802:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCC2)C1,TWYSIMXUVIHSBA-UHFFFAOYSA-N
rxn:4:214819:222584,O=C(C1CN(c2ncc(Cl)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCCC1,SKFQRAQSJVMGRA-UHFFFAOYSA-N
rxn:4:214835:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c2)CC1,IGPSXNGHNOBFLR-UHFFFAOYSA-N
rxn:4:214835:227212,CCCCOc1ncccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,TUHMJKHESUAMDV-UHFFFAOYSA-N
rxn:4:214836:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,NEWMIKMKNYJDGY-UHFFFAOYSA-N
rxn:4:214836:228296,CCOC(=O)c1occc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,FDAMIWFQDFIOBS-UHFFFAOYSA-N
rxn:4:214853:223497,CC(c1ccc(-c2cccc(N3CCN(C4CCCC4)CC3)c2C#N)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,ZKRYCYAREOEKOE-UHFFFAOYSA-N
rxn:4:214871:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,GDHMLUUZDHNXHL-UHFFFAOYSA-N
rxn:4:214871:225831,Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cnc1N1CCOCC1,JWLOXJNFPGDZPK-UHFFFAOYSA-N
rxn:4:214871:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,RCBBCGPVQJPVQU-UHFFFAOYSA-N
rxn:4:214872:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,QIULAJSLFJYFJP-UHFFFAOYSA-N
rxn:4:214880:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C)c3)c2)CC1,BAVGTHKHOLTHJN-UHFFFAOYSA-N
rxn:4:214880:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1C,DMLMLCBLPVCSEG-UHFFFAOYSA-N
rxn:4:214894:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)cc2)CC1,VVVRCRFKDMBVGP-UHFFFAOYSA-N
rxn:4:214894:225378,CN1CCN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N(C)C)cc2N2CCOCC2)CC1,DRIVKUOIQBOTDQ-UHFFFAOYSA-N
rxn:4:215016:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)ccc2F)CC1,FRCFJICVDQHMSV-UHFFFAOYSA-N
rxn:4:215027:223761,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c21,PHXIBMIBCPUOSU-UHFFFAOYSA-N
rxn:4:215058:222729,CCCc1cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)C3)cc(C2CCCNC2)n1,HROMOOXMMUIJEJ-UHFFFAOYSA-N
rxn:4:215059:224396,Cc1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ccc1S(=O)(=O)N1CCOCC1,AJQPIMZQJUALCU-UHFFFAOYSA-N
rxn:4:215065:223904,CC(C)(C)OC(=O)N1CCn2nc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2C1,NPIOJYWJGGLFBI-UHFFFAOYSA-N
rxn:4:215096:223594,CC1c2cnc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2CCN1C(=O)OC(C)(C)C,NPTCFFOZHNKQMV-UHFFFAOYSA-N
rxn:4:215100:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)c2Cl)CC1,HMCQQRFXPCZEQY-UHFFFAOYSA-N
rxn:4:215106:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1c(C)nn2c1CN(C(=O)OC(C)(C)C)CC2,CGMKGKRKILYZEP-UHFFFAOYSA-N
rxn:4:215110:224017,Cc1nc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c2n1CCN(C(=O)OC(C)(C)C)C2,JOUVPWLCLDVWPH-UHFFFAOYSA-N
rxn:4:215149:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4ccn(CCN5CCN(C)CC5)c4c3)cc2)CC1,CJIHATCEFNJNQK-MCZWQBSQSA-N
rxn:4:215201:227698,COc1ncc(Cl)c(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,CTEUOKGUPCOYGW-UHFFFAOYSA-N
rxn:4:215214:228340,COc1nc(C2CC2)sc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,RVDBSDFMMQLONT-UHFFFAOYSA-N
rxn:4:215219:224672,CCN1CCN(c2ccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c(Cl)c2)CC1,BVLYCRYFQKJERC-UHFFFAOYSA-N
rxn:4:215228:225775,COC(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)C5CCCCC5)CC4)sc3c2)cc(OC)c1C,YEBHIFCHTGBYDU-UHFFFAOYSA-N
rxn:4:215274:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc4c5c([nH]c34)CCN(C(=O)c3cc4c(OC)cccc4[nH]3)C5)c2)CC1,DCFQUHYOIGEYNF-UHFFFAOYSA-N
rxn:4:215772:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,DOEIARURWJGWGC-UHFFFAOYSA-N
rxn:4:215847:224017,CC(=O)N1CCC(c2cnc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)CC1,BEMSYYIVGQVHHV-UHFFFAOYSA-N
rxn:4:215900:222623,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(C2CCNCC2)n1,GCIBTFXZZJIEDU-UHFFFAOYSA-N
rxn:4:215905:223993,Cc1cc(-c2c(C)nc(N3CCOCC3)c(C#N)c2C)ccc1S(=O)(=O)N1CCN(C)CC1,QWBSGBLGVROCCQ-UHFFFAOYSA-N
rxn:4:215931:223659,CC(C)N1CCC(n2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SUNDUMDXMATVAX-UHFFFAOYSA-N
rxn:4:215956:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2)CC1,PLQIRQRRAAFIMC-RQNOJGIXSA-N
rxn:4:215957:223834,Cc1cc(-c2cccnc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,VHVXYLNPQOTZQV-UHFFFAOYSA-N
rxn:4:215965:222719,CC1CCN(c2cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)nc(C3CC3)n2)CC1,MRHRHPJUIXRRRC-UHFFFAOYSA-N
rxn:4:215967:223608,CC(C)(C)c1cc(N2CCOCC2)nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)n1,RFXWRPVEYZOFBM-UHFFFAOYSA-N
rxn:4:215970:225269,COC(=O)c1ccc(-c2cnc(SC)nc2N2CCC3(CC2)OCCO3)c(C(=O)OC)c1,QDFHDHCEZJIONT-UHFFFAOYSA-N
rxn:4:216089:223588,COC(=O)C1CCn2c(nnc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)C1,LPNSRYVSBZUZSG-UHFFFAOYSA-N
rxn:4:216159:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3nc4c(c(C#N)c3C#N)CCCCCC4)ccc2C1,GNBFUUGDZYUVFD-UHFFFAOYSA-N
rxn:4:216204:222465,COc1ccc2c(n1)c(-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)nn2C1CCCCO1,JIOQUZCRBYIDDG-UHFFFAOYSA-N
rxn:4:216252:225750,CCN(CC)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc(F)c1F,XPGYWCPXRVCNSB-UHFFFAOYSA-N
rxn:4:216252:225772,COc1c(Cl)cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1OC(C)C,UJACGTHGOUMFOS-UHFFFAOYSA-N
rxn:4:216426:223482,Cn1cc([N+](=O)[O-])c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,DUESNWLELBRZCX-UHFFFAOYSA-N
rxn:4:216593:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C2CCC2)n1,RCGOBTGUMBEKFS-UHFFFAOYSA-N
rxn:4:217073:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCOCC4)n3)cc2)CC1,SERWUFBJCQWGBW-UHFFFAOYSA-N
rxn:4:217092:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ncn(C4CCCCC4)n3)cc21,MNWMHMAIOWKHJL-UHFFFAOYSA-N
rxn:4:217131:223696,O=S(=O)(c1ccc(-c2cnc(N3CCC(F)CC3)nc2)cc1)N1CCC2(CC1)OCCO2,IRSOCIPUXIKYLE-UHFFFAOYSA-N
rxn:4:217149:223697,C=C1CCCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cn2)C1,UZGZREOWKDRHOS-UHFFFAOYSA-N
rxn:4:217175:223489,CC1CCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)n2)CC1,UMDDNPYMAYBOBS-UHFFFAOYSA-N
rxn:4:217207:222466,Cc1cc(N2CCCCC2C)nc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,XHCKMVLVJHQUKH-UHFFFAOYSA-N
rxn:4:217207:223810,Cc1cc(N2CCCCC2C)nc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)n1,GWRJDVNRSVQZSX-UHFFFAOYSA-N
rxn:4:217860:224015,Cc1cc(F)c(-c2cc3n(n2)CC(=O)N(C(C)C)CC3)cc1S(=O)(=O)N1CCOCC1,WDLCMJNNWMIZHK-UHFFFAOYSA-N
rxn:4:217898:223659,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1)CCCC3,WDMDNLAKKFMUST-UHFFFAOYSA-N
rxn:4:217898:223660,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1)CCCC3,SQNWEGKYACTQLQ-UHFFFAOYSA-N
rxn:4:218600:225830,Cc1nc(N2CCCCC2)ncc1-c1cnn(CCN2CCN(C(=O)OC(C)(C)C)CC2)c1,MRICPJFIRXVQNR-UHFFFAOYSA-N
rxn:4:218620:224759,O=C(c1cc(F)cc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)c1)N1CCOCC1,AZJMNYBTSJFKSQ-UHFFFAOYSA-N
rxn:4:218621:224853,CC1(C)CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)cc2)CC1,KBHMXYLMFGIAKK-UHFFFAOYSA-N
rxn:4:218642:223556,CC(C)(C)OC(=O)n1c2ccccc2c2cc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)ccc21,RKAIWFNEUWSGOT-UHFFFAOYSA-N
rxn:4:218642:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)cc2)C1,GFPVLUSGRXKFLL-UHFFFAOYSA-N
rxn:4:218642:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cncc(C(=O)N4CCC(COc5cc(C6CC6)ncn5)CC4)c3)cnc2C1,ATYDNMWRVLBYHW-UHFFFAOYSA-N
rxn:4:218666:225877,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4N4CCOCC4)c3)C2)nn1,DHQIWURHUDCSHS-UHFFFAOYSA-N
rxn:4:218682:225172,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)CC1,UVVHJEHNECGTMY-UHFFFAOYSA-N
rxn:4:218682:225313,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)CC1,KJTIORFKIDOYNP-UHFFFAOYSA-N
rxn:4:218684:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,XLGMBXJJBKWQOB-UHFFFAOYSA-N
rxn:4:218695:222621,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(CC(C)C)nc(C5CCCNC5)c4)c3C)CC2)cc1,OEFIPRWXOSZMHX-UHFFFAOYSA-N
rxn:4:218695:226010,COc1ccc(OC(F)(F)F)cc1-c1c(C)nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C,LYXBJUBBDCXPCL-UHFFFAOYSA-N
rxn:4:218699:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(-c4ccc(C#N)c(N5CCCN(C(=O)OC(C)(C)C)CC5)n4)c3)cc2)CC1,ZMISWNWGXCMYNW-UHFFFAOYSA-N
rxn:4:218750:223588,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)no2)c1=O,DRBCQQXOVIOILI-UHFFFAOYSA-N
rxn:4:218755:223939,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3n(CC#N)c2=O)CC1,RFKPKAJVVANLCD-UHFFFAOYSA-N
rxn:4:218768:225975,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(N2CCOCC2)c1Cl,GMIWRNYNJANCBV-UHFFFAOYSA-N
rxn:4:218794:223541,CCOC(=O)c1nc(Cn2nc(C)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c2C)no1,SSWPPOZDLYJWFR-UHFFFAOYSA-N
rxn:4:218815:224976,N#Cc1c(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)cccc1N1CCCCC1,NEWLRJAFWHRWHX-UHFFFAOYSA-N
rxn:4:218815:226427,CC1CCN(c2csc(-c3cnn(CC4CN(C(=O)CN5C(=O)CCC5=O)C4)c3)c2)CC1,GRHUZOKRDAXUEC-UHFFFAOYSA-N
rxn:4:218885:223532,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,YDHUVFPJMINQOK-UHFFFAOYSA-N
rxn:4:218887:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cnoc5C)CC4)nc3)c2)CC1,STRSWFKPNNUATM-UHFFFAOYSA-N
rxn:4:218896:222634,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,GUFJNMVXFHSNCH-UHFFFAOYSA-N
rxn:4:218899:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)ccc2C)CC1,CDGCSDDJJYIJBX-UHFFFAOYSA-N
rxn:4:218919:222813,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)C2)cn1,GEAJSUKYRSGBQE-UHFFFAOYSA-N
rxn:4:218919:223823,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cn1,QXRSLNGINIHZHA-UHFFFAOYSA-N
rxn:4:218944:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,CZLXBHXQCOATQP-UHFFFAOYSA-N
rxn:4:218944:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2)CC1,PRENQWZOAGPMOU-UHFFFAOYSA-N
rxn:4:218945:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc([N+](=O)[O-])c3N3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1,OCYGFCARJRRDCF-UHFFFAOYSA-N
rxn:4:218965:226275,Cc1cc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cnn2C)cnc1OCC(C)C,UOSNICLOGQZIQN-UHFFFAOYSA-N
rxn:4:218971:225172,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)s1,FCVARZKZXJTOKG-UHFFFAOYSA-N
rxn:4:218992:229056,CC(C)n1nccc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,SASZEADNVDRJEJ-UHFFFAOYSA-N
rxn:4:219000:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(CCn5ncccc5=O)CC4)cc3)c2)C1,QGTNDFGEKJIEMR-UHFFFAOYSA-N
rxn:4:219026:223774,COc1cccc2c1cc(-c1cnn(C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)C1)n2C(=O)OC(C)(C)C,PKFSOPGGNGJKAN-UHFFFAOYSA-N
rxn:4:219027:223533,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cnn1C,LLWWKJHCSAIWRY-UHFFFAOYSA-N
rxn:4:219028:223649,CC1CN(C(=O)c2cnn(C)c2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CCN1C(=O)OC(C)(C)C,COYYXVZWJMMWDR-UHFFFAOYSA-N
rxn:4:219029:224963,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1cccc(COC2CCOCC2)c1,GFGXSQOKQXJMBU-UHFFFAOYSA-N
rxn:4:219033:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)ccc2C1,NNZPYZQMXORLKK-UHFFFAOYSA-N
rxn:4:219047:222449,COc1ccc(-c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,TUFLDQRFSXXXGB-UHFFFAOYSA-N
rxn:4:219051:225877,CN(c1cnc(-c2ccc(Cl)cc2N2CCOCC2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,KSNIQHKBTRNUPD-UHFFFAOYSA-N
rxn:4:219071:222612,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc4)CC3)n[nH]2)cc1,YHJOCVBTXXJQDB-UHFFFAOYSA-N
rxn:4:219071:224161,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5ccc6c(c5)CN(C(=O)OC(C)(C)C)C6)cc4)CC3)n[nH]2)cc1,KSMGPIDGYCKULN-UHFFFAOYSA-N
rxn:4:219120:225977,O=C(c1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XTSATQCTOIBRTL-UHFFFAOYSA-N
rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
rxn:4:219129:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2Cl)CC1,ROWWKHLHRJQGJE-UHFFFAOYSA-N
rxn:4:219131:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)Cc5c[nH]c6ccccc56)C4)nc3)cc2)CC1,LFIANNDCTPDBFP-DWPDUTPCSA-N
rxn:4:219135:222611,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)N6CCNCC6)ccc5OC)c4)C3C2=O)cc1,XTYDHLRFEVLHSV-UHFFFAOYSA-N
rxn:4:219135:224592,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(C6(C#N)CCCCC6)ccc5F)c4)C3C2=O)cc1,OQYIXLMYCYQFIB-UHFFFAOYSA-N
rxn:4:219135:224874,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(COC6CCCCC6)c5)c4)C3C2=O)cc1,KVZPWVYPVGVNFL-UHFFFAOYSA-N
rxn:4:219142:223602,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc23)CC1,AIDGXGISULYWLS-UHFFFAOYSA-N
rxn:4:219184:224759,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,QREHESPNKVHVTA-UHFFFAOYSA-N
rxn:4:219184:225877,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,MJXVZYNXXWXTQY-UHFFFAOYSA-N
rxn:4:219221:224375,CC(C)(C)C(=O)Cn1nc([N+](=O)[O-])nc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,LZUWAFMSYJLPMH-UHFFFAOYSA-N
rxn:4:219243:224617,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(OCCN4CCCC4)c(Cl)c3)n2)C1,UVKXBPZGYUZZCY-UHFFFAOYSA-N
rxn:4:219349:223595,COc1cnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)nc1,HXNYHGCSPZPENO-UHFFFAOYSA-N
rxn:4:219369:225986,Cn1c(-c2ccccc2N2CCCS2(=O)=O)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,HOLUOBDCPWJCEW-QGZVFWFLSA-N
rxn:4:219371:225446,Cc1cc(OC2CCCC2)cc(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)c1,ONJAJWGFBUEJLL-UHFFFAOYSA-N
rxn:4:219372:222584,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,QMVFFFQHWCQLPY-UHFFFAOYSA-N
rxn:4:219372:225984,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,HVZVEBZJVCJLOK-UHFFFAOYSA-N
rxn:4:219373:225794,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(OC4CCCCC4)nc3)n2)CC1,HLESULOIURAQNG-UHFFFAOYSA-N
rxn:4:219374:225319,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(F)c(F)c(N4CCOCC4)c3)nn2)CC1,IHDASBFCZYERDF-UHFFFAOYSA-N
rxn:4:219375:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cn(C2CCCN(C(=O)OC(C)(C)C)C2)nn1,IUIXPANRCLBBSF-UHFFFAOYSA-N
rxn:4:219389:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cccnc3)C2)nc1,HAHVKHFRPLMJLH-UHFFFAOYSA-N
rxn:4:219401:226715,CC(C)(C)OC(=O)N1CCCN(c2nnc(-c3cnn(C(=O)OC(C)(C)C)c3)s2)CC1,LYXGLBVKOHKIFJ-UHFFFAOYSA-N
rxn:4:219403:226722,COC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)cnc1OC,QJAAVRXFSXMCBU-UHFFFAOYSA-N
rxn:4:219405:223993,Cc1cc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,WFCVQLMTPLDZKU-UHFFFAOYSA-N
rxn:4:219439:223835,Cc1cc(F)c(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,SRAQMDBEQYOEEA-UHFFFAOYSA-N
rxn:4:219439:224393,FC(F)(F)c1ccc(N2CCOCC2)c(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1,MNOZMALAEOCIEN-UHFFFAOYSA-N
rxn:4:219452:223170,Cc1nc(-c2cnc(C3CCCNC3)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,XBHUIYKAXKOUBZ-UHFFFAOYSA-N
rxn:4:219453:223728,CCCCCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)c(F)c2)CC1,AOJFFKNERPEQAX-UHFFFAOYSA-N
rxn:4:219455:226371,Cc1cc(N2CCCC2)ncc1-c1n[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,ZKYVSGVPBOBKIQ-UHFFFAOYSA-N
rxn:4:219456:225232,CC1CCN(c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)cnc2Cl)CC1,UBDQTOCJGCGASF-UHFFFAOYSA-N
rxn:4:219464:223491,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cn2)CC1,FDULLUIOZYFUQY-UHFFFAOYSA-N
rxn:4:219467:223595,Cc1cccc(OCC2CCCN(c3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)n1,GIZBJULKKDCSCM-UHFFFAOYSA-N
rxn:4:219477:224761,O=C(c1ccccc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,NOXMTUMQDYJBNQ-UHFFFAOYSA-N
rxn:4:219489:223528,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,OUQOJTTXCCLCRX-UHFFFAOYSA-N
rxn:4:219494:223993,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)C2)nc(C2CC2)n1,UPXMJKZODSAOKZ-UHFFFAOYSA-N
rxn:4:219508:223881,Cc1ccc2cc(-c3ccccc3C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)n(C(=O)OC(C)(C)C)c2c1,HJBASFSGHLUTHW-UHFFFAOYSA-N
rxn:4:219508:225869,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(N4CCOCC4)c(Cl)c3)CC2)cc(C(F)(F)F)n1,TUCIKCZRPQPVTF-UHFFFAOYSA-N
rxn:4:219530:228311,CCCc1ncc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c(Cl)n1,HUDPHBFTTGQJCA-UHFFFAOYSA-N
rxn:4:219530:228974,CS(=O)(=O)n1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cn1,NANHOOYRJMAOSE-UHFFFAOYSA-N
rxn:4:219533:222465,CSc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,FGINSSGQIAXBFX-UHFFFAOYSA-N
rxn:4:219551:227387,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnc(N5CCCC5)c4)cn3)CC2)C1=O,HMXMYHZQQOPMGQ-UHFFFAOYSA-N
rxn:4:219551:228712,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccnn4C4CCC4)cn3)CC2)C1=O,KOWXGZXQVXSFQP-UHFFFAOYSA-N
rxn:4:219552:229164,COc1cncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)n1,XULGPLGCIFFQBU-UHFFFAOYSA-N
rxn:4:219553:226236,CCCCOc1ncc(C)cc1-c1ccc(Cl)c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1,QHPTXXTUNSVMDJ-UHFFFAOYSA-N
rxn:4:219560:224379,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccccc3S(=O)(=O)N3CCN(C)CC3)CC2)cn1C,PKRJLJXJVPGSEN-UHFFFAOYSA-N
rxn:4:219653:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2)CC1,DRVPPFFRYSXHHY-UHFFFAOYSA-N
rxn:4:219653:223683,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)nc3s2)CC1,JCTFPBAEJKQVFC-UHFFFAOYSA-N
rxn:4:219653:223945,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)nc3s2)CC1,VBPGUKMATTYMHC-UHFFFAOYSA-N
rxn:4:219653:224759,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)nc3s2)CC1,HTEUMPNSWNULSR-UHFFFAOYSA-N
rxn:4:219687:223671,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,AUSAEOHKVHDFTF-UHFFFAOYSA-N
rxn:4:219688:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2c1,IBTPVVQNGZEPCZ-UHFFFAOYSA-N
rxn:4:219688:225877,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(Cl)cc4N4CCOCC4)cn3n2)CC1,LCCWHRDPMQNDGO-UHFFFAOYSA-N
rxn:4:219689:223788,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)n3c2)CC1,ZBNQOHAECFJGNN-UHFFFAOYSA-N
rxn:4:219691:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)CC1,JFZIXGWNPHGSCA-UHFFFAOYSA-N
rxn:4:219691:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,UFXPPQBSGDHHCT-UHFFFAOYSA-N
rxn:4:219692:223591,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c3cnc(Cl)nc32)CC1,WCMRGMNPQLYVBF-UHFFFAOYSA-N
rxn:4:219706:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,GTZZZQDGESXSAC-UHFFFAOYSA-N
rxn:4:219717:223997,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5cc(C)c(S(=O)(=O)N6CCOCC6)c(C)c5)cc4)CC3C2)n1,KIAFZVQTIJPHDX-UHFFFAOYSA-N
rxn:4:219817:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3nc(C(F)(F)c4ncc(C(F)(F)F)cc4Cl)n[nH]3)cc2)CC1,AKAADVQEPGFRLK-UHFFFAOYSA-N
rxn:4:219880:225279,CSc1ncc(-c2c(C)nn(C(=O)OC(C)(C)C)c2C)c(N2CCN(S(C)(=O)=O)CC2)n1,SSTSMQFTISVPLG-UHFFFAOYSA-N
rxn:4:219899:223671,Cc1cc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)ncn1,PPDZUGQDCSVBFF-UHFFFAOYSA-N
rxn:4:219910:223595,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1=O,MTSXDIBBSXRJAO-UHFFFAOYSA-N
rxn:4:219934:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(F)c2)CC1,GMBPCCZPCCWFNF-BWZATIJHSA-N
rxn:4:219959:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CCO1)N1CCOCC1,FQHNWRROPBACEU-UHFFFAOYSA-N
rxn:4:219988:223138,O=C(C1CCCN(c2ncc(-c3ccnc(C4CCNCC4)c3)cn2)C1)N1CCOCC1,HCSFIDCHQABRSI-UHFFFAOYSA-N
rxn:4:219988:225297,O=C(C1CCCN(c2ncc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)C1)N1CCOCC1,KEMAMFMZVFLTSB-UHFFFAOYSA-N
rxn:4:219988:226283,CC(C)COc1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,YLOHJMFFIXRFLN-UHFFFAOYSA-N
rxn:4:220034:224408,CC(C)CC(=O)N1CCn2nc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)nc2C1,JPDMHWYKQCYHFE-UHFFFAOYSA-N
rxn:4:220038:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,PMVIHAMBROBIRD-UHFFFAOYSA-N
rxn:4:220038:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)C2,ANOOEYWNQFNTNM-UHFFFAOYSA-N
rxn:4:220038:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cnc1Cl,ZYBNQXOHRMMFEO-UHFFFAOYSA-N
rxn:4:220038:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)c1F,NNOBCEAQPQKTGR-UHFFFAOYSA-N
rxn:4:220039:224746,CC(=O)N1CCN(c2ccc(-c3nnc4n3CN(C(=O)OC(C)(C)C)CC4)cn2)CC1,OZSNSHRWDZJOTQ-UHFFFAOYSA-N
rxn:4:220039:224770,Cc1cc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc(S(=O)(=O)N2CCCC2)c1,PRCOBENRMKHCLI-UHFFFAOYSA-N
rxn:4:220040:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3nc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc12,RJLDCIVLUVXUEN-UHFFFAOYSA-N
rxn:4:220040:224400,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)nc2C1,XVMLBIAIIASKRJ-UHFFFAOYSA-N
rxn:4:220069:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)c2)CC1,NMCKXPVXQDQOLH-UHFFFAOYSA-N
rxn:4:220164:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)cc1,BSHJOSDQQUPWCW-UHFFFAOYSA-N
rxn:4:220164:223970,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc5ccccn45)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,FCCKPIANYIUJHN-UHFFFAOYSA-N
rxn:4:220209:225623,O=S(=O)(c1ccccc1-c1cccc(OC2CCOCC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,OIDXPKAPUSLMEM-UHFFFAOYSA-N
rxn:4:220221:225172,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCOCC5)ccc4F)cc2)OC3)CC1,AIOJESHHUKILJH-UHFFFAOYSA-N
rxn:4:220221:225313,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,XEXLYSDYUBTAGS-UHFFFAOYSA-N
rxn:4:220221:225876,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)ccc4N4CCOCC4)cc2)OC3)CC1,CTWPSQKKUMNVFJ-UHFFFAOYSA-N
rxn:4:220266:229088,CC(=O)c1csc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)c1,KKKUZBWVQVZHCT-UHFFFAOYSA-N
rxn:4:220356:223539,COc1ccc(-c2nc([N+](=O)[O-])nn2C2CCCCC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,MOPQZVUGZTYFCK-UHFFFAOYSA-N
rxn:4:220426:223992,Cc1ccc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,XGRXZMZBEILPMQ-UHFFFAOYSA-N
rxn:4:220428:223481,Cc1ccnc(N2CCN(c3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)c3)CC2)n1,LOIKFIPLAUQFPF-UHFFFAOYSA-N
rxn:4:220461:223728,CCCCCC1CCC(c2ccc(-c3nc4n(n3)CCN(C(=O)C(C)C)C4)c(F)c2)CC1,ASOMYZGJNFYCFK-UHFFFAOYSA-N
rxn:4:220497:223579,CC(C)Cn1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)nc2c1c(=O)n(C)c(=O)n2C,NEVCEGIQOKRGRV-UHFFFAOYSA-N
rxn:4:220808:223670,Cn1nc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)nc1N1CCCCC1,DNZXOTUGEGVZFE-UHFFFAOYSA-N
rxn:4:220935:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,IVMOEWCWDVMWPU-UHFFFAOYSA-N
rxn:4:220938:223539,COc1ccc(-c2nc3c(Cl)ncnc3n2C2CCCCO2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,SIMVYGKJCUPZSH-UHFFFAOYSA-N
rxn:4:221111:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)cc2)CC1,USZHUZVRFJLGNN-GRINGSDRSA-N
rxn:4:221112:223997,CCOc1ccc(-c2cc(C)c(S(=O)(=O)N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,XQMDKCZTPGWEJY-UHFFFAOYSA-N
rxn:4:221114:224579,CCOc1ccc(-c2cc(-n3cnc(C)c3)ccc2C2CC2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XPVVHHGBQICJNU-UHFFFAOYSA-N
rxn:4:221152:222584,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OZKKYCUZSYRCEW-UHFFFAOYSA-N
rxn:4:221153:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(COc5cc(C#N)ccn5)C4)nc3)c2Cl)CC1,BFWJJHKYPXXPLQ-UHFFFAOYSA-N
rxn:4:221172:224759,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)ccc1=O,NMHMEKJBHWOWFQ-UHFFFAOYSA-N
rxn:4:221182:229168,COCCN1C(=O)CN(C2CCN(c3ncc(-c4sc(C)nc4OC)cn3)CC2)C1=O,HADGNNGIQFSBGO-UHFFFAOYSA-N
rxn:4:221186:222629,CN(CC1CCN(c2ncc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,HWKXOFXNULJVQJ-UHFFFAOYSA-N
rxn:4:221193:223847,CCCCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)CC1,OTJPMEKUYIQPJC-UHFFFAOYSA-N
rxn:4:221209:227770,COc1ncc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)cc1[N+](=O)[O-],JJMIYEKYAVXBPT-UHFFFAOYSA-N
rxn:4:221233:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)cn6n5)CC4)c3)cc2)CC1,NFOFQMSZXSXOPJ-KWQFAZJVSA-N
rxn:4:221249:222980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)cc5)cnn4c3)cc2)CC1,SSORPCKUNXKJIU-UHFFFAOYSA-N
rxn:4:221250:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4=NN(C(=O)CN5CCCCC5)C(c5nc6ccccc6[nH]5)C4)cc3)cc2)CC1,ZUJZLDUENALJEE-QZHRDHLUSA-N
rxn:4:221275:224292,Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)ccc1S(=O)(=O)OCC(C)(C)C,JZNXIEYWZMARQX-UHFFFAOYSA-N
rxn:4:221342:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)c2)CC1,GHVBGBUKIJQFRY-UHFFFAOYSA-N
rxn:4:221389:222634,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1C,AJHXPBGBZLGABK-UHFFFAOYSA-N
rxn:4:221392:224718,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)CC2)n1,LKHRZXJEYCOJFE-UHFFFAOYSA-N
rxn:4:221398:222634,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)CC1,NEFHEPDWLXGVCQ-UHFFFAOYSA-N
rxn:4:221401:224198,CCN1CCN(Cc2ccc(-c3cccc(CN4CCN(c5nccc(N(C)C)n5)CC4)c3)c(F)c2)CC1,BACMLISSZVBMKN-UHFFFAOYSA-N
rxn:4:221419:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)nc1,KLICZLFPYGMVHY-UHFFFAOYSA-N
rxn:4:221425:222722,O=S(=O)(c1cccc(-c2cccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)c2)c1)N1CCC(O)CC1,UGYVMKOOIDDFDP-UHFFFAOYSA-N
rxn:4:221431:222987,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C4CCNCC4)nc3C)CC2)n1,OZGDTJSHQNVVSQ-UHFFFAOYSA-N
rxn:4:221442:223481,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)CC2)n1,YRTRRXKTNVFSHN-UHFFFAOYSA-N
rxn:4:221451:225318,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3c(F)cc(N4CCOCC4)cc3F)CC2)n1,BZWRSFXRQXNHHI-UHFFFAOYSA-N
rxn:4:221521:223536,Cc1nc2c(c(N3CCCC(COc4ncc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)C3)n1)CCC2,BNIMZGZHHFVZHY-UHFFFAOYSA-N
rxn:4:221641:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2Cl)CC1,VXJFMFCEGZLLCO-UHFFFAOYSA-N
rxn:4:221645:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc21,JTXWPRXEHKWTJO-UHFFFAOYSA-N
rxn:4:221723:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)c2)C1,SCTYYGMWCWKIDR-UHFFFAOYSA-N
rxn:4:221971:225233,CC1CCCN(c2cc(-c3cnc(OCC4CCN(Cc5nnc6n5CCC6)CC4)nc3)cnc2Cl)C1,ZKCNUARSHDXVSU-UHFFFAOYSA-N
rxn:4:221978:224759,O=C(c1cc(F)cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)c1)N1CCOCC1,NPZJSMNUMBYJTM-UHFFFAOYSA-N
rxn:4:221980:223975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cn(C(=O)OC(C)(C)C)c6ccc(Cl)nc56)c4)sc3n2)CC1,BXMAXTSQSUGRBH-UHFFFAOYSA-N
rxn:4:221985:223670,Cn1cc(-c2nc3cnc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,IKKRGNNXLJSZIB-XMMPIXPASA-N
rxn:4:222008:222634,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)n1C,ZFRZYTZTONBTCH-UHFFFAOYSA-N
rxn:4:222008:223787,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1C,GQLGAERPNCDRIX-UHFFFAOYSA-N
rxn:4:222031:224018,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)CC2)n1,QPXPGPCEELDPKN-UHFFFAOYSA-N
rxn:4:222032:225165,COc1cc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)ccc1N1CCOCC1,MBTHXHPBWWFTFN-UHFFFAOYSA-N
rxn:4:222044:224377,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)cc4)CC3)nn2)n1,NWEBIWFRIBHMMP-UHFFFAOYSA-N
rxn:4:222056:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)ccc2Cl)CC1,JIABMCYNGFNKQM-UHFFFAOYSA-N
rxn:4:222112:223506,Cc1nc2ccc(OCC3CCN(c4ncc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)nn2c1C,CTAOCBNKOWDSEA-UHFFFAOYSA-N
rxn:4:222112:223595,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cn4)CC3)nn2c1C,NCNDJKNGLLBWAU-UHFFFAOYSA-N
rxn:4:222124:222947,O=C1C2N=NN(Cc3nc(-c4cccc(-c5cnc(N6CCCC(O)C6)nc5Cl)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,UJXOWKCCQXIOLP-UHFFFAOYSA-N
rxn:4:222124:222948,O=C1C2N=NN(Cc3nc(-c4cccc(-c5cnc(N6CCC(O)CC6)nc5Cl)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,XCWHRWOFEHTMGN-UHFFFAOYSA-N
rxn:4:222124:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)c2)CC1,AZBNTHVQZKZBCF-UHFFFAOYSA-N
rxn:4:222124:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)ccc21,GMUNFYIWTDZWHZ-UHFFFAOYSA-N
rxn:4:222152:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nc1,GYTVCNCEUQZIFV-UHFFFAOYSA-N
rxn:4:222155:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1,ZJBDTTJJOOYOPP-UHFFFAOYSA-N
rxn:4:222163:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5cc(C6CC6)nc(C)n5)CC4)nc3)cc2)CC1,FNJCVEQBGYRXLB-DIVCQZSQSA-N
rxn:4:222166:222447,COc1ccc2c(c1-c1cnc(N3CCN(c4cc(C(C)(C)C)ncn4)CC3)nc1)N=C(NC(=O)OC(C)(C)C)C2,DWXFIRZQZXEXDZ-UHFFFAOYSA-N
rxn:4:222168:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2Cl)CC1,QENANIBGBFXZDW-UHFFFAOYSA-N
rxn:4:222289:223492,Cc1cc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IFBRHDPEKFQVFT-UHFFFAOYSA-N
rxn:4:222336:222546,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)cn4)CC3)n2)n1,JHCCOZSLBTWMJT-UHFFFAOYSA-N
rxn:4:222337:223834,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cn3)CC2)n1,QJCHNWJGJAANNE-UHFFFAOYSA-N
rxn:4:222379:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)c2)CC1,BRVMDXZEMHQOBU-UHFFFAOYSA-N
rxn:4:222389:178018,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(OC)c1C1OCCO1,KHTQFBZTXUILJV-UHFFFAOYSA-N
rxn:4:222389:207045,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cnc1N(C)C1CCCCC1,LQOGGTHQQJDBGY-UHFFFAOYSA-N
rxn:4:222389:216204,COc1ccc2c(n1)c(-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)nn2C1CCCCO1,NSFUXTNRPLZWQP-UHFFFAOYSA-N
rxn:4:222722:218964,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)cn3)C2)CC1,MRBSUMYNCGUXJY-UHFFFAOYSA-N
rxn:4:222842:179653,O=C(NC1CCCC1)c1cccc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)c1,TVHZQISKBOALSN-UHFFFAOYSA-N
rxn:4:223530:214407,COCn1nc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)nc1C(=O)[O-],LLUXIMMXXRGPAB-UHFFFAOYSA-M
rxn:4:223540:215323,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc(C#N)ncc1C(F)(F)F,AIDKCROBQGCVLP-UHFFFAOYSA-N
rxn:4:223540:215356,CCn1nc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)cc1[N+](=O)[O-],ZAVDJEQQEUFYTP-UHFFFAOYSA-N
rxn:4:223590:216921,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCCC2=O)cn1,ZGNNOQXXVQIBOI-UHFFFAOYSA-N
rxn:5:176853:225794:226652,COC(=O)c1cc(-c2cnc(OC3CCCCC3)nc2)c(-c2cc(C)nn2C2CCCCO2)cc1OC,SUISVFIKSMORNL-UHFFFAOYSA-N
rxn:5:176854:225832:226837,COC(=O)c1cc(OC)c(-c2c(C)nn(CC(F)(F)F)c2C)c(-c2c(C)nn(C3CCCCO3)c2C)c1,PUDCIMSAUWROMU-UHFFFAOYSA-N
rxn:5:176855:225445:225448,COC(=O)c1cc(-c2cc(C)ccc2OC2CCCC2)c(-c2ccccc2OC2CCCCC2)cc1OC,LGHWPTSSSDRNRV-UHFFFAOYSA-N
rxn:5:176860:225832:226084,COC(=O)c1c(-c2c(C)nn(C3CCCCO3)c2C)ccc(OC)c1-c1ccc2c(c1)C(=O)CCCC2,WYTXNLWLUWJVBE-UHFFFAOYSA-N
rxn:5:176865:225976:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)cc(OC)c1-c1ccnc(N2CCOCC2)c1F,VSCUCVMUIOJRSZ-UHFFFAOYSA-N
rxn:5:176995:226837:225832,CCOc1cc(-c2c(C)nn(CC(F)(F)F)c2C)cc(-c2c(C)nn(C3CCCCO3)c2C)c1OC,UWYBAQGJQDPYQJ-UHFFFAOYSA-N
rxn:5:177181:225507:225833,COC(=O)C1CCc2cc(-c3ccc(C(=O)OC(C)C)cc3-c3ccnc(N4CCCCC4)c3F)ccc21,VKXKKULGCQMJGP-UHFFFAOYSA-N
rxn:5:177373:222958:223010,Cc1ccc(-c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2OCC2OCCO2)cc1C1CCNCC1,LTKWXCBOYJGEKY-UHFFFAOYSA-N
rxn:5:177373:226771:225395,COC(=O)c1cc(F)c(F)cc1-c1cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)ccc1OCC1OCCO1,KGMYTVPOXQJGOP-UHFFFAOYSA-N
rxn:5:177731:225834:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cc(N2CCCCC2)ncc1F,PXDPYLSIMLJIAS-UHFFFAOYSA-N
rxn:5:177731:225976:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1F,KXCFQPAVRAWIQM-UHFFFAOYSA-N
rxn:5:177731:225976:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,OOMZCUFBYXXTMD-UHFFFAOYSA-N
rxn:5:177733:225633:223061,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCCCCC3)nc2)cc(-c2cc(C3CCNCC3)ncc2F)c1,XRYGWIGTKRTBKR-UHFFFAOYSA-N
rxn:5:177734:226679:225976,Cc1cc(-c2cnc(N3CCCC3)cc2F)c(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)OC(C)C,UEZLWHJQSLNYJF-UHFFFAOYSA-N
rxn:5:177737:225639:226663,CC1CCN(c2ncccc2-c2ccc(-c3ccc(N4CCSCC4)nc3)cc2C(=O)OC(C)(C)C)CC1,BUHSIYLFKOCQRI-UHFFFAOYSA-N
rxn:5:177738:226710:225449,COc1cc(-c2cccc(OC3CCCCC3)c2)c(-c2ccc(F)c([Si](C)(C)C)c2F)cc1OC1CCC1,GHNXDKUTFHBNGK-UHFFFAOYSA-N
rxn:5:177739:223061:225982,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cnc(N2CCOCC2)cc1F,ISQODVDWDORORW-UHFFFAOYSA-N
rxn:5:177850:222991:226187,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cccc(C2CCOCC2)c1,KFSLSVXFVYFTQU-UHFFFAOYSA-N
rxn:5:177850:223202:225625,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(OC2CCCC2)ccc1F,DLTAFYSNXJSZCS-UHFFFAOYSA-N
rxn:5:177850:223281:225927,CCOc1ccc(-c2ccc(C3(O)COC3)nc2)c(C2OCCO2)c1-c1cc(C(F)(F)F)ccc1N(C)C,LJBUVVDWJGZHMF-UHFFFAOYSA-N
rxn:5:177850:225407:225810,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,JTOYKVZZXIQZPP-UHFFFAOYSA-N
rxn:5:177850:225407:226913,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cc(CC)cc(C2CC2)c1,VXJHOFYOYXFPMK-UHFFFAOYSA-N
rxn:5:177850:225407:226971,CCOc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCCOC2,IRHQVUUJOQHXSI-UHFFFAOYSA-N
rxn:5:177850:225447:225462,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCC(C)CC2)c1,LXXQDYQHCDLYIO-UHFFFAOYSA-N
rxn:5:177850:225447:226913,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1cc(CC)cc(C2CC2)c1,DYDSGQSEJFNORH-UHFFFAOYSA-N
rxn:5:177850:225449:226913,CCOc1ccc(-c2cccc(OC3CCCCC3)c2)c(C2OCCO2)c1-c1cc(CC)cc(C2CC2)c1,POPVSTMBTPBODS-UHFFFAOYSA-N
rxn:5:177850:226048:223202,CCOc1ccc(-c2c(F)ccc(F)c2OC(F)(F)F)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,FTDRFBRLTCBJHR-UHFFFAOYSA-N
rxn:5:177850:226052:223202,CCOc1ccc(-c2c(F)ccc(OC(F)(F)F)c2F)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,SBSIPHCLBVLBGT-UHFFFAOYSA-N
rxn:5:177850:226185:222995,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCCC(O)C2)c1,HJJZJZBNSLVMAT-UHFFFAOYSA-N
rxn:5:177850:226185:223143,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(N2CCC(O)C2)c1,KNDRJGZWLFRNAW-UHFFFAOYSA-N
rxn:5:177850:226187:222995,CCOc1ccc(-c2cccc(C3CCOCC3)c2)c(C2OCCO2)c1-c1cccc(N2CCCC(O)C2)c1,FLXFYVSBYREPPA-UHFFFAOYSA-N
rxn:5:177850:226907:225407,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,HVLBDHGOSUSDBY-UHFFFAOYSA-N
rxn:5:177850:226907:225447,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1ccc(OC2CCCCC2)cc1,SHOXXGMOXOWVAH-UHFFFAOYSA-N
rxn:5:177850:226907:225927,CCOc1ccc(-c2cccc3c2CCC32CC2)c(C2OCCO2)c1-c1cc(C(F)(F)F)ccc1N(C)C,VDCIFAHMFAZDOW-UHFFFAOYSA-N
rxn:5:177850:226913:225447,CCOc1ccc(-c2cc(CC)cc(C3CC3)c2)c(C2OCCO2)c1-c1ccc(OC2CCCCC2)cc1,UNQLEJMFDHWYDX-UHFFFAOYSA-N
rxn:5:177850:226913:225449,CCOc1ccc(-c2cc(CC)cc(C3CC3)c2)c(C2OCCO2)c1-c1cccc(OC2CCCCC2)c1,ZMPCCLUFXAZMBK-UHFFFAOYSA-N
rxn:5:177850:226919:225802,CCOc1ccc(-c2cccc(C3CCCC3)c2)c(C2OCCO2)c1-c1ccc(OC2CCCC2)nc1F,HKNMOFYKRPCEPT-UHFFFAOYSA-N
rxn:5:177850:226971:225407,CCOc1ccc(-c2ccc3c(c2)CCCOC3)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,QGEGTJGEEOJJBM-UHFFFAOYSA-N
rxn:5:177850:226971:225498,CCOc1ccc(-c2ccc3c(c2)CCCOC3)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,BEZSWNPHWIKSRO-UHFFFAOYSA-N
rxn:5:177850:227072:225446,CCOc1ccc(-c2ccc(C3CC3)cc2OC)c(C2OCCO2)c1-c1cc(C)cc(OC2CCCC2)c1,ZWVFSGOESBOJCU-UHFFFAOYSA-N
rxn:5:177850:227369:225498,CCOc1ccc(-c2cc(F)ccc2OC2CC2)c(C2OCCO2)c1-c1cc(C2CCCCC2)ccc1F,PCFZRBJEXNQSEN-UHFFFAOYSA-N
rxn:5:177850:227369:225499,CCOc1ccc(-c2cc(F)ccc2OC2CC2)c(C2OCCO2)c1-c1ccc(C2CCCCC2)cc1F,RXNGDTJKDZMWDF-UHFFFAOYSA-N
rxn:5:177891:223389:226654,Cc1n[nH]c(C(F)(F)F)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1csc(N2CCC(C)CC2)n1,KUMFMQWGPMQWAL-UHFFFAOYSA-N
rxn:5:177891:223389:226836,Cc1n[nH]c(C(F)(F)F)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cn(C(C)C)nc1C(F)(F)F,IXDXXHOHMVZSNQ-UHFFFAOYSA-N
rxn:5:177891:226464:228180,COCc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2c(OC)ccc3c2OCCO3)ccc1F,YKTJCRKSSVYRKC-UHFFFAOYSA-N
rxn:5:177891:227679:226826,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)OC(F)(F)O3)c(F)c(C(F)(F)F)c1,NCJVGWZOJZINPL-UHFFFAOYSA-N
rxn:5:177891:227788:227205,O=C(SC1CS(=O)(=O)CC1c1cccc2c1OCCCO2)c1ccccc1-c1cc(C(F)(F)F)cnc1F,DOGHWHQQXMEJTB-UHFFFAOYSA-N
rxn:5:177891:227930:226898,Cc1nn(S(=O)(=O)N(C)C)cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(OC2CC2)c1,SSPJJBGHXDXVLW-UHFFFAOYSA-N
rxn:5:177891:228371:226901,N#Cc1c(F)ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(S(F)(F)(F)(F)F)c2)c1F,XIGMBMCRFUPLQI-UHFFFAOYSA-N
rxn:5:177891:228416:226900,COc1cc(F)cc(F)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1,WOEILTHUMGSDBP-UHFFFAOYSA-N
rxn:5:178118:225394:227561,COc1cc(F)c(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCCO3)c2)cc1OC,WVDHILQUBVMXSX-UHFFFAOYSA-N
rxn:5:178118:225394:227592,COc1cc(F)cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCCCO3)c2)c1OC,HLFGLIDPWDRDKN-UHFFFAOYSA-N
rxn:5:178120:227592:225394,COc1cc(F)cc(-c2cccc(OCC3CCOCC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,ZFNXGSKNXHEAOU-UHFFFAOYSA-N
rxn:5:178121:226058:226136,Cc1cc(C#N)c(-c2cccc(OCC3CCOCC3)c2-c2c(C(C)C)cccc2C(C)C)cc1C1CC1,LVNXNPNAVILYQX-UHFFFAOYSA-N
rxn:5:178122:225448:227587,COc1cc(-c2cc(-c3cc(C)ccc3OC3CCCC3)ccc2COC2CCCCO2)cc(F)c1OC,GGLSWIWXHLKYMJ-UHFFFAOYSA-N
rxn:5:178122:225809:227569,COc1ccc(F)c(OC)c1-c1cc(-c2cc(F)ccc2OC2CCOC2)ccc1COC1CCCCO1,PTHQACTXYGAYRO-UHFFFAOYSA-N
rxn:5:178122:226141:226152,COc1cc(C2CC2)cc(-c2cc(-c3ccccc3OC3CCCC3)ccc2COC2CCCCO2)c1C,OQGQZYPTZDSLJC-UHFFFAOYSA-N
rxn:5:178122:226152:225625,COc1cc(C2CC2)cc(-c2ccc(COC3CCCCO3)c(-c3cc(OC4CCCC4)ccc3F)c2)c1C,HZXSORIEYQIVSZ-UHFFFAOYSA-N
rxn:5:178122:226464:226189,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3ccc(C4CCCC4)c(F)c3)c1)OCCO2,PYIJPKWKNOJLTN-UHFFFAOYSA-N
rxn:5:178122:227561:225394,COc1cc(F)c(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)cc1OC,NILFENUKAUNWEF-UHFFFAOYSA-N
rxn:5:178224:226921:222991,Cc1cc(C)c(C2CC2)cc1-c1cc(OCC2CCCCC2)cc(-c2ccc(N3CCCC(O)C3)cc2)c1,FGJCANWOLKXJIK-UHFFFAOYSA-N
rxn:5:178225:225394:227574,COc1c(F)ccc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,ZYJCKHVLMVKHTF-UHFFFAOYSA-N
rxn:5:178295:223389:223439,COC(=O)C1(c2cc(-c3cc(C(F)(F)F)[nH]n3)ccc2-c2c(C)n[nH]c2C(F)(F)F)CCC(=O)CC1,KYTAOCXMJMOHBO-UHFFFAOYSA-N
rxn:5:178295:227540:223011,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,FMJKJGZOIHHXLO-UHFFFAOYSA-N
rxn:5:178295:227713:227870,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CC4)ccc2-c2cc(F)ccc2OC(F)F)CCC(=O)CC1,RDBHMLSJLGEEPW-UHFFFAOYSA-N
rxn:5:178295:228064:226652,COC(=O)C1(c2cc(-c3cc(C)nn3C3CCCCO3)ccc2-c2cnc3c(c2)C(=O)CC3)CCC(=O)CC1,CCYKJEWUBDJETM-UHFFFAOYSA-N
rxn:5:178295:228077:227679,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2-c2ccc3c(c2)C(=O)OC3)CCC(=O)CC1,GBQWQDPHPFYIIN-UHFFFAOYSA-N
rxn:5:178295:228341:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(OC(F)F)cc2)CCC(=O)CC1,RLSURHQHZUKGAK-UHFFFAOYSA-N
rxn:5:178295:228343:228653,COC(=O)c1sc(-c2ccc(-c3cnn4c3CCCC4)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,GMOBEFJPXYIILG-UHFFFAOYSA-N
rxn:5:178313:226139:223062,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cnc2C2CC2)c(-c2cnc(C3CCNCC3)cc2F)c1,WJSSNTKSGUKAMT-UHFFFAOYSA-N
rxn:5:178313:226145:225445,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(OC3CCCC3)cc2)c(-c2ccccc2OC2CCCCC2)c1,YXCPGNSMDCONRU-UHFFFAOYSA-N
rxn:5:178314:223203:222959,Cc1cc(-c2ccc(-c3cccc(C4(O)CCC4)c3)cc2O[Si](C)(C)C(C)(C)C)ccc1C1CCNCC1,SEWRQASESZERBR-UHFFFAOYSA-N
rxn:5:178315:225407:227073,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C4CCCCCC4)cc3)c2)cc(C2CC2)c1,DAOLQFBHCWGCDM-UHFFFAOYSA-N
rxn:5:178353:226464:225453,COc1ccc2c(c1-c1cc(C)c(S(=O)(=O)Oc3ccc(-c4cccc(SC5CCCCC5)c4)c(C)c3)cc1C)OCCO2,ZNRIAZNNKGEOLW-UHFFFAOYSA-N
rxn:5:178466:223006:225834,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,OGDRWSPYGGDQOC-UHFFFAOYSA-N
rxn:5:178466:223061:223062,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,QSMYBUBFTSOWRN-UHFFFAOYSA-N
rxn:5:178466:223061:225980,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,FNVNKMPHVCBMTH-UHFFFAOYSA-N
rxn:5:178466:223063:225633,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccc(N2CCCCCC2)nc1,VLRBPCRPWBLOLE-UHFFFAOYSA-N
rxn:5:178466:225784:225976,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,MGQJKEZQJWEIEN-UHFFFAOYSA-N
rxn:5:178466:225976:223006,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,MKEQRZXHXOYZSS-UHFFFAOYSA-N
rxn:5:178466:225982:225834,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,GHCAKVOLGQMTMO-UHFFFAOYSA-N
rxn:5:178467:223064:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,UJFXZIQTDNWLBB-UHFFFAOYSA-N
rxn:5:178467:223064:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,QTHQNBDYEHAJIT-UHFFFAOYSA-N
rxn:5:178467:223065:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,DAXRXTSABQRCRX-UHFFFAOYSA-N
rxn:5:178467:223389:226054,CCOC(=O)C1=Cc2cc(-c3cnc(C(F)(F)C(F)(F)F)nc3)cc(-c3c(C)n[nH]c3C(F)(F)F)c2OC1,KNHFQSAPQLBPKY-UHFFFAOYSA-N
rxn:5:178467:225632:227037,CCOC(=O)C1=Cc2cc(-c3cc(C#N)ccc3C3CC3)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,WEQJNSHYWJCPIF-UHFFFAOYSA-N
rxn:5:178467:225849:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,KODLTDLWQACKGS-UHFFFAOYSA-N
rxn:5:178467:225849:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,WAERDNIYKCPCLV-UHFFFAOYSA-N
rxn:5:178467:225980:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,DFXJVOPEKSVJDX-UHFFFAOYSA-N
rxn:5:178467:225980:227968,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCC3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,LJYCPLAUTCCVBN-UHFFFAOYSA-N
rxn:5:178467:226033:223389,CCOC(=O)C1=Cc2cc(-c3c(C)n[nH]c3C(F)(F)F)cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)c2OC1,ALULVGMNCFWHPQ-UHFFFAOYSA-N
rxn:5:178467:226644:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,WZZJCXUXKAOQNV-UHFFFAOYSA-N
rxn:5:178467:226664:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,IWFYTVNDZAZLLK-UHFFFAOYSA-N
rxn:5:178467:226794:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,ZVDYHJNFYWJRRG-UHFFFAOYSA-N
rxn:5:178467:227020:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(C#CC4CC4)c3)c2OC1,VBDMVQFGKYKGRJ-UHFFFAOYSA-N
rxn:5:179840:225924:225927,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(O[C@@H]2CCOC2)cc1-c1cc(C(F)(F)F)ccc1N(C)C,GWVMUFNFQNWOHG-OAQYLSRUSA-N
rxn:5:179840:225927:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(O[C@@H]2CCOC2)ccc1-c1cc(C(F)(F)F)ccc1N(C)C,FNNOQTILWQUHDU-OAQYLSRUSA-N
rxn:5:179840:225927:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(O[C@@H]2CCOC2)ccc1-c1cc(C(F)(F)F)ccc1N(C)C,DZCPLUYRQKPVTE-OAQYLSRUSA-N
rxn:5:179840:225927:225929,Cc1cc(-c2cc(O[C@@H]3CCOC3)ccc2-c2cc(C(F)(F)F)ccc2N(C)C)ccc1S(=O)(=O)N(C)C,JWEGPASWLNBNBU-JOCHJYFZSA-N
rxn:5:179840:225928:225927,Cc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2-c2cc(C(F)(F)F)ccc2N(C)C)cc1S(=O)(=O)N(C)C,IQNOFQHDGIEXAC-JOCHJYFZSA-N
rxn:5:179840:225928:225940,Cc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2-c2cc(C(F)(F)F)cnc2C2CC2)cc1S(=O)(=O)N(C)C,WSRWPUVKRIMKKF-JOCHJYFZSA-N
rxn:5:179840:225929:225927,Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2-c2cc(C(F)(F)F)ccc2N(C)C)ccc1S(=O)(=O)N(C)C,KCPAWKTUKOXXIH-JOCHJYFZSA-N
rxn:5:179840:225929:225940,Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2-c2cc(C(F)(F)F)cnc2C2CC2)ccc1S(=O)(=O)N(C)C,DITXAJJDIFNYNW-JOCHJYFZSA-N
rxn:5:180021:223010:227449,COc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2CCOCC2)s1,MSRVMKHPBLLUDK-UHFFFAOYSA-N
rxn:5:180022:223010:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,GJJDJRTYNICAOR-UHFFFAOYSA-N
rxn:5:180022:223010:225944,COc1c(-c2c(F)cc(F)c(OC(C)C)c2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,JMRVKQNIZZWLDU-UHFFFAOYSA-N
rxn:5:180022:223010:226048,COc1c(-c2c(F)ccc(F)c2OC(F)(F)F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,AMQBUCVGGFKFFM-UHFFFAOYSA-N
rxn:5:180022:223010:226875,COc1c(-c2cc(F)c(OC(F)F)cc2F)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,FCJGOPCZGRAHBT-UHFFFAOYSA-N
rxn:5:180022:225407:225944,COc1c(-c2c(F)cc(F)c(OC(C)C)c2F)ccc(-c2ccc(C3CCCCCC3)cc2)c1C1OCCO1,ZHCGVIYDLABGPV-UHFFFAOYSA-N
rxn:5:180022:225447:225930,COc1c(-c2cc(C)ccc2S(=O)(=O)N(C)C)ccc(-c2ccc(OC3CCCCC3)cc2)c1C1OCCO1,TVISZYDPSWMLTP-UHFFFAOYSA-N
rxn:5:180022:225447:225944,COc1c(-c2c(F)cc(F)c(OC(C)C)c2F)ccc(-c2ccc(OC3CCCCC3)cc2)c1C1OCCO1,BIKRDQSPGLJABT-UHFFFAOYSA-N
rxn:5:180022:225447:226605,COc1c(-c2cc(F)c(OC(C)C)cc2F)ccc(-c2ccc(OC3CCCCC3)cc2)c1C1OCCO1,RMAOLEVFEQMWMB-UHFFFAOYSA-N
rxn:5:180022:225498:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,RCSXUJYVFKJCTJ-UHFFFAOYSA-N
rxn:5:180022:225498:225452,COc1c(-c2ccc(OC3C=CCCC3)cc2)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,YXPCKVXVPRJFOB-UHFFFAOYSA-N
rxn:5:180022:225514:226176,COc1c(-c2ccncc2C2CCCCC2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,FNDSKROGSPYAER-UHFFFAOYSA-N
rxn:5:180022:225677:225674,COc1c(-c2cnc(C3CCCCC3)cc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,RFJKDQNBXDXWNQ-UHFFFAOYSA-N
rxn:5:180092:225982:225976,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCOCC3)cc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,VRXKFNSZZDWWIY-UHFFFAOYSA-N
rxn:5:180297:223281:226027,COc1cc(-c2ccc(C3(O)COC3)nc2)c(C2(C)OCCO2)cc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,DCKKZXJCSSWXBY-UHFFFAOYSA-N
rxn:5:180297:225622:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccccc3OC3CCCCO3)cc2OC)c(C2OCCO2)c1,SNYHWBPKBWTJIW-UHFFFAOYSA-N
rxn:5:180297:226027:223281,COc1cc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(C2(C)OCCO2)cc1-c1ccc(C2(O)COC2)nc1,CPPSHEMXJHVHBE-UHFFFAOYSA-N
rxn:5:180297:226916:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3cccc(C4=CCCC4)c3)cc2OC)c(C2OCCO2)c1,ZJDJPDHXADJNCF-UHFFFAOYSA-N
rxn:5:180297:227055:225924,COc1cc(-c2ccc(OC)c(C3CC3)c2)c(C2(C)OCCO2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1C,QVJMOIJAQHDVNS-UHFFFAOYSA-N
rxn:5:180297:228195:226029,CCOc1c(F)c(F)c(-c2cc(C3(C)OCCO3)c(-c3cn(C(C)(C)C)nc3C)cc2OC)c(F)c1F,SNPBSQSVKMNCRT-UHFFFAOYSA-N
rxn:5:180402:225931:227073,COc1cc(-c2cc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)ccc2C(=O)C2CCCCC2)cc(C2CC2)c1,CZCNRHOASICLAD-UHFFFAOYSA-N
rxn:5:180421:225452:226464,COc1ccc2c(c1-c1ccc(CC3CCCCC3)cc1-c1ccc(OC3C=CCCC3)cc1)OCCO2,GKPZIYVKQKHIQD-UHFFFAOYSA-N
rxn:5:180506:225407:227341,CC(C)Oc1cccc(-c2c(-c3ccc(C4CCCCCC4)cc3)cc(C(C)(C)C)cc2C2OCCO2)c1F,MXLOAJNJYMSYSP-UHFFFAOYSA-N
rxn:5:180602:223061:226663,COC(=O)C1Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(C4CCNCC4)ncc3F)c2O1,LDNQXULRUQWYSL-UHFFFAOYSA-N
rxn:5:180602:225980:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N4CCOCC4)ncc3F)c2O1,TZZOBJKOAJCTBK-UHFFFAOYSA-N
rxn:5:180602:226794:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,FDIZWJQHJDXNBX-UHFFFAOYSA-N
rxn:5:180662:223064:226679,COC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,FMSUCCLMSMXKDW-UHFFFAOYSA-N
rxn:5:180662:223065:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,YHPWABVIEPTPBG-UHFFFAOYSA-N
rxn:5:180662:225834:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,AIZKCLRGEVQNSA-UHFFFAOYSA-N
rxn:5:180662:225849:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,ORGPZFULSGIEND-UHFFFAOYSA-N
rxn:5:180662:226664:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,OKQPAMYSDSVOIV-UHFFFAOYSA-N
rxn:5:181906:223010:225927,Cc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(C(F)(F)F)ccc1N(C)C,YEXVNQQAVSKBET-UHFFFAOYSA-N
rxn:5:183064:223054:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(c(-c3ccc(C(C)N4CCC(O)C4)s3)c1)CCCC2=O,GXOBUBJMCWSWSO-UHFFFAOYSA-N
rxn:5:188249:226837:226652,CC(=O)Oc1c(C#N)cc(-c2cc(C)nn2C2CCCCO2)cc1-c1c(C)nn(CC(F)(F)F)c1C,NFZFPMGHUPHGQK-UHFFFAOYSA-N
rxn:5:188595:225936:226835,CCOc1c(-c2cc(C(F)(F)F)nn2C(C)C)cc(-c2cc(C(F)(F)F)cnc2C(C)C)cc1[N+](=O)[O-],ZFGPBABUFFMXHP-UHFFFAOYSA-N
rxn:5:188616:225927:225613,CCOc1cc(-c2cc(C(F)(F)F)ccc2N(C)C)c(-c2ccnc(OC3CCCCC3)c2)cc1[N+](=O)[O-],VTUQELIFQQTMSX-UHFFFAOYSA-N
rxn:5:188616:225927:225794,CCOc1cc(-c2cc(C(F)(F)F)ccc2N(C)C)c(-c2cnc(OC3CCCCC3)nc2)cc1[N+](=O)[O-],LKZFNKNTHJAPLH-UHFFFAOYSA-N
rxn:5:188616:226054:226835,CCOc1cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c(-c2cc(C(F)(F)F)nn2C(C)C)cc1[N+](=O)[O-],VDQRWXRZEJBUGW-UHFFFAOYSA-N
rxn:5:188787:226036:226042,COc1c(F)cc(C(F)(F)F)cc1-c1cc([N+](=O)[O-])c(OC2CC2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MDMFBFSQALKQIL-UHFFFAOYSA-N
rxn:5:188931:225435:226155,COC(=O)c1cc(-c2ccccc2CN2CCCCC2)cc(S(N)(=O)=O)c1-c1cc(C(C)=O)cc(C2CC2)c1,KBPZKCAHKIUGLW-UHFFFAOYSA-N
rxn:5:189207:225455:229091,CC(=O)c1occc1-c1ccc(-c2cc(N3CCCCC3)ccc2C)cc1C(=O)ON1C(=O)CCC1=O,YKUYRUZZZKZDGE-UHFFFAOYSA-N
rxn:5:189207:225583:229091,CC(=O)c1occc1-c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,LNCVRGOICKJCDH-UHFFFAOYSA-N
rxn:5:189207:225616:228866,COCc1noc(C)c1-c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1C(=O)ON1C(=O)CCC1=O,YQHLTJCGPNUNDS-UHFFFAOYSA-N
rxn:5:189207:225702:227449,COC(=O)n1c(-c2ccc(-c3ccc(C4CCOCC4)s3)c(C(=O)ON3C(=O)CCC3=O)c2)cc2ccccc21,INDASSAYLNDXGM-UHFFFAOYSA-N
rxn:5:189207:225931:227907,CCC(C)c1cncc(-c2ccc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)cc2C(=O)ON2C(=O)CCC2=O)c1,GPKUIPLFUVXIPD-UHFFFAOYSA-N
rxn:5:189207:226084:228283,CC(=O)c1cc(F)ccc1-c1ccc(-c2ccc3c(c2)C(=O)CCCC3)cc1C(=O)ON1C(=O)CCC1=O,QIMOFDKKRKDNKX-UHFFFAOYSA-N
rxn:5:189207:226186:227507,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CCOCC2)ccc1-c1cccc(C=C[N+](=O)[O-])c1,YHTGNSXKOVFKPQ-UHFFFAOYSA-N
rxn:5:189207:226332:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCC2)ccc1-c1ccc(C(=O)N2CCC2)cc1,HNADHPLVTMJVNN-UHFFFAOYSA-N
rxn:5:189207:226332:227507,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCC2)ccc1-c1cccc(C=C[N+](=O)[O-])c1,NWMKTNFXKCEKME-UHFFFAOYSA-N
rxn:5:189207:226413:228345,COC(=O)c1sc(C)cc1-c1ccc(-c2cccc(N3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,DZTUTVXUOBIRHN-UHFFFAOYSA-N
rxn:5:189207:226413:228460,COc1ncnc(OC)c1-c1ccc(-c2cccc(N3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,MBPPESNURBJYHX-UHFFFAOYSA-N
rxn:5:189207:226772:227205,COC(=O)c1cc(F)c(-c2ccc(-c3cccc4c3OCCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)c(F)c1,FQEVXWICXZSQOU-UHFFFAOYSA-N
rxn:5:189207:227203:226756,COc1cc(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)ccc1C(F)(F)F,OTRLERHTFRNBEC-UHFFFAOYSA-N
rxn:5:189207:227203:227546,COC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1F,XAUVBHWEHGMRFO-UHFFFAOYSA-N
rxn:5:189207:227338:223215,CC(C)Oc1ccc(F)c(-c2ccc(-c3ccc4c(c3)NC(=O)CC4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,JWQHHDXZTNBHPJ-UHFFFAOYSA-N
rxn:5:189207:227386:227197,CN1Cc2ccc(-c3ccc(-c4cnn(C5CCCCC5)c4)cc3C(=O)ON3C(=O)CCC3=O)cc2C1=O,WXWNPNOUPQGASV-UHFFFAOYSA-N
rxn:5:189207:227656:227530,COC(=O)c1ccc(F)c(-c2ccc(-c3cc(N4CCOCC4)cs3)cc2C(=O)ON2C(=O)CCC2=O)c1,YAINQQHBVJQBMQ-UHFFFAOYSA-N
rxn:5:189207:227656:228345,COC(=O)c1sc(C)cc1-c1ccc(-c2cc(N3CCOCC3)cs2)cc1C(=O)ON1C(=O)CCC1=O,CDQIFMMLUJORBK-UHFFFAOYSA-N
rxn:5:189207:227679:226882,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1ccc(C(F)(F)F)c(F)c1F,NBDLBKOQJNTRSW-UHFFFAOYSA-N
rxn:5:189207:227679:227795,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1ccc(F)c([N+](=O)[O-])c1F,IJEIWEPGYGZCHC-UHFFFAOYSA-N
rxn:5:189207:227800:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cc(F)nc(C(F)(F)F)c2)cc1C(=O)ON1C(=O)CCC1=O,JHJKVTBHYXXSTQ-UHFFFAOYSA-N
rxn:5:189207:227936:226413,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CC3)c2)ccc1-c1cccc(N2CCOCC2)c1,RYDGGIHPTAYNLC-UHFFFAOYSA-N
rxn:5:189207:228174:226319,CC(=O)Oc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,WDBDDZIXPWTUNH-UHFFFAOYSA-N
rxn:5:189207:228243:226411,CC(=O)c1cccc(-c2ccc(-c3ccc(N4CCOCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,SOQOIBKZABTZPX-UHFFFAOYSA-N
rxn:5:189207:228513:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C2CC2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,UIRUMGFTNMQGRA-UHFFFAOYSA-N
rxn:5:189208:225514:229168,COc1nc(C)sc1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ccc1C(=O)ON1C(=O)CCC1=O,GLQJUSSDQHQRDR-UHFFFAOYSA-N
rxn:5:189208:225584:228631,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccsc1C1CCC1,SOCATFZNVUCEBS-UHFFFAOYSA-N
rxn:5:189208:225873:227080,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1cccc(N2CCCC2)c1,PKEXSVBXFJSEOO-UHFFFAOYSA-N
rxn:5:189208:226179:228460,COc1ncnc(OC)c1-c1cc(-c2cncc(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,ODJLHKPVPIAZLS-UHFFFAOYSA-N
rxn:5:189208:226415:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)cc1-c1cccc(N2CCOCC2=O)c1,NVARVSIZXPVLIV-UHFFFAOYSA-N
rxn:5:189208:226466:227829,CN1C(=O)COc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C4CCC4)c3)ccc21,LZNDUDTZRYBYOI-UHFFFAOYSA-N
rxn:5:189208:227679:226771,COC(=O)c1cc(F)c(F)cc1-c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1C(=O)ON1C(=O)CCC1=O,LQJBNTQGSSSVAH-UHFFFAOYSA-N
rxn:5:189208:227875:226826,Cc1cc(-c2cc(-c3cccc4c3CCCO4)ccc2C(=O)ON2C(=O)CCC2=O)c(F)c(C(F)(F)F)c1,PQKKVCCVFJFCJL-UHFFFAOYSA-N
rxn:5:189208:228071:226047,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OCCO3)cc1-c1ccc(OC(F)(F)F)c(F)c1F,HMVVZSDZEDQMSJ-UHFFFAOYSA-N
rxn:5:189208:228077:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc3c(c2)C(=O)OC3)ccc1C(=O)ON1C(=O)CCC1=O,FHBNTQBKLZRYRI-UHFFFAOYSA-N
rxn:5:189208:228174:227390,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccnn3C3CCCCC3)c2)cc1,DZLASDDSVFRGHJ-UHFFFAOYSA-N
rxn:5:189208:228243:226069,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CCCCC4)c3)c2)c1F,LNKXMCIZZHRGNI-UHFFFAOYSA-N
rxn:5:189208:228603:225407,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(C4CCCCCC4)cc3)c2)c1,BCEGBKKEGBYNEM-UHFFFAOYSA-N
rxn:5:189209:226186:227546,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccccc3C3CCOCC3)c2)c1F,IKGNJTODTVBUBM-UHFFFAOYSA-N
rxn:5:189209:226186:227870,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)CC3)cc(-c2ccccc2C2CCOCC2)c1,PCVZDBXOVVNYDL-UHFFFAOYSA-N
rxn:5:189209:226187:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCOCC3)c2)cc(-c2cccc(N3CCOCC3=O)c2)c1,KEZCKIGIWDLRTO-UHFFFAOYSA-N
rxn:5:189209:228079:226187,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCOCC3)c2)cc(-c2cccc3c2COC3=O)c1,HOJPKTPLCFBTPP-UHFFFAOYSA-N
rxn:5:189210:223347:227656,O=C1NCc2c1cccc2-c1cccc(-c2cc(N3CCOCC3)cs2)c1C(=O)ON1C(=O)CCC1=O,SLAWNBQEDPKXGA-UHFFFAOYSA-N
rxn:5:189210:225450:229090,CC(=O)c1cc(-c2cccc(-c3ccc(C(=O)C4CCCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cs1,OGRPDBJXRCKDQT-UHFFFAOYSA-N
rxn:5:189210:225583:227095,O=C1CC(c2ccc(-c3cccc(-c4cccc(C(=O)N5CCCC5)c4)c3C(=O)ON3C(=O)CCC3=O)cc2)C1,HYPBNWKBZXZCTD-UHFFFAOYSA-N
rxn:5:189210:225871:228541,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1ccc2c(c1)COC2,XHDYJFYEDDWXRA-UHFFFAOYSA-N
rxn:5:189210:225871:228872,COC(=O)c1sccc1-c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1C(=O)ON1C(=O)CCC1=O,GTUQTLWYTOGPCN-UHFFFAOYSA-N
rxn:5:189210:226185:225871,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C3CCOCC3)cc2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,AZLXGAYNOJMVLH-UHFFFAOYSA-N
rxn:5:189210:226185:228872,COC(=O)c1sccc1-c1cccc(-c2ccc(C3CCOCC3)cc2)c1C(=O)ON1C(=O)CCC1=O,WJKUZUKIVJVGCZ-UHFFFAOYSA-N
rxn:5:189210:226411:227082,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(N3CCOCC3)cc2)cccc1-c1ccccc1N1CCCC1,DZFVHCTVXQIBTO-UHFFFAOYSA-N
rxn:5:189210:226413:227927,CCC(=O)c1cccc(-c2cccc(-c3cccc(N4CCOCC4)c3)c2C(=O)ON2C(=O)CCC2=O)c1,RVULIEFRGHSONS-UHFFFAOYSA-N
rxn:5:189210:226826:227863,Cc1cc(-c2cccc(-c3ccc4c(c3)CCCO4)c2C(=O)ON2C(=O)CCC2=O)c(F)c(C(F)(F)F)c1,AUAPNCYBDWRDDC-UHFFFAOYSA-N
rxn:5:189210:226980:227548,CCOc1ccc(F)c(F)c1-c1cccc(-c2cccc3c2C(=O)CCC3)c1C(=O)ON1C(=O)CCC1=O,PBNWOKYSOQPFDK-UHFFFAOYSA-N
rxn:5:189210:227183:227501,CN1Cc2cc(-c3cccc(-c4ccc(C=C[N+](=O)[O-])cc4)c3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,GNVVUHXETNCGDN-UHFFFAOYSA-N
rxn:5:189210:227680:227795,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(F)c([N+](=O)[O-])c2F)cccc1-c1cccc2c1OC(F)(F)O2,INGDGOWQSHJISE-UHFFFAOYSA-N
rxn:5:189210:227766:227863,CCn1nc(C(F)(F)F)cc1-c1cccc(-c2ccc3c(c2)CCCO3)c1C(=O)ON1C(=O)CCC1=O,GNZQFRAHRJOAGE-UHFFFAOYSA-N
rxn:5:189211:225622:228110,CCc1cnc(C#N)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1OC1CCCCO1,JIBFQTUJWXTLQM-UHFFFAOYSA-N
rxn:5:189211:226084:228340,COc1nc(C2CC2)sc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc2c(c1)C(=O)CCCC2,VLHAVOSFAMAEJF-UHFFFAOYSA-N
rxn:5:189211:226187:228872,COC(=O)c1sccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc(C2CCOCC2)c1,LXWRBAPNWSYZON-UHFFFAOYSA-N
rxn:5:189211:226411:227506,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCOCC3)cc2)c1-c1cccc(/C=C/[N+](=O)[O-])c1,QCSMGYYKYLXHFG-BUHFOSPRSA-N
rxn:5:189211:226411:227992,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(N3CCOCC3)cc2)c1-c1ccc(C2COC2)cc1,JOTKKLHTGWGBSY-UHFFFAOYSA-N
rxn:5:189211:226415:227507,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2N2CCOCC2)c1-c1cccc(C=C[N+](=O)[O-])c1,NKTLURZFFJBLLX-UHFFFAOYSA-N
rxn:5:189211:226452:228150,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3OCCCO3)cc2)cc1,WGUYBRWGGZLRQE-UHFFFAOYSA-N
rxn:5:189211:227103:228483,O=C(ON1C(=O)CCC1=O)c1cccc(-c2sccc2C2CCCCC2)c1-c1ccc([N+](=O)[O-])cc1F,NFTFQVYPIDCVHT-UHFFFAOYSA-N
rxn:5:189211:227203:226053,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OCCCO3)c1-c1ccc(F)c(OC(F)(F)F)c1F,JOFWRUGIZGZQOD-UHFFFAOYSA-N
rxn:5:189211:227203:226738,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1,XUIWHDHZFJNWGS-UHFFFAOYSA-N
rxn:5:189211:227203:227342,COC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCCO3)cc1C,IELCIJFRSWSYIM-UHFFFAOYSA-N
rxn:5:189211:227340:226895,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(F)c(C(F)(F)F)cc2F)ccc1C,OKCJJKGJDZGVBJ-UHFFFAOYSA-N
rxn:5:189211:227452:228343,COC(=O)c1sc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(C3OCCO3)c2)cc1C,AEWSLBKXTYUHAZ-UHFFFAOYSA-N
rxn:5:189211:227870:225616,O=C1CCc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3ccccc3C(=O)N3CCCC3)cc21,ONWAYMPYOPGRSQ-UHFFFAOYSA-N
rxn:5:189211:228150:226464,COC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2c(OC)ccc3c2OCCO3)cc1,ONSNLSBEEIOWEN-UHFFFAOYSA-N
rxn:5:189212:222990:229091,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(N2CCC(O)CC2)cc1,WPTCCPYSQOCSBB-UHFFFAOYSA-N
rxn:5:189212:223356:225803,CNC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnc(OC3CCOCC3)c2)c1,FGVIIIIATTWUKF-UHFFFAOYSA-N
rxn:5:189212:223389:227279,Cc1n[nH]c(C(F)(F)F)c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(C2CC2)nn1C(C)C,HPPFFLSHGWAODK-UHFFFAOYSA-N
rxn:5:189212:225616:228002,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCC2)c(-c2ccccc2C(=O)N2CCCC2)c1,BLUCWAQCVRVZIK-UHFFFAOYSA-N
rxn:5:189212:225871:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,ADXFSUJVSNPUGO-UHFFFAOYSA-N
rxn:5:189212:226084:226211,CC(=O)N1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc4c(c3)C(=O)CCCC4)ccc21,GNUCRNPXHMQGGC-UHFFFAOYSA-N
rxn:5:189212:226084:227103,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCCC2)c(-c2ccc3c(c2)C(=O)CCCC3)c1,DLZXQDYJEHEDIC-UHFFFAOYSA-N
rxn:5:189212:226186:228631,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccsc2C2CCC2)c(-c2ccccc2C2CCOCC2)c1,XUHGZBXFTGHPSM-UHFFFAOYSA-N
rxn:5:189212:226333:227870,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CC3)c(-c2cccc(C(=O)N3CCC3)c2)c1,ZXWFSMYZIKUSHQ-UHFFFAOYSA-N
rxn:5:189212:226854:227863,COc1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)CCCO3)c1[N+](=O)[O-],JTCIMPRQXUEPDQ-UHFFFAOYSA-N
rxn:5:189212:226870:227203,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)c(-c2ccc(F)c(OC(F)(F)F)c2)c1,ZBCZDRMACLMDBS-UHFFFAOYSA-N
rxn:5:189212:226915:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2ccc(C3CCCC3)cc2)c1,FGVIBNVRSXQMIQ-UHFFFAOYSA-N
rxn:5:189212:227095:227205,O=C1CC(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cccc4c3OCCCO4)cc2)C1,BOEBKJIOSHGAOK-UHFFFAOYSA-N
rxn:5:189212:227205:227673,CC(F)(F)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)c1F,XBKBICHPSGNDKE-UHFFFAOYSA-N
rxn:5:189212:227207:226064,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2cccc3c2OCCC3=O)c1,BPRBXBGKLFXSJU-UHFFFAOYSA-N
rxn:5:189212:227657:226084,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCCC3)c(-c2ccc(N3CCOCC3)s2)c1,VHXVLPAJTOKTPL-UHFFFAOYSA-N
rxn:5:189212:227722:225598,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(CN3CCSCC3)c2)c(-c2cccc(SC(F)(F)F)c2)c1,SKEBJLMXYNUTMB-UHFFFAOYSA-N
rxn:5:189212:228317:226415,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2N2CCOCC2)cn1,WKPGFKLSZHGYCR-UHFFFAOYSA-N
rxn:5:189212:228894:225874,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c(N3CCOCC3)c2)c(-c2ccccc2[N+](=O)[O-])c1,NEBJSPNBMNFAIT-UHFFFAOYSA-N
rxn:5:189321:223148:225588,CC(C)(C)OC(=O)c1nc(-c2ccccc2C2CNCCO2)ccc1-c1ccccc1CN1CCSCC1,ASZDSAYFMHNFOK-UHFFFAOYSA-N
rxn:5:189323:223054:225597,CC(c1ccc(-c2cnc(-c3ccc(OC4CCCCC4)nc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,REJXPGAXEPHEHS-UHFFFAOYSA-N
rxn:5:189539:225639:222404,CC1CCN(c2ncccc2-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc(C3NC(=O)NC3=O)cc2)CC1,OCGAUOZFIBHVBB-UHFFFAOYSA-N
rxn:5:189540:223010:226415,COC1CN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2ccccc2N2CCOCC2)C1,PRVBOYKRVPYYBS-UHFFFAOYSA-N
rxn:5:189662:225499:227301,CN(C)Cc1cc(F)ccc1-c1ncc(-c2ccc(C3CCCCC3)cc2F)cc1OCC1CCOCC1,FZHFHESGMVDWPC-UHFFFAOYSA-N
rxn:5:189666:226054:226685,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cnc(C3CCOCC3)nc2)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)c1,SFBXRCJNZQLNNO-MUUOHCGTSA-N
rxn:5:189674:226144:225395,CC(C)(C)c1cc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3ccc(C#C[Si](C)(C)C)cc3)c2)cc(C2CC2)c1,BNOJWODBDVBZRT-XBQJKBNESA-N
rxn:5:189676:226085:223002,CC1(C)CCc2cc(-c3cc(CC(=O)N4CCCC4)ccc3-c3ccc(C4CCNCC4)cc3F)ccc2O1,DUBXAQZCEBBHCX-UHFFFAOYSA-N
rxn:5:189676:227404:225833,O=C(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(N3CCCCC3)cs2)c1)N1CCCC1,VPUFFUYLKONPHQ-UHFFFAOYSA-N
rxn:5:189826:222986:227893,Cc1cc(-c2cc(-c3cccc(CN(C)C)c3)ccc2CC(=O)N2CCOCC2)cc(C2CCCNC2)n1,LOIFQTQYBILVOD-UHFFFAOYSA-N
rxn:5:189826:228150:225871,COC(=O)c1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2CC(=O)N2CCOCC2)cc1,XUKXOPMZENEGOD-UHFFFAOYSA-N
rxn:5:189827:228454:222996,COc1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc(F)cc2C2CCCNC2)c(OC)nn1,ABKRJYISDWDTJH-UHFFFAOYSA-N
rxn:5:189829:226428:228867,CCc1nc(OC)c(-c2cc(C(=O)N3CCCC3)cc(-c3cc(N4CCCCC4C)cs3)c2OC)s1,GLCRLHVIKSTDOA-UHFFFAOYSA-N
rxn:5:189952:222417:225881,COc1c(-c2ccc(C3CCOCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,CATLQPOADLJXNZ-UHFFFAOYSA-N
rxn:5:189952:222417:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,REDNUELPGQNCLJ-UHFFFAOYSA-N
rxn:5:189952:226461:226028,COc1c(-c2ccc(C(F)(F)F)c(C#N)c2F)cc(C(=O)N2CCOCC2)cc1-c1cncc2c1ccn2C(C)=O,OJZUFUUVRHHKJE-UHFFFAOYSA-N
rxn:5:189952:226644:225976,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,BGIAMCOXYZZTGF-UHFFFAOYSA-N
rxn:5:189952:226645:225976,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,AZZSNMJNBPOUIJ-UHFFFAOYSA-N
rxn:5:189952:227316:226364,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,VASZDOBPVWNYCE-UHFFFAOYSA-N
rxn:5:190131:228502:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2nn(C)cc2C(F)(F)F)c1OC,QGEOUKFEFRGKTQ-UHFFFAOYSA-N
rxn:5:190132:225985:228158,CCOc1cc(F)cc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C(=O)N2CCC(OC)CC2)c1,SKFIGHBDQZZZNL-UHFFFAOYSA-N
rxn:5:190132:226146:228155,COc1ccc(-c2cc(-c3ccc(SC4CCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)cc1OC,DZHMSONEZCTJEP-UHFFFAOYSA-N
rxn:5:190177:227552:222993,O=C1CC(Sc2ccc(-c3cccc(N4CCCCC4O)c3)cc2)C(=O)N1c1ccc(-c2ccccc2CC(F)(F)F)cc1,YUMAWGKWNSCOBC-UHFFFAOYSA-N
rxn:5:190195:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,DSXLKMVWTPTXNZ-UHFFFAOYSA-N
rxn:5:190195:223061:226664,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cc(N3CCCC3)ncc2F)c1)C1CCOCC1,ZVTCSVGHFHOFMM-UHFFFAOYSA-N
rxn:5:190195:223113:223056,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCC(O)CC3)nc2)c1)C1CCOCC1,KXWTUPGPRAGYNU-UHFFFAOYSA-N
rxn:5:190195:225441:227546,COC(=O)c1cccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cc(C3CC3)cnc2C(C)(C)C)c1F,RQJWRNUNXBNLEG-UHFFFAOYSA-N
rxn:5:190195:226679:226644,CN(Cc1ccc(-c2cnc(N3CCCC3)cc2F)c(-c2cncc(N3CCOCC3)c2)c1)C1CCOCC1,VAPSPZYFOKVAGH-UHFFFAOYSA-N
rxn:5:190196:222417:225590,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCCC3)c(F)c2)c1,MEHKZKXBIOHKPQ-UHFFFAOYSA-N
rxn:5:190197:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,SNPZQSDZNLJOBV-UHFFFAOYSA-N
rxn:5:190197:226571:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnn(CC2CCOCC2)c1)C1CCOCC1,LOAORCJVDITEFY-UHFFFAOYSA-N
rxn:5:190198:226420:225639,CC1CCN(c2ncccc2-c2cccc(-c3ccc(F)c(N4CCCC4)c3)c2CN(C)C2CCOCC2)CC1,IXNQPTNQNHKLLZ-UHFFFAOYSA-N
rxn:5:190199:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)cc1CN(C)C1CCOCC1,XWYXUNJZUFCVPB-UHFFFAOYSA-N
rxn:5:190199:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,BAIUUMLCAUEXRZ-UHFFFAOYSA-N
rxn:5:190199:225881:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(C2CCOCC2)nc1F)C1CCOCC1,UNFIYRTZEYBWEY-UHFFFAOYSA-N
rxn:5:190199:228009:225641,CC1CCCN(c2cc(-c3ccc(-c4ccc(C5CC5)c(F)c4)c(CN(C)C4CCOCC4)c3)ccn2)C1,IMQNNRWAYHGWPC-UHFFFAOYSA-N
rxn:5:190201:223113:223062,CC1CN(CCc2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cnc(C3CCNCC3)cc2F)CCO1,YBTHAMIFVLDELA-UHFFFAOYSA-N
rxn:5:190231:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LUSXXLHVJVSTCH-UHFFFAOYSA-N
rxn:5:190231:227346:228211,CCCc1cc(F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cc(N4CCCC4)cs3)c2OC)c(F)c1,QPFOSRJDWNWBQA-UHFFFAOYSA-N
rxn:5:190264:223251:227748,CC1CCN(C(=O)Cc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(-c3ccc4c(c3)OCC(=O)N4)c2)CC1,LHHQWEMWQYQKNK-UHFFFAOYSA-N
rxn:5:190264:226466:228120,CCOc1ncc(C)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)OCC(=O)N2C,XCLGIKLAGOJJMX-UHFFFAOYSA-N
rxn:5:190265:226135:228490,Cc1cc(C#N)c(C2CC2)cc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)F)c1,VKOVFGNTYOXCCQ-UHFFFAOYSA-N
rxn:5:190265:227724:225595,CC1CCCN(C(=O)Cc2ccc(-c3ccc(F)c(CN4CCCC4)c3)c(-c3cc(OC(F)F)ccc3F)c2)C1,CAAGTDGKMKXSTP-UHFFFAOYSA-N
rxn:5:190265:228972:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cc(C(F)(F)F)cs3)c2)C1,WFLYODBZJRMSHP-UHFFFAOYSA-N
rxn:5:190299:223284:227682,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3cc(C#N)cc([N+](=O)[O-])c3)cc2)C1=O,JUILPQQMJRKFGN-UHFFFAOYSA-N
rxn:5:190299:227682:223284,COc1ccc(-c2cc(C#N)cc([N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)C1=O,GTOXDOBXFWRFNK-UHFFFAOYSA-N
rxn:5:190309:226900:227552,CC1CCCCN1CCc1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccccc1CC(F)(F)F,SUMRJSZCVIWJAZ-UHFFFAOYSA-N
rxn:5:190336:226751:226189,COc1c(-c2ccc(C3CCCC3)c(F)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(OC(F)(F)F)cc1C,WZOMREURFXVRSF-UHFFFAOYSA-N
rxn:5:190336:227680:223001,COc1c(-c2cc(C3CCCNC3)ccc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1cccc2c1OC(F)(F)O2,JMTVQHOJTGWBBX-UHFFFAOYSA-N
rxn:5:190337:223188:226150,CNc1cc(C(F)(F)F)c(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccc(SC4CCCC4)c3)c2OC)cn1,CFYIBTOARZLRFU-UHFFFAOYSA-N
rxn:5:190353:225462:226901,CC1CCN(c2cccc(-c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)c(C(=O)N4CCC(c5ccccc5)C4)c3)c2)CC1,PONGJEPEYPIMIA-UHFFFAOYSA-N
rxn:5:190404:226135:227288,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(C(=O)N2CCSC(c3ccccc3-c3ccccc3C(=O)N(C)C)CC2)o1,MDUNEDKRDOLJNW-UHFFFAOYSA-N
rxn:5:190459:225395:226350,COC(=O)c1c(C)ccc(-c2ccccc2C2CCN(C(=O)c3ccccc3-c3cc(C4CC4)cc(C(C)(C)C)c3)CCS2)c1C,APLYEBKJKBNANJ-UHFFFAOYSA-N
rxn:5:190484:226331:226201,CC(C)n1cc2cc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5ccc(C6(C#N)CC6)cc5F)c4)CCS3(=O)=O)ccc2n1,GYGYSSMZECVYEC-UHFFFAOYSA-N
rxn:5:190484:226901:227021,N#CC1(c2ccc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5cccc(S(F)(F)(F)(F)F)c5)c4)CCS3(=O)=O)cc2)CC1,ZYNPVKIEPTVXPO-UHFFFAOYSA-N
rxn:5:190484:228500:227203,O=C(c1cccc(-c2cnc(C(F)(F)F)nc2)c1)N1CCC(c2ccccc2-c2ccc3c(c2)OCCCO3)S(=O)(=O)CC1,HPZSGDDINHFJEB-UHFFFAOYSA-N
rxn:5:190484:228986:225880,Cc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCOCC5)ncc4F)S(=O)(=O)CC3)c2)c1C,MOQVKZWBXJMCIE-UHFFFAOYSA-N
rxn:5:190740:223061:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,RTSBIJQJSRXJHP-UHFFFAOYSA-N
rxn:5:190740:225833:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,YZVLHKWJPCJCGW-UHFFFAOYSA-N
rxn:5:190740:225976:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,SWBGQAZPJFKNMS-UHFFFAOYSA-N
rxn:5:190741:225849:223056,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,DAQYWQWJQKYPOD-UHFFFAOYSA-N
rxn:5:190742:223065:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccc(CN2CCSCC2)c1,PUYUGBSTDXSTHB-UHFFFAOYSA-N
rxn:5:190742:225633:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCCCCC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,ZLDZXMKHJFYVFH-UHFFFAOYSA-N
rxn:5:190742:225803:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1ccc(N2CCOCC2)nc1F,JTRWMEGIKKQENE-UHFFFAOYSA-N
rxn:5:190742:225833:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccc(CN2CCOCC2)nc1,IZKPQEBBTDJIMJ-UHFFFAOYSA-N
rxn:5:190742:225834:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1cnc(C2CCNCC2)cc1F,SBFXQECOXYNMHH-UHFFFAOYSA-N
rxn:5:190742:225834:225881,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2CCOCC2)nc1F,ZJQHOVWEPXXFPO-UHFFFAOYSA-N
rxn:5:190742:225976:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(F)c(C2CCNCC2)c1,RZTKEKFMDFSUPW-UHFFFAOYSA-N
rxn:5:190742:226571:225655,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,FWNRQJKJKZXSKN-UHFFFAOYSA-N
rxn:5:190743:225655:225980,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,DJRXVYJWMJTJIN-UHFFFAOYSA-N
rxn:5:190743:225980:225784,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,RATZCTCMNBUKQL-UHFFFAOYSA-N
rxn:5:190744:223064:225833,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,YYNBMEDXIIOTIG-UHFFFAOYSA-N
rxn:5:190744:225834:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,FKQOHNJBPXIQGR-UHFFFAOYSA-N
rxn:5:190833:223250:228275,COc1c(F)cc(C)cc1-c1ccc(-c2ccc3c(c2)NC(=O)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,SUHRLHUURILEFM-UHFFFAOYSA-N
rxn:5:190993:227336:225809,CC(C)Oc1cc(F)ccc1-c1ccc2c(c1)CN(CCc1ccc(-c3cc(F)ccc3OC3CCOC3)cc1)C(=O)CO2,OSEHDOABHXLLSC-UHFFFAOYSA-N
rxn:5:190998:223141:226664,COC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,PTIMPKRWWKWJDQ-UHFFFAOYSA-N
rxn:5:190998:225849:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,JKMTXHMVSWRVNT-UHFFFAOYSA-N
rxn:5:191026:228260:227023,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(C(C)N(C)C)cc3)c2)c2cc(-c3cccc(C(C)(F)F)c3)ccc2S1(=O)=O,FNKDCDDEHQGJNS-UHFFFAOYSA-N
rxn:5:191049:223065:228703,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnn(C2CCC2)c1,OZVMNJADHKUHLU-UHFFFAOYSA-N
rxn:5:191049:225451:226583,COc1cc(N2Cc3cc(-c4ccc(SC5CCCCC5)cc4)ccc3OCC2=O)c(OC)cc1-c1ccc(CN2CCOCC2)s1,UAQFHBIUFRCHLB-UHFFFAOYSA-N
rxn:5:191049:225834:223065,COc1cc(N2Cc3cc(-c4cc(N5CCCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,CNFVBRGJCTXXDE-UHFFFAOYSA-N
rxn:5:191049:225976:227684,COc1cc(N2Cc3cc(-c4ccnc(N5CCOCC5)c4F)ccc3OCC2=O)c(OC)cc1-c1cnn(CC2OCCO2)c1,LRQCTNUARVVZJD-UHFFFAOYSA-N
rxn:5:191945:225942:226837,CC(=O)c1cc(-c2cnc(C(C)C)c(C(F)(F)F)c2)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-],RUIYQNBTTPUMKI-UHFFFAOYSA-N
rxn:5:192236:225927:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,UUCNGFYLJKPPHK-UHFFFAOYSA-N
rxn:5:192236:225927:225798,COc1cc(-c2ccc(OC3CCOCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)ccc1N(C)C,QZGZTRFVOPGPBQ-UHFFFAOYSA-N
rxn:5:192880:225927:226040,Cc1c(-c2c(-c3cc(C(F)(F)F)ccc3N(C)C)ccnc2OC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],YHCKXZUJFMQSFX-UHFFFAOYSA-N
rxn:5:192882:225927:226040,Cc1c(-c2cc(-c3cc(C(F)(F)F)ccc3N(C)C)cnc2OC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-],FEEWKVXLWTZHGF-UHFFFAOYSA-N
rxn:5:193053:225654:225870,CC1CCCN(c2ccc(-c3cc(C(=O)N4CCCC4)cc(-c4cc(F)cc(N5CCOCC5)c4)c3)cn2)C1,DHDGQMLSQJMJBS-UHFFFAOYSA-N
rxn:5:193226:223006:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(C(=O)N2CCOCC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,NLJCXHJTVDPNPZ-UHFFFAOYSA-N
rxn:5:193226:223061:225803,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(OC3CCOCC3)c2)c1)N1CCOCC1,VFEOPABVXRSEON-UHFFFAOYSA-N
rxn:5:193226:223062:225590,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCCC3)c(F)c2)c1)N1CCOCC1,QCKREAVVMYTWQO-UHFFFAOYSA-N
rxn:5:193226:223062:226571,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cnn(CC3CCOCC3)c2)c1)N1CCOCC1,CNSOWMODFMTAFA-UHFFFAOYSA-N
rxn:5:193226:226645:223006,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,LPXWKJUYNRTOIH-UHFFFAOYSA-N
rxn:5:193227:227316:223065,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(N4CCNCC4)cc3F)c2)cc(F)n1,AAKQWYBJBKKYFW-UHFFFAOYSA-N
rxn:5:193229:225871:226332,O=C(c1ccccc1-c1c(C(=O)N2CCOCC2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1)N1CCC1,LHLXRFJYEMLUHA-UHFFFAOYSA-N
rxn:5:193229:226571:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2cnn(CC3CCOCC3)c2)cc(F)n1,RBXACDKITUDERI-UHFFFAOYSA-N
rxn:5:193229:226644:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3cncc(N4CCOCC4)c3)c2)CC1,KYHKYGTUMJVCTQ-UHFFFAOYSA-N
rxn:5:193229:226837:223389,Cc1n[nH]c(C(F)(F)F)c1-c1c(C(=O)N2CCOCC2)cccc1-c1c(C)nn(CC(F)(F)F)c1C,FHZHCJPESGAAJA-UHFFFAOYSA-N
rxn:5:193230:226593:226062,CC(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)c(-c3cc(C(C)C)cc(C(C)C)c3)c2)c1F,CUDVAFLTMLTRGL-UHFFFAOYSA-N
rxn:5:193230:227379:223065,O=C(c1ccc(-c2cccnc2N2CCCC2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,SCRCHZWDTUCCSM-UHFFFAOYSA-N
rxn:5:193230:227452:225823,CC(C)c1cc(-c2cc(-c3cccc(C4OCCO4)c3)ccc2C(=O)N2CCOCC2)cc(C(F)(F)F)c1,KNGZWYVTVMMCRP-UHFFFAOYSA-N
rxn:5:193329:225927:222409,COc1ccc(-c2c(-c3cc(C(F)(F)F)ccc3N(C)C)ccnc2OC2CCCCC2)cc1S(N)(=O)=O,YQVBXRMADZOQOF-UHFFFAOYSA-N
rxn:5:193382:227081:225985,O=S1(=O)CCCN1c1cccc(-c2cc(-c3ccc(N4CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,HVKMQRRCTBRBOL-UHFFFAOYSA-N
rxn:5:193382:228703:225980,O=S(=O)(c1ccc(-c2cnn(C3CCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,RHWUVBQJAYYCBU-UHFFFAOYSA-N
rxn:5:193459:225583:225821,O=C(c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1)N1CCCCC1,XDFUBIFIJXPSGZ-UHFFFAOYSA-N
rxn:5:193460:226900:225822,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cccc(C(F)(F)F)c1C1CC1)N1CCCCC1,SMVIGTDGOSPDQZ-UHFFFAOYSA-N
rxn:5:193461:226837:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc(-c2c(C)nn(CC(F)(F)F)c2C)ccc1C(=O)N1CCCCC1,DVOSFPJMZVTXIN-UHFFFAOYSA-N
rxn:5:193462:227404:226900,O=C1CCN(Cc2cc(-c3cc(N4CCCCC4)cs3)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)CC1,ITNNSBWOZHGDHN-UHFFFAOYSA-N
rxn:5:193465:225450:227552,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2CC(F)(F)F)c1-c1ccc(C(=O)C2CCCC2)cc1,IJUUTCLELZNIHB-NRFANRHFSA-N
rxn:5:193465:225986:227709,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O,LLUXXMVWCUBXLW-IBGZPJMESA-N
rxn:5:193465:225986:228502,C[C@H]1CCCN1C(=O)c1cccc(-c2nn(C)cc2C(F)(F)F)c1-c1ccccc1N1CCCS1(=O)=O,IKXYEUYAIRPKOC-KRWDZBQOSA-N
rxn:5:193465:226031:227207,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc3c2OCCC3=O)c1-c1ccc(C(F)(F)F)cc1C(F)F,PFVYRKBUGQSAOZ-INIZCTEOSA-N
rxn:5:193465:227386:226900,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1-c1cnn(C2CCCCC2)c1,HVJMAMIBVQINEL-IBGZPJMESA-N
rxn:5:193465:227755:225985,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1cc(C(F)(F)F)ccc1F,KYHPNWHFYOFOCP-SFHVURJKSA-N
rxn:5:193465:227756:225450,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)C3CCCC3)cc2)c1-c1c(F)cccc1C(F)(F)F,YBIXLPGPRYLCHQ-IBGZPJMESA-N
rxn:5:193465:228497:225987,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1-c1ccnn1CC(F)(F)F,IPLYUFOICRCVFZ-SFHVURJKSA-N
rxn:5:193467:225498:227552,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2CC(F)(F)F)ccc1-c1cc(C2CCCCC2)ccc1F,VXSJKWJOMVHDON-NRFANRHFSA-N
rxn:5:193467:226042:226131,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2CN2CCCC2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,UUMFNASJNXQCRH-FQEVSTJZSA-N
rxn:5:193467:226042:227709,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MGCCZDFYHMYQCA-HNNXBMFYSA-N
rxn:5:193467:226046:227683,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C#N)cc2[N+](=O)[O-])ccc1-c1ccnc(C(F)(F)C(F)(F)F)c1,LXFYMJGYEXWNPL-HNNXBMFYSA-N
rxn:5:193467:226049:223251,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCC(=O)N3)ccc1-c1cc(F)c(OC(F)(F)F)c(F)c1,RAESZVAFXCWDRV-AWEZNQCLSA-N
rxn:5:193467:226333:225871,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1cccc(C(=O)N2CCC2)c1,LLKJXDPGKVANIK-NRFANRHFSA-N
rxn:5:193467:227081:226041,C[C@H]1CCCN1C(=O)c1cc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1-c1ccc(N2CCCC2)cc1,NHUMSFITTSTCGF-IBGZPJMESA-N
rxn:5:193467:227563:222993,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCCCC3O)c2)ccc1-c1cccc(CC(F)(F)F)c1,RKGWVFBXMWAMBU-TYKNXJODSA-N
rxn:5:193467:227709:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccc(OC(F)(F)F)c1,DRGBRQFZOXQOGA-IBGZPJMESA-N
rxn:5:193467:227752:225584,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1ccc(C(F)(F)F)cc1F,CZTKGJDMYRKBIF-IBGZPJMESA-N
rxn:5:193468:225584:226741,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1cc(C(F)(F)F)ccc1C#N,DHHWFVFSWMXJOF-FQEVSTJZSA-N
rxn:5:193468:225816:226779,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C(F)(F)F)cc2)cccc1-c1cc(C2CC2)ccc1C(F)(F)F,DNFRCYHCBVKXJE-KRWDZBQOSA-N
rxn:5:193468:225985:226887,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)cccc1-c1ccc(F)c(C(F)(F)F)c1F,ZJDOQOIPHHSRDT-KRWDZBQOSA-N
rxn:5:193468:225986:226880,C[C@H]1CCCN1C(=O)c1c(-c2cc(F)c(F)c(C(F)(F)F)c2)cccc1-c1ccccc1N1CCCS1(=O)=O,PGLNLWAOGMDMCQ-KRWDZBQOSA-N
rxn:5:193468:226028:223250,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)NC(=O)CO3)cccc1-c1ccc(C(F)(F)F)c(C#N)c1F,HQMFBTIFDYMMCQ-HNNXBMFYSA-N
rxn:5:193468:226042:222404,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3NC(=O)NC3=O)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,UGKAJDOQOABRIQ-FZADBTJQSA-N
rxn:5:193468:226042:226779,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C(=O)C(F)(F)F)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,JLCKIDBSLSMPSO-HNNXBMFYSA-N
rxn:5:193468:226046:223270,CC(=O)Nc1cc(F)ccc1-c1cccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c1C(=O)N1CCC[C@@H]1C,NKRWEXBYRVOFGP-HNNXBMFYSA-N
rxn:5:193468:226064:226740,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1cccc(C(F)(F)F)c1C#N,DZAUARADYOFECN-NRFANRHFSA-N
rxn:5:193468:226069:226900,C[C@H]1CCCN1C(=O)c1c(-c2ccc(S(F)(F)(F)(F)F)cc2)cccc1-c1cccc(C2CCCCC2)c1,UEMIPZWMZANEFB-NRFANRHFSA-N
rxn:5:193469:225616:227761,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)cc1-c1ccc(F)cc1C(F)(F)F,QBQUFSOPLDGQLH-LJQANCHMSA-N
rxn:5:193469:226469:226738,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccc2C(=O)N2CCC[C@H]2C)c([N+](=O)[O-])c1,JGCIBJNNPHUTBX-QGZVFWFLSA-N
rxn:5:193506:223389:227497,Cc1nc(OC(C)C)ncc1-c1cc(-c2c(C)n[nH]c2C(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,OPRCTTOVBAOTTE-UHFFFAOYSA-N
rxn:5:193506:226415:227804,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3N3CCOCC3)cc2-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])CC1,FFSNRGXERHBNQB-UHFFFAOYSA-N
rxn:5:193506:226654:228500,CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cnc(C(F)(F)F)nc4)c3)cs2)CC1,JGIAJQSOGSZTKR-UHFFFAOYSA-N
rxn:5:193506:226854:223148,COc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)c1[N+](=O)[O-],NVIFHTBRQAARKO-UHFFFAOYSA-N
rxn:5:193506:226900:228437,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2ccc(C(F)F)cc2F)CC1,SUSTUORGYAHMHW-UHFFFAOYSA-N
rxn:5:193506:227203:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1S(=O)(=O)N1CCC(=O)CC1,QXNWZWTUCAIEHW-UHFFFAOYSA-N
rxn:5:193506:227497:228200,Cc1nc(OC(C)C)ncc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnn2C2CCCC2)c1,ODOOKYDKRDHKRQ-UHFFFAOYSA-N
rxn:5:193506:228497:226654,CC1CCN(c2nc(-c3cc(-c4ccnn4CC(F)(F)F)ccc3S(=O)(=O)N3CCC(=O)CC3)cs2)CC1,KZMPURNQYYKCOR-UHFFFAOYSA-N
rxn:5:193537:225924:226899,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1c(CN2CCCCC2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],JJCZLWDIWKSPLG-UHFFFAOYSA-N
rxn:5:193537:226464:225884,COc1ccc2c(c1-c1c(CN3CCCCC3)cccc1-c1ccc(C3COCCO3)c(F)c1)OCCO2,BMRABFXYSBBUMH-UHFFFAOYSA-N
rxn:5:193538:225884:226464,COc1ccc2c(c1-c1ccc(CN3CCCCC3)cc1-c1ccc(C3COCCO3)c(F)c1)OCCO2,JNGQMFRTYSSSNA-UHFFFAOYSA-N
rxn:5:193539:225884:226464,COc1ccc2c(c1-c1cc(CN3CCCCC3)ccc1-c1ccc(C3COCCO3)c(F)c1)OCCO2,ZITIXRJJFSJLGE-UHFFFAOYSA-N
rxn:5:193540:225926:226172,Cc1ccc(N2CCCC2)cc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1CN1CCCCC1,UTOZKZBBSCTGFR-UHFFFAOYSA-N
rxn:5:193541:225447:225583,O=C(c1cccc(-c2cc(CN3CCCCC3)cc(-c3ccc(OC4CCCCC4)cc3)c2)c1)N1CCCC1,LLEZGRBARWRXRT-UHFFFAOYSA-N
rxn:5:193541:226464:225884,COc1ccc2c(c1-c1cc(CN3CCCCC3)cc(-c3ccc(C4COCCO4)c(F)c3)c1)OCCO2,VHYQTZPCSVVGGU-UHFFFAOYSA-N
rxn:5:193710:223148:225833,O=C1C(=Cc2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)SC(=S)N1c1cccc(-c2ccccc2C2CNCCO2)c1,WOFVOECADHISJP-UHFFFAOYSA-N
rxn:5:193711:225939:226901,CC(C)c1cc(-c2ccc(N3C(=O)C(=Cc4ccccc4-c4cccc(S(F)(F)(F)(F)F)c4)SC3=S)cc2)cnc1C(F)(F)F,NIWXEZJKPNQPEV-UHFFFAOYSA-N
rxn:5:193711:226040:223295,Cc1c(-c2ccc(N3C(=O)C(=Cc4ccccc4-c4cncc(NS(C)(=O)=O)c4)SC3=S)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],MFASTXJYAWGNOH-UHFFFAOYSA-N
rxn:5:193749:227339:222409,COC(=O)c1cc(C)ccc1-c1ccc(-c2ccc(OC)c(S(N)(=O)=O)c2)c(C(=O)N2CCCCC2C)c1,OFSIGAJQIIDWPS-UHFFFAOYSA-N
rxn:5:193751:227108:225637,CC1CCCN(C(=O)c2cc(-c3ccccc3N3CCN(C)CC3)ccc2-c2cc(C3CCC3)ccc2F)C1,NIOUBUALXOTTBZ-UHFFFAOYSA-N
rxn:5:193753:225655:227448,CC1CCN(c2cncc(-c3cc(C(=O)N4CCCCC4C)cc(-c4ccc(C5COC5)c(F)c4)c3)c2)CC1,YXFAAWYGTTYCPC-UHFFFAOYSA-N
rxn:5:193753:226867:226911,CCc1cc(C)cc(CC)c1-c1cc(C(=O)N2CCCCC2C)cc(-c2c(F)cccc2OC(F)(F)F)c1,HWDXWDAVVGVXGY-UHFFFAOYSA-N
rxn:5:193754:226900:227119,CC1CCN(C(=O)c2cccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c2-c2cc(C3CCCCC3)cs2)CC1,OMJNCLQNMHJSFT-UHFFFAOYSA-N
rxn:5:193755:226900:227450,CC1CCCN(C(=O)c2cccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c2-c2cccc(C3CC3(F)F)c2)C1,JFRWUCAQUDZZJM-UHFFFAOYSA-N
rxn:5:193756:227560:226852,COc1ccc(-c2ccc(C(=O)N3CCCCC3C)c(-c3cnc(OC)c(C(F)(F)F)c3)c2)cc1C(F)F,CBIBNOAZLNFIKM-UHFFFAOYSA-N
rxn:5:193807:226573:226446,Cc1nc(C2CCOC2)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1cnc(OC(C)(C)C)nc1C,KXKASZVAXXUKJI-UHFFFAOYSA-N
rxn:5:193809:226864:225597,CC1CCN(Cc2ccc(-c3cc(F)c(OC(F)F)c(F)c3)cc2-c2ccc(OC3CCCCC3)nc2)CC1,QMKDBRKPDAWMPJ-UHFFFAOYSA-N
rxn:5:193809:226901:226146,CC1CCN(Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2ccc(SC3CCCC3)cc2)CC1,NUQBVNNDRFNLGD-UHFFFAOYSA-N
rxn:5:193866:226319:227377,O=C1CCN(C2(c3ccc(-c4ccc(C(=O)N5CCC5)cc4)c(-c4cncnc4C4CCCC4)c3)CC2)CC1,KLFDMJQCIIYGAT-UHFFFAOYSA-N
rxn:5:193867:225641:225927,CC1CCCN(c2cc(-c3cc(-c4cc(C(F)(F)F)ccc4N(C)C)cc(C4(N5CCC(=O)CC5)CC4)c3)ccn2)C1,WJSNMJDTILXEGO-UHFFFAOYSA-N
rxn:5:193868:223264:227344,CNC(=O)c1cc(-c2ccc(-c3ccc(OC(C)C)c(F)c3)c(C(=O)N3CC(C)OC(C)C3)c2)ccc1F,GPXPMTIJFPYMQC-UHFFFAOYSA-N
rxn:5:193868:225818:228102,CC(C)Cc1ncncc1-c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)cc1C(=O)N1CC(C)OC(C)C1,ZKLWQLMNVAUVPL-UHFFFAOYSA-N
rxn:5:193869:227390:227660,Cc1ccc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnn2C2CCCCC2)cc1C,BHRBICMXIDSEGS-UHFFFAOYSA-N
rxn:5:193870:226137:226335,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3COC3)c(C#N)c2)cc1-c1cc(C2CC2)cnc1C(C)C,RMHJRPFZPCXJRO-UHFFFAOYSA-N
rxn:5:193870:226836:228292,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnc3c2OCCO3)cc1-c1cn(C(C)C)nc1C(F)(F)F,XQPUICABAZBNQE-UHFFFAOYSA-N
rxn:5:193870:228283:225814,CC(=O)c1cc(F)ccc1-c1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,HSWLQPSSBPNXHQ-UHFFFAOYSA-N
rxn:5:193870:228460:227766,CCn1nc(C(F)(F)F)cc1-c1cc(-c2c(OC)ncnc2OC)c(C)cc1S(=O)(=O)N1CCCCC1,WFSXGAVJIHPJEJ-UHFFFAOYSA-N
rxn:5:193870:228502:228195,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(C(C)(C)C)nc2C)cc1-c1nn(C)cc1C(F)(F)F,JJMVFOZOQXQGSD-UHFFFAOYSA-N
rxn:5:193871:227033:227416,N#Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(F)nc(C3CCC3)c2)ccc1C1CC1,OJOHUUXJJSKRTK-UHFFFAOYSA-N
rxn:5:193872:227451:223065,O=C(c1ccc(-c2ccc(C3CC3(F)F)cc2)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCC2(CC1)CC2,ASONXEKNCKNAEV-UHFFFAOYSA-N
rxn:5:193872:227667:227446,CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc(C3OCCO3)cc2)c1F,LRJCJWKEWMOMKT-UHFFFAOYSA-N
rxn:5:193912:223002:227724,O=C1CS(=O)C(c2ccc(-c3cc(OC(F)F)ccc3F)cc2)C(=O)N1c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1,MSQRJQCRHYVQIN-UHFFFAOYSA-N
rxn:5:193912:225594:227351,COC(=O)c1c(C)cccc1-c1ccc(C2C(=O)N(c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)C(=O)CS2=O)cc1,LIEZLRNUAJPQKJ-UHFFFAOYSA-N
rxn:5:193932:223341:226900,CC1CC(C)CN(C(=O)c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3ccc4c(c3)CC(=O)N4)c2)C1,SSSJXZSPFGRICT-UHFFFAOYSA-N
rxn:5:193932:226901:227812,CC(C)Cc1cccc(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,KPSNUEJGVZZPHL-UHFFFAOYSA-N
rxn:5:193932:227089:225820,CC1CC(C)CN(C(=O)c2ccc(-c3c(C4CC4)cccc3C(F)(F)F)c(-c3ccncc3C3CCCC3)c2)C1,KMUMEOSCVCOPFL-UHFFFAOYSA-N
rxn:5:193932:227825:226901,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc(C4CCC4)c3)c2)C1,XZOVLORIVCLHCU-UHFFFAOYSA-N
rxn:5:193932:227895:226333,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(C(=O)N4CCC4)c3)c(-c3ccc(C=CC#N)cc3)c2)C1,PGPJXIGIWAEEQR-UHFFFAOYSA-N
rxn:5:193967:223389:228867,CCc1nc(OC)c(-c2cc(-c3c(C)n[nH]c3C(F)(F)F)ccc2CN2CCC3(CC2)OCCO3)s1,DRNVAOXNCHHJEX-UHFFFAOYSA-N
rxn:5:193967:226464:228062,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cncc4c3CCCO4)c1)OCCO2,ILCRADQPFLQICC-UHFFFAOYSA-N
rxn:5:193967:226464:228530,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)OCC4)c1)OCCO2,ACZIHUQKRYNOID-UHFFFAOYSA-N
rxn:5:193967:227767:228455,CCn1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cnc(OC)nc3OC)c2)c(C(F)(F)F)n1,RFTLEDKBGBEXMM-UHFFFAOYSA-N
rxn:5:193967:227808:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)CCCC3)ccc1CN1CCC2(CC1)OCCO2,RARPFZQRLKPONK-UHFFFAOYSA-N
rxn:5:193967:228292:226464,COc1ccc2c(c1-c1cc(-c3ccnc4c3OCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,GXDGVLLOHZAMBY-UHFFFAOYSA-N
rxn:5:193968:223306:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CNCC4)cc1CN1CCC3(CC1)OCCO3)OCCO2,YYOCXASXSHQUEI-UHFFFAOYSA-N
rxn:5:193968:226464:222991,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,ICUYXQOIVSDCOK-UHFFFAOYSA-N
rxn:5:193968:227962:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(-c2cc(C)nc(C3CC3)c2)cc1CN1CCC2(CC1)OCCO2,OFKZKEIKURGVIE-UHFFFAOYSA-N
rxn:5:193968:228292:226464,COc1ccc2c(c1-c1ccc(-c3ccnc4c3OCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,HLEDVYSZRDJBMD-UHFFFAOYSA-N
rxn:5:193972:223352:225938,Cc1cc(-c2ccc(NC(C)C)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cc(C(F)(F)F)ncc1C1CC1,MLMSVUMLZGYPOK-UHFFFAOYSA-N
rxn:5:193972:226837:228653,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCCC2,FLGBKOSAOXAAQC-UHFFFAOYSA-N
rxn:5:193972:227680:223438,Cc1cc(-c2cccc3c2OC(F)(F)O3)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn[nH]c1C(F)(F)F,VLGJJKIKLIAUDF-UHFFFAOYSA-N
rxn:5:193972:227954:227047,Cc1cc(-c2ccc(C3CCC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(SC2CCC2)c1,INAMNFXXCZVMQN-UHFFFAOYSA-N
rxn:5:193972:228198:228502,Cc1cc(-c2cnc(C(C)C)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1nn(C)cc1C(F)(F)F,IJNHVJFONMTNMJ-UHFFFAOYSA-N
rxn:5:193972:229204:225652,CCc1sccc1-c1cc(C)c(-c2cncc(N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCCCCC1,HYBBBQMYSNDCEG-UHFFFAOYSA-N
rxn:5:194561:225661:228468,Cc1cc(N2CCOCC2)ccc1-c1ccc(-c2cncc([N+](=O)[O-])c2C)c(C(=O)N2C3CCC2COC3)c1,IFSQVMVGFRRAGL-UHFFFAOYSA-N
rxn:5:194561:226901:227755,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cc(C(F)(F)F)ccc1F)N1C2CCC1COC2,MBQNSQRIAQMFFA-UHFFFAOYSA-N
rxn:5:194688:223064:225849,COc1cc(-c2cnc(N3CCCCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(C4CCNCC4)nc3F)cc1)C2,QHOBJOMWOSZDQN-UHFFFAOYSA-N
rxn:5:194688:225976:227379,COc1cc(-c2cccnc2N2CCCC2)cc2c1OCC(=O)N(c1ccc(-c3ccnc(N4CCOCC4)c3F)cc1)C2,QBYASKGDLANTGG-UHFFFAOYSA-N
rxn:5:194688:226059:225872,COc1cc(-c2cc(F)c(F)c(N3CCCC3)c2)cc2c1OCC(=O)N(c1ccc(-c3ccc(C(C)C)cc3C(C)C)cc1)C2,XBPMJGUBLSNXMR-UHFFFAOYSA-N
rxn:5:194733:227663:227897,Cc1ccc(-c2ccc(-c3cccc(C=CC#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1C(F)(F)F,MOQQNZDPKAZEOK-UHFFFAOYSA-N
rxn:5:194733:228508:226901,CC(C)c1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,JNWFZCYCQFPFAR-UHFFFAOYSA-N
rxn:5:194767:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCOCC3)nc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,CPIQSQIWUQIVHJ-UHFFFAOYSA-N
rxn:5:194767:223061:223065,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3ccc(N4CCNCC4)cc3F)C2)c2ccccc21,JOBSBXSPXLBAAS-UHFFFAOYSA-N
rxn:5:194767:225834:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCCC5)ncc4F)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,VLTUNDVALMVFIW-UHFFFAOYSA-N
rxn:5:194767:225976:226644,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3-c3cncc(N4CCOCC4)c3)C2)c2ccccc21,KLAIHXGSRMKRTC-UHFFFAOYSA-N
rxn:5:194767:226366:226426,CC1CCN(c2ccc(-c3ccc(-c4ccnc(N5CCCCC5)c4)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)s2)CC1,FEXUZHGBLXYCMA-UHFFFAOYSA-N
rxn:5:194767:226794:225833,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCSCC5)nc4)ccc3-c3ccnc(N4CCCCC4)c3F)C2)c2ccccc21,LMUGAPUMQJUWHP-UHFFFAOYSA-N
rxn:5:194782:228818:225806,Cc1cc(-c2ccc(-c3cnc(OC4CCCC4)cc3F)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cn(C)c1=O,CEXFLTPPYHYPGS-UHFFFAOYSA-N
rxn:5:194782:228867:227714,CCc1nc(OC)c(-c2ccc(-c3ccc(SC(F)(F)F)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)s1,RRVSEVDIPHFRAK-UHFFFAOYSA-N
rxn:5:194791:226901:226065,O=C1C2C(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,RUHHQHFLXYBIBJ-UHFFFAOYSA-N
rxn:5:194791:227643:226794,O=C1C2C(c3ccc(-c4cnc(N5CCSCC5)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(-c2nccs2)nc1,ZDYUTLMXTSFYHH-UHFFFAOYSA-N
rxn:5:194791:228468:227117,Cc1cc(C2CC2)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cncc([N+](=O)[O-])c5C)C(=O)C34)cc2)c1F,LIWHKEIKUBBWHU-UHFFFAOYSA-N
rxn:5:194792:226579:227053,CN(C)C(=O)c1cc(F)cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccc(OC(C)(C)C)c6)cc5)C(=O)C34)cc2)c1,WFXUGSRGOWGQIA-UHFFFAOYSA-N
rxn:5:194792:226932:226130,Cc1ccc2ncc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccc(CN8CCCC8)cc7)cc6)C(=O)C45)cc3)cc2c1,WKIYDAVESLTSFL-UHFFFAOYSA-N
rxn:5:196408:223064:225928,Cc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCNCC4)nc3F)c2)cc1S(=O)(=O)N(C)C,GTFDAROBBVHTJN-UHFFFAOYSA-N
rxn:5:196408:223064:225929,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(C4CCNCC4)nc3F)c2)ccc1S(=O)(=O)N(C)C,BPILTJGQEBTTLK-UHFFFAOYSA-N
rxn:5:196408:225655:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2cncc(N3CCC(C)CC3)c2)c1,NDKRTGPTIQXVPA-UHFFFAOYSA-N
rxn:5:196408:225978:225928,Cc1ccc(-c2ccc(C3=NOCCO3)c(-c3ccc(N4CCOCC4)nc3F)c2)cc1S(=O)(=O)N(C)C,JNPPTCDYHKFZFS-UHFFFAOYSA-N
rxn:5:196408:225978:225929,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(N4CCOCC4)nc3F)c2)ccc1S(=O)(=O)N(C)C,CYLBEJBGBIWWLK-UHFFFAOYSA-N
rxn:5:196533:225928:223064,Cc1ccc(-c2ccc(N3C(=O)CC(c4ccc(C5CCNCC5)nc4F)C3=O)cc2)cc1S(=O)(=O)N(C)C,GMOLDQMCUIXNDU-UHFFFAOYSA-N
rxn:5:196533:225943:227095,O=C1CC(c2ccc(C3CC(=O)N(c4ccc(-c5ccc(C(=O)N6CCOCC6)s5)cc4)C3=O)cc2)C1,VMWBIOISJLIHLZ-UHFFFAOYSA-N
rxn:5:196533:226901:222982,O=C1CC(c2ccc(CN3CC[C@@H](O)C3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,KNBFNCFBNLLWHF-XQZUBTRRSA-N
rxn:5:196533:226901:225820,O=C1CC(c2c(C3CC3)cccc2C(F)(F)F)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,SELUNDFSDXTKHP-UHFFFAOYSA-N
rxn:5:196622:225794:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2cnc(OC3CCCCC3)nc2)cccc1N1CCCC1=O,DBCCDVBKAUUWLO-UHFFFAOYSA-N
rxn:5:196622:226047:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2ccc(OC(F)(F)F)c(F)c2F)cccc1N1CCCC1=O,NAHPBRYRPMWFQU-UHFFFAOYSA-N
rxn:5:196789:223065:223061,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(C2CCNCC2)ncc1F,YIUOTBCTSCCTLP-UHFFFAOYSA-N
rxn:5:196789:225833:225834,O=C1COCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cc(N2CCCCC2)ncc1F,ORHGAFYZNVQXLA-UHFFFAOYSA-N
rxn:5:196789:225976:226583,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(CN2CCOCC2)s1,NGCMOBGNYWXEJV-UHFFFAOYSA-N
rxn:5:196790:222992:226901,O=C1COCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(N2CCCCC2O)cc1,SDKMZBSQOWTAPK-UHFFFAOYSA-N
rxn:5:196790:225832:228193,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(C3CCCC3)c2)ccc1N1CCOCC1=O,PDFYKRYCKYBDOW-UHFFFAOYSA-N
rxn:5:196791:226837:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2c(C)nn(CC(F)(F)F)c2C)cccc1N1CCOCC1=O,ACEMFVVLYKHCJK-UHFFFAOYSA-N
rxn:5:196794:225935:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc1N1CCOCC1=O,VCNPASCUJIIXQC-UHFFFAOYSA-N
rxn:5:196795:226412:225634,Cc1cc(-c2ccc(N3CCOCC3=O)cc2-c2cc(F)cc(N3CCCC3)c2)cnc1N1CCCCC1,MAWPJKOJWWVNLM-UHFFFAOYSA-N
rxn:5:196916:226035:226211,COc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2ccc3c(c2)CCN3C(C)=O)ccc1N1CCCCC1=O,GZCFIWDJVRLOII-UHFFFAOYSA-N
rxn:5:196916:226783:226835,COc1cc(F)c(F)c(OC)c1-c1cc(-c2cc(C(F)(F)F)nn2C(C)C)ccc1N1CCCCC1=O,UZBCRJXALNBKKY-UHFFFAOYSA-N
rxn:5:196917:225452:225584,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2-c2ccc(OC3C=CCCC3)cc2)=N1,HNZCLRXJCHSLLQ-UHFFFAOYSA-N
rxn:5:196922:226395:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cncc(N3CCCCC3)c2)cc(N2CCCCC2=O)c1,JYRCFPQUCGWSMU-UHFFFAOYSA-N
rxn:5:196923:226900:222993,O=C1CCCCN1c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c(-c2cccc(N3CCCCC3O)c2)c1,NTIOQPZTKGSBIA-UHFFFAOYSA-N
rxn:5:196923:226901:225591,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)c(-c2cc(CN3CCCC3)ccc2F)c1,WYGOTSBUVLXENI-UHFFFAOYSA-N
rxn:5:196977:225817:223105,CNS(=O)(=O)c1cc(-c2cc(N3CCCCC3)ccc2-c2ccc(C(F)(F)F)c(C3CC3)c2)c(F)cc1C,HZKPUOSBDJFFSA-UHFFFAOYSA-N
rxn:5:196978:225588:223000,Fc1cc(-c2cc(-c3ccccc3CN3CCSCC3)ccc2N2CCCCC2)ccc1C1CCCNC1,FQTPBAOVDOVKAO-UHFFFAOYSA-N
rxn:5:197526:227766:225684,CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1-c1ccc(C3CCOCC3)nc1C)C(=O)CN2C(C)=O,LPKRTKMBJAMDRA-UHFFFAOYSA-N
rxn:5:197876:226573:228199,Cc1nc(OC(C)(C)C)ncc1-c1cc2c(cc1-c1cn(C3CCC3)nc1C)C(=O)N(C(C)(C)C)S2(=O)=O,UHQZJIBEOJGQLM-UHFFFAOYSA-N
rxn:5:197876:226835:223438,CC(C)n1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cn[nH]c1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,TWPQHNGUTLXCLZ-UHFFFAOYSA-N
rxn:5:198559:225832:225978,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C(c1ccc(N3CCOCC3)nc1F)=NS2(=O)=O,FEOLWJCUDWHMMZ-UHFFFAOYSA-N
rxn:5:226432:180022:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2ccc(C3CCCC3)nc2F)c1C1OCCO1,HPFDIRANOJVTMO-UHFFFAOYSA-N
rxn:5:226778:189952:227203,COc1cc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc4c(c3)OCCCO4)c2OC)c(F)c(F)c1OC,KVNUTLOQFKPRAC-UHFFFAOYSA-N
rxn:5:227611:180022:223007,COc1c(-c2cc(F)cc(C3CCNCC3)c2)ccc(-c2ccnn2C2CCCCO2)c1C1OCCO1,OCDAOPMGLHYGRX-UHFFFAOYSA-N
rxn:4:173305:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCC(=O)OC)c(C(=O)OC)c3)ccc2OC)CC1,YQENSZINOHWIHN-UHFFFAOYSA-N
rxn:4:173390:223712,COCCCOc1cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1C(C)=O,RHIAUYTVYBLXMJ-UHFFFAOYSA-N
rxn:4:173410:223814,CCOC(Cc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1)OCC,BVMQEUUABYNSQH-UHFFFAOYSA-N
rxn:4:173502:222529,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2ccc(CNCc3ccc(OC)cc3)cc2)c1,HUJGTOLTDUUQCM-UHFFFAOYSA-N
rxn:4:173552:222741,CC(C)(C)OC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,YPQARZMRIOIFJD-UHFFFAOYSA-N
rxn:4:173580:223894,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)cc1,DSRDAVIEIYMODW-UHFFFAOYSA-N
rxn:4:173583:222854,COc1ccc(C2CCCNC2)cc1-c1cc(OC)c(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)cc1OC,QZNTXWQBTDMTCA-UHFFFAOYSA-N
rxn:4:173734:223695,CCOC(=O)COc1cccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,BVPGNIKVYATMSX-UHFFFAOYSA-N
rxn:4:173807:224824,FC(F)(F)c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2C(F)(F)F)cc(C2OCCO2)c1,WHBLKKSYQBTZHO-UHFFFAOYSA-N
rxn:4:173860:223788,CCCOc1ccc(OC(F)(F)F)cc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,ZSGLVGCLYLGLRA-UHFFFAOYSA-N
rxn:4:173865:223520,COCCOc1ccc(C(F)(F)F)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,QQDQWGJVUHCWQT-UHFFFAOYSA-N
rxn:4:174042:223809,CCOC(OCC)c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1F,HSPUWPXNPHORCN-UHFFFAOYSA-N
rxn:4:174063:223926,CCOC(OCC)c1c(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1F,MJBXUQDIAGMBDE-UHFFFAOYSA-N
rxn:4:174077:222634,COC(=O)c1c(F)cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1OCC1CC1,WZBMJPUBTJXYES-UHFFFAOYSA-N
rxn:4:174188:223812,CCOC(C)(OCC)c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,JZALDWKUQMKYSI-UHFFFAOYSA-N
rxn:4:174188:223814,CCOC(C)(OCC)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1,YDBDFVDLHUIGSI-UHFFFAOYSA-N
rxn:4:174189:223812,CCOC(C)(OCC)c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,CFXUPIDQIFFAAA-UHFFFAOYSA-N
rxn:4:174207:223596,COc1ccc(C(=O)OCc2ccccc2)cc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,ISMRWPZHHOAXAL-UHFFFAOYSA-N
rxn:4:174378:224620,COc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)nc2)cc1OCCC1OCCCO1,CNQFFJNYIAXJNX-UHFFFAOYSA-N
rxn:4:174401:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)c4ccc(OC)cc4)c(C(=O)OC)c3)ccc2OC)CC1,ZAWXTAFUCNIXPX-UHFFFAOYSA-N
rxn:4:174406:224865,COC(=O)C1(c2ccc(-c3ccc(CCN4CCCCC4)cc3)cc2)CC(OC)(OC)C1,IARCZYXXKMBHDR-UHFFFAOYSA-N
rxn:4:174407:224916,COC(=O)C1(c2cccc(-c3ccc(N4CCCC(C)C4)cc3C)c2)CC(OC)(OC)C1,QIEPYBXPMXXMFJ-UHFFFAOYSA-N
rxn:4:174407:224968,COC(=O)C1(c2cccc(-c3cc(C)ccc3OCC3CCCO3)c2)CC(OC)(OC)C1,NKYAXDPXUSZTRF-UHFFFAOYSA-N
rxn:4:174437:224552,CC(C)(C)OC(=O)C1(Cc2ccc(F)c(-c3cc(F)cc(COC4CCCCC4)c3)c2)CC1,WHGDBGISGCLTQM-UHFFFAOYSA-N
rxn:4:174487:222817,COc1ccc(CO[Si](C)(C)C(C)(C)C)c(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)c1,XSDVDESASCKWGR-UHFFFAOYSA-N
rxn:4:174496:223894,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c1,CCNIROOSMUUUGK-UHFFFAOYSA-N
rxn:4:174663:223388,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1,FZDVKMZFYIPQLQ-PDMYYMTQSA-N
rxn:4:174663:224141,Cc1ccc(OCc2ccccc2)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1F,GCCPRYGZPUTBHK-QKCJCANBSA-N
rxn:4:174663:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2C1,VPSXEFISLVMTCT-WNOVIPGJSA-N
rxn:4:174663:224425,CCCC1CCC(c2ccccc2-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)CC1,GSISBJKQTGTELB-VANSQPTFSA-N
rxn:4:174663:226380,Cc1cc(-n2ccnc2)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,ZCSQZQJGBMBMTG-OTLVMJKUSA-N
rxn:4:174663:226733,CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,PMRUBIWNHFJZQC-MCPNDBPUSA-N
rxn:4:174663:227359,COC(=O)c1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1C,OKDXRQLUJHILLT-AMNGXLNPSA-N
rxn:4:174663:227521,COC(=O)c1cnc(C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,SMDJFCQFDXJMFO-PDMVVSJHSA-N
rxn:4:174663:227846,Cn1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c2ccccc21,OSQVOUKHNYXNMJ-FQEXLZSCSA-N
rxn:4:174663:227869,CC1Cc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)ccc2O1,KALSDXIDZRBABM-XJXKJPETSA-N
rxn:4:174663:228100,CCCn1nc(C)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1C,HIQHVEGGHRCSIJ-OUYRWIGOSA-N
rxn:4:174663:228473,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1,MWILMFRUMLXJIY-VNSRODFNSA-N
rxn:4:174663:228872,COC(=O)c1sccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,UAXRLRXJDSXBGX-UAJPHTGBSA-N
rxn:4:174710:223840,COC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC(F)F,XCGGDOFDABBMDH-UHFFFAOYSA-N
rxn:4:174790:223534,CCOC(=O)C(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1,ZROKYRPZJNRHMB-UHFFFAOYSA-N
rxn:4:175352:222524,COC(=O)c1cc(F)cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1OC(C)C,RIDFAAXNXMHGLL-UHFFFAOYSA-N
rxn:4:175876:224719,COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)cc1,XBKVBBPLGPICLM-RTBURBONSA-N
rxn:4:175965:222513,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)ccc1S(=O)(=O)c1ccc(C)cc1,QLRKBRDSOHXJIN-UHFFFAOYSA-N
rxn:4:175981:224760,CCOC(=O)[C@@H]1CCCO[C@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,QVTZUQIBCJSFNX-RPWUZVMVSA-N
rxn:4:176092:224153,CC(C)(C)[Si](C)(C)OCc1cc(Cl)ccc1-c1cc(N2CCCC2)cc(N2CCCC2)c1,AQJGRRZIOWPGKK-UHFFFAOYSA-N
rxn:4:176097:222598,Cc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(F)c2)cc(C)c1S(=O)(=O)NC1CCCC1,URIUVAOQAYKTEQ-UHFFFAOYSA-N
rxn:4:176098:224404,CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,SIXNVUCCYWYFLM-UHFFFAOYSA-N
rxn:4:176156:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CO[Si](C)(C)C(C)(C)C)cc1C,IGEMIPOKOGOQKV-UHFFFAOYSA-N
rxn:4:176215:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)OCCCC4OCCOC)c(F)c2)CC1,VRQZMSWHJORIIA-UHFFFAOYSA-N
rxn:4:176215:223897,COCCOC1CCCOc2cc(-c3ccc(C)c(OCCCN4CCOCC4)c3)ccc21,IOVCNDSNPQVNGM-UHFFFAOYSA-N
rxn:4:176418:223492,Cc1cc(-c2cc(F)c(F)c(OCC(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RUGSWLDVDGOSNM-UHFFFAOYSA-N
rxn:4:177158:223504,CCOC(=O)c1cc(C)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,REQHAGKHTAULTE-UHFFFAOYSA-N
rxn:4:178136:223490,CCc1ccc(C(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,IGSJUQZROYLEMH-UHFFFAOYSA-N
rxn:4:178216:223489,Cc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,OSIHPEXKLMCMAX-UHFFFAOYSA-N
rxn:4:178384:225711,COC(COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1)OC,QSGDDJUKEBXCTE-UHFFFAOYSA-N
rxn:4:178384:227655,CN(C)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(F)c1F,NFVZDOSUXBBZNE-UHFFFAOYSA-N
rxn:4:178431:223480,COC(=O)Cc1cc2c(c(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c1)OCC2,XTDBFHKPCZEFQK-UHFFFAOYSA-N
rxn:4:178584:224010,COc1cc2c(cc1OC)C(c1ccc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cc1)OC(C)C2,YMMVPDNHENZYIB-UHFFFAOYSA-N
rxn:4:178594:223137,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1cncc(C2CCCNC2)c1,RYOIVCKFEFGNOM-UHFFFAOYSA-N
rxn:4:178598:223926,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1,MIASLBHYOROEFH-UHFFFAOYSA-N
rxn:4:178598:224590,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC(C)CC3)cc2F)c1,QARFADANGYLJQM-UHFFFAOYSA-N
rxn:4:178598:225061,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(N3CCC(C)CC3)cc2F)c1,KYHQNACZWSLKPU-UHFFFAOYSA-N
rxn:4:179746:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C4COC4)c(C(F)(F)F)c3)c2F)C1,ISKFHCITMVQBMX-UHFFFAOYSA-N
rxn:4:180175:223522,CCC(C)(C)c1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,KHOAMEJEFLHGIT-UHFFFAOYSA-N
rxn:4:180390:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C3CC3)cc2C2CCCO2)CC1,PFKDATQEYNFHSE-UHFFFAOYSA-N
rxn:4:181262:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)c(F)c(F)c1C(C)=O,KIUZSMHDILROBK-UHFFFAOYSA-N
rxn:4:181361:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C(C)(F)F)c1F,GRMDOAMLYHZUPT-UHFFFAOYSA-N
rxn:4:182090:224412,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc2)C(=O)O1,BDPMOUBRPBOUSO-UHFFFAOYSA-N
rxn:4:182376:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(=O)[C@@]2(C3)C[C@@H](C)[C@H](OC)[C@@H](C)C2)c1,LRPFXOPSDCSUBN-NLDRNSFOSA-N
rxn:4:182376:226502,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccn(C(=O)OC(C)(C)C)c4)cc3C2=O)C[C@@H]1C,NLQNMHPXYVAZNA-UVUKNKPNSA-N
rxn:4:182997:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(F)c4c(c3)OCCC4)c2)CC1,RXFYXESPZQVIIM-UHFFFAOYSA-N
rxn:4:183216:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)c4c(c3)C(=O)CC(C)(C)O4)c2)CC1,LKAZFNXTCPQCQU-UHFFFAOYSA-N
rxn:4:183248:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)CC1(CC2)OCCO1,KAGJFXOFLXNTGR-UHFFFAOYSA-N
rxn:4:183271:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(C)c1,SZYKCTYVAYINMJ-UHFFFAOYSA-N
rxn:4:183271:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1F,DVCCYHCEJYLKLU-UHFFFAOYSA-N
rxn:4:183272:227330,COC(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C)c1,YKQBXJHLYGYZQQ-UHFFFAOYSA-N
rxn:4:183272:228803,C[Si](C)(C)c1csc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,QBJLNCMKXWIPPD-UHFFFAOYSA-N
rxn:4:183273:228907,COc1nccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1Cl,ZPWXNNHWAMYAET-UHFFFAOYSA-N
rxn:4:183482:224827,CCOC(=O)C(=O)Cc1ccc(-c2cc(OC(F)(F)F)ccc2C(=O)OC)cc1[N+](=O)[O-],FXHYRTQLJCWDON-UHFFFAOYSA-N
rxn:4:183490:223536,CCOC(=O)Cc1c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C#N)cc1C(F)F,RQFOWXQRJLLQQY-UHFFFAOYSA-N
rxn:4:183516:225309,CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1cc(C2CC2)cc(C(F)(F)F)c1Cl,RUKNTNKMOTYNGW-UHFFFAOYSA-N
rxn:4:183541:223931,CCOC(=O)Cc1cc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc(C#N)c1C(F)(F)F,SQWMBDLPIJLGSB-UHFFFAOYSA-N
rxn:4:183646:228066,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1OCC(F)(F)F,LEYGBUYVTWEBBY-UHFFFAOYSA-N
rxn:4:183704:227207,O=C1CCOc2c1cccc2-c1ccc(OC[C@@H]2CCCN2C(=O)OC(F)(F)F)c(F)c1,FAJZLHWGNKTHGS-AWEZNQCLSA-N
rxn:4:183755:226468,CN1C(=O)COc2c(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(OCC4CC4)c3)cccc21,NSZRNYQDUPUNRF-UHFFFAOYSA-N
rxn:4:183765:223845,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)C1,DVXLHMQZZFDPIF-UHFFFAOYSA-N
rxn:4:183803:223831,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)cc1S(=O)(=O)N1CCC(C)CC1,QOBOCYZYAFSSKR-UHFFFAOYSA-N
rxn:4:183804:223578,FC(F)(F)Oc1ccc(OCCN2CCCCC2)c(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c1,RZONCVYTDXJGAQ-UHFFFAOYSA-N
rxn:4:183837:227613,COC(=O)C1CCN(C(=O)COc2ccc(-c3cnn(C4CCOCC4)c3)cc2)CC1,IIGHCPFWMFDOKX-UHFFFAOYSA-N
rxn:4:183865:224101,COC(=O)CN1CCCC(COc2ccccc2-c2cccc(OCCN3CCC(C)CC3)c2)C1,KHYXZIJVOLNYEF-UHFFFAOYSA-N
rxn:4:183870:224997,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C1,BXAWKBNBPKPIAR-UHFFFAOYSA-N
rxn:4:183873:222828,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c1,GKBFRKYAUSLKFZ-UHFFFAOYSA-N
rxn:4:183873:224321,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1,UBQKINMURQMFKB-UHFFFAOYSA-N
rxn:4:183876:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)CC1,UCSWRGVJZFFAMD-UHFFFAOYSA-N
rxn:4:183877:225592,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2cc(F)ccc2CN2CCCC2)C1,LDYSBYTXPGVEMH-UHFFFAOYSA-N
rxn:4:183880:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c(Cl)c1,SKNMUTOQUFIUOX-UHFFFAOYSA-N
rxn:4:183882:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2C1,IHFPERZQUODKRN-UHFFFAOYSA-N
rxn:4:183882:224352,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)c2)C1,ISJRCMJEWXUFIO-UHFFFAOYSA-N
rxn:4:183882:225451,CC(C)(C)OC(=O)N1CC(COc2ccc(F)c(-c3ccc(SC4CCCCC4)cc3)c2)C1,UTPCDEILPSAAND-UHFFFAOYSA-N
rxn:4:183882:226486,COC(=O)COc1ccc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)cc1,KCVHYOZQYKEBRL-UHFFFAOYSA-N
rxn:4:183890:226829,Cc1cc(C(F)(F)F)cc(-c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c1Cl,ZSEMOXXUAPFEPO-UHFFFAOYSA-N
rxn:4:183961:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1,UJVCASOEFYDEGM-JVHFYALYSA-N
rxn:4:183963:223723,CCC(CC)Oc1ccc(-c2ccc(-c3c(C)cccc3OCC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1,CKJOADUUTDZXPM-UHFFFAOYSA-N
rxn:4:183964:226566,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2cc(OC)ccc2C(=O)OC)c1,AHJSYRWYEHUWNF-UHFFFAOYSA-N
rxn:4:184001:223646,COC(=O)C1(c2ccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,DBWYOGYINVGEKK-UHFFFAOYSA-N
rxn:4:184001:223651,COC(=O)C1(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,HGGVNYNCSDIKKU-UHFFFAOYSA-N
rxn:4:184006:225003,COc1ccc(C(=O)N(c2ccc(-c3ccc(N4CCCCC4)cc3OC)cc2)C2C=CS(=O)(=O)C2)cc1OC,WUUBFCFUWMACHS-UHFFFAOYSA-N
rxn:4:184016:223886,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1,ROKLGVIUMCQKSN-UHFFFAOYSA-N
rxn:4:184017:223503,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2)CC1,KYUPTQJGBQJBJG-UHFFFAOYSA-N
rxn:4:184018:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cn1,ZZQKZBLBFZCXKF-UHFFFAOYSA-N
rxn:4:184018:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2OCC2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl,VIHYRWCKTXVRCZ-UHFFFAOYSA-N
rxn:4:184018:223670,CC(C)(C)OC(=O)N1CCC(COc2ccccc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,IDWKHVAMMLMQKN-UHFFFAOYSA-N
rxn:4:184024:222492,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc(NC(=O)OCc4ccccc4)c(F)c3)c2)C1,XKOXPKQTPKWEBD-UHFFFAOYSA-N
rxn:4:184024:223932,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)C1,AHSIDWUWPIGUAV-UHFFFAOYSA-N
rxn:4:184026:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(Cl)c(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,BFNVYYWKKRSCPH-UHFFFAOYSA-N
rxn:4:184029:224080,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(OCCCN4CCCCC4)cc3)c2F)CC1,WEDYPLDNFQDCQD-UHFFFAOYSA-N
rxn:4:184030:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1c(F)cccc1OCC1CCN(C(=O)OC(C)(C)C)CC1,CWSPSSZIIZCBGL-UHFFFAOYSA-N
rxn:4:184055:223659,COc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,LOWKQPWTBNKGSH-UHFFFAOYSA-N
rxn:4:184245:226502,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2ccn(C(=O)OC(C)(C)C)c2)cc1)N(CCCOC(C)C)C3=O,JPPSKZAVHIJDQD-UHFFFAOYSA-N
rxn:4:184793:223573,COc1ccc(COc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2C#N)cc1,IRYDIXASMWBGGB-UHFFFAOYSA-N
rxn:4:184848:224819,CCOc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,FTNWQMDPUPDLOT-UHFFFAOYSA-N
rxn:4:184864:222654,COC(=O)C(c1cc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)ccc1OC)N(C)C,TVWSSRSSGBZSAE-UHFFFAOYSA-N
rxn:4:184864:222657,COC(=O)C(c1cc(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)ccc1OC)N(C)C,OAERSKFRRONEIC-UHFFFAOYSA-N
rxn:4:184865:224373,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1,GAYVREKPWLTXEK-UHFFFAOYSA-N
rxn:4:184922:223480,COC(=O)c1cc(OC2CCCC2)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],OQHLRILUHSKOFB-UHFFFAOYSA-N
rxn:4:185045:225896,COCCOc1cc(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2Cl)c(F)cc1F,KNLKHEMEMGSUSL-UHFFFAOYSA-N
rxn:4:185054:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cccc(OCCN3CCCC(C(F)(F)F)C3)c2)c1F,XPASTJWFFVQCQL-UHFFFAOYSA-N
rxn:4:185054:225270,CCCOc1ccc(-c2cccc(OCCN3CCCC(C(F)(F)F)C3)c2)cc1C(F)(F)F,SKMFNPXVVIIHRW-UHFFFAOYSA-N
rxn:4:185100:223525,CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ABPVUURGBAHEPX-UHFFFAOYSA-N
rxn:4:185108:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OCC1CC1,MKKPKTFXFYYWNZ-UHFFFAOYSA-N
rxn:4:185111:224591,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(Cl)c(CN3CCC(C)CC3)c2)CC1,IRQOZXMBKZHNAD-UHFFFAOYSA-N
rxn:4:185145:222957,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCCNC4)c3)cc2)C1,USTINHRDKNTXDE-UHFFFAOYSA-N
rxn:4:185149:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,XBHVCRZMQHLEEE-UHFFFAOYSA-N
rxn:4:185201:223501,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,AZMKKLISQCUFOH-UHFFFAOYSA-N
rxn:4:185267:222717,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(C)c(F)cc3S(=O)(=O)NC(C)(C)C)c2)CC1,OXNMKMVMEXAUNG-UHFFFAOYSA-N
rxn:4:185267:225979,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cnc(N4CCOCC4)c(Cl)c3)c2)CC1,CNPYVQFMSANHLF-UHFFFAOYSA-N
rxn:4:185269:222465,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)(C(F)(F)F)C1,LXDAQNISKYLDHP-UHFFFAOYSA-N
rxn:4:185271:224268,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc2Cl)(C(F)(F)F)C1,MLLYAVLQMNIMDS-UHFFFAOYSA-N
rxn:4:185296:222605,CCOc1ccc(C=C2SC(=S)N(c3ccccc3-c3cc(S(=O)(=O)NC4CCCC4)ccc3OC)C2=O)cc1OC,UFXPPMMZZVEOPL-UHFFFAOYSA-N
rxn:4:185314:223761,CC(C)(C)OC(=O)N1CCCC(Oc2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,DUWRVBUTLJLZRL-UHFFFAOYSA-N
rxn:4:185319:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(C4CC4)c3)c(F)c2)CC1,XFYDGRZAUILSSH-UHFFFAOYSA-N
rxn:4:185319:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(C4CC4)c3)c2F)C1,GNYDNHCVDSZPBQ-UHFFFAOYSA-N
rxn:4:185319:224277,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2C2CC2)C1,UXZNTTXRCOHUPZ-UHFFFAOYSA-N
rxn:4:185323:225716,COCCOCc1cc(F)ccc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,SPJGEGCRMWJRMF-UHFFFAOYSA-N
rxn:4:185352:223556,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cc2)CC1,RLXMGBOPRIREHE-UHFFFAOYSA-N
rxn:4:185354:225899,Cc1cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n(C(=O)OC(C)(C)C)n1,MEXNGHRGSCFWPF-UHFFFAOYSA-N
rxn:4:185371:224279,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc2)CC1,BOAXKRXRVKYGDB-UHFFFAOYSA-N
rxn:4:185378:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cccc(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,OOVDRSYDIBHBME-UHFFFAOYSA-N
rxn:4:185379:223777,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,AZAPWODVWIVTGE-UHFFFAOYSA-N
rxn:4:185381:224290,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc(C(F)(F)F)c2)C1,IQUQZGAABCVSLT-UHFFFAOYSA-N
rxn:4:185381:226241,COC(=O)CCc1cccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c1,LQTMHAYYNVYPIK-UHFFFAOYSA-N
rxn:4:185382:223498,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2C(F)(F)F)CC1,HPXYCTVCOBVVPW-UHFFFAOYSA-N
rxn:4:185405:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CC4)ccc3C3CCN(C(=O)OC(C)(C)C)C3)cc2Cl)CC1,KGOLZMXSQSWYHF-UHFFFAOYSA-N
rxn:4:185405:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1cc(C2CC2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,POPZFODOACJAMZ-UHFFFAOYSA-N
rxn:4:185406:223660,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,SLAMGFUUTZJHCP-UHFFFAOYSA-N
rxn:4:185408:223989,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)ccc2C2CC2)C1,VFVVTNKPGQPTPE-UHFFFAOYSA-N
rxn:4:185410:225353,COC(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)cc1C(F)(F)F,BMOFARVRMGEZFX-UHFFFAOYSA-N
rxn:4:185413:223889,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,ZUJNZHUBOYEENH-UHFFFAOYSA-N
rxn:4:185414:223507,Cc1cc(Cl)cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,XLCSPQNUVWLMCN-UHFFFAOYSA-N
rxn:4:185423:224180,CN1CCN(CCOc2ccccc2-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1,DRSDWBYJQVIEPJ-UHFFFAOYSA-N
rxn:4:185437:227543,COC(=O)c1cc(-c2ccc(F)cc2CN2CCC(O[Si](C)(C)C(C)(C)C)CC2)ccc1F,GYDZQZVEKYWJBY-UHFFFAOYSA-N
rxn:4:185437:228407,COc1ccc(F)c(F)c1-c1ccc(F)cc1CN1CCC(O[Si](C)(C)C(C)(C)C)CC1,SVFSYNQSBHNRKM-UHFFFAOYSA-N
rxn:4:185438:225977,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)CC1,PZGFFOAVJSNYNT-UHFFFAOYSA-N
rxn:4:185439:225557,COC(=O)C1(c2ccc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2)CC1,GFGGDWFZZIIDOF-UHFFFAOYSA-N
rxn:4:185442:222929,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc(C2COC2)c1,SWKHRSCQCFINDJ-UHFFFAOYSA-N
rxn:4:185442:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,FIUOBSNYMMYILE-UHFFFAOYSA-N
rxn:4:185453:225368,O=S(=O)(Oc1cc2c(-c3ccc4c(c3)OC(F)(F)C(F)(F)O4)cccc2n1CC(F)(F)F)C(F)(F)F,QKVHEMIKGIXLNZ-UHFFFAOYSA-N
rxn:4:185503:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(ccn2COCC[Si](C)(C)C)c1,HRLABJPNANTWRY-UHFFFAOYSA-N
rxn:4:185535:227206,COC(=O)[C@@H]1Cc2ccc(-c3ccc4c(c3C)COC4=O)cc2CN1C(=O)OC(C)(C)C,GCJGBGABJMSHMY-NRFANRHFSA-N
rxn:4:185545:223490,Cc1ccc(-c2ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AGDWLVRVWHJXBP-UHFFFAOYSA-N
rxn:4:185545:223880,Cc1ccc2c(c1)cc(-c1ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c1)n2C(=O)OC(C)(C)C,JEBVPAOBJKQDSL-UHFFFAOYSA-N
rxn:4:185589:222542,COc1ccc(-c2ccc(C)c(OCCCN3CCNCC3)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,AEJJVKQXSPCAHW-UHFFFAOYSA-N
rxn:4:186029:223695,COC(=O)Cc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c([N+](=O)[O-])cc1F,HYNJOPYEIQEWQL-UHFFFAOYSA-N
rxn:4:186290:222389,CN(C)C(=O)c1cc(OC(F)(F)F)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,MCTJQCSBQSWRPA-UHFFFAOYSA-N
rxn:4:186338:223835,CCOC(=O)C1(c2cncc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)CC1,NLOOWZQFHPWOSM-UHFFFAOYSA-N
rxn:4:186547:223492,CCN(CC)Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,NXEFNVKTUBATPZ-UHFFFAOYSA-N
rxn:4:186662:224397,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,DPSCBUSVZLRPPL-UHFFFAOYSA-N
rxn:4:186663:225189,COc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cccc(CN3C(=O)CCC3=O)c2)c1,BPSCYNQWUZBAGF-UHFFFAOYSA-N
rxn:4:186715:223892,COC(=O)C1CN(Cc2ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc2F)C1,DIHSYQOKBKPSKF-UHFFFAOYSA-N
rxn:4:186715:224064,COC(=O)C1CN(Cc2ccc(-c3cc(C4CC4)cc(N4CCCCC4C)c3)cc2F)C1,UZQMFMNUUBGNSE-UHFFFAOYSA-N
rxn:4:186892:224018,O=C(CS(=O)(=O)c1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1)N1CCCC1,ZGSOQRWVUNATQL-UHFFFAOYSA-N
rxn:4:186922:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(OC(F)(F)F)c1,HFWOXWARKZUOTN-UHFFFAOYSA-N
rxn:4:186922:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc1,JYSJPJFHXBVNFR-UHFFFAOYSA-N
rxn:4:187011:222694,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2F)C1=O,PUJBLCCIYWOIHG-QHCPKHFHSA-N
rxn:4:187092:226237,CN(C)CCOc1ccccc1-c1cc(CN2CCC(F)(F)CC2)ccc1OC(F)(F)F,QTGRTPCBSWWEGO-UHFFFAOYSA-N
rxn:4:187127:222807,O=C(NC1CC1)c1cc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)cc([N+](=O)[O-])c1,VNGIMKZSOWOGLB-UHFFFAOYSA-N
rxn:4:187128:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)CC(=O)N2CCCCC2)c1,CJTRZVNMCUDDAJ-UHFFFAOYSA-N
rxn:4:187189:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)ccc2F)CC1,WXPHQTZBPVJCCP-UHFFFAOYSA-N
rxn:4:187190:223940,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)c2)C1,SSGQCWXHRSPLSY-UHFFFAOYSA-N
rxn:4:187190:224081,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)c2)C1,ZORBVHLNIGOOEH-UHFFFAOYSA-N
rxn:4:187200:222584,COC(=O)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(CN2CCCCC2)c1,UJIKEJJEDPVYRH-UHFFFAOYSA-N
rxn:4:187206:223637,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccccc3C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)C1,KQNZMERMNJFSOK-UHFFFAOYSA-N
rxn:4:187207:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc(Cl)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c1,JSQCODFIDHUAEX-UHFFFAOYSA-N
rxn:4:187220:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2F)CC1,IGJUZZGRQZUHMV-UHFFFAOYSA-N
rxn:4:187250:225350,COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC)c(CN2CCCC(F)(F)C2)c1,YBBFQQVXSSAMKM-UHFFFAOYSA-N
rxn:4:187297:223926,COC1CCN(CCc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)CC1,FKUPJPMFPIKZNQ-UHFFFAOYSA-N
rxn:4:187301:224420,COC1CCN(CCc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)ccc2Cl)CC1,QOVMWNUSRAUVNE-UHFFFAOYSA-N
rxn:4:187327:225763,COC(=O)c1cc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)c(C)cc1OC,GMTMAJTXPHZVFY-LJQANCHMSA-N
rxn:4:187327:226211,CC(=O)N1CCc2cc(-c3cccc([C@H]4COS(=O)(=O)N4C(=O)OC(C)(C)C)c3)ccc21,MHTPIENVFDUDEV-OAQYLSRUSA-N
rxn:4:187365:224656,CCOc1cc(OC2CCN(C)CC2)ccc1-c1ccc(OC)c(OC2CCCC2)c1F,BTEJOWUNBLDHOT-UHFFFAOYSA-N
rxn:4:187374:223754,CC1CCN(CCCOc2ccc(-c3cccc(S(=O)(=O)CC(=O)N4CCC(C)CC4)c3)cc2Cl)CC1,FXTAKJQSHOYESD-UHFFFAOYSA-N
rxn:4:187405:222589,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,FHEZTGAIHZXKKX-UHFFFAOYSA-N
rxn:4:187405:222776,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(CN2CCC(O)CC2)cc1F,FNEXFSHWLDRFJR-UHFFFAOYSA-N
rxn:4:187405:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(OCC(=O)N2CCC(C)CC2)cc1C,BKWDYAOBOUOOLA-UHFFFAOYSA-N
rxn:4:187439:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)co1,NIJOFBFLFXCQNH-UHFFFAOYSA-N
rxn:4:187441:224720,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)o2)C1,NWEXFUCOTSLXLS-UHFFFAOYSA-N
rxn:4:187445:225294,CCN1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(F)c3)cn2)CC1,FFRJRKHZBPSWMR-UHFFFAOYSA-N
rxn:4:187483:222546,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c(OC)c1,BZIPKRWWQVUADO-UHFFFAOYSA-N
rxn:4:187488:222988,CCOc1ccc(-c2cc(C)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,FADWYEXCKDTQPQ-UHFFFAOYSA-N
rxn:4:187492:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,OFZQRKJTTAFAPD-UHFFFAOYSA-N
rxn:4:187493:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1C1CN(C(=O)OC(C)(C)C)CCO1,AVMGTSWIPZTODJ-UHFFFAOYSA-N
rxn:4:187498:223845,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc(OC)c1C(=O)N1CCC(C)CC1,URMHLVQGIZSIOI-UHFFFAOYSA-N
rxn:4:187498:225353,COC(=O)c1ccc(-c2cc(OC)c(C(=O)N3CCC(C)CC3)c(OC)c2)cc1C(F)(F)F,NGYYQNWWSAPITO-UHFFFAOYSA-N
rxn:4:187500:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)cc(OC)c1C(=O)N1CCCCC1C,AVQDEHINGYRSKR-UHFFFAOYSA-N
rxn:4:187500:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC)c(C(=O)N4CCCCC4C)c(OC)c3)cc2C)CC1,UGTCOQXQNSYXTP-UHFFFAOYSA-N
rxn:4:187557:224375,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1,QVXWFTVRSQEWPI-OAQYLSRUSA-N
rxn:4:187573:223660,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,XCSRIJSEHGTRFE-UHFFFAOYSA-N
rxn:4:187580:225877,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(Cl)cc2N2CCOCC2)o1,LEIKUYISCJYRJY-UHFFFAOYSA-N
rxn:4:187581:222948,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cnc(N3CCC(O)CC3)nc2Cl)co1,YFEGCRQYFVCNPH-UHFFFAOYSA-N
rxn:4:187582:224157,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)CC1,MXCIJKXEEJPAPI-UHFFFAOYSA-N
rxn:4:187583:225896,COCCOc1cc(-c2ccc(Cl)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,ASPJFJIHNOWFNC-UHFFFAOYSA-N
rxn:4:187594:223888,CC(C)(C)OC(=O)N1CCCC(c2cc(F)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)C1,DKLFDYFGYLGWMH-UHFFFAOYSA-N
rxn:4:187594:226262,CCCCOc1cccc(-c2cc(F)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1Cl,SMQJVYOYHYSDNH-UHFFFAOYSA-N
rxn:4:187625:224586,CC1CCN(Cc2ccc(F)cc2-c2cccc(OC(C)C)c2CN2CCC(C)CC2)CC1,HLWOOIKZVICHMD-UHFFFAOYSA-N
rxn:4:187625:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cccc(OC(C)C)c2CN2CCC(C)CC2)c1,XBEXGALPVJPIKC-UHFFFAOYSA-N
rxn:4:187664:223975,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,BOGKXFNNBBFRHL-UHFFFAOYSA-N
rxn:4:187668:222971,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(NC(=O)C(C)(C)C)cc2)cc1,TYNIPLMQYDGZDE-UHFFFAOYSA-N
rxn:4:187673:222947,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cnc(N3CCCC(O)C3)nc2Cl)c1,LWEONJJLJPWKSL-UHFFFAOYSA-N
rxn:4:187779:223945,COCCCN1CCOc2ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc21,GRYPTRCWKZHTFH-UHFFFAOYSA-N
rxn:4:187916:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)c(F)c2)CC1,KWFYWAAJWRBXTJ-CFBHNUCZSA-N
rxn:4:187944:222774,OC1CCN(Cc2cc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)ccc2F)CC1,MRWUZBSHVDTJLD-UHFFFAOYSA-N
rxn:4:187944:222993,OC1CCCCN1c1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,HCCBRMVKZUUSBL-UHFFFAOYSA-N
rxn:4:187944:224552,Fc1cc(COC2CCCCC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,CYCROAKZZJYGTK-UHFFFAOYSA-N
rxn:4:187944:225566,CC1(COc2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2)COC1,MPNKPSFWPXTXOQ-UHFFFAOYSA-N
rxn:4:187944:225714,CCOCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1Cl,RFNYCCZVIWFFTG-UHFFFAOYSA-N
rxn:4:187944:225715,COCCOCc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1F,SKOMMWUEZFJOIT-UHFFFAOYSA-N
rxn:4:187944:225893,COCCOc1c(Cl)ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1F,IEWJUSLIKZQADY-UHFFFAOYSA-N
rxn:4:187944:226245,CCCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1F,YBQKSKXKWADSLR-UHFFFAOYSA-N
rxn:4:187944:226246,CCCCOc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1F,JDJVLTSABOCRGE-UHFFFAOYSA-N
rxn:4:187944:226251,CCCCOc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1Cl,KZLOUZZLBCSIGH-UHFFFAOYSA-N
rxn:4:187944:226259,CCCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1Cl,BBJCATLVUVLOBW-UHFFFAOYSA-N
rxn:4:187944:226262,CCCCOc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1Cl,VGJFVGYYLGDEFA-UHFFFAOYSA-N
rxn:4:187944:226276,COc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1CN(C)C,UEOWZYBJAAVJJF-UHFFFAOYSA-N
rxn:4:187944:226452,c1cc(C2OCCCO2)ccc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,CZMGQZIQMBYQRZ-UHFFFAOYSA-N
rxn:4:187944:226493,COCCOc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(Cl)c1,VMVLIWOSAZXRNW-UHFFFAOYSA-N
rxn:4:188460:223696,COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,AHLZQFDZUFGTMQ-UHFFFAOYSA-N
rxn:4:188494:223695,COC(=O)c1c(F)cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c([N+](=O)[O-])c1F,ZWAPQUDRNHOFBG-UHFFFAOYSA-N
rxn:4:188739:223695,COc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(OC)c1[N+](=O)[O-],QJVGDDBJZAGWBV-UHFFFAOYSA-N
rxn:4:189168:223695,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,KAFNJWFIUWEUKM-UHFFFAOYSA-N
rxn:4:189218:224685,O=C1CCN(C(=O)c2cccc(-c3cccc(F)c3C(=O)ON3C(=O)CCC3=O)c2)CC1,KYLRFSVHHWBXPF-UHFFFAOYSA-N
rxn:4:189389:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccc(C(=O)ON=C3C=CC(=O)C=C3)cc2)cc1,PZNFAEDEQLZNQK-UHFFFAOYSA-N
rxn:4:189599:224819,Cc1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,VJHGBAUFLVPNAG-UHFFFAOYSA-N
rxn:4:189791:223533,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1S(=N)(=O)C1CCC1,LYFDKZSBTSKENJ-UHFFFAOYSA-N
rxn:4:189874:222630,O=C(c1cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)ccc1C(F)(F)F)N1CCOCC1,RPJCHJDXIWRTIA-UHFFFAOYSA-N
rxn:4:189918:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)c1F,YLSBOIHAMWPPLC-UHFFFAOYSA-N
rxn:4:189973:225979,O=S(=O)(c1cc(-c2cnc(N3CCOCC3)c(Cl)c2)cc(C(F)(F)F)c1)N1CCOCC1,SHKCYFAXMQXTAL-UHFFFAOYSA-N
rxn:4:190015:223498,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,SKBRIAPUQUPBFZ-UHFFFAOYSA-N
rxn:4:190139:223775,COc1ccc2c(c1)c(-c1ccc(CN3CCCCC3)c(C(F)(F)F)c1)cn2C(=O)OC(C)(C)C,UKWIKUVIGCNKBH-UHFFFAOYSA-N
rxn:4:190164:224634,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1CN1CCOCC1,WVKNMLCLGMCBDS-UHFFFAOYSA-N
rxn:4:190218:224820,CCC(=O)C1CCCN(c2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)C1=O,FSAPVPWJTFGAIZ-UHFFFAOYSA-N
rxn:4:190224:222723,CS(=O)(=O)c1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)ccc1CN1CCOCC1,NKGOKAZCAUXUGB-UHFFFAOYSA-N
rxn:4:190224:222742,CS(=O)(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)ccc1CN1CCOCC1,PPZMMWGQVIIKBE-UHFFFAOYSA-N
rxn:4:190271:224251,CC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C(=O)N3CCCC(C)C3)cc2F)CC1,VMIUEXWSNPBXPF-UHFFFAOYSA-N
rxn:4:190315:222542,Cc1ccc(-c2cc(CCN3CCC(C)CC3)ccc2F)cc1OCCCN1CCNCC1,OLHKAJSJUFKBTK-UHFFFAOYSA-N
rxn:4:190374:224874,COc1ccc(-c2cccc(COC3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1C,HVNTWBZFFROGIJ-UHFFFAOYSA-N
rxn:4:190380:224817,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccccc1S(=O)(=O)N1CCOCC1,XCVVULDPXUURMA-UHFFFAOYSA-N
rxn:4:190380:224957,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccccc1O[Si](C)(C)C(C)(C)C,ARKJOMOPNUIAEX-UHFFFAOYSA-N
rxn:4:190408:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3[N+](=O)[O-])cc(C(F)(F)F)c2)CC1,WYVVCBLPKRVINO-UHFFFAOYSA-N
rxn:4:190443:225307,COc1cc(C)c(-c2ccc(C3COC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1C,JMPBNMLIZOHFKS-UHFFFAOYSA-N
rxn:4:190445:224246,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(C(=O)N2CCC(C)CC2)c(F)c1,PYYQLCNBMFWZTL-UHFFFAOYSA-N
rxn:4:190445:225569,COC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCCC(C)C3)cc2OC)ccc1C1CC1,YFKRRBWGYPEAHZ-UHFFFAOYSA-N
rxn:4:190451:224754,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1S(=O)(=O)N1CCCCC1,NOLWPPNPEMVFKL-UHFFFAOYSA-N
rxn:4:190451:226899,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],NKMWIMSRQAHTAD-UHFFFAOYSA-N
rxn:4:190458:224009,COc1ccc(-c2ccc([C@@H]3CN([C@@H](C)c4ccccc4)C(=O)CO3)cc2)cc1S(=O)(=O)N1CCOCC1,WOWOGVNAMGJZJM-IDISGSTGSA-N
rxn:4:190849:224292,CCCCN1Cc2cc(-c3ccc(S(=O)(=O)OCC(C)(C)C)c(C)c3)ccc2OCC1=O,VRKRECFPHLIMQP-UHFFFAOYSA-N
rxn:4:190869:225269,COC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)c(C(=O)OC)c1,CJQUXGYASVXSCZ-UHFFFAOYSA-N
rxn:4:190926:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4=O)cc2Cl)CC1,VAVFKGKPYZQYPI-UHFFFAOYSA-N
rxn:4:190933:223576,CC1c2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(=O)N1C(=O)OC(C)(C)C,JHYRJLZZPCGVRF-UHFFFAOYSA-N
rxn:4:190952:224653,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(Cl)cc3OCC3CCCCO3)ccc2C1,ODIJUWGHIURMPR-UHFFFAOYSA-N
rxn:4:190954:223598,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc21,DACAVPAZKJAUCC-UHFFFAOYSA-N
rxn:4:191063:223939,CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc3O2)C1,VOPSYBZLJFDOSR-UHFFFAOYSA-N
rxn:4:191103:222848,CCc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc(C2CCCNC2)n1,WJWRZCFMJUJGSY-UHFFFAOYSA-N
rxn:4:191103:223001,CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc32)CC1,XCHBPHVWIKCOJH-UHFFFAOYSA-N
rxn:4:191103:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,ZFJGDJHHDJMYQW-UHFFFAOYSA-N
rxn:4:191104:224277,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc12,QANKDGHWTLBGBY-UHFFFAOYSA-N
rxn:4:191116:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(=O)CC43CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IAWHVXKKOOGIDQ-UHFFFAOYSA-N
rxn:4:191117:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4c3C3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)cc2)CC1,FTTKEKITIPSMLE-UHFFFAOYSA-N
rxn:4:191117:227001,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cccc(SCC4CC4)c3)c12,MEGYOAUYHSFQPO-UHFFFAOYSA-N
rxn:4:191120:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)cc2)CC1,HGNFJBNNQHSDSG-UHFFFAOYSA-N
rxn:4:191120:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)cc2)CC1,LOOZVNYWNBDCPM-UHFFFAOYSA-N
rxn:4:191121:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1,TUUXVWMUYDQDQW-UHFFFAOYSA-N
rxn:4:191124:225232,CC1CCN(c2cc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)cnc2Cl)CC1,AUGTZIDFCJHHTQ-UHFFFAOYSA-N
rxn:4:191125:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cn1,QLXJFWUUVHAQCK-UHFFFAOYSA-N
rxn:4:191125:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,AIDQAZBEDAFCMV-UHFFFAOYSA-N
rxn:4:191125:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCC43CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,RRFKGCXVWBDADG-UHFFFAOYSA-N
rxn:4:193001:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(OC4CCOCC4)n3)cn2)CC1,PGEXFLUCLWSRDA-UHFFFAOYSA-N
rxn:4:193044:223504,COc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1C1CCCO1,XRYQMOVSNJUZHT-UHFFFAOYSA-N
rxn:4:193125:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(N4CCCC4=O)cc3C(F)(F)F)cc2)CC1,WGZOAXLQOIIDRX-UHFFFAOYSA-N
rxn:4:193131:224416,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc2)C=C1,FWLMPJMSJNTWND-UHFFFAOYSA-N
rxn:4:193344:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(F)cc3CN3CCOCC3)cc2)C1,XZEFHCKVPDGAFE-UHFFFAOYSA-N
rxn:4:193505:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2S(=O)(=O)N2CCCCC2=O)CC1,IPJOJSKOALTBQW-UHFFFAOYSA-N
rxn:4:193560:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)c2)CC1,MAFYVFRFZFPKRT-UHFFFAOYSA-N
rxn:4:193603:222630,O=S(=O)(c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(F)c1)N1CCCCC1,WNLCJSSFGQMDMP-UHFFFAOYSA-N
rxn:4:193669:223493,COc1cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc(N2CCCCC2)c1,SXLODBDMRNTJJM-UHFFFAOYSA-N
rxn:4:193810:223902,CC1CCN(CCOc2ccc(-c3c(F)cccc3CN3CCC(C)CC3)cc2F)CC1,BCXMALYVRUXHPB-UHFFFAOYSA-N
rxn:4:193840:223481,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2)C1,LEHJONPRZMJTJL-UHFFFAOYSA-N
rxn:4:193870:223810,Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1-c1cc(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)c1,YXVIKQFWTCYXSE-UHFFFAOYSA-N
rxn:4:193908:222730,CCCc1cc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2C)cc(C2CCNCC2)n1,FGZJZDVZCFRHNO-UHFFFAOYSA-N
rxn:4:193959:222628,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,DTDRTJDRTVYGKI-UHFFFAOYSA-N
rxn:4:193961:222584,Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCCN2CCNCC2)c(F)c1,HSASARGOKUJCRB-UHFFFAOYSA-N
rxn:4:193970:224425,CCCC1CCC(c2ccccc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,CNMVDCJYDTVKTQ-UHFFFAOYSA-N
rxn:4:193973:226043,COc1c(F)cc(Cl)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1[N+](=O)[O-],VOWKARKNVUAGQK-UHFFFAOYSA-N
rxn:4:193990:224820,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCC(=C4CCC4)CC3)cc2)c1)N1CCOCC1,GWNPOJPNJBQMAP-UHFFFAOYSA-N
rxn:4:193999:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(C)c(C)cc3S(=O)(=O)N3CCC(C)CC3)cc2C)CC1,UDSUEZDXVSYSFY-UHFFFAOYSA-N
rxn:4:194712:223938,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)cc2cc(Cl)ccc21,DGTJJUSTESNYIU-UHFFFAOYSA-N
rxn:4:194730:224612,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc32)CC1,HHJISKPIFQSHQE-UHFFFAOYSA-N
rxn:4:194731:224650,COC1CCN(C2CCc3ccc(-c4cc(F)ccc4OCC4CCOCC4)cc32)CC1,CTGOOWGSMBYLKX-UHFFFAOYSA-N
rxn:4:194748:224634,COc1ccc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)cc1CN1CCOCC1,SMKJETLJQQEVRA-NAKRPHOHSA-N
rxn:4:194748:224782,CN1CCN(c2cc(-c3ccc([C@@]45C[C@@H]4CN(C4CCOCC4)C5)cc3)cc(F)c2F)CC1,QQCPAUYHUQEWLF-AMGIVPHBSA-N
rxn:4:194748:225233,CC1CCCN(c2cc(-c3ccc([C@@]45C[C@@H]4CN(C4CCOCC4)C5)cc3)cnc2Cl)C1,ZDTWQENQYYCWFC-ODBRLQTDSA-N
rxn:4:194768:224877,COC1CCN(C2CCCc3cc(-c4ccc(COC5CCCCC5)cc4)ccc32)CC1,SWUVHFKXSGHOBG-UHFFFAOYSA-N
rxn:4:194810:225124,COC(=O)C1=C2CCCN2c2cc(-c3ccnc(OCC4CCOCC4)c3)ccc2S1(=O)=O,RRTQZSCENJQZBB-UHFFFAOYSA-N
rxn:4:194810:225525,CCOC(=O)CCc1ccccc1-c1ccc2c(c1)N1CCCC1=C(C(=O)OC)S2(=O)=O,GRWHPXBLKMSAJI-UHFFFAOYSA-N
rxn:4:195581:223480,Cc1cc(-c2cncc(S(C)(=O)=O)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QAPFZDPZWQVHDN-UHFFFAOYSA-N
rxn:4:195788:223493,CSc1ncc(C)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,FMGBTVFHHPVTPR-UHFFFAOYSA-N
rxn:4:197406:223490,COc1c(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c2cccnc12,KZLZPJCGMJNSEX-UHFFFAOYSA-N
rxn:4:197914:223588,Cc1cc(-c2cccc3c2CN(C2CCOCC2)C3=O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UFZOPSJESMHUIC-UHFFFAOYSA-N
rxn:4:197971:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc2c1CCC2N1CCCCC1C,UBAQHNACMZPVBA-UHFFFAOYSA-N
rxn:4:197972:224009,COc1ccc(-c2cccc3c2CCC3N2CCCC(C)C2)cc1S(=O)(=O)N1CCOCC1,UGPSHNKVGFPSOO-UHFFFAOYSA-N
rxn:4:197986:223900,CC1CCCCN1C1CCCc2c(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)cccc21,KXOWIVQZOOBWDN-UHFFFAOYSA-N
rxn:4:197987:223867,CC1CCN(CCCOc2cccc(-c3cccc4c3CCCC4N3CCCC(C)C3)c2)CC1,ZRGAPXOIJNUYDZ-UHFFFAOYSA-N
rxn:4:197990:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCCC4N3CCCC(C)C3)c(F)c2)CC1,BOAWCICWNIOJGQ-HOFMNPQRSA-N
rxn:4:197991:224194,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)cc2Cl)CC1,BFOMFTYMNVTPDU-UHFFFAOYSA-N
rxn:4:199334:223526,CN1CCC(C)(C)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc21,KREBSZCCVAIYHT-UHFFFAOYSA-N
rxn:4:199557:226577,CN(C)C(=O)c1cc(Cl)cc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1,DFBZJECIJVSTEU-UHFFFAOYSA-N
rxn:4:199570:225977,CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(-c2cc(Cl)cnc2N2CCOCC2)c1,KFDLJXYPQRSXKI-GOSISDBHSA-N
rxn:4:199577:226755,COC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)c(Cl)cc1F,RWLNKUFRNQDGCF-UHFFFAOYSA-N
rxn:4:199645:226897,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cnc(OCC(F)(F)F)nc2)n1,SBKDGEDVZPOEOW-UHFFFAOYSA-N
rxn:4:199661:224586,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)cn2)C1,VYMPYOTWCGRQJJ-UHFFFAOYSA-N
rxn:4:199685:222722,COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)C2)cc1,FWGSNATZEMOLDG-UHFFFAOYSA-N
rxn:4:199693:223525,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,NGBNRTOPNONMPG-UHFFFAOYSA-N
rxn:4:199693:223818,CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,DOEHWJAVRVLPLK-UHFFFAOYSA-N
rxn:4:199709:223529,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2)CC1,KVLHTYZNDFXROQ-UHFFFAOYSA-N
rxn:4:199709:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,QASVDKCOMPQNJK-UHFFFAOYSA-N
rxn:4:199712:223829,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C,VHGZWIIYLKFQOS-UHFFFAOYSA-N
rxn:4:199713:223841,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,QLCXSTQWMSRKGT-UHFFFAOYSA-N
rxn:4:199716:223776,CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)CC1,IZRXBZNEFNRTMP-UHFFFAOYSA-N
rxn:4:199741:224371,COC(=O)C1CCN(c2ncc(-c3cccc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,BGBSDQODIKSSPO-UHFFFAOYSA-N
rxn:4:199743:226607,CC(C)Oc1cc(Cl)cc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1F,XCODFIJIESCKOD-UHFFFAOYSA-N
rxn:4:199760:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)CC1,COMIUHXCTFKEQC-UHFFFAOYSA-N
rxn:4:199763:223530,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LCGYLYQSSQOZFM-UHFFFAOYSA-N
rxn:4:199778:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,JYGXJTXZWJKRSK-UHFFFAOYSA-N
rxn:4:199784:225286,COc1ccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QYCWPIBDALWPLT-UHFFFAOYSA-N
rxn:4:199787:223670,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-],RNZNZZNIZSDENP-UHFFFAOYSA-N
rxn:4:199787:225947,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-],CNIQSILCKSDOEZ-UHFFFAOYSA-N
rxn:4:199790:223241,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cncc(C2CCNC2)c1,AOBIHXPCGPLCQM-UHFFFAOYSA-N
rxn:4:199790:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,FVFNKBNYQARSHO-UHFFFAOYSA-N
rxn:4:199790:224371,COC(=O)C1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)cn2)CC1,QJVWGJGXLFGOEB-UHFFFAOYSA-N
rxn:4:199790:226421,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1N1CCCC1,KZKMGXVUGJHUFV-UHFFFAOYSA-N
rxn:4:199791:226149,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C(C)(C)C,ZCTWIAUTSBVCPA-UHFFFAOYSA-N
rxn:4:199791:228700,COc1ccc(-c2ccc(N(C)C)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ALYKEFRBVLCXTG-UHFFFAOYSA-N
rxn:4:199810:224273,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cc2ncccc2n1C(=O)OC(C)(C)C,DZFGWWHRTXLRRC-UHFFFAOYSA-N
rxn:4:199812:229124,Cc1ncc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1F,FNOMXLZKLYHWBN-UHFFFAOYSA-N
rxn:4:199817:224156,CCCOc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,RXSIOYGCRWMZPD-UHFFFAOYSA-N
rxn:4:199834:223770,CC1CN(CCc2ccc(F)c(-c3cc4c(C#N)cccc4n3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,NGJXTKMNIQUOPV-UHFFFAOYSA-N
rxn:4:199834:224080,CC1CN(CCc2ccc(F)c(-c3ccc(OCCCN4CCCCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,HMAXXCYMGZWHNH-UHFFFAOYSA-N
rxn:4:199834:225128,COC(=O)C1(c2ccc(F)c(-c3cc(CCN4CCN(C(=O)OC(C)(C)C)C(C)C4)ccc3F)c2)CC1,ZFCQALLFXVMBBF-UHFFFAOYSA-N
rxn:4:199835:224356,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)c1,RWSJYSQYUQWIRY-UHFFFAOYSA-N
rxn:4:199839:223670,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,UDINSFUFZBCRKV-JOCHJYFZSA-N
rxn:4:199839:225287,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc(Cl)ncc1C(=O)OC(C)(C)C,HUXKJECBUFLGLD-QGZVFWFLSA-N
rxn:4:199839:225778,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1ccc(-n2cccn2)cc1C#N,GUIDMENXMIPIOD-LJQANCHMSA-N
rxn:4:199840:225899,Cc1cc(-c2ccc(C3CCCN3C(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)n(C(=O)OC(C)(C)C)n1,XISORSHEHVVMAA-UHFFFAOYSA-N
rxn:4:199843:223534,CN(C)c1ccc(CN(C(=O)c2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2)C2CCS(=O)(=O)C2)cc1,WAPMBJVSKPTQSP-UHFFFAOYSA-N
rxn:4:199846:222631,CCOc1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,OCSQSEVFZQGXFN-UHFFFAOYSA-N
rxn:4:199847:225831,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)c(C)c3)c(OC)c2)CC1,RHFJHEHYOOHLGO-UHFFFAOYSA-N
rxn:4:199860:226739,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(C(C)=O)c([N+](=O)[O-])c1,NRNDUZIJGLQDGS-UHFFFAOYSA-N
rxn:4:199863:227092,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccc(C2CCC2)nc1C,ZBWUOWUFSWSESZ-UHFFFAOYSA-N
rxn:4:199865:223480,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RQNDEENTNNGDSA-MGBGTMOVSA-N
rxn:4:199867:226800,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(-n3cccn3)ncc2F)c(C2OCCO2)c1,SIIPRGTXRGGZTM-UHFFFAOYSA-N
rxn:4:199867:227462,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cnc3c(Cl)nccc3c2)c(C2OCCO2)c1,FDDMSEZBHDEYRP-UHFFFAOYSA-N
rxn:4:199869:222891,CCCOc1ccc(-c2cc(OC)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,WNEHPUCUALYNRY-UHFFFAOYSA-N
rxn:4:199870:223521,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,DUAKEEFUURDUDA-UHFFFAOYSA-N
rxn:4:199870:226595,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(Cl)c(OC(C)C)c1F,JOKNQRBERZPIRN-UHFFFAOYSA-N
rxn:4:199876:223748,COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,UWIRLXYWDJJXBN-UHFFFAOYSA-N
rxn:4:199881:227658,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cc(F)c(N(C)C)cc4Cl)cc3)=NC23CCCCCC3)cc(OC)c1OC,DUKZQTCMMMMSCQ-UHFFFAOYSA-N
rxn:4:200026:222767,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4ccc(NC(=O)c5cccnc5)cc4)cc3)C(=O)N2C1c1ccc(OC)cc1,WMMOQVCJQADFLL-UHFFFAOYSA-N
rxn:4:200026:227235,CCOc1ccc(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)cc1C#N,AOLJCOIWSZYPNC-UHFFFAOYSA-N
rxn:4:200066:222405,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C5NC(=O)NC5=O)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,UNOQJIYMZDKWKO-UHFFFAOYSA-N
rxn:4:200066:222720,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)ccc2OC3c2ccc(OC)c(OC)c2)cc1,MVIGCKPHEANPPB-UHFFFAOYSA-N
rxn:4:200066:223829,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCN(CC)CC5)ccc4C)ccc2OC3c2ccc(OC)c(OC)c2)cc1,IBKRJSURWYURCU-UHFFFAOYSA-N
rxn:4:200066:223846,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)cc(C5CC6CCC5(C)C6(C)C)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,XIWAXIQXJOSGMT-UHFFFAOYSA-N
rxn:4:200066:224659,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)N5CCN(C)CC5)c4)ccc2OC3c2ccc(OC)c(OC)c2)cc1,MPAHJIRSFAOOOJ-UHFFFAOYSA-N
rxn:4:200066:225498,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)ccc4F)ccc2OC3c2ccc(OC)c(OC)c2)cc1,JLHZTVDSDBZIIN-UHFFFAOYSA-N
rxn:4:200131:223529,COC(=O)Cc1cc(C#N)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1[N+](=O)[O-],DUGVXEXNXUBRAP-UHFFFAOYSA-N
rxn:4:200368:223034,CC(C)(C)NC(=O)c1cncc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C#N)c1,XQNUOSGEVUFDFE-UHFFFAOYSA-N
rxn:4:200368:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C#N)c2)CC1,AKILUGLUUZONQJ-UHFFFAOYSA-N
rxn:4:200368:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C#N)c2Cl)CC1,VGNJUWBRDWKWQF-UHFFFAOYSA-N
rxn:4:200384:222807,O=C(NC1CC1)c1cc(-c2ccccc2CCC(=O)N2CC(N3C(=O)COC3=O)C2)cc([N+](=O)[O-])c1,KWSCVKCXSMLQDW-UHFFFAOYSA-N
rxn:4:200470:224291,CC1CCCCN1CCOc1ccc([N+](=O)[O-])cc1-c1ccc(OCCN2CCOCC2)c(F)c1,ICSUQARJPDSCPH-UHFFFAOYSA-N
rxn:4:200473:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(O[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,QCIXLFHJFLAXIV-HSZRJFAPSA-N
rxn:4:200473:224352,CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)n2)C1,WYKYDKDXBNMPIX-MUMRKEEXSA-N
rxn:4:200555:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,IYYNTJMRZVTGNS-UHFFFAOYSA-N
rxn:4:200555:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,FCDHIQMEESVGGX-UHFFFAOYSA-N
rxn:4:200559:223928,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)co2)CC1,OXGFGEBOFVGBTF-UHFFFAOYSA-N
rxn:4:200559:226295,CC(C)OCc1ccc(F)cc1-c1coc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,AYQJHCZMDGONLV-UHFFFAOYSA-N
rxn:4:200595:223574,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,ADSBTADLAQQIFA-UHFFFAOYSA-N
rxn:4:200596:222517,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)CC1,MQYGIFUCYGOYJI-UHFFFAOYSA-N
rxn:4:200600:225976,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccnc(N2CCOCC2)c1F,YNMLTJKJEPORJC-UHFFFAOYSA-N
rxn:4:200604:226541,COC(=O)c1ccc(-c2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC,KRZQHNQHHCGNLI-GOSISDBHSA-N
rxn:4:200605:226457,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2CCOC2)c(F)c1,XMGHAHMTQKMSBF-UHFFFAOYSA-N
rxn:4:200608:224158,COc1ncc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,DJSQMJIYPCGVDF-UHFFFAOYSA-N
rxn:4:200648:223652,COc1ccc(Cl)c2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,KNWRAYIAAHMSPP-UHFFFAOYSA-N
rxn:4:200648:224076,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,NDIPCWAOHHTGIF-UHFFFAOYSA-N
rxn:4:200650:223602,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,BDSGEPRECNGMAO-UHFFFAOYSA-N
rxn:4:200650:226718,COc1nc(OC)c(-c2ccccc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1SC,PAJOUQGIXYOCKI-UHFFFAOYSA-N
rxn:4:200652:227470,CCCOc1ncc(-c2cccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)n1,LFPMQRJYJZXUAN-UHFFFAOYSA-N
rxn:4:200656:223492,Cc1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DCIFYSUKPWVJLA-UHFFFAOYSA-N
rxn:4:200657:227076,CCC(C)c1ccc(F)c(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C#N)c1,VQWBATMPGKBLFO-UHFFFAOYSA-N
rxn:4:200659:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,SRZKKAQFSQARRO-UHFFFAOYSA-N
rxn:4:200659:225799,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(OC4CCOCC4)c3)c(F)c2)CC1,XSIGHFUFAVQWRG-UHFFFAOYSA-N
rxn:4:200671:226281,CN(C)C(=O)Cc1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,XWSKERYQLMSAFX-UHFFFAOYSA-N
rxn:4:200698:224252,COC(=O)c1cc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)ccc1CN1CCN(C(C)C)CC1,DXOFEVKCMJCZIA-UHFFFAOYSA-N
rxn:4:200700:223888,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2)CC1,XIQYOLUYQUKIJM-UHFFFAOYSA-N
rxn:4:200702:223528,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,LPIVZCPHHMJQBK-UHFFFAOYSA-N
rxn:4:200702:224160,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1,YEBJUQWFERROEG-UHFFFAOYSA-N
rxn:4:200704:223525,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,GZPXJQMASFARPN-UHFFFAOYSA-N
rxn:4:200709:223520,CC(c1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RIPDNBBXXJTWRN-UHFFFAOYSA-N
rxn:4:200709:223884,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc2F)CC1,UBYHWFGOIMWEEK-UHFFFAOYSA-N
rxn:4:200709:225517,CN(C)CCCOc1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZMJFTIKCTUNVPE-UHFFFAOYSA-N
rxn:4:200709:226663,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCSCC4)nc3)ccc2F)CC1,VNBPHLIHMVKTBG-UHFFFAOYSA-N
rxn:4:200710:223121,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)NC4CC4)cc3)c2)CC1,QIJQYHPZCMOHEI-UHFFFAOYSA-N
rxn:4:200720:228326,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(OC)n1,CRFGVFOXGVPAGA-UHFFFAOYSA-N
rxn:4:200721:223886,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)c2)CC1,ONRUGIWRZSJMSO-UHFFFAOYSA-N
rxn:4:200727:223578,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc2F)CC1,RLUCXVHRUCWLGS-UHFFFAOYSA-N
rxn:4:200727:223932,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2F)CC1,GSDMOOFXOOTLRC-UHFFFAOYSA-N
rxn:4:200730:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)(F)F,GHHQELSLAYNXTK-UHFFFAOYSA-N
rxn:4:200734:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F,VDTYESUELPAKJK-UHFFFAOYSA-N
rxn:4:200744:223608,COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)C1,SUKSOCZPFPUGOM-UHFFFAOYSA-N
rxn:4:200763:223490,COc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CCN(C(=O)OC(C)(C)C)CC1,QMOKKIAPOWTCLY-UHFFFAOYSA-N
rxn:4:200774:222935,COc1cccc(C2CC(c3ccc(-c4ccc(CNS(=O)(=O)N(C)C)cc4)cc3)=NN2S(C)(=O)=O)c1OC,NDAHBUGJMMFQET-UHFFFAOYSA-N
rxn:4:200781:222492,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(NC(=O)OCc3ccccc3)c(F)c2)c1,AKXKZCFTJDRDFT-UHFFFAOYSA-N
rxn:4:200781:226021,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)ccc2OCC(F)(F)F)c1,GFGCMDMZLGRBHK-UHFFFAOYSA-N
rxn:4:200791:223591,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c2)CCN1C(=O)OC(C)(C)C,XSUXXAGMAWJABD-NRFANRHFSA-N
rxn:4:200799:229228,N#Cc1sccc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COCC2=O)CC1,MJCLGEBBVKAKFH-UHFFFAOYSA-N
rxn:4:200802:222967,CCOc1ccc(-c2cccc(C(=O)NCC(C)C)c2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,IOSOFECDMHIWOL-UHFFFAOYSA-N
rxn:4:200813:223591,CC(c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,MZZFHDWWEKAMIC-UHFFFAOYSA-N
rxn:4:200813:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,QZPAMMHDEWGAIK-UHFFFAOYSA-N
rxn:4:200813:224720,CC(c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,PLVYVTXTWYXTBQ-UHFFFAOYSA-N
rxn:4:200815:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,KQDVYVDMXADRKI-UHFFFAOYSA-N
rxn:4:200817:223593,CC(c1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JLERFFPDMAJRAN-UHFFFAOYSA-N
rxn:4:200818:226021,C[C@H]1CN(Cc2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)c(Cl)c2)CCN1C(=O)OC(C)(C)C,IUAJXYLKZRFUTL-INIZCTEOSA-N
rxn:4:200821:226549,CCOc1c(Cl)cc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC,HYDZDYYGVOXLBW-UHFFFAOYSA-N
rxn:4:200821:227470,CCCOc1ncc(-c2ccc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)n1,KTVJGMQSHPAWSI-UHFFFAOYSA-N
rxn:4:200823:223106,Cc1cc(-c2cnc(N3CCC(O)C3)nc2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,STQKRVXVPVFIRH-UHFFFAOYSA-N
rxn:4:200823:223499,Cc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AYGQCKCDRUCCSP-UHFFFAOYSA-N
rxn:4:200823:226096,Cc1cc(-c2cccc(OCCC(C)C)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CHLLFZUDEOQJNJ-UHFFFAOYSA-N
rxn:4:200824:228249,COc1c(C)cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,NGFPVBZDAIBZGT-UHFFFAOYSA-N
rxn:4:200828:224187,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(OCCN3CCCCC3)cc2F)c(F)cc1F,FPFOWIHSTNCVCF-UHFFFAOYSA-N
rxn:4:200830:224404,COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC,RWANAOZKROKTJF-UHFFFAOYSA-N
rxn:4:200832:223695,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FDDKNMCOBMNCAS-UHFFFAOYSA-N
rxn:4:200839:223499,COc1c(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,NOYGVOSHUZEJEN-UHFFFAOYSA-N
rxn:4:200839:223637,COc1c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,JIMLAZLYWNSWMQ-UHFFFAOYSA-N
rxn:4:200839:223649,COc1c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,YZSDUXKIWGQILM-UHFFFAOYSA-N
rxn:4:200844:223490,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XKNHMCQDDURDJK-UHFFFAOYSA-N
rxn:4:200844:226268,CCCOc1c(SC)cccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2CC2)c1,YKUSFLBMCLNHLG-UHFFFAOYSA-N
rxn:4:200871:224720,Cc1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UNKYZARMDCBHNI-UHFFFAOYSA-N
rxn:4:200878:224634,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(OC)c(CN5CCOCC5)c4)o2)CC3)cc1,XPGYZSPUASTUOY-UHFFFAOYSA-N
rxn:4:200883:226897,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1-c1cnc(OCC(F)(F)F)nc1)C2,GOUAOUJJFATYEE-UHFFFAOYSA-N
rxn:4:200884:223788,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc1)C2,LKCCRKYQUXSJJG-UHFFFAOYSA-N
rxn:4:200884:224269,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc1)C2,WRYQHTHYNCPLDU-UHFFFAOYSA-N
rxn:4:200890:224795,CCOc1ccc(-c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,IKZJKTRIFIKQEB-UHFFFAOYSA-N
rxn:4:200897:222719,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(OC)cc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,CADWUBLNOPSHHA-UHFFFAOYSA-N
rxn:4:200903:222723,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2C(C)C)CC1,LLVGFMSYBCMPSB-UHFFFAOYSA-N
rxn:4:201109:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc2c(c1)N(CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)CO2,PLNHXAMIMGFGSI-UHFFFAOYSA-N
rxn:4:201124:225232,CC1CCN(c2cc(-c3ccc4c(ccn4CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,QNOUTLQLVUQBOD-UHFFFAOYSA-N
rxn:4:201134:223668,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)c3ccccc23)CC1,HBUDJSJUCIMRJK-UHFFFAOYSA-N
rxn:4:201140:222916,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4cccc(C(=O)NC5=NCCS5)c4)cc3)c3ccccc3S2(=O)=O)c1,CEGKWPOGDSECIR-UHFFFAOYSA-N
rxn:4:201144:224102,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cccc(C(=O)OCc5ccccc5)c4)cc32)CC1,ORTGPTPGVKOYHZ-UHFFFAOYSA-N
rxn:4:201182:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,NQBMWTWVEHYUMB-UHFFFAOYSA-N
rxn:4:201379:226655,CC(=O)n1nc(C)c(-c2cc(Cl)cnc2N2CCCC2)c1C(F)(F)C(F)(F)C(F)(F)F,VHMKVWRNTGSQDJ-UHFFFAOYSA-N
rxn:4:201765:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1,VNFPLBLXNQZPBQ-UHFFFAOYSA-N
rxn:4:201817:222723,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,VGGWJHIMWCXQCX-UHFFFAOYSA-N
rxn:4:201823:225873,O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1-c1cccc(N2CCOCC2=O)c1,GFNJNQUUHLWPFD-UHFFFAOYSA-N
rxn:4:201857:225871,O=C(Cc1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1)N1CC(N2C(=O)CCC2=O)C1,ZLCVKFCSKSUNAY-UHFFFAOYSA-N
rxn:4:201927:225665,CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3N3CCCCC3)cs2)CC1,NRUANELZMZGWQT-UHFFFAOYSA-N
rxn:4:201928:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)C2)n1,XNRAHCRXHWOGLE-UHFFFAOYSA-N
rxn:4:201947:223823,CC(C)(C)OC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N1CCCC1,UJLGHYUJPYRSAW-UHFFFAOYSA-N
rxn:4:201949:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(CN4CCN(C)CC4)c3)cc2)CC1,PEIBSWULCFLYMB-SOAUALDESA-N
rxn:4:201975:223997,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,FMUBIILKPZONPK-UHFFFAOYSA-N
rxn:4:201988:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OCC)c(F)c2)CC1,GPTVPIKSEVPLHL-SOAUALDESA-N
rxn:4:201996:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)CC1,DZNCNYWBSIOYKZ-UHFFFAOYSA-N
rxn:4:202001:224269,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)c1,OKAMQKMFZNIBTP-UHFFFAOYSA-N
rxn:4:202010:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)ccc2Cl)CC1,HKJUZZACYDIFMI-UHFFFAOYSA-N
rxn:4:202010:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,OGOLMENFSDQYAF-UHFFFAOYSA-N
rxn:4:202010:223975,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c2)C1,HAQZCVHEOGMZPT-UHFFFAOYSA-N
rxn:4:202015:222628,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cnc1N1CCOCC1,BTPJGNHANOWDID-UHFFFAOYSA-N
rxn:4:202015:223992,Cc1ccc(-c2cnc(N3CCOCC3)c(C(=O)OC(C)(C)C)c2)cc1S(=O)(=O)N1CCN(C)CC1,NWEIVCSHEURLIU-UHFFFAOYSA-N
rxn:4:202068:223128,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1ccc(CNC2CC2)c(F)c1,PAZBLGKPNLDFOJ-UHFFFAOYSA-N
rxn:4:202083:223697,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4Cl)CC3)cc2)c(C(F)(F)F)c1)N1CCCCC1,MVWBYMGILJOMSD-UHFFFAOYSA-N
rxn:4:202088:223997,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,VBPQHMPTEAXYJC-UHFFFAOYSA-N
rxn:4:202095:222787,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc(NC(=O)OC(C)(C)C)cc1Cl,NLUXCROWEUXEGH-UHFFFAOYSA-N
rxn:4:202097:224277,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)n2)CC1,KXCUIYPHADRUKB-UHFFFAOYSA-N
rxn:4:202101:223592,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cs1,PGCXYIABMVHKLW-UHFFFAOYSA-N
rxn:4:202101:223775,COc1ccc2c(c1)c(-c1csc(C3CCN(C(=O)OC(C)(C)C)CC3C)n1)cn2C(=O)OC(C)(C)C,OGUBIVNZSBGUHC-UHFFFAOYSA-N
rxn:4:202106:222465,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,OXFPPXYLBFJDDB-UHFFFAOYSA-N
rxn:4:202106:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)c1,OXNHKDBTBRJZRI-UHFFFAOYSA-N
rxn:4:202111:224277,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)cc2)CC1,IJAWZFQOLBOKKK-UHFFFAOYSA-N
rxn:4:202112:225636,CC(C)CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(C)CC4)c3)cc2)CC1,COGMMCLPUKBRTQ-UHFFFAOYSA-N
rxn:4:202116:226661,CN1CCN(c2csc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,FMRVBAYADHVFBW-UHFFFAOYSA-N
rxn:4:202122:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)c(F)c2)CC1,FQPXRESBKYGYEN-RQNOJGIXSA-N
rxn:4:202127:223932,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,VGWGYXGGDBYKNS-UHFFFAOYSA-N
rxn:4:202128:226538,CCOC(=O)c1cc(Cl)ccc1-c1cncc(N2CCC(C(=O)OC(C)(C)C)CC2)c1Cl,KQJZRUJXPUHGSQ-UHFFFAOYSA-N
rxn:4:202130:222929,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c(F)n2)C1,GZKBXFTYCKVOEV-UHFFFAOYSA-N
rxn:4:202161:223957,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c1,FTQVOVVKHDIOPN-UHFFFAOYSA-N
rxn:4:202161:224625,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(Cl)c(OC(C)C)c(OC(C)C)c1,YBGLZKKHFLLGDV-UHFFFAOYSA-N
rxn:4:202209:223997,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,BZXOBWPHLBFSPB-UHFFFAOYSA-N
rxn:4:202228:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,FZCMQZRKJWCULV-SOAUALDESA-N
rxn:4:202236:223937,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)c1,VRETWVWSFXHQNC-UHFFFAOYSA-N
rxn:4:202236:225218,CC1CCCN(c2ncc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2Cl)C1,VLVKWWVPZAKGEU-UHFFFAOYSA-N
rxn:4:202244:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)c(F)c2)CC1,YNOIUQQLMCABHP-QVYRIUEQSA-N
rxn:4:202290:225506,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc5c(cnn5CC(C)C)c4)cc3)CC2)C1,MNYWMAUDJKKNQI-UHFFFAOYSA-N
rxn:4:202306:222624,CCN1CCN(Cc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc(C(C)(C)C)c2)CC1,SMQVHDWPGRUJNF-UHFFFAOYSA-N
rxn:4:202306:222732,CCN1CCN(Cc2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,QIYPDELAIWOPPQ-UHFFFAOYSA-N
rxn:4:202309:226446,Cc1nc(C2CCOC2)ccc1-c1ccc(CN(C)C2CCOCC2)c(N2CCOCC2)c1,RWCDUFPEBWQSGI-UHFFFAOYSA-N
rxn:4:202313:229048,O=C(C1CCN(Cc2ccccc2-c2cnn3c2CCC3)CC1)N1CCC(F)(F)CC1,DBGJURUPPDKVCW-UHFFFAOYSA-N
rxn:4:202318:224396,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)oc2N2CCOCC2)cc1,APBUGOIDSJPYDX-UHFFFAOYSA-N
rxn:4:202320:227001,CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(-c3cccc(SCC4CC4)c3)c2)CC1,VJERVRCOEACSPW-UHFFFAOYSA-N
rxn:4:202328:227839,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3c(C)cccc3C3CC3)CC2)CC1,VSHLYLFUIFEWBS-UHFFFAOYSA-N
rxn:4:202328:229009,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)cs3)CC2)CC1,WULUDERZQKPMIS-UHFFFAOYSA-N
rxn:4:202346:224105,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OC)c(OCc5ccccc5)c4)cc3)=NC23CCCCCC3)cc1,LMGPHMXJZUCHFB-UHFFFAOYSA-N
rxn:4:202413:223696,COC(=O)CCn1ncc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2c1=O,VFBSJGWHKGQYRC-UHFFFAOYSA-N
rxn:4:202564:223935,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cc3C2=O)C1,HZYUSEKXSGUWJV-UHFFFAOYSA-N
rxn:4:202689:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)CN(C3CCC(=O)N(C(=O)OC(C)(C)C)C3=O)C4=O)cn2)C1,SDQSOGNJCWZWBP-UHFFFAOYSA-N
rxn:4:202712:223118,CCCC(=O)Nc1cccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)c1,NBZDWHVDHHMEKT-QHCPKHFHSA-N
rxn:4:202713:222948,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc3C2=O)CC1,VHFSNYQEXJRYSO-UHFFFAOYSA-N
rxn:4:202714:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)CC1,URKDXAOHPWNEMS-UHFFFAOYSA-N
rxn:4:202714:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)ccc2C1,TVMILACGMMKACF-UHFFFAOYSA-N
rxn:4:202714:223934,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cc5ccc(F)cc5n4C(=O)OC(C)(C)C)cc23)C1,GZABEKUHPNOHDM-UHFFFAOYSA-N
rxn:4:202782:224192,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(F)ccc4CN4CCN(CC)CC4)ccc2OC3c2ccco2)cc1,XPNWGIQNPXEWMS-UHFFFAOYSA-N
rxn:4:202814:224824,CC(C)Oc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5OCCO5)cc(C(F)(F)F)c4)ccc2OC3c2ccc(Cl)cc2)cc1,YLTMBLNTEBRDKM-UHFFFAOYSA-N
rxn:4:202953:223695,COC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ncc1[N+](=O)[O-],QIYCDDOBJOKLTA-UHFFFAOYSA-N
rxn:4:203137:223504,CCOC(=O)c1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C)nn1C,YJCGQHLPSJXVQG-UHFFFAOYSA-N
rxn:4:203137:223650,CCOC(=O)c1c(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C)nn1C,FHKMEJWGCGFFHW-UHFFFAOYSA-N
rxn:4:203221:224128,CN(C(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccn2)cc1)C1CCCCC1,JRMQVKLRCQSLRL-UHFFFAOYSA-N
rxn:4:203545:224129,CN(C(=O)c1cccc(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)c1)C1CCCCC1,WGEADYJWVQITOR-UHFFFAOYSA-N
rxn:4:203565:223809,COC(=O)c1cn(C2CCCCO2)nc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1,CNQGRQVHVQZIJD-UHFFFAOYSA-N
rxn:4:203651:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1,JEEPHAHMLVPSTJ-WGSAOQKQSA-N
rxn:4:203757:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)cc2)CC1,AVLXAPWHNGFDOP-UHFFFAOYSA-N
rxn:4:203782:223578,COc1cc(N2CCCC(F)(F)C2)c(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1[N+](=O)[O-],XRLZYRFKDIGZIO-UHFFFAOYSA-N
rxn:4:203821:222612,CN1CCN(C(=O)Cc2cc(F)ccc2-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)CC1,ADZSPZUBIGYIFG-UHFFFAOYSA-N
rxn:4:203840:224375,CN1C(=O)C(CC(=O)c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2)C(=O)N(C)C1=O,GFMWYBOHNIKNAZ-UHFFFAOYSA-N
rxn:4:203866:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)ccc3CN3CCN(CC)CC3)c(F)c2)CC1,KWDSWRPFVIFAGB-HZCBDIJESA-N
rxn:4:203872:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)ccc3CN3CCN(CC)CC3)c(F)c2)CC1,UPXKLIXFDZBRPP-HZCBDIJESA-N
rxn:4:203897:222611,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)c2)CC1,ARCUFMIABVOXLD-UHFFFAOYSA-N
rxn:4:203940:222631,CC(C)(C)c1cc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc(C2CCNCC2)n1,NKSJSCZVYOEHPZ-UHFFFAOYSA-N
rxn:4:203972:222449,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1S(=O)(=O)NCc1ccccc1,WBMUTHWRYRYGQV-UHFFFAOYSA-N
rxn:4:203972:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc(C2CCCNC2)n1,XWJVJNBPSWJWAC-UHFFFAOYSA-N
rxn:4:203972:223506,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C)c2)CC1,WRUPLKFGDBHYFG-UHFFFAOYSA-N
rxn:4:203977:225616,O=C(c1ccccc1-c1ccccc1C(=O)N1CCC(N2C(=O)CSC2=O)CC1)N1CCCC1,VTWDFCAKIRVJMV-UHFFFAOYSA-N
rxn:4:203977:227506,O=C(c1ccccc1-c1cccc(/C=C/[N+](=O)[O-])c1)N1CCC(N2C(=O)CSC2=O)CC1,RXWTXEVEGVGOQA-MDWZMJQESA-N
rxn:4:203977:227544,COC(=O)c1ccc(F)cc1-c1ccccc1C(=O)N1CCC(N2C(=O)CSC2=O)CC1,ARVBIGMAUXMTIT-UHFFFAOYSA-N
rxn:4:203985:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1,ROTICQLBBDNKPW-UHFFFAOYSA-N
rxn:4:203985:226499,CC(C)(C)OC(=O)n1cccc1-c1ccccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1,QXPQNSGVQHBMSD-UHFFFAOYSA-N
rxn:4:203985:227533,COC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,LRCZYBTYEHTUDY-UHFFFAOYSA-N
rxn:4:203985:227671,Cc1cccc(C(F)(F)F)c1-c1ccccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1,XNMVDMAPYBVTAY-UHFFFAOYSA-N
rxn:4:203986:228872,COC(=O)c1sccc1-c1ccc(Cl)c(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,KYRPTLFSDAALGI-UHFFFAOYSA-N
rxn:4:204003:224733,CN(C)C1CCN(Cc2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)c(Cl)c2)CC1,QLSHLJSWLOZWBN-UHFFFAOYSA-N
rxn:4:204006:224733,CN(C)C1CCN(Cc2cc(F)cc(-c3ccc(OC(F)F)c(OC4CCC4)c3)c2)CC1,HEMVTVAYGBTFRA-UHFFFAOYSA-N
rxn:4:204007:224733,CN(C)C1CCN(Cc2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)c(F)c2)CC1,SUSKSSPLCYCBDQ-UHFFFAOYSA-N
rxn:4:204036:222684,CN(C)C1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OCCN3CCNCC3)c(Cl)c2)CC1,VBADFZMJQJWPSQ-UHFFFAOYSA-N
rxn:4:204082:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,KFADDQITNBBIFR-UHFFFAOYSA-N
rxn:4:204082:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,BFXHLOHXCWUYAS-UHFFFAOYSA-N
rxn:4:204082:226487,COC(=O)COc1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,LXDGFHQWFQWUAH-UHFFFAOYSA-N
rxn:4:204082:227543,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)ccc1F,LWRQXZVDMWZUGR-UHFFFAOYSA-N
rxn:4:204092:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)c(C)c3)cc2)CC1,ZDQVQXHJDLOUKA-MCZWQBSQSA-N
rxn:4:204094:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,FSZWZAOGKJETLM-DUYHBEBVSA-N
rxn:4:204096:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)cc2)CC1,STKBUSVRMXFPKV-UHFFFAOYSA-N
rxn:4:204099:225710,CCOC(OCC)c1ncccc1-c1ccc(CN2CCOCC2)c(N2CCOCC2)c1,GKMULDWAKPONCW-UHFFFAOYSA-N
rxn:4:204100:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)cc2)CC1,PKVBYRASAHOGRM-MCZWQBSQSA-N
rxn:4:204102:225661,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(N4CCOCC4)cc3C)cc2C)CC1,DNQIWGCHXXZMMV-UHFFFAOYSA-N
rxn:4:204109:226115,CC(C)CC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,OKKUHBGGMBHHSC-UHFFFAOYSA-N
rxn:4:204116:224672,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c(Cl)c2)CC1,KXXYKOPLXOCDOK-UHFFFAOYSA-N
rxn:4:204122:223522,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)nc2)cc1,AVWVXEWQJNUJOL-UHFFFAOYSA-N
rxn:4:204135:227505,O=[N+]([O-])/C=C/c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1,MDVAXEVPKXBMPU-GXDHUFHOSA-N
rxn:4:204140:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,JLZQRCSYBIZWCK-DUYHBEBVSA-N
rxn:4:204166:223140,CC1CCCCN1Cc1ccc(-c2ccnc(C3CCCNC3)c2)cc1N1CCOCC1,UVDYWEDVWMGYCK-UHFFFAOYSA-N
rxn:4:204179:225661,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(N5CCOCC5)cc4C)cc3C)CC2)cc1C,ZBSKPYVYBRZOIG-UHFFFAOYSA-N
rxn:4:204182:223696,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,MHPRUROHARQMFJ-UHFFFAOYSA-N
rxn:4:204350:223926,COCn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1C12COCC1O2,XGUIMUTXXDDSRY-UHFFFAOYSA-N
rxn:4:204403:223926,COCn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1C12CCCC1O2,DOHPXIWGKFKXLD-UHFFFAOYSA-N
rxn:4:204458:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2ncn(C(=O)OC(C)(C)C)c2c1,KOLARCYURTYAFW-UHFFFAOYSA-N
rxn:4:204507:224830,CC(C)(C)OC(=O)N1CCc2nc(-c3cc(C(F)(F)F)nn3C3CCCCO3)sc2C1,AYNZWATYAVLYIS-UHFFFAOYSA-N
rxn:4:204509:224760,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2C1,UNPZGKHVIUAADO-UHFFFAOYSA-N
rxn:4:204568:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(Cl)c4cccnc4c3OC(=O)N3CCOCC3)cc2C)CC1,UMVQZGJAUULNEJ-UHFFFAOYSA-N
rxn:4:204574:224283,CC(C)(C)Oc1ncc(-c2c(COC3CCCCO3)nn3c2CCC3)c(OC(C)(C)C)n1,YAULMFSLFRPJHN-UHFFFAOYSA-N
rxn:4:204644:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)c2Cl)CC1,RFEDSXIAZLNWHX-UHFFFAOYSA-N
rxn:4:204680:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc3c(n2)CCN(C(=O)OC(C)(C)C)CC3)c(Cl)cn1,FFFLQYLRXDWIOL-UHFFFAOYSA-N
rxn:4:204680:225890,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnn(COCC[Si](C)(C)C)c3)nc2CC1,QSLPJAQVHPOCDV-UHFFFAOYSA-N
rxn:4:204683:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cnc4c(c3)N(C(=O)OC(C)(C)C)CC4(C)C)ccc21,KNNLVEAOUMJVJM-UHFFFAOYSA-N
rxn:4:205162:223507,CCn1nc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)[O-],ADVRBCDXJWRQPE-UHFFFAOYSA-M
rxn:4:205637:223589,COC1(c2nc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)no2)CCOC1,HBJPKKFUXOVFEI-UHFFFAOYSA-N
rxn:4:205863:223577,COc1nc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1C1CCC1,RNMYUSBNSQLXEZ-UHFFFAOYSA-N
rxn:4:205897:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2nc(C(=O)N3CCOCC3)cs2)CC1,LZUBXPBYOSZLRY-UHFFFAOYSA-N
rxn:4:205992:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2Cl)CC1,ZJIDKDJTEGBUCJ-UHFFFAOYSA-N
rxn:4:206198:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3c(C4CCCC4)ccnc3C#N)cc2)C1,MQBQHCJZDWUIFG-UHFFFAOYSA-N
rxn:4:206440:224394,Cc1ccc(-c2cn(C3CCCCO3)nc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1,UETWWRFJPFTSBK-UHFFFAOYSA-N
rxn:4:206444:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)cc2F)CC1,OGOWJMAGZZNDBQ-UHFFFAOYSA-N
rxn:4:206487:223697,CCc1nc(N2CCOCC2)sc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,WJEFJOUFZPDVNE-UHFFFAOYSA-N
rxn:4:206544:223748,FC(F)(F)c1cc(N2CCOCC2)ncc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,IJAOHAJVGYKSJR-UHFFFAOYSA-N
rxn:4:206747:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cccc([N+](=O)[O-])c1N1CCC(F)(F)CC1,PDRKSSIDWLUIEI-UHFFFAOYSA-N
rxn:4:206793:224009,COc1ccc(-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,JQDFVMIDEVQXKA-UHFFFAOYSA-N
rxn:4:206807:225774,CC(C)OC(=O)c1cc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)ccc1F,YSNJNLNVWAPHOV-UHFFFAOYSA-N
rxn:4:206963:224405,CS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,APFBEWBNBSHXCZ-UHFFFAOYSA-N
rxn:4:207010:223883,CC(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cn1C1CCCCC1,IRAAZPGFRQWCEH-UHFFFAOYSA-N
rxn:4:207037:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCCN(C)CC4)c3)cc2)CC1,YGLSDEBABHBPNJ-UHFFFAOYSA-N
rxn:4:207057:222721,Cc1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,DJWUPCFBUHFNOR-UHFFFAOYSA-N
rxn:4:207062:223579,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,DNYWJSIDXKVUMK-UHFFFAOYSA-N
rxn:4:207081:223945,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)c1)C2,RZEUMYVOGJOJQE-UHFFFAOYSA-N
rxn:4:207575:223695,CCn1ncc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1C12CCCCC1O2,WVQDJZLHJXVKNA-UHFFFAOYSA-N
rxn:4:207782:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CC(C(=O)N3CCN(C)CC3)O4)cc2)CC1,NVBVMLPUESLRII-SOHZNPICSA-N
rxn:4:207852:222622,CCC(C)c1cc(-c2ccc(N3C(=O)N(c4ccccc4C)C4CS(=O)(=O)CC43)cc2)cc(C2CCCNC2)n1,LKLNYBQNOSOFMZ-UHFFFAOYSA-N
rxn:4:207946:222449,COc1ccc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc1S(=O)(=O)NCc1ccccc1,WOOPHWNLXMECQD-UHFFFAOYSA-N
rxn:4:207946:223926,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DCUOBKUTHMBWRE-UHFFFAOYSA-N
rxn:4:207946:224590,COc1cc(-c2ccc(CN3CCC(C)CC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,YYDQMEVCEDCYEZ-UHFFFAOYSA-N
rxn:4:207946:224650,COc1cc(-c2cc(F)ccc2OCC2CCOCC2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,SFWWLITUIFQYLK-UHFFFAOYSA-N
rxn:4:207946:225952,COc1cc(-c2cnc(N3CCOCC3)nc2C)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ZDUHZXQURRWRFK-UHFFFAOYSA-N
rxn:4:207946:226438,COc1cc(-c2cnc(C3CCCC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,MVAIWJOUAXPYJW-UHFFFAOYSA-N
rxn:4:207965:226123,COCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)cc1C1CC1,MBORBVIDBZRISY-UHFFFAOYSA-N
rxn:4:208106:223482,CCc1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)s1,NQTVLXJNBBDZCV-UHFFFAOYSA-N
rxn:4:208190:223539,COc1ccc(-c2c(Cl)ncnc2C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,PLXKOVCZSDBWFD-UHFFFAOYSA-N
rxn:4:208492:223501,CC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)nn1C,HUTAQUFFLGQODU-UHFFFAOYSA-N
rxn:4:209671:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCC(=O)CC4)c3)c(F)c2)CC1,XSUGKXQGGVGFQC-UHFFFAOYSA-N
rxn:4:209812:223844,Cc1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cnn1C1CCS(=O)(=O)CC1,DJDXSQMMKYVCKZ-UHFFFAOYSA-N
rxn:4:211097:225346,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc1S(=O)(=O)N(C)C,BSAGMMXGZGZTOD-UHFFFAOYSA-N
rxn:4:211099:224620,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)ccc2OC32CCCC2)cc1,TVNINSUEOYCYGL-UHFFFAOYSA-N
rxn:4:211099:224634,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCCC2)O3)cc1CN1CCOCC1,PTJPQZHWQMYKCL-UHFFFAOYSA-N
rxn:4:211101:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)cc3)=NN1C1(CCC(C)CC1)O2,XDARKLBZZVQDEI-UHFFFAOYSA-N
rxn:4:212499:223699,COCCOc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)nn1COC,DMPUKFRMOOLYKO-UHFFFAOYSA-N
rxn:4:212515:224403,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cnc(N2CCOCC2)c(C(F)(F)F)c1,RYFVYHJQIZJCAW-UHFFFAOYSA-N
rxn:4:212515:225044,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1,MFVIAZACNLWIEE-UHFFFAOYSA-N
rxn:4:212525:224656,COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1-c1ccc(OC)c(OC2CCCC2)c1F,NENXSQOWUHGNMT-UHFFFAOYSA-N
rxn:4:212542:223812,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,PMZJBIWOXIRUFO-UHFFFAOYSA-N
rxn:4:212571:222426,Cn1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,XXEYEEYIYJFVQO-UHFFFAOYSA-N
rxn:4:212593:223650,CN(C(=O)c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)nc1)C1CN(C(=O)OC(C)(C)C)C1,AVSJWVNGUCAGEO-UHFFFAOYSA-N
rxn:4:212605:225877,Cn1cc(-c2ccc(Cl)cc2N2CCOCC2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,WSXMFYAQASAIIV-UHFFFAOYSA-N
rxn:4:212636:223536,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,PQUFIOPRBMJYSA-UHFFFAOYSA-N
rxn:4:212647:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)c(Cl)cn1,JJYHQEPWZWGSMQ-UHFFFAOYSA-N
rxn:4:212653:223502,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,XXSGBJZJRJWZDP-UHFFFAOYSA-N
rxn:4:212658:223934,COC(=O)c1ncc(-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OC(C)(C)C)CC1,CZQLUNGWPJWFSU-UHFFFAOYSA-N
rxn:4:212658:224290,COC(=O)c1ncc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,JTOLZXMDTZKXBQ-UHFFFAOYSA-N
rxn:4:212704:225286,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)n1,USSSPZNIGHFYBN-UHFFFAOYSA-N
rxn:4:212704:225947,CN1CCN(c2ncc(-c3cccc(N(C)CC4CCN(C(=O)OC(C)(C)C)CC4)n3)cn2)CC1,PZNFZWZXOKGUDD-UHFFFAOYSA-N
rxn:4:212722:222628,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,RVIGQJBORWAABI-UHFFFAOYSA-N
rxn:4:212722:223508,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc2)C(=O)N2CCN(C)CC2)cc1,XOARRAKHZWEFRG-UHFFFAOYSA-N
rxn:4:212731:225879,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCOCC6)cc5F)cc4)C3)n2)c1,BMYVKIYUXUOOKA-UHFFFAOYSA-N
rxn:4:212738:223012,COC(=O)c1cc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(N4CCOCC4)c3)ccc2[nH]1,QMWSRKCFFQRLON-UHFFFAOYSA-N
rxn:4:212743:223530,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)CC1,VKIMCBPNIYUCNT-UHFFFAOYSA-N
rxn:4:212747:222457,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1N1CCOCC1,VFNCOHUKVMSURO-UHFFFAOYSA-N
rxn:4:212747:223773,COc1cccc2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)n(C(=O)OC(C)(C)C)c12,KVNLWXRRXNELEQ-UHFFFAOYSA-N
rxn:4:212750:228321,COC(=O)c1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)c1,QVTFRDJGDGZLMR-UHFFFAOYSA-N
rxn:4:212770:222426,CCOC(=O)c1nn2c(c1-c1ccc3c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N3)CN(C(=O)OC(C)(C)C)CC2,ZEMNYVYDCQUMCC-UHFFFAOYSA-N
rxn:4:212804:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OCc3ccccc3)CC2)cnc1Cl,GCKRUXIYDPOFPZ-UHFFFAOYSA-N
rxn:4:212830:225312,CN1CCCN(c2ncc(-c3ccc4[nH]c(C(=O)N(C)[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)cc4c3)cn2)CC1,MTNFLTAKHRCQHD-XMMPIXPASA-N
rxn:4:212937:225755,CCOC(=O)c1c(-c2cc(C(=O)OC)nc(C3CC3)c2)c(CN2CCOCC2)nn1C,YDVIUEPJRQQISA-UHFFFAOYSA-N
rxn:4:212939:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,CEBHFNDIFPLXMQ-UHFFFAOYSA-N
rxn:4:212942:223503,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)C1,OBJDIYRBLKBDIU-UHFFFAOYSA-N
rxn:4:212944:223387,CCOC(=O)c1cc(-c2cc(C(F)(F)F)cnc2N2CCN(C(=O)OCC)CC2)[nH]n1,CAGNTQYVMSRFEU-UHFFFAOYSA-N
rxn:4:212944:227042,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2c(C)cc(OCC)cc2C)CC1,ATNPFHFMLKOMAP-UHFFFAOYSA-N
rxn:4:212964:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)c2)CC1,FJMFHXIHYGGIJS-UHFFFAOYSA-N
rxn:4:212966:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)c2)CC1,SJDSOOJBTFHPEX-UHFFFAOYSA-N
rxn:4:212970:226502,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccn(C(=O)OC(C)(C)C)c1,OJBMPQRSDAYFFB-UHFFFAOYSA-N
rxn:4:212988:226413,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc(N4CCOCC4)c3)n2)CC1,SIEOHMGXQBIROM-UHFFFAOYSA-N
rxn:4:212989:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(N4CCOCC4)c3Cl)s2)CC1,MMQLWDUURNXTNI-UHFFFAOYSA-N
rxn:4:213005:222584,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)nc1,MOSSOSBKWPJTLL-UHFFFAOYSA-N
rxn:4:213007:223831,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(OC)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cc1F,BQIIJFNXOWYJNW-UHFFFAOYSA-N
rxn:4:213031:222776,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(CN4CCC(O)CC4)cc3F)cn2)C1,XVDRIXNXHOFDML-UHFFFAOYSA-N
rxn:4:213031:224704,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cn2)C1,UOLYEXVZBAWFLZ-UHFFFAOYSA-N
rxn:4:213041:224162,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cn2)CC1,CFRLMPMPBQMVNM-UHFFFAOYSA-N
rxn:4:213043:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1,OLBVORQOJVELLN-UHFFFAOYSA-N
rxn:4:213045:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C(=O)C3CCC3)C2)nc1,CCXQSGJVFMZXCO-UHFFFAOYSA-N
rxn:4:213073:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccnn1CC1CCN(C(=O)OC(C)(C)C)CC1,UYNHBXOFKNDLGY-UHFFFAOYSA-N
rxn:4:213078:223602,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c2C(F)F)CC1,RAJRMZPBCJEILF-UHFFFAOYSA-N
rxn:4:213079:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ccc2F)CC1,SADCCVDJMJMHBD-UHFFFAOYSA-N
rxn:4:213092:227549,COC(=O)c1cc(Cl)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N,QOGBAABSGRXOEA-UHFFFAOYSA-N
rxn:4:213094:223761,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)CC1,AOSFEDLUBBFKCP-UHFFFAOYSA-N
rxn:4:213097:223061,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,XEUVLGISDUFEOE-UHFFFAOYSA-N
rxn:4:213097:224081,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cn2)CC1,JYGLZUKZAQXDIZ-UHFFFAOYSA-N
rxn:4:213133:227766,CCn1nc(C(F)(F)F)cc1-c1cnc(OCC2CCN(CC3CCCO3)CC2)nc1,KGQOBHCFLFPOST-UHFFFAOYSA-N
rxn:4:213138:223937,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cnc2F)CC1,LAYZLVVLQFVAIR-UHFFFAOYSA-N
rxn:4:213138:224718,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCCN4CCOCC4)nc3)cnc2F)CC1,AAVRMPAKPVMESS-UHFFFAOYSA-N
rxn:4:213141:222929,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)CC1,IARIUSJKDUZDKV-UHFFFAOYSA-N
rxn:4:213141:223937,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,CDDJAZNABWUGAW-UHFFFAOYSA-N
rxn:4:213143:227042,CCOc1cc(C)c(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,IACUWCLCTUPBOG-UHFFFAOYSA-N
rxn:4:213147:223167,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccnc(N4CCNCC4)c3)c2)CC1,JQSRDMZYVSRDOE-UHFFFAOYSA-N
rxn:4:213147:225531,CCN(CC)Cc1cc(F)ccc1-c1cncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,CQFNWIAWXZWIEK-UHFFFAOYSA-N
rxn:4:213168:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(-c4ccc(SCC(=O)N5CCC(C)CC5)nn4)cc3)c2)CC1,DRVVNQZDIWWLGO-UHFFFAOYSA-N
rxn:4:213180:224061,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)oc5C)CC4)nc3)c(F)c2)CC1,UAEFBGONSUIJGT-UHFFFAOYSA-N
rxn:4:213192:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1,HUANVPGKGZLVNB-RQNOJGIXSA-N
rxn:4:213195:223027,CCCNC(=O)c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,DJEZTEIGPCJVIH-UHFFFAOYSA-N
rxn:4:213202:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1,YVDVSOLLOBHDBP-UHFFFAOYSA-N
rxn:4:213213:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1,KFFJAEHYFDTLDX-UHFFFAOYSA-N
rxn:4:213236:222538,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)cc1C,DINXOCRGZNFEKG-UHFFFAOYSA-N
rxn:4:213246:222787,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4Cl)cc3)CC2)n1,OIZNXBJFBOTLLT-UHFFFAOYSA-N
rxn:4:213260:228678,CC(C)Cn1nccc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,QUEOHZNCKJQEGO-UHFFFAOYSA-N
rxn:4:213275:223839,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)no3)CC2)cc1,HSVKMQVZZUBMAF-UHFFFAOYSA-N
rxn:4:213275:224015,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)no3)CC2)cc1,DOSAMHGEKVMOTA-UHFFFAOYSA-N
rxn:4:213289:225876,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(Cl)ccc2N2CCOCC2)CC1,HYNKBDIONHNNLH-UHFFFAOYSA-N
rxn:4:213354:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)c(F)c2)CC1,CMDQGSYJCHCCAZ-UHFFFAOYSA-N
rxn:4:213354:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)c2C1,YRXSIDLYYNNQKF-UHFFFAOYSA-N
rxn:4:213474:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)c1,PRYZLYNUXQYBSF-HKBQPEDESA-N
rxn:4:213474:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc2c(c1)C(F)(F)c1cc(-c3cnc([C@@H]4CC5(CC5)CN4C(=O)OC(C)(C)C)[nH]3)ccc1-2,SUXGFMWSGGCEMH-LJAQVGFWSA-N
rxn:4:213476:228792,CSc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1F,UGNFPYLJZLBGQJ-IOOMFELFSA-N
rxn:4:213476:229245,Cc1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)n(C)n1,IQJMKFNZDQQQAV-DUKOGOLDSA-N
rxn:4:213505:223696,COC(=O)Cn1c(C)nc([N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,YMLPQJSIXSNVSK-UHFFFAOYSA-N
rxn:4:213581:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OCCN3CCOCC3)nc2)CC1,ZDKZNIFEHKUTLL-UHFFFAOYSA-N
rxn:4:213626:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C2CN(C(=O)OC(C)(C)C)C2)c1,PHFFDRDSYRMBPW-UHFFFAOYSA-N
rxn:4:213661:222634,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,SFNNJGGAKOQONE-UHFFFAOYSA-N
rxn:4:213661:224672,CCOC(=O)C1CCN(c2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)CC1,XREDGGOUZHZQHQ-UHFFFAOYSA-N
rxn:4:213764:223520,CC(c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JBAIERHQOGBGPO-UHFFFAOYSA-N
rxn:4:213764:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)C2)cn1,UQXVSAIAIBSFCT-UHFFFAOYSA-N
rxn:4:213767:226716,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccn(C(=O)OC(C)(C)C)n3)o2)CC1,KLGFFVKACQYNSB-UHFFFAOYSA-N
rxn:4:213786:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CC(S(=O)(=O)c4nccn4C)C3)c2)CC1,YEGNXQGFODONQN-UHFFFAOYSA-N
rxn:4:213794:224864,CC(C)N(Cc1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)cc1)C(C)C,OVZSYJOCDXCXEY-UHFFFAOYSA-N
rxn:4:213798:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)c1,VFDFGEFTEZLFQS-UHFFFAOYSA-N
rxn:4:213798:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)cn2)cnc1Cl,WPVZGZCWMNHTPU-UHFFFAOYSA-N
rxn:4:213799:223652,COc1ccc(Cl)c2cc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)n(C(=O)OC(C)(C)C)c12,UTVFRFWOJQIZRO-UHFFFAOYSA-N
rxn:4:213799:225980,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(N4CCOCC4)ncc3F)ncn2)C1,NIIKLDANOUMLPV-UHFFFAOYSA-N
rxn:4:213800:223480,Cc1cc(-c2cc(C3COCCN3C(=O)OC(C)(C)C)ncn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JSKBXMHNNDZBLZ-UHFFFAOYSA-N
rxn:4:213801:224718,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,GMYNCIZRENOGLR-UHFFFAOYSA-N
rxn:4:213835:223931,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,QAUAIGYZQXTAHY-UHFFFAOYSA-N
rxn:4:213836:226654,CC1CCN(c2nc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cs2)CC1,VFAIDWIHWWEAMX-UHFFFAOYSA-N
rxn:4:213838:222787,CC(C)(C)OC(=O)Nc1ccc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WXXFBQZBSQKFMZ-UHFFFAOYSA-N
rxn:4:213839:223591,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,CKBYFAVBFCMSOM-UHFFFAOYSA-N
rxn:4:213865:224366,Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccncc2-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)C1,MDANKSDNOYTUAU-UHFFFAOYSA-N
rxn:4:213874:223934,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)ccn2)CC1,KUUOAXKTHSXIAA-UHFFFAOYSA-N
rxn:4:213875:223818,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)n2)CC1,OLOMBYMHDBRHLX-UHFFFAOYSA-N
rxn:4:213875:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,TTYBUHPCLQLDOG-UHFFFAOYSA-N
rxn:4:213877:223520,CC(c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,VGFDNIXQUVEZJV-UHFFFAOYSA-N
rxn:4:213879:225877,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(Cl)cc2N2CCOCC2)CC1,CMDPMMLINZJDKC-UHFFFAOYSA-N
rxn:4:213883:226675,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(C2CCCC2)nc1Cl,RFLVCNCHEXIZAO-UHFFFAOYSA-N
rxn:4:213884:223650,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,UOITUHBHJIVQKS-UHFFFAOYSA-N
rxn:4:213884:224991,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3cc(C4CC4)nc(N4CCCC4)c3)n2)CC1,UFHPYMGCMCJGGO-UHFFFAOYSA-N
rxn:4:213892:225519,CCOC(=O)CCc1ccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,LAHDTOJJOKNYKZ-UHFFFAOYSA-N
rxn:4:213894:224759,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OSWVWPQSHJLXGA-UHFFFAOYSA-N
rxn:4:213896:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1,RKGSWHHBTNKKMH-UHFFFAOYSA-N
rxn:4:213902:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,QKJIDMFTSIOJQS-UHFFFAOYSA-N
rxn:4:213902:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,CPMQWRRQGDBNQR-UHFFFAOYSA-N
rxn:4:213902:224279,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3)ncn4C(=O)OC(C)(C)C)cc2F)CC1,IQTQOLLEEMFMHY-UHFFFAOYSA-N
rxn:4:213933:225830,Cc1nc(N2CCCCC2)ncc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,PFSXAXIYKDBVBP-UHFFFAOYSA-N
rxn:4:213969:229236,COc1csc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)c1,XSURAVADGDGGAO-UHFFFAOYSA-N
rxn:4:213972:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,PXZAKSFSKQGPRE-UHFFFAOYSA-N
rxn:4:213973:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,IKFSKLQQRBPFOX-UHFFFAOYSA-N
rxn:4:213976:223886,CC1CN(c2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)n2)CCN1C(=O)OC(C)(C)C,FPQDLIPJSJTVDF-UHFFFAOYSA-N
rxn:4:213979:223499,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,LARWFSYUJUMHPU-UHFFFAOYSA-N
rxn:4:213979:223671,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,PUZKQMMDNQHAIJ-UHFFFAOYSA-N
rxn:4:213979:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)c(Cl)c1,RHIBYUVWEUULGS-UHFFFAOYSA-N
rxn:4:213987:225939,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C(F)(F)F)c(C(C)C)c1,KRAPNFNSTPSAPS-UHFFFAOYSA-N
rxn:4:213989:226723,COC(=O)c1cnc(OC)cc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,PZEYALYSDWDYCN-UHFFFAOYSA-N
rxn:4:213990:223671,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,BLNUOPDVEZCYNR-UHFFFAOYSA-N
rxn:4:214000:224273,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)cc1F,BMPPFJKRIUUPIX-UHFFFAOYSA-N
rxn:4:214011:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc1S(=O)(=O)N1CCOCC1,FWRQGNQXOYVLFX-UHFFFAOYSA-N
rxn:4:214011:226716,Cc1nn(S(=O)(=O)c2ccc(-c3ccn(C(=O)OC(C)(C)C)n3)cc2)c(C)c1S(=O)(=O)N1CCCC1,RFUVNQAULAFWAK-UHFFFAOYSA-N
rxn:4:214017:223775,COc1ccc2c(c1)c(-c1ccc(C(=O)N3CCC(Cn4nc(C)ccc4=O)CC3)cc1)cn2C(=O)OC(C)(C)C,QORRXGPCCJALQQ-UHFFFAOYSA-N
rxn:4:214027:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,VYVGJNXFIHFLJS-UHFFFAOYSA-N
rxn:4:214027:228143,CCCc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1Cl,OVVNNJFBPHJRRI-UHFFFAOYSA-N
rxn:4:214042:224819,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,VLWKTBWNUNFKFT-UHFFFAOYSA-N
rxn:4:214044:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)cc1,XSHZOPAWTQDPNW-UHFFFAOYSA-N
rxn:4:214047:223596,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,LOFXTZRTCIYCRD-UHFFFAOYSA-N
rxn:4:214054:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,ZOMQJEVCGDTRIJ-UHFFFAOYSA-N
rxn:4:214061:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(C2=N[C@@H](c3ccccc3)CO2)nc(C2=N[C@@H](c3ccccc3)CO2)c1,RPCGJNCRGVKTGV-FIRIVFDPSA-N
rxn:4:214061:223996,CN1CCN(c2ccc(-c3cc(C4=N[C@@H](c5ccccc5)CO4)nc(C4=N[C@@H](c5ccccc5)CO4)c3)c(C(F)(F)F)c2)CC1,ABWQQNBYPZXTJQ-ROJLCIKYSA-N
rxn:4:214062:226268,CCCOc1c(SC)cccc1-c1ccc(CN2CCN(CC)CC2)c(N2CCOCC2)c1,CIBZFRPSBOPYRZ-UHFFFAOYSA-N
rxn:4:214064:228929,CS(=O)(=O)N1CCN(Cc2ccc(-c3cncc(C(F)F)c3)cc2N2CCOCC2)CC1,KJCVNGIQMHWXSP-UHFFFAOYSA-N
rxn:4:214065:224089,Cc1nn(C(=O)c2ccc(-c3ccc(OCCN4CCC(C)CC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,RRXKOYLAGZGGJM-UHFFFAOYSA-N
rxn:4:214086:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCCC4)c3)cc2)CC1,QVEHQIJYWIQJCK-UHFFFAOYSA-N
rxn:4:214145:226838,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cnc(C#N)c(C(F)(F)F)c3)c2C1,BRTSVOQYRYNAEL-UHFFFAOYSA-N
rxn:4:214185:225367,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(N4CCC(F)(F)CC4)nc3)c2C1,GDXSSNASGVJQHM-UHFFFAOYSA-N
rxn:4:214185:225794,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(OC4CCCCC4)nc3)c2C1,SOKGFWYPUIDHAS-UHFFFAOYSA-N
rxn:4:214185:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,PBWBXXAXRJDSBD-UHFFFAOYSA-N
rxn:4:214185:227841,Cc1cc(C)c(C)c(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1C,QSTFVYYJOHNVIR-UHFFFAOYSA-N
rxn:4:214231:225798,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccc(OC5CCOCC5)nc4)cccc3n2)C1,KLDCTGOUDZMMQK-UHFFFAOYSA-N
rxn:4:214231:225982,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCOCC5)cc4F)cccc3n2)C1,FDHBXDFFMOEPKB-UHFFFAOYSA-N
rxn:4:214236:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,KSKZZOZRDZEQRZ-UHFFFAOYSA-N
rxn:4:214236:224081,CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccccc2CCO[Si](C)(C)C(C)(C)C)C1,YCRAFWZTPHZBFG-UHFFFAOYSA-N
rxn:4:214275:223573,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)CC1,JADKFOQOUMRUOL-UHFFFAOYSA-N
rxn:4:214275:223638,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc23)CC1,ZFTBQSDJEJKWMF-UHFFFAOYSA-N
rxn:4:214296:223928,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc23)CC1,MOPUFLRRGGDMAH-UHFFFAOYSA-N
rxn:4:214304:227703,COC(=O)c1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1F,LKEQKQHSHNNWPY-UHFFFAOYSA-N
rxn:4:214320:223525,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc32)CC1,KSNFDOXTVNCXGX-UHFFFAOYSA-N
rxn:4:214320:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1,PGQRHSAZXKXTEE-UHFFFAOYSA-N
rxn:4:214326:223598,O=c1c2ccccc2ncn1CC1CCN(Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,FQNXEFMWIWXCRD-UHFFFAOYSA-N
rxn:4:214390:222948,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc2OC32CCN(C(C)=O)CC2)cc1,IYYJDMTYPPKOSB-UHFFFAOYSA-N
rxn:4:214391:223897,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C)c(OCCCN5CCOCC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,VVVCDEQDVFSZQS-UHFFFAOYSA-N
rxn:4:214391:224741,COc1ccc(C2=NN3C(C2)c2cc(-c4c(OC)cc(C5OCCO5)cc4OC)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,PZLUPFKSKOLXPV-UHFFFAOYSA-N
rxn:4:214400:223606,N#CCn1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(C(F)(F)F)n1,KVEXEYRTARESEN-UHFFFAOYSA-N
rxn:4:214644:224371,COC(=O)C1CCN(c2ncc(-c3nc(OC(C)C)n(C4CCCCO4)n3)cn2)CC1,OKYUOQUZJDTHGT-UHFFFAOYSA-N
rxn:4:214660:225518,CCCCCOc1ncc(C)cc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,FKZQVUIHDVCSLS-UHFFFAOYSA-N
rxn:4:214703:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(CN4CCN(C)CC4)cc([N+](=O)[O-])c3)c2)CC1,VMEDZGOVKBZRBA-UHFFFAOYSA-N
rxn:4:214735:225313,CN1CCN(c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(F)c3)c(F)n2)CC1,SWBYITIROJEVIG-UHFFFAOYSA-N
rxn:4:214765:225327,CCCOc1ncc(C(F)(F)F)cc1-c1cccc(N2CCC(N(C)C)CC2)c1[N+](=O)[O-],ZCNKSYFMRBWMOW-UHFFFAOYSA-N
rxn:4:214766:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,DQEXTQBWGJRLBO-UHFFFAOYSA-N
rxn:4:214766:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1,URQUDDIBCLHYRC-UHFFFAOYSA-N
rxn:4:214773:224760,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1,DETOUJGBAJTENV-UHFFFAOYSA-N
rxn:4:214774:224396,Cc1cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,VTIHCYCIWBMOTF-UHFFFAOYSA-N
rxn:4:214802:224817,O=C(C1CN(c2ncccc2-c2ccccc2S(=O)(=O)N2CCOCC2)CCO1)N1CCCC1,LUOPIQMXNQSPEV-UHFFFAOYSA-N
rxn:4:214829:226496,CCN(CC)c1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cn1,VTSKTRCUMWOWPW-UHFFFAOYSA-N
rxn:4:214830:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,XRDCVNOYGNWQBJ-UHFFFAOYSA-N
rxn:4:214830:226255,CCCCOc1ccc(Cl)cc1-c1ccc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,GXZWOROSJBMJBU-UHFFFAOYSA-N
rxn:4:214836:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,YZWJIDFWHAXYCL-UHFFFAOYSA-N
rxn:4:214836:227218,O=C(C1CN(c2ncc(Cl)cc2-c2ccccc2OCCCF)CCO1)N1CCSCC1,XUKNJPUODOHEDJ-UHFFFAOYSA-N
rxn:4:214837:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cn2)CC1,JRGSRQLNQFZLKI-UHFFFAOYSA-N
rxn:4:214839:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,IUAMRIYWYLEJML-UHFFFAOYSA-N
rxn:4:214857:222465,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)n1,QQBYQEFNJLVENP-UHFFFAOYSA-N
rxn:4:214857:223481,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)n1,QAOMVWOAWATIME-UHFFFAOYSA-N
rxn:4:214862:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c2)CC1,OOAVUBYCPDECIX-UHFFFAOYSA-N
rxn:4:214871:225641,CC1CCCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)ccn2)C1,LDVHQDDAOXGAOL-UHFFFAOYSA-N
rxn:4:214872:226782,COC(=O)c1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,KUBMFHRZVYTTBH-UHFFFAOYSA-N
rxn:4:214874:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,OOYABGLYKNHWGI-UHFFFAOYSA-N
rxn:4:214875:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,PHWSRZQUCXIHOR-UHFFFAOYSA-N
rxn:4:214880:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,QDINMZNHGWYOEJ-UHFFFAOYSA-N
rxn:4:214886:223186,O=C(C1CCN(c2ncc(-c3cnn(C4CCCCO4)c3)cc2F)CC1)N1CCC(F)(F)CC1,FIJWAAIUVZKIGJ-UHFFFAOYSA-N
rxn:4:214894:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)cc2)CC1,VVVRCRFKDMBVGP-QVYRIUEQSA-N
rxn:4:214900:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,LTCZHKXYRUHQJE-DIVCQZSQSA-N
rxn:4:215019:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc4cnn(C(=O)OC(C)(C)C)c34)cn2)CC1,BOGYIJNQMMUVNZ-UHFFFAOYSA-N
rxn:4:215065:222810,CC(C)(C)OC(=O)Nc1cc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c(Cl)cn1,XLGUSMPFCAKRTR-UHFFFAOYSA-N
rxn:4:215065:223606,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2C1,BPQWUZRPVITOIO-UHFFFAOYSA-N
rxn:4:215096:222799,Cc1cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)ccc1S(=O)(=O)NC(C)(C)C,LPSCTLQCWRNRRT-UHFFFAOYSA-N
rxn:4:215096:223502,CC1c2cnc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n2CCN1C(=O)OC(C)(C)C,OFIMZSLHMXCEGG-UHFFFAOYSA-N
rxn:4:215096:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)C2C,SMTMHWDCHSQUQX-UHFFFAOYSA-N
rxn:4:215100:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,PWHVMEDISCVWLW-UHFFFAOYSA-N
rxn:4:215101:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2Cl)CC1,HIYDFBYHEGLBFF-UHFFFAOYSA-N
rxn:4:215104:224356,CC(C)(C)OC(=O)N1CCc2c(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)ncn2CC1,MLMXCRJLXZNYQU-UHFFFAOYSA-N
rxn:4:215108:224397,Cn1nc2c(c1-c1ccc(S(=O)(=O)N3CCC(=O)CC3)cc1)CCN(C(=O)OC(C)(C)C)C2,ULFGAUUGOQQDBS-UHFFFAOYSA-N
rxn:4:215146:226714,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4ccnn4C(=O)OC(C)(C)C)c3)c2C1,ZMVJKBHRNHRGFX-UHFFFAOYSA-N
rxn:4:215148:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2,TXRHBQFEXYGWMX-UHFFFAOYSA-N
rxn:4:215201:222927,Cc1nc(N2CCCCC2O)ncc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,LTFLXOPQXFIGRK-UHFFFAOYSA-N
rxn:4:215202:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c2)CC1,YWCHFNNWRDYITJ-UHFFFAOYSA-N
rxn:4:215214:227889,COCCc1ccccc1-c1cnc2n1CC1(COCCN(C(=O)OC(C)(C)C)C1)C2,DTMOXXRLIUITKP-UHFFFAOYSA-N
rxn:4:215214:228239,COc1nc(C)c(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1C,YMAUBZVUKMWWMM-UHFFFAOYSA-N
rxn:4:215216:226259,CCCCOc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1Cl,WDHZLQYEONFVAK-UHFFFAOYSA-N
rxn:4:215303:222389,CCCN1CCC2(CC1)Oc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,BICTXYCSWJCKLY-UHFFFAOYSA-N
rxn:4:215303:224361,CCCN1CCC2(CC1)Oc1ccc(-c3ccc(OC)c(S(=O)(=O)N(CC)CC)c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,YOPNYUSHXRSIOF-UHFFFAOYSA-N
rxn:4:215303:225794,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(OC4CCCCC4)nc3)cc1C1CC(c3ccc4ccccc4c3)=NN12,WTPMHFLSUGEOEK-UHFFFAOYSA-N
rxn:4:215852:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)nc(C3CC3)n2)CC1,BQUWBBOKTDLXSK-UHFFFAOYSA-N
rxn:4:215897:222741,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1cc(C2CC2)nc(C2CCCNC2)c1,FTZCECPSMYSDAO-UHFFFAOYSA-N
rxn:4:215897:223658,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,NGYGZBKRPPLGJM-UHFFFAOYSA-N
rxn:4:215907:224830,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)CC1,VWRODHSDKDBRMD-UHFFFAOYSA-N
rxn:4:215928:223992,Cc1ccc(-c2cc(N3CCOCC3)nc(C(C)C)n2)cc1S(=O)(=O)N1CCN(C)CC1,UHHKKEVFOZPJBA-UHFFFAOYSA-N
rxn:4:215942:222584,CN(C)C1CCN(c2cccnc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,OVOAWIFXDAYSRJ-UHFFFAOYSA-N
rxn:4:215942:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,RBLRQNKDAMTHTH-YHBQERECSA-N
rxn:4:215943:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2)CC1,ITFNKKBTMIFAQI-RQNOJGIXSA-N
rxn:4:215965:222723,CC1CCN(c2cc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)nc(C3CC3)n2)CC1,ZCNYCEZBUKKDEI-UHFFFAOYSA-N
rxn:4:215970:225275,COCCOc1c(F)c(C)cc(-c2cnc(SC)nc2N2CCC3(CC2)OCCO3)c1F,RWPMLFOHUOUKFC-UHFFFAOYSA-N
rxn:4:215974:222389,c1cc(N2CCC(N3CCOCC3)C2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,PRMXRAFIAIOAEG-UHFFFAOYSA-N
rxn:4:216252:224159,CC(=O)N1CCc2c(c(-c3cccc4c3ccn4C(=O)OC(C)(C)C)nn2C2CCOCC2)C1,IHNTUQNGXKLPBO-UHFFFAOYSA-N
rxn:4:216252:225227,CC(=O)N1CCc2c(c(-c3cnc(N4CCC(C)CC4)c(Cl)c3)nn2C2CCOCC2)C1,AEGCCTDLNXOADU-UHFFFAOYSA-N
rxn:4:216252:225907,CCCc1ncc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1C(F)(F)F,JZMSYUHVFKUMRK-UHFFFAOYSA-N
rxn:4:216252:225996,CCOc1ncc(C(F)(F)F)cc1-c1nn(C2CCOCC2)c2c1CN(C(C)=O)CC2,KRIROYQNJPWVOW-UHFFFAOYSA-N
rxn:4:216906:223490,Cc1ccc(-c2nc(C3CCC3)nn2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IMXNRHMKIJPRQI-UHFFFAOYSA-N
rxn:4:217025:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnc(N4CCCC4)n3)cc2Cl)CC1,HFMKJAGFPIYXSC-UHFFFAOYSA-N
rxn:4:217092:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ncn(C2CCCCC2)n1,BILZPHYRZYNSEB-UHFFFAOYSA-N
rxn:4:217154:223506,Cc1nnc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCCCC1,VYYSHGJXORPNOB-UHFFFAOYSA-N
rxn:4:217162:223697,Cc1nc(N2CCN(C)CC2)sc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,NHJMFWQLPLHUCS-UHFFFAOYSA-N
rxn:4:217173:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nccc(N4CCCC(C)C4)n3)c2)CC1,ABPVHQVJGXCJEG-UHFFFAOYSA-N
rxn:4:217665:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2ncn(C(C)C)c2c(F)n1,HSOLPJNLYKYGLP-UHFFFAOYSA-N
rxn:4:217898:223598,Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(OCCN2CCC4(CC2)OCCO4)c(F)c1)CCCC3,HJTDSZBZAOKWOM-UHFFFAOYSA-N
rxn:4:217898:224009,COc1ccc(-c2c(C)nn3c(C(F)(F)F)c4c(nc23)CCCC4)cc1S(=O)(=O)N1CCOCC1,MSMXXWFFRORBOV-UHFFFAOYSA-N
rxn:4:217906:226014,COc1ccc(S(=O)(=O)OC)cc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,FWNQZNGBCWGXCQ-UHFFFAOYSA-N
rxn:4:217906:226027,CN1CCC2(CC1)Oc1ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc1C1CC(c3ccccc3)=NN12,OSHFRLXJPCWBOF-UHFFFAOYSA-N
rxn:4:217907:226027,CN1CCC2(CC1)Oc1ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)cc1C1CC(c3ccc(Cl)cc3)=NN12,HNWUULBNKKPVIC-UHFFFAOYSA-N
rxn:4:218518:223506,CN1CCn2ncc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2C1,WKLKGRGQDKJGGR-UHFFFAOYSA-N
rxn:4:218521:223648,CN1Cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nn2CS1(=O)=O,BQINFWURXWOWSV-UHFFFAOYSA-N
rxn:4:218578:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,KGMPWFFYPPVIKX-UHFFFAOYSA-N
rxn:4:218578:225232,CC1CCN(c2cc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)CC1,WWJOACNWBFAWBZ-UHFFFAOYSA-N
rxn:4:218578:225898,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,HRGQGKGBMHUDAG-UHFFFAOYSA-N
rxn:4:218600:223528,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,PABGCIYVQPAOCJ-UHFFFAOYSA-N
rxn:4:218604:222651,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)CC2)cn1,XIMLRIMDCYNRMC-UHFFFAOYSA-N
rxn:4:218664:225975,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)cc1,BPHVPELIHOYIQV-UHFFFAOYSA-N
rxn:4:218684:222608,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)c3)ccc2C#N)CC1,UWYCXOXSIZKFAE-UHFFFAOYSA-N
rxn:4:218695:222891,COc1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc(C2CCNCC2)n1,WOBJIENQIBUIQD-UHFFFAOYSA-N
rxn:4:218696:223506,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,LJOARKUICFJAFW-UHFFFAOYSA-N
rxn:4:218699:222948,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)ccc2C#N)CC1,PWDKHWBBVGETGB-UHFFFAOYSA-N
rxn:4:218699:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cccc(-c2ccc(C#N)c(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)c1,YFUYOTRWRUMBSJ-UHFFFAOYSA-N
rxn:4:218699:225438,CC(c1ccc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)cc1)N1CCCC1,OLUIXTOWYNLFHF-UHFFFAOYSA-N
rxn:4:218704:222809,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(Cl)ncc4NC(=O)OC(C)(C)C)cc3)n[nH]2)CC1,JUPSHRPMIQWHTH-UHFFFAOYSA-N
rxn:4:218711:227910,CCC(C)c1ccc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1,YLNIRJCAUYDUIN-UHFFFAOYSA-N
rxn:4:218750:223589,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)no2)c1=O,UKBJPMKNOZPILL-UHFFFAOYSA-N
rxn:4:218768:225977,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(Cl)cnc1N1CCOCC1,VDPGAADNLZLJRP-UHFFFAOYSA-N
rxn:4:218768:227480,CCCOc1nccc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1Cl,SIPYEMJTTRMHDQ-UHFFFAOYSA-N
rxn:4:218832:223812,O=C(c1cscn1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SUQLYPLCRLRHKV-UHFFFAOYSA-N
rxn:4:218851:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,DQLCZMZUEXHGST-UHFFFAOYSA-N
rxn:4:218851:225233,CC1CCCN(c2cc(-c3cnc(N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)cnc2Cl)C1,ZYJMOWIVDNDOKU-UHFFFAOYSA-N
rxn:4:218851:225829,CC1CCN(c2ncc(-c3cnc(N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)cn2)CC1,ONSMQEPRXMWMBQ-UHFFFAOYSA-N
rxn:4:218897:222546,O=C(c1ccncc1F)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,VCLGKTDVZGNTOG-UHFFFAOYSA-N
rxn:4:218915:223602,Cc1nc(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cs1,XSUMNHDKYDPLEZ-UHFFFAOYSA-N
rxn:4:218919:222634,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)cn1,AILZGSAIZHOMQC-UHFFFAOYSA-N
rxn:4:218944:223264,CNC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,YSXRYZHXCWFCMR-UHFFFAOYSA-N
rxn:4:218944:224270,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn(C(=O)OC(C)(C)C)c4ncccc34)cc2[N+](=O)[O-])CC1,POXNTQDHJRAPOI-UHFFFAOYSA-N
rxn:4:218944:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,SIXWPUIDQZWDKK-UHFFFAOYSA-N
rxn:4:218965:228225,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cc(Cl)cnc1C1CC1,LTMNRJAXCZLFGW-UHFFFAOYSA-N
rxn:4:218972:223812,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)s1,QDFQJPYIIANIPM-UHFFFAOYSA-N
rxn:4:218992:228357,COc1nc(C)c(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c(C)n1,FPQZJSROIHNKMC-UHFFFAOYSA-N
rxn:4:219011:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F,VIXUGRYAYVPEIM-UHFFFAOYSA-N
rxn:4:219012:225312,CN1CCCN(c2ncc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cn2)CC1,WIURLXGMSNWVKX-UHFFFAOYSA-N
rxn:4:219026:224997,CC1CN(C(=O)c2c(-c3ccc(C(=O)N4CCCCC4)cc3)cnn2C)CCN1C(=O)OC(C)(C)C,DYMZLPPYQJYFJR-UHFFFAOYSA-N
rxn:4:219029:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)cnn1C,FHZSQALHQKQXFQ-UHFFFAOYSA-N
rxn:4:219029:223149,CCOc1cc2cn[nH]c2cc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)cnn1C,FMJHDQYHXJKLHS-UHFFFAOYSA-N
rxn:4:219033:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cc12,JGCYRRMMQIBYMF-UHFFFAOYSA-N
rxn:4:219033:224404,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1,BCCQIQQDDOPIKU-UHFFFAOYSA-N
rxn:4:219051:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,FHGAJZHNUSCULK-UHFFFAOYSA-N
rxn:4:219051:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,AZHCAYNHCUEKCR-UHFFFAOYSA-N
rxn:4:219061:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)nc3)cc2)CC1,CEFTVEVJPACKPX-IWJLFLQVSA-N
rxn:4:219062:224597,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cc(C3CC3)cc(N3CCOCC3)c2)C1,PJZAKJLMUPXPRE-UHFFFAOYSA-N
rxn:4:219076:224414,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)F)nc4)cc3)n[nH]2)CC1,PEDVWEHWTQSSOJ-UHFFFAOYSA-N
rxn:4:219129:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2)CC1,OKVAJGPMZAXXHU-UHFFFAOYSA-N
rxn:4:219135:222777,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CN6CCC(O)CC6)c(Cl)c5)c4)C3C2=O)cc1,ZQBWIIYXZGVUJZ-UHFFFAOYSA-N
rxn:4:219135:225007,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(CN6CCCCC6)c5F)c4)C3C2=O)cc1,IIZFGIZMECBBMJ-UHFFFAOYSA-N
rxn:4:219142:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cc(C#N)c2[nH]nc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1,MOSVPSYZJZWQLA-UHFFFAOYSA-N
rxn:4:219142:225294,CCN1CCN(c2ncc(-c3cc(C#N)c4[nH]nc(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,PDHPGTDTBSBNHC-UHFFFAOYSA-N
rxn:4:219161:228349,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnn(C4CCOC4)c3)cnn12,CHBORMPSVMIQOS-UHFFFAOYSA-N
rxn:4:219207:222741,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)cs2)CC1,VVQMJPIXIXENOC-UHFFFAOYSA-N
rxn:4:219207:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)C7C8C=CC(C8)C7C6=O)CC5)n4)cc3)c2)CC1,PLODOLDVNLXVAZ-UHFFFAOYSA-N
rxn:4:219210:223812,COC(=O)Cn1nc([N+](=O)[O-])nc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,XFILGUIHOWVLTC-UHFFFAOYSA-N
rxn:4:219242:224771,Cc1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCCC1,IYBAGPPQUXEJLD-UHFFFAOYSA-N
rxn:4:219245:224773,Cc1cc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)ccc1S(=O)(=O)N1CCCC1,WPJMVTQFOWXILS-UHFFFAOYSA-N
rxn:4:219334:222634,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(OCCNC4CCCC4)c(F)c3)s2)CC1,XZDXPWDDKHSSJM-UHFFFAOYSA-N
rxn:4:219334:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,VOARSDZDDRGXRR-UHFFFAOYSA-N
rxn:4:219336:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cnn(CC2CN(C(=O)N3CCOCC3)C2)c1,DTKYAUXDHXJLTN-UHFFFAOYSA-N
rxn:4:219369:222773,Cn1c(-c2ccc(C(=O)NC3CCOCC3)cc2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,FXOUSTZCEDDWEV-LJQANCHMSA-N
rxn:4:219370:225312,CN1CCCN(c2ncc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,YMGFEYCXQCBHLG-UHFFFAOYSA-N
rxn:4:219372:225634,Cc1cc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCCCC1,RJEUYJGXJHLYMH-UHFFFAOYSA-N
rxn:4:219373:224817,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccccc3S(=O)(=O)N3CCOCC3)n2)CC1,UZSLOUWPHQITAT-UHFFFAOYSA-N
rxn:4:219374:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1,BTYOJCXCLKKJAA-UHFFFAOYSA-N
rxn:4:219374:226716,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccn(C(=O)OC(C)(C)C)n3)nn2)CC1,HIDBIRCVENOIEM-UHFFFAOYSA-N
rxn:4:219385:222584,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)c1F,XHPPXPCXUJIWDT-UHFFFAOYSA-N
rxn:4:219401:224486,CC(C)N(C(=O)c1cccc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)c1)C(C)C,RHSXIVSWBLQXBN-UHFFFAOYSA-N
rxn:4:219453:225672,CC(C)N1CCC(N2CC(Cn3cc(-c4cc(F)nc(C5CCCCC5)c4)cn3)C2)C1=O,HHUKUDQXDBMLTI-UHFFFAOYSA-N
rxn:4:219454:225936,Cc1c(-c2cc(C(F)(F)F)cnc2C(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,TUKJQKQIWJYMMR-UHFFFAOYSA-N
rxn:4:219454:225979,Cc1c(-c2cnc(N3CCOCC3)c(Cl)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,DQSXFMXRAIRAIO-UHFFFAOYSA-N
rxn:4:219455:222948,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cnc(N3CCC(O)CC3)nc2Cl)n[nH]1,CYOKWHLKAYPTFU-UHFFFAOYSA-N
rxn:4:219469:224752,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,XWMAJJHTJRSGQT-UHFFFAOYSA-N
rxn:4:219469:225831,CSc1ncc(-c2cnc(N3CCOCC3)c(C)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,LKKWVTVDQBZQBV-UHFFFAOYSA-N
rxn:4:219469:228200,CSc1ncc(-c2ccnn2C2CCCC2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,GGCXAEOIOFPHSC-UHFFFAOYSA-N
rxn:4:219487:223932,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cn2)CC1,YJQJZMASXWGRQS-UHFFFAOYSA-N
rxn:4:219529:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1OC,BLSGRPSXCZQQTD-UHFFFAOYSA-N
rxn:4:219530:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,JDDKEELSSDYNNU-UHFFFAOYSA-N
rxn:4:219530:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,TVDGILNPGKSUFI-UHFFFAOYSA-N
rxn:4:219531:223284,CSc1ncc(-c2ccc(NS(C)(=O)=O)cc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,OFBUXLWEDFUXIB-UHFFFAOYSA-N
rxn:4:219533:226857,CSc1ncc(-c2cc(OC(F)(F)F)ccc2F)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,AIMKEXHAJUKDMQ-UHFFFAOYSA-N
rxn:4:219551:228628,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cc(C5CCC5)cs4)cn3)CC2)C1=O,KCSIKMKBEBKTJM-UHFFFAOYSA-N
rxn:4:219560:225312,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cnc(N4CCCN(C)CC4)nc3)CC2)cn1C,WYRMSKUDNROSAY-UHFFFAOYSA-N
rxn:4:219639:223939,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cn3n2)C1,UHOCZHKEFYQNHT-UHFFFAOYSA-N
rxn:4:219651:226264,CCCCOc1ccc(-c2ccc(OC)cc2CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c(F)c1,MQOCDSFEJLYJEO-UHFFFAOYSA-N
rxn:4:219653:225294,CCN1CCN(c2ncc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cn2)CC1,DQQDWVSJBBHPHV-UHFFFAOYSA-N
rxn:4:219688:222947,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCCC(O)C5)nc4Cl)cn3n2)CC1,ASVZIDIWBHPNOM-UHFFFAOYSA-N
rxn:4:219688:223505,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3n2)CC1,IZYPIIDYDBEQFY-UHFFFAOYSA-N
rxn:4:219688:224761,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)cn3n2)CC1,RSQHYLOZSHUKJF-UHFFFAOYSA-N
rxn:4:219689:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn34)cc(C(F)(F)F)c2)CC1,DMUWCQTUFVWSPY-UHFFFAOYSA-N
rxn:4:219692:224157,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c3cnc(Cl)nc32)CC1,AZHINUWIRXXMRY-UHFFFAOYSA-N
rxn:4:219696:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6n5C)CC4)o3)c2)C1,YWBXBJLJTFMRSX-UHFFFAOYSA-N
rxn:4:219706:223941,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)c(Cl)cc23)CC1,TYPJNCGASYVTNR-UHFFFAOYSA-N
rxn:4:219710:222457,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)c(C)c4)C3C2=O)c1,QLFYQOSGBDRYLT-UHFFFAOYSA-N
rxn:4:219717:224689,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C(=O)N6CCCCC6)cc5Cl)cc4)CC3C2)n1,AZEVJCGTNPPVOG-UHFFFAOYSA-N
rxn:4:219762:227902,CCc1cc(-c2ccc(C3=C(C(C)=O)Sc4nnc(C5CCCCC5)n4N3C(C)=O)cc2)ccc1C#N,MKEFUMGFURKEMK-UHFFFAOYSA-N
rxn:4:219832:223835,COCn1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)nc1N1CCOCC1,OQYKLJSGOIWMSO-UHFFFAOYSA-N
rxn:4:219878:222702,O=S(=O)(C1CC1)N1CCN(c2ncc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cn2)CC1,YWCMTHSATAXXHT-UHFFFAOYSA-N
rxn:4:219880:222926,CSc1ncc(-c2cnc(N3CCCC(O)C3)nc2C)c(N2CCN(S(C)(=O)=O)CC2)n1,DWOYRHFCOCHGJP-UHFFFAOYSA-N
rxn:4:219880:223748,CSc1ncc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,DUXPCAZYRHKEAD-UHFFFAOYSA-N
rxn:4:219880:224761,CSc1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,SEAJZBZNHBYPDY-UHFFFAOYSA-N
rxn:4:219955:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)cc2F)CC1,FRCYDRDAJRKWIS-UHFFFAOYSA-N
rxn:4:219979:223840,COc1ccc(-c2ccccc2CN2CCN(c3nccc(C)n3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,DNTAJOWVRZDXKM-UHFFFAOYSA-N
rxn:4:220034:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1nc2n(n1)CCN(C(=O)CC(C)C)C2,RDQLMAOOJLCLQX-UHFFFAOYSA-N
rxn:4:220038:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cc21,XBDKHYJKAPDFKZ-UHFFFAOYSA-N
rxn:4:220040:224702,Cc1c(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc(F)c(OC2CCCC2)c1F,SBJMWWCYTZHDJQ-UHFFFAOYSA-N
rxn:4:220040:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1nc2n(n1)CCN(C(=O)OC(C)(C)C)C2,WSTYGZTYRNCCLD-UHFFFAOYSA-N
rxn:4:220069:224411,CN(C)S(=O)(=O)c1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,AWYPSCDTCOCREN-UHFFFAOYSA-N
rxn:4:220161:223527,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(F)cc5CN5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)C3C2=O)c1,OYLYWPMRNMWAMB-UHFFFAOYSA-N
rxn:4:220161:223592,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5Cl)c(C)c4)C3C2=O)c1,RNMRAOTWROYHRE-UHFFFAOYSA-N
rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
rxn:4:220221:223059,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCNCC5)cc4Cl)cc2)OC3)CC1,AEPXFXXTZNSTBS-UHFFFAOYSA-N
rxn:4:220356:223917,CN(C(=O)c1cc(F)cc(-c2nc([N+](=O)[O-])nn2C2CCCCC2)c1)C1CCCCC1,BAQXXMBAIAJIQW-UHFFFAOYSA-N
rxn:4:220398:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(C)CC2)c([N+](=O)[O-])c1,TXEOLBIQRUAWPX-UHFFFAOYSA-N
rxn:4:220461:223699,CC(C)C(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)nc2C1,PXNGXVWWXGIPFZ-UHFFFAOYSA-N
rxn:4:220461:223841,Cc1cc(F)c(-c2nc3n(n2)CCN(C(=O)C(C)C)C3)cc1S(=O)(=O)N1CCN(C)CC1,TWQKPGZXEAGAMM-UHFFFAOYSA-N
rxn:4:220498:223712,CCn1c(=O)c2c(nc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)n2C(C)C)n(C)c1=O,UKOQXVWSGFHOEZ-UHFFFAOYSA-N
rxn:4:220780:223541,O=S(=O)(c1cc(F)c(F)cc1-c1n[nH]c(N2CCOCC2)n1)N1CCC2(CC1)OCCO2,RMRSUFROISDOTD-UHFFFAOYSA-N
rxn:4:220944:223659,Cc1cnc2c(n1)c(-c1cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c1)nn2C1CCCCO1,VFDYMGJCTLPBSJ-UHFFFAOYSA-N
rxn:4:221094:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)cc21,VNLZEDRHBHMQOL-UHFFFAOYSA-N
rxn:4:221107:224393,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)c(=O)c1C,DXZPPWNUROAXKS-UHFFFAOYSA-N
rxn:4:221107:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5cnc(C)c(C)c5=O)C4)nc3)cc2)CC1,BPDSRPUIJHEJKO-JFJJZVRQSA-N
rxn:4:221114:225683,CCOc1ccc(-c2ccc(C3CCCOC3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,LZXBFFURHFTUBG-UHFFFAOYSA-N
rxn:4:221117:224759,O=C(c1cc(F)cc(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)c1)N1CCOCC1,FEEWNVQKLNLNTR-UHFFFAOYSA-N
rxn:4:221173:223602,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)ccc1=O,DESMEMXCFLUOMK-UHFFFAOYSA-N
rxn:4:221177:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YUUWBBIREFNCAW-UHFFFAOYSA-N
rxn:4:221186:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cc2C)CC1,DOKRFKZDQSARET-UHFFFAOYSA-N
rxn:4:221198:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cc2Cl)CC1,DJTYOWPMRLYPDD-UHFFFAOYSA-N
rxn:4:221204:225978,Fc1nc(N2CCOCC2)ccc1-c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,PADNHTBWIMPDMV-UHFFFAOYSA-N
rxn:4:221209:223240,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,ODGCHBNWISNJEF-UHFFFAOYSA-N
rxn:4:221249:223064,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(C6CCNCC6)nc5F)cnn4c3)cc2)CC1,DOZMXNSFBPAQPM-UHFFFAOYSA-N
rxn:4:221249:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)cc2Cl)CC1,CQAHXXBAGUELKN-UHFFFAOYSA-N
rxn:4:221269:225984,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,KUQMRKHNAIRHGK-UHFFFAOYSA-N
rxn:4:221275:223671,CC1CN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,FDDRCGROAAXVGN-UHFFFAOYSA-N
rxn:4:221369:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(Cl)c2)CC1,YSMWQBSDISNJTI-UHFFFAOYSA-N
rxn:4:221387:224318,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,TVRWVSBUHALWBV-UHFFFAOYSA-N
rxn:4:221401:222628,CN(C)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)c3)CC2)n1,YBQGCYFZDLTCEX-UHFFFAOYSA-N
rxn:4:221419:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)s2)CC1,DVPPKYPPBSCQIY-UHFFFAOYSA-N
rxn:4:221421:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cc2C1,JNFYTGARSJZWGC-UHFFFAOYSA-N
rxn:4:221425:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)cc2)CC1,QAZHOFQBSLDJRR-UNWRIRMBSA-N
rxn:4:221428:225636,CC1CCN(c2cc(-c3ccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)ccn2)CC1,ZQITWFZUUIJZQT-UHFFFAOYSA-N
rxn:4:221596:223999,COCn1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)nc1N1CCN(C)CC1,AQJFKWBVDUPUCA-UHFFFAOYSA-N
rxn:4:221596:224376,COCn1nc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc1N1CCN(C)CC1,XNJIXCJJNJTPLT-UHFFFAOYSA-N
rxn:4:221639:223533,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1,ARCVVZFAPALEBS-UHFFFAOYSA-N
rxn:4:221642:223083,Cc1nc(N2CCC(O)C2)ncc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,KMYBUBKEAYRKRQ-UHFFFAOYSA-N
rxn:4:221642:228388,Cc1cnc(C(F)F)cc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,WNWAYWGCIWXTHK-UHFFFAOYSA-N
rxn:4:221723:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cn2)CC1,YGUVVQFQNOKEAS-UHFFFAOYSA-N
rxn:4:221729:223660,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,ABCXWGWXARNEHG-UHFFFAOYSA-N
rxn:4:221730:223602,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,GGCCNRUGZRFUMQ-UHFFFAOYSA-N
rxn:4:221731:222432,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)CC1)CCCC2,NYOIJCZZKXYWNO-UHFFFAOYSA-N
rxn:4:221731:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)c2)CC1,IOZCJKMRFSLMHN-UHFFFAOYSA-N
rxn:4:221778:222720,CC1CN(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,YMOJDNZMNULZOM-UHFFFAOYSA-N
rxn:4:221827:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(-c4ccnc5nc(N6CCOCC6)nn45)cc3)cc2)CC1,AKSBBRFLDVCZLI-UHFFFAOYSA-N
rxn:4:221919:224327,CCOc1ccc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,VOSRRCSKPKBNFI-UHFFFAOYSA-N
rxn:4:221975:224195,CCN1CCN(Cc2cc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OC)cc7)C(=O)C65)n4)cc3)ccc2Cl)CC1,IFJBHJWDFWSRRU-UHFFFAOYSA-N
rxn:4:221980:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(-c4nn5c(=O)cc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5s4)c3)cc21,DIPUJYZYPYUVFJ-UHFFFAOYSA-N
rxn:4:222039:224760,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,UVZVIZOVOHSTLY-UHFFFAOYSA-N
rxn:4:222124:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)cc(C(F)(F)F)c2)CC1,ITGVRGBHMWKEBI-UHFFFAOYSA-N
rxn:4:222124:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)cc2Cl)CC1,BQJLGFLKSQMHAQ-UHFFFAOYSA-N
rxn:4:222124:225758,CC(C)(C)OC(=O)c1cnccc1-c1cccc(-c2noc(CN3N=NC4C(=O)N(c5ccc6c(c5)CCC6)C(=O)C43)n2)c1,WVXCDPYCTOSXFC-UHFFFAOYSA-N
rxn:4:222125:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)c(F)c2)CC1,DYOWWZQOLBMDJB-QVYRIUEQSA-N
rxn:4:222152:223527,CN(c1ncc(Cl)cn1)C1CCN(c2ncc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,UUBJQXNAZWCARK-UHFFFAOYSA-N
rxn:4:222162:224393,FC(F)(F)c1ccc(N2CCOCC2)c(-c2cnc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2)c1,DGPHTXBJQMVLAF-UHFFFAOYSA-N
rxn:4:222168:223970,Cc1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,BOGVRWQYLRCFEI-UHFFFAOYSA-N
rxn:4:222168:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,NOYBTQNQQXRTAG-UHFFFAOYSA-N
rxn:4:222289:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)CC1,LQOXJOJWDWSKTM-UHFFFAOYSA-N
rxn:4:222332:222630,c1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,YSWDIEUETFQLEG-UHFFFAOYSA-N
rxn:4:222332:224820,O=S(=O)(c1cccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c1)N1CCOCC1,RJQCVIDQCDPVOH-UHFFFAOYSA-N
rxn:4:222337:223831,COc1ccc(-c2cnc(N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,HPOWWVCSMAPBQK-UHFFFAOYSA-N
rxn:4:222393:186541,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cccc(C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)c1,FQEYIOSGNAXPNL-QAQDUYKDSA-N
rxn:4:222394:189210,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2cccc(Cl)c2C(=O)ON2C(=O)CCC2=O)cc1,DOOGACBNQLKNMD-QAQDUYKDSA-N
rxn:4:222682:174663,COc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1NC(=O)OC(C)(C)C,JNQLQKSJTOFNDZ-LGYYHHAGSA-N
rxn:4:222723:214135,CCN(CC)S(=O)(=O)c1c(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)nc2n1CCOC2,IHVORVMXLPBNAL-UHFFFAOYSA-N
rxn:4:222842:186991,O=C(NC1CCCC1)c1cccc(-c2cccc(S(=O)(=O)CC(=O)N3CCOCC3)c2)c1,HPOZUROWHPJNJW-UHFFFAOYSA-N
rxn:4:222931:194748,OC1CCCCN1c1cc(-c2ccc([C@@]34C[C@@H]3CN(C3CCOCC3)C4)cc2)cnc1Cl,YIMCHNWVSDDIRM-FNFJCYJNSA-N
rxn:4:222991:216356,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCCC(O)C5)cc4)ccc2OC32CCN(C)CC2)cc1,GRTUEVNGPQLLCJ-UHFFFAOYSA-N
rxn:4:223540:174787,COC(=O)CC(=O)c1ccccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,RPWQMHMHGDNJDA-UHFFFAOYSA-N
rxn:4:223540:176824,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)CC(C)=O,BNKBMKPUUIDWKR-UHFFFAOYSA-N
rxn:4:223540:206666,CCc1nc(N2CCCCC2)sc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,FSTGGQWROFTIQR-UHFFFAOYSA-N
rxn:4:223540:216450,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1nc(C(F)(F)F)n(C)n1,IVKNWEPOKKSEHC-UHFFFAOYSA-N
rxn:4:223540:216579,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(N)(=O)=O)n(C)n1,PQMAZHAVSNLPDN-UHFFFAOYSA-N
rxn:4:223650:215818,CC(=O)N1CCC(n2cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,ZGTWZDJTWNETHX-UHFFFAOYSA-N
rxn:5:176860:225849:225982,COC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(OC)c1-c1cnc(N2CCOCC2)cc1F,MGARIEFHMDCPBR-UHFFFAOYSA-N
rxn:5:176860:225976:225849,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1cnc(N2CCCCC2)cc1F,ROOGCLUAZYTVDS-UHFFFAOYSA-N
rxn:5:176861:225832:227611,COC(=O)c1ccc(-c2ccnn2C2CCCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1OC,ABHRWFVAVYMRHP-UHFFFAOYSA-N
rxn:5:176864:225683:226837,COC(=O)c1cc(-c2ccc(C3CCCOC3)nc2C)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,QDEUJCSODHRNNB-UHFFFAOYSA-N
rxn:5:177184:225639:225833,CCOC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,KYGSZRQFSPEZOU-UHFFFAOYSA-N
rxn:5:177447:222960:223010,COc1cc(-c2cc(C)cc(C3CCNCC3)c2)cc(-c2ccc(C3(O)CCOCC3)cc2)c1OC(C)C,PRPJUWNGTCNYHF-UHFFFAOYSA-N
rxn:5:177449:223010:222960,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cc(C)cc(C3CCNCC3)c2)cc1OC(C)C,IZGYABUNVCJRPJ-UHFFFAOYSA-N
rxn:5:177449:225446:226040,COc1cc(-c2cc(C)cc(OC3CCCC3)c2)c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC(C)C,XNKUXPIUWIEKSL-UHFFFAOYSA-N
rxn:5:177449:226040:225446,COc1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(-c2cc(C)cc(OC3CCCC3)c2)cc1OC(C)C,HIVBLEVIRKBUPZ-UHFFFAOYSA-N
rxn:5:177450:226040:226027,Cc1c(-c2ccc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c(OCC3CCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],MKSQDTPGRPWXHL-UHFFFAOYSA-N
rxn:5:177732:223062:226679,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cnc(N3CCCC3)cc2F)c1,NIXVRYPQJCKSGP-UHFFFAOYSA-N
rxn:5:177734:226746:225945,CCc1cnc(C(F)(F)F)cc1-c1cc(C)c(C(=O)OC(C)C)cc1-c1ccc(C#CC(F)(F)F)c(F)c1,NHASPSPSTVLIHG-UHFFFAOYSA-N
rxn:5:177737:225982:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cnc(N2CCOCC2)cc1F,QZQVHQSGLINGLD-UHFFFAOYSA-N
rxn:5:177738:226605:225446,COc1cc(-c2cc(C)cc(OC3CCCC3)c2)c(-c2cc(F)c(OC(C)C)cc2F)cc1OC1CCC1,YAPXQLFLAMMHFR-UHFFFAOYSA-N
rxn:5:177738:226605:225447,COc1cc(-c2ccc(OC3CCCCC3)cc2)c(-c2cc(F)c(OC(C)C)cc2F)cc1OC1CCC1,DXIYBBZPULDZRR-UHFFFAOYSA-N
rxn:5:177739:223061:225978,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(N2CCOCC2)nc1F,FOZKZVXKRPKHTO-UHFFFAOYSA-N
rxn:5:177739:226794:223065,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1ccc(N2CCNCC2)cc1F,AJZBLIGJHOQOHE-UHFFFAOYSA-N
rxn:5:177850:222991:223146,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1cccc(C2CNCCO2)c1,OYXGVNANNHATBA-UHFFFAOYSA-N
rxn:5:177850:222995:223147,CCOc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,JNMVFHKBYQERDO-UHFFFAOYSA-N
rxn:5:177850:223010:227346,CCCc1cc(F)c(-c2c(OCC)ccc(-c3ccc(C4(O)CCOCC4)cc3)c2C2OCCO2)c(F)c1,VHSSJZOHPDEGNT-UHFFFAOYSA-N
rxn:5:177850:223144:223147,CCOc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc(C2CNCCO2)cc1,XHMAARWOOBSBMK-UHFFFAOYSA-N
rxn:5:177850:223144:226187,CCOc1ccc(-c2ccc(N3CCC(O)C3)cc2)c(C2OCCO2)c1-c1cccc(C2CCOCC2)c1,ROEHIKHJKQTIIT-UHFFFAOYSA-N
rxn:5:177850:223147:223143,CCOc1ccc(-c2ccc(C3CNCCO3)cc2)c(C2OCCO2)c1-c1cccc(N2CCC(O)C2)c1,KADRTSJLLQKSEV-UHFFFAOYSA-N
rxn:5:177850:223147:223144,CCOc1ccc(-c2ccc(C3CNCCO3)cc2)c(C2OCCO2)c1-c1ccc(N2CCC(O)C2)cc1,DJVNBKAVZJZFIH-UHFFFAOYSA-N
rxn:5:177850:225447:227336,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(F)cc1OC(C)C,COZMVCHNUWWCKN-UHFFFAOYSA-N
rxn:5:177850:225447:227337,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1cc(F)ccc1OC(C)C,OJIMTUQMWHSTBJ-UHFFFAOYSA-N
rxn:5:177850:225449:227558,CCOc1ccc(-c2cccc(OC3CCCCC3)c2)c(C2OCCO2)c1-c1ccc(OC(F)F)cc1C,MFAHAULCANZDFB-UHFFFAOYSA-N
rxn:5:177850:225617:223203,CCOc1ccc(-c2ccc(OC3CCCCO3)cc2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,GOQHVXGRLHIHRU-UHFFFAOYSA-N
rxn:5:177850:227559:226026,CCOc1ccc(-c2ccc(C)c(OC(F)F)c2)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N(C)C)c(F)c1,UDWPECHUVLYDMS-UHFFFAOYSA-N
rxn:5:177850:227749:225872,CCOc1ccc(-c2cc(F)cc(C(F)(F)F)c2)c(C2OCCO2)c1-c1cc(F)c(F)c(N2CCCC2)c1,FUZZIVVQIDBAQS-UHFFFAOYSA-N
rxn:5:177891:226654:223438,CC1CCN(c2nc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cn[nH]c3C(F)(F)F)cs2)CC1,ZRFVECQXVRXWIQ-UHFFFAOYSA-N
rxn:5:177891:226901:226749,COc1cccc(C(F)(F)F)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,LKLCTGQWQXJAKG-UHFFFAOYSA-N
rxn:5:177891:226901:227840,Cc1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1C1CC1,WFGHLMBDHZCSEE-UHFFFAOYSA-N
rxn:5:177970:226740:225462,CC1CCN(c2cccc(-c3cc(OCC4CCCC4)cc(-c4cccc(C(F)(F)F)c4C#N)c3)c2)CC1,NCUXAQHHNBXHJP-UHFFFAOYSA-N
rxn:5:178117:225929:226041,Cc1cc(-c2ccc(-c3c([N+](=O)[O-])cccc3C(F)(F)F)c(OCC3CCOCC3)c2)ccc1S(=O)(=O)N(C)C,PEWJYXCZQSPPOH-UHFFFAOYSA-N
rxn:5:178118:223010:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(OCC3CCCCO3)c2)c(F)c1,OXQHZFKIDRELRX-UHFFFAOYSA-N
rxn:5:178118:223062:226329,N#CC1(c2ccc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(OCC4CCCCO4)c3)cc2F)CC1,RENKTDQIFATDQN-UHFFFAOYSA-N
rxn:5:178118:223202:225498,OC1(c2ccc(-c3ccc(-c4cc(C5CCCCC5)ccc4F)cc3OCC3CCCCO3)cc2)CCC1,GMGSBLLRLALKGZ-UHFFFAOYSA-N
rxn:5:178118:223202:225499,OC1(c2ccc(-c3ccc(-c4ccc(C5CCCCC5)cc4F)cc3OCC3CCCCO3)cc2)CCC1,ADYRCVLPENSXQR-UHFFFAOYSA-N
rxn:5:178118:223202:225809,OC1(c2ccc(-c3ccc(-c4cc(F)ccc4OC4CCOC4)cc3OCC3CCCCO3)cc2)CCC1,PICZRZBAPNPKSD-UHFFFAOYSA-N
rxn:5:178118:223203:225498,OC1(c2cccc(-c3ccc(-c4cc(C5CCCCC5)ccc4F)cc3OCC3CCCCO3)c2)CCC1,YJHYISKPIZXAQG-UHFFFAOYSA-N
rxn:5:178118:223203:225499,OC1(c2cccc(-c3ccc(-c4ccc(C5CCCCC5)cc4F)cc3OCC3CCCCO3)c2)CCC1,BSCYANUQMLLGDX-UHFFFAOYSA-N
rxn:5:178118:223203:225809,OC1(c2cccc(-c3ccc(-c4cc(F)ccc4OC4CCOC4)cc3OCC3CCCCO3)c2)CCC1,UTNIFNZBMREJNC-UHFFFAOYSA-N
rxn:5:178118:225452:226464,COc1ccc2c(c1-c1ccc(-c3ccc(OC4C=CCCC4)cc3)c(OCC3CCCCO3)c1)OCCO2,OIBKXVVTNZNNRJ-UHFFFAOYSA-N
rxn:5:178118:227346:223010,CCCc1cc(F)c(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)cc2OCC2CCCCO2)c(F)c1,SEERCKASQMGHIQ-UHFFFAOYSA-N
rxn:5:178120:225394:227587,COc1cc(-c2c(OCC3CCOCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(F)c1OC,UWNSKWFTCUWKRP-UHFFFAOYSA-N
rxn:5:178120:226181:226427,CC1CCN(c2csc(-c3c(OCC4CCOCC4)cccc3-c3ccc(C4=CCCCC4)nc3)c2)CC1,PLAAOFCVXZKUAD-UHFFFAOYSA-N
rxn:5:178121:225452:225621,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(OC3C=CCCC3)cc2)ccc1OC1CCOC1,VZANHJDNJNZJMA-UHFFFAOYSA-N
rxn:5:178121:226152:226863,COc1cc(C2CC2)cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OC(F)(F)F)cc2F)c1C,QEHFQPMKGKYJJP-UHFFFAOYSA-N
rxn:5:178122:223010:223010,OC1(c2ccc(-c3ccc(COC4CCCCO4)c(-c4ccc(C5(O)CCOCC5)cc4)c3)cc2)CCOCC1,AOFGMCUYLZYVLF-UHFFFAOYSA-N
rxn:5:178122:225394:227575,COc1ccc(OC)c(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)c1F,CYAKZYOXVYDTFH-UHFFFAOYSA-N
rxn:5:178122:225394:227587,COc1cc(-c2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2COC2CCCCO2)cc(F)c1OC,MREMXGZRSLLXQE-UHFFFAOYSA-N
rxn:5:178122:225453:226778,COc1cc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2COC2CCCCO2)c(F)c(F)c1OC,FMEUXDCSRLVIHP-UHFFFAOYSA-N
rxn:5:178122:225499:227364,COc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c(OC)c1C,DGAZBVHSIZENMM-UHFFFAOYSA-N
rxn:5:178122:225625:227371,COc1c(C)ccc(-c2cc(-c3cc(OC4CCCC4)ccc3F)ccc2COC2CCCCO2)c1OC,GGHMKJLJTOOPFV-UHFFFAOYSA-N
rxn:5:178122:227361:225809,COc1cc(-c2ccc(COC3CCCCO3)c(-c3cc(F)ccc3OC3CCOC3)c2)c(OC)cc1C,WQPDFGISKVAIAU-UHFFFAOYSA-N
rxn:5:178224:223000:226159,Fc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(N4CCCCC4)c3)c2)ccc1C1CCCNC1,WRLLCLVOGOARRF-UHFFFAOYSA-N
rxn:5:178224:223010:227346,CCCc1cc(F)c(-c2cc(OCC3CCCCC3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2)c(F)c1,QOFZPZSZIGGTOI-UHFFFAOYSA-N
rxn:5:178224:223202:225809,OC1(c2ccc(-c3cc(OCC4CCCCC4)cc(-c4cc(F)ccc4OC4CCOC4)c3)cc2)CCC1,KRNMLTVJEDKZGF-UHFFFAOYSA-N
rxn:5:178224:223203:225809,OC1(c2cccc(-c3cc(OCC4CCCCC4)cc(-c4cc(F)ccc4OC4CCOC4)c3)c2)CCC1,UFRJNPZPPFXOAR-UHFFFAOYSA-N
rxn:5:178225:223202:225809,OC1(c2ccc(-c3cccc(OCC4CCCCC4)c3-c3cc(F)ccc3OC3CCOC3)cc2)CCC1,LCZWCIUIWZKNKW-UHFFFAOYSA-N
rxn:5:178225:223203:225809,OC1(c2cccc(-c3cccc(OCC4CCCCC4)c3-c3cc(F)ccc3OC3CCOC3)c2)CCC1,MUUYKKKQRSZFRQ-UHFFFAOYSA-N
rxn:5:178226:223010:226598,CC(C)Oc1cc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3(O)CCOCC3)cc2)c(F)cc1F,CFQCUAVBAWXBKA-UHFFFAOYSA-N
rxn:5:178226:223202:225809,OC1(c2ccc(-c3c(OCC4CCCCC4)cccc3-c3cc(F)ccc3OC3CCOC3)cc2)CCC1,UEPPKUPPWYDJFL-UHFFFAOYSA-N
rxn:5:178226:225446:227561,COc1cc(F)c(-c2cccc(OCC3CCCCC3)c2-c2cc(C)cc(OC3CCCC3)c2)cc1OC,ZDAOTWGRPCXNLR-UHFFFAOYSA-N
rxn:5:178226:226343:226710,C[Si](C)(C)c1c(F)ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(OC3CCOC3)cc2)c1F,HXXQNEIRKGQRCQ-UHFFFAOYSA-N
rxn:5:178226:226374:226382,c1cc(OCC2CCCCC2)c(-c2cncnc2C2CCCCC2)c(-c2cnc(C3CCCCC3)nc2)c1,ZUVIEPHSQYNPPR-UHFFFAOYSA-N
rxn:5:178295:228198:223389,COC(=O)C1(c2cc(-c3c(C)n[nH]c3C(F)(F)F)ccc2-c2cnc(C(C)C)nc2C)CCC(=O)CC1,DPLREACBUWPALI-UHFFFAOYSA-N
rxn:5:178313:227069:225593,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(F)cc(CN3CCCC3)c2)c(C(C)C)c1,JAOIMUCLXGOCGP-UHFFFAOYSA-N
rxn:5:178314:225499:227073,COc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,HEHZUCIURWABQI-UHFFFAOYSA-N
rxn:5:178314:225625:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(OC3CCCC3)ccc2F)ccc1-c1cccc2c1CCC21CC1,BAZJNMPDRVBNKS-UHFFFAOYSA-N
rxn:5:178314:227058:225407,COc1ccc(C2CC2)cc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,XNLPUDFEHONORI-UHFFFAOYSA-N
rxn:5:178315:222958:223203,Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(C4(O)CCC4)c3)c2)cc1C1CCNCC1,CGTHDOHXVGFVID-UHFFFAOYSA-N
rxn:5:178315:225633:227043,Cc1cc(OC(C)C)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(N3CCCCCC3)nc2)c1,VOGVVZFLPVEOCB-UHFFFAOYSA-N
rxn:5:178466:223062:225982,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,QBZOHZKIXUMCOJ-UHFFFAOYSA-N
rxn:5:178466:225633:223064,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccc(C2CCNCC2)nc1F,BOOWXLVBLKXLHN-UHFFFAOYSA-N
rxn:5:178466:225820:225868,CC(C)OC(=O)c1sc2cc(-c3c(C4CC4)cccc3C(F)(F)F)ccc2c1-c1ccc(N2CCOCC2)c(F)c1,YKTSYARSCJMKFS-UHFFFAOYSA-N
rxn:5:178466:225834:225834,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,GKVBLLXZOQWNMC-UHFFFAOYSA-N
rxn:5:178466:225976:225633,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,LRSJVEADPWTAHD-UHFFFAOYSA-N
rxn:5:178466:225980:225980,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,UAPSECUJCAVNQT-UHFFFAOYSA-N
rxn:5:178467:223061:223006,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(C4CCNCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,NDBWBQSVQJQBLE-UHFFFAOYSA-N
rxn:5:178467:223138:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,LLEMNJZLAUYBKQ-UHFFFAOYSA-N
rxn:5:178467:223141:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,YWSNRPTVXHPTRN-UHFFFAOYSA-N
rxn:5:178467:225834:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,PSGLMVSSIXCVTM-UHFFFAOYSA-N
rxn:5:178467:225980:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,SUXCQBLKZZQPCQ-UHFFFAOYSA-N
rxn:5:178467:227295:225811,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc(-c3ccnc(OC4CCC4)c3)c2OC1,XWKQBSLTBMJKPF-UHFFFAOYSA-N
rxn:5:178467:227387:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,IHCHWYABTSUWRR-UHFFFAOYSA-N
rxn:5:179629:225499:225407,COc1ccc(-c2ccc(C3CCCCC3)cc2F)c(S(C)(=O)=O)c1-c1ccc(C2CCCCCC2)cc1,BEKHAKKNHFZRIW-UHFFFAOYSA-N
rxn:5:180022:222991:223143,COc1c(-c2cccc(N3CCC(O)C3)c2)ccc(-c2ccc(N3CCCC(O)C3)cc2)c1C1OCCO1,NIFFRGFEUBIDBS-UHFFFAOYSA-N
rxn:5:180022:222991:223144,COc1c(-c2ccc(N3CCC(O)C3)cc2)ccc(-c2ccc(N3CCCC(O)C3)cc2)c1C1OCCO1,GPXMLAJFWHEDHF-UHFFFAOYSA-N
rxn:5:180022:223144:222991,COc1c(-c2ccc(N3CCCC(O)C3)cc2)ccc(-c2ccc(N3CCC(O)C3)cc2)c1C1OCCO1,ORLBJSCFEZTCGG-UHFFFAOYSA-N
rxn:5:180022:225394:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,XWIBFMVADCWAIC-UHFFFAOYSA-N
rxn:5:180022:225447:226594,COc1c(-c2c(F)cc(OC(C)C)cc2F)ccc(-c2ccc(OC3CCCCC3)cc2)c1C1OCCO1,WAVVNSAKAGRFJM-UHFFFAOYSA-N
rxn:5:180022:225498:225449,COc1c(-c2cccc(OC3CCCCC3)c2)ccc(-c2cc(C3CCCCC3)ccc2F)c1C1OCCO1,BNQYOVZSWZRFFK-UHFFFAOYSA-N
rxn:5:180022:225499:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,IVXQDKLNVBBIEJ-UHFFFAOYSA-N
rxn:5:180022:225499:226464,COc1ccc2c(c1-c1ccc(-c3ccc(C4CCCCC4)cc3F)c(C3OCCO3)c1OC)OCCO2,JZNXVRIYAGEFOF-UHFFFAOYSA-N
rxn:5:180022:225677:226438,COc1c(-c2cnc(C3CCCC3)cc2F)ccc(-c2ccc(C3CCCCC3)nc2F)c1C1OCCO1,PYSRONJZYATUEQ-UHFFFAOYSA-N
rxn:5:180022:226060:225810,COc1ccc(-c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)c(C3OCCO3)c2OC)c(C2OCCO2)c1,MRMJRMOITYOEEF-UHFFFAOYSA-N
rxn:5:180096:226040:226027,Cc1c(-c2ccc(OC3CCCC3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],XFRKVHZLASDFLE-UHFFFAOYSA-N
rxn:5:180097:226027:226040,Cc1c(-c2cc(OC3CCCC3)cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],JHCIJNJUQHLDNJ-UHFFFAOYSA-N
rxn:5:180297:226596:227119,COc1cc(-c2ccc(F)c(OC(C)C)c2F)c(C2(C)OCCO2)cc1-c1cc(C2CCCCC2)cs1,UYBMSSDJGYHVLK-UHFFFAOYSA-N
rxn:5:180297:226752:225620,COc1cc(-c2cccc(C(F)(F)F)c2OC)c(C2(C)OCCO2)cc1-c1ccc(OC2CCOCC2)cc1,IKIOZABCGCXHSU-UHFFFAOYSA-N
rxn:5:180421:225809:226464,COc1ccc2c(c1-c1ccc(CC3CCCCC3)cc1-c1cc(F)ccc1OC1CCOC1)OCCO2,VSTJMYAUEMIGRZ-UHFFFAOYSA-N
rxn:5:180422:225499:226152,COc1cc(C2CC2)cc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2F)c1C,ZAHCSXOHJQCVBY-UHFFFAOYSA-N
rxn:5:180602:225982:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2O1,GZURGCJECJYDFG-UHFFFAOYSA-N
rxn:5:180662:225849:227387,COC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,LHUHPNUHRMPYDB-UHFFFAOYSA-N
rxn:5:180662:226062:226033,COC(=O)C1=Cc2cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)cc(-c3cc(C(C)C)cc(C(C)C)c3)c2OC1,JQWVFJZTCAROCT-UHFFFAOYSA-N
rxn:5:180662:226395:226395,COC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,XRWYSCMOKZEWJJ-UHFFFAOYSA-N
rxn:5:180662:226664:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,MSLNMWNLONKASY-UHFFFAOYSA-N
rxn:5:181905:223010:226048,Cc1ccc(-c2c(F)ccc(F)c2OC(F)(F)F)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,WAJIPXAIOUNNIE-UHFFFAOYSA-N
rxn:5:181906:223010:226048,Cc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1c(F)ccc(F)c1OC(F)(F)F,FGKXWIGEERBTMS-UHFFFAOYSA-N
rxn:5:182009:225603:225625,N#CC1(c2cccc(-c3ccc(-c4cc(OC5CCCC5)ccc4F)cc3C3CCOCC3)c2F)CCC1,SPKSAGHCUWHSHR-UHFFFAOYSA-N
rxn:5:183063:225684:225832,Cc1nc(C2CCOCC2)ccc1-c1c(-c2c(C)nn(C3CCCCO3)c2C)ccc2c1CCCC2=O,AKIYKLKTHMNTDF-UHFFFAOYSA-N
rxn:5:183063:225832:226835,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cc(C(F)(F)F)nn2C(C)C)ccc2c1CCCC2=O,QEMGKCFVDAXYCE-UHFFFAOYSA-N
rxn:5:188079:225871:225943,CCOC(=O)c1nc(-c2ccc(C(=O)N3CCOCC3)s2)sc1-c1cccc(N2C(=O)C=CC2=O)c1,YENGJHWTERFFEL-UHFFFAOYSA-N
rxn:5:188388:225832:226837,CCOC(=O)c1cnc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,DCMSWOQGCFQOQM-UHFFFAOYSA-N
rxn:5:188448:226415:225616,COC(=O)c1cc(-c2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1-c1ccccc1N1CCOCC1,JCSIMSJIFZMSRU-UHFFFAOYSA-N
rxn:5:188462:225583:226469,COC(=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc3c(c2)N(C)C(=O)CO3)cc1[N+](=O)[O-],KSWKLJIFVQEMQN-UHFFFAOYSA-N
rxn:5:188595:225449:225925,CCOc1c(-c2cc(S(=O)(=O)N(C)C)ccc2C)cc(-c2cccc(OC3CCCCC3)c2)cc1[N+](=O)[O-],KFPACWNSJZJJNM-UHFFFAOYSA-N
rxn:5:188787:223191:225634,CNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])c(OC3CC3)cc2-c2cnc(N3CCCCC3)c(C)c2)cc1F,FLHLCNJOWABIGW-UHFFFAOYSA-N
rxn:5:189207:222994:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCC(O)CC3)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,BZJJDDWJHGPCPX-UHFFFAOYSA-N
rxn:5:189207:225583:226333,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1cccc(C(=O)N2CCC2)c1,GKKJEXPNEJKUCG-UHFFFAOYSA-N
rxn:5:189207:225616:229079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1csc(C2CC2)n1,JGMDFNLSKAPXSZ-UHFFFAOYSA-N
rxn:5:189207:225702:227656,COC(=O)n1c(-c2ccc(-c3cc(N4CCOCC4)cs3)c(C(=O)ON3C(=O)CCC3=O)c2)cc2ccccc21,AJRPDBHHVRSEAV-UHFFFAOYSA-N
rxn:5:189207:225832:229248,Cc1cnn(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1C(=O)ON1C(=O)CCC1=O,XPCDHZHQIVKUIO-UHFFFAOYSA-N
rxn:5:189207:225832:229256,Cc1noc(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1C(=O)ON1C(=O)CCC1=O,XMPFKDBNXXOYJL-UHFFFAOYSA-N
rxn:5:189207:225873:227452,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1cccc(C2OCCO2)c1,OXNZHURHIBGTTR-UHFFFAOYSA-N
rxn:5:189207:226053:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(F)c(OC(F)(F)F)c2F)ccc1-c1cccc2c1COC2=O,XRQZHSVVORNGHA-UHFFFAOYSA-N
rxn:5:189207:226150:227203,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1ccc2c(c1)OCCCO2,ALZJQPOTKSEQER-UHFFFAOYSA-N
rxn:5:189207:226185:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1ccc(C(=O)N2CCC2)cc1,FEXCJHQMIULXFN-UHFFFAOYSA-N
rxn:5:189207:226186:227543,COC(=O)c1cc(-c2ccc(-c3ccccc3C3CCOCC3)cc2C(=O)ON2C(=O)CCC2=O)ccc1F,DGEVBOHFRMFLRY-UHFFFAOYSA-N
rxn:5:189207:226186:228869,COC(=O)c1cc(-c2ccc(-c3ccccc3C3CCOCC3)cc2C(=O)ON2C(=O)CCC2=O)cs1,ZWWCRJJFGKYERS-UHFFFAOYSA-N
rxn:5:189207:226411:228487,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1cccc(F)c1[N+](=O)[O-],RTNFYYSHKNTSMZ-UHFFFAOYSA-N
rxn:5:189207:226452:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3OCCCO3)cc2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,YYFKFBXHCATMGU-UHFFFAOYSA-N
rxn:5:189207:226756:227203,COc1cc(-c2ccc(-c3ccc4c(c3)OCCCO4)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1C(F)(F)F,FBJOHIYYDGEXJA-UHFFFAOYSA-N
rxn:5:189207:226966:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1C(=O)ON1C(=O)CCC1=O,DRWIRYXFIQYOQV-UHFFFAOYSA-N
rxn:5:189207:226980:227506,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,NTKIIDAVQVOWOM-CCEZHUSRSA-N
rxn:5:189207:227203:227542,COC(=O)c1cc(F)ccc1-c1ccc(-c2ccc3c(c2)OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,GAKAPWOFZYWFHD-UHFFFAOYSA-N
rxn:5:189207:227403:228460,COc1ncnc(OC)c1-c1ccc(-c2ccc(N3CCCCC3)s2)cc1C(=O)ON1C(=O)CCC1=O,JBMMBJWRTDCWGZ-UHFFFAOYSA-N
rxn:5:189207:227501:226899,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],BDYXAVXPEGGZSO-UHFFFAOYSA-N
rxn:5:189207:227875:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cccc3c2CCCO3)cc1C(=O)ON1C(=O)CCC1=O,FSEKYFHHJAQWGA-UHFFFAOYSA-N
rxn:5:189207:228484:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])c(F)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,QTPFKICKYBWALL-UHFFFAOYSA-N
rxn:5:189207:228500:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cnc(C(F)(F)F)nc2)cc1C(=O)ON1C(=O)CCC1=O,PDRKMHCEWHJAOV-UHFFFAOYSA-N
rxn:5:189207:228871:226411,COC(=O)c1ccsc1-c1ccc(-c2ccc(N3CCOCC3)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,CZONNQZPOJBAGH-UHFFFAOYSA-N
rxn:5:189207:229197:225986,O=C(ON1C(=O)CCC1=O)c1cc(-c2cnn(C(F)F)c2)ccc1-c1ccccc1N1CCCS1(=O)=O,GNUSDXOTBRVKGS-UHFFFAOYSA-N
rxn:5:189208:225451:229091,CC(=O)c1occc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,VBSAYVWIMKVQPQ-UHFFFAOYSA-N
rxn:5:189208:225870:229168,COc1nc(C)sc1-c1cc(-c2cc(F)cc(N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,SUGKFTKTEBWFBB-UHFFFAOYSA-N
rxn:5:189208:225871:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,NQBXDISROUDUEQ-UHFFFAOYSA-N
rxn:5:189208:225986:228513,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCS2(=O)=O)cc1-c1ccccc1C1CC1,KNIJKJCCICURJW-UHFFFAOYSA-N
rxn:5:189208:226084:228245,CC(=O)c1ccc(-c2cc(-c3ccc4c(c3)C(=O)CCCC4)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,PFTCIELIKRNWPN-UHFFFAOYSA-N
rxn:5:189208:226452:228964,COC(=O)c1ncc(-c2cc(-c3ccc(C4OCCCO4)cc3)ccc2C(=O)ON2C(=O)CCC2=O)s1,DLIQZTRTKMCOGT-UHFFFAOYSA-N
rxn:5:189208:226869:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)cc(OC(F)(F)F)c2)cc1-c1cccc2c1COC2=O,SJESZDZVDTUXQO-UHFFFAOYSA-N
rxn:5:189208:226980:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2C(=O)CCC3)cc1-c1cccc(C2CCOCC2)c1,BDUVWOHSDDOAJU-UHFFFAOYSA-N
rxn:5:189208:227203:226155,CC(=O)c1cc(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,OYISBFHPMHKSMN-UHFFFAOYSA-N
rxn:5:189208:227203:227703,COC(=O)c1cc(-c2cc(-c3ccc4c(c3)OCCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cnc1F,UWNRKIXTEWDRNF-UHFFFAOYSA-N
rxn:5:189208:227203:227746,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1-c1cccc(C(F)(F)F)c1F,GFVPJAYHRCJEGM-UHFFFAOYSA-N
rxn:5:189208:227446:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCO3)cc2)cc1-c1ccc(N2CCOCC2)cc1,AWUJAUSKSSKXQX-UHFFFAOYSA-N
rxn:5:189208:227505:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc1-c1ccc(C2CCOCC2)s1,RFDUOIPLXJGNCT-SDNWHVSQSA-N
rxn:5:189208:227528:227203,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)OCCCO4)c2)cc1F,FATCOTLVFCCBKD-UHFFFAOYSA-N
rxn:5:189208:227679:226887,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1-c1ccc(F)c(C(F)(F)F)c1F,IMUXUFFMXNLTIA-UHFFFAOYSA-N
rxn:5:189208:227918:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CC3)cc2)cc1-c1ccccc1C(=O)N1CCC1,FSHRLIOAVAWYKH-UHFFFAOYSA-N
rxn:5:189208:228467:226980,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc4c3C(=O)CCC4)c2)c(F)s1,NSVZNGGMYTYRDS-UHFFFAOYSA-N
rxn:5:189209:225583:229016,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(-c2ccsc2C2CC2)c1,XHKQJRYAOZCVHD-UHFFFAOYSA-N
rxn:5:189209:225616:227505,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(-c2ccccc2C(=O)N2CCCC2)c1,ZVFWALLQJGWPOV-DTQAZKPQSA-N
rxn:5:189209:225616:228229,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccn(C3CC3)c(=O)c2)cc(-c2ccccc2C(=O)N2CCCC2)c1,SZZLSIKRJKQGIK-UHFFFAOYSA-N
rxn:5:189209:225620:228894,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2ccccc2[N+](=O)[O-])c1,NZXQHDVBCFOJMD-UHFFFAOYSA-N
rxn:5:189209:226069:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCCCC3)c2)cc(-c2cccc(N3CCOCC3=O)c2)c1,DCISYBLTUQBXDE-UHFFFAOYSA-N
rxn:5:189209:226186:228868,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccccc3C3CCOCC3)c2)s1,OXCACTMQPQVPDL-UHFFFAOYSA-N
rxn:5:189209:226333:227918,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(SC3CC3)cc2)cc(-c2cccc(C(=O)N3CCC3)c2)c1,KKFFBFXVOUVWOF-UHFFFAOYSA-N
rxn:5:189209:228078:225620,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2ccc3c(c2)COC3=O)c1,LPRLEQRKJUOZKQ-UHFFFAOYSA-N
rxn:5:189209:228079:227657,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)s2)cc(-c2cccc3c2COC3=O)c1,GBTAPJXIEGTMMZ-UHFFFAOYSA-N
rxn:5:189209:228174:226333,CC(=O)Oc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(C(=O)N4CCC4)c3)c2)cc1,CEPKWBJBJIQRIJ-UHFFFAOYSA-N
rxn:5:189209:228513:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2ccccc2C2CC2)c1,MIZYPJLVNAEXLN-UHFFFAOYSA-N
rxn:5:189210:225873:227936,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(SC3CC3)c2)cccc1-c1cccc(N2CCOCC2=O)c1,BWKIKQONYKLCQI-UHFFFAOYSA-N
rxn:5:189210:226186:228490,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(S(=O)(=O)F)c2)cccc1-c1ccccc1C1CCOCC1,NKKLWGYKVUJJFA-UHFFFAOYSA-N
rxn:5:189210:226187:228631,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(C3CCOCC3)c2)cccc1-c1ccsc1C1CCC1,XOVVSVNOTJPPIV-UHFFFAOYSA-N
rxn:5:189210:226826:227205,Cc1cc(-c2cccc(-c3cccc4c3OCCCO4)c2C(=O)ON2C(=O)CCC2=O)c(F)c(C(F)(F)F)c1,DQDIQFHBNRVKMJ-UHFFFAOYSA-N
rxn:5:189210:226880:227206,Cc1c(-c2cccc(-c3cc(F)c(F)c(C(F)(F)F)c3)c2C(=O)ON2C(=O)CCC2=O)ccc2c1COC2=O,YHPNCEPPBFAJBN-UHFFFAOYSA-N
rxn:5:189210:227279:227766,CCn1nc(C(F)(F)F)cc1-c1cccc(-c2cc(C3CC3)nn2C(C)C)c1C(=O)ON1C(=O)CCC1=O,LOUGPLKGMLTODG-UHFFFAOYSA-N
rxn:5:189210:228016:227505,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(/C=C/[N+](=O)[O-])cc2)cccc1-c1cc(C2CCCC2)cs1,JINQWGLVIRIHLZ-CCEZHUSRSA-N
rxn:5:189210:228151:227656,COC(=O)c1cccc(-c2cccc(-c3cc(N4CCOCC4)cs3)c2C(=O)ON2C(=O)CCC2=O)c1,KJMDQBHQMRDBKU-UHFFFAOYSA-N
rxn:5:189210:228154:227390,COc1cccc(OC)c1-c1cccc(-c2ccnn2C2CCCCC2)c1C(=O)ON1C(=O)CCC1=O,XVOWKCNPYBEDMS-UHFFFAOYSA-N
rxn:5:189211:223389:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1c(C)n[nH]c1C(F)(F)F,LCQUDXJGRJXBOK-UHFFFAOYSA-N
rxn:5:189211:225453:228895,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(SC3CCCCC3)c2)c1-c1ccc([N+](=O)[O-])cc1,BXEUZBVZGDGVMA-UHFFFAOYSA-N
rxn:5:189211:225584:229088,CC(=O)c1csc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C(=O)N3CCCC3)cc2)c1,HWSYENOSAYSYST-UHFFFAOYSA-N
rxn:5:189211:225873:227207,O=C1CCOc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cccc(N2CCOCC2=O)c1,TZXQTVZUGIDLTO-UHFFFAOYSA-N
rxn:5:189211:226084:227183,CN1Cc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)C(=O)CCCC4)ccc2C1=O,IJEPLOKXTUXFIL-UHFFFAOYSA-N
rxn:5:189211:226185:225985,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCOCC3)cc2)c1-c1cccc(N2CCCS2(=O)=O)c1,KXWRUUNSMDXIGD-UHFFFAOYSA-N
rxn:5:189211:226980:227103,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc3c2C(=O)CCC3)c1-c1sccc1C1CCCCC1,WLJQWAVNESMYKV-UHFFFAOYSA-N
rxn:5:189211:227209:226738,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OC(C)(C)O3)c([N+](=O)[O-])c1,GPIFBKYZFHAMAI-UHFFFAOYSA-N
rxn:5:189211:227546:227103,COC(=O)c1cccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2sccc2C2CCCCC2)c1F,XPVIVVHMONGEKZ-UHFFFAOYSA-N
rxn:5:189211:227679:226886,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1-c1cc(F)c(C(F)(F)F)c(F)c1,XXNWWQAYDFPTLW-UHFFFAOYSA-N
rxn:5:189211:228077:226333,O=C1OCc2ccc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cccc(C(=O)N4CCC4)c3)cc21,QXXKNLWOPKJPEA-UHFFFAOYSA-N
rxn:5:189211:228346:227446,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3OCCO3)cc2)c(C)s1,KVTVVQPKQMVXKP-UHFFFAOYSA-N
rxn:5:189212:223357:226411,CC(=O)Nc1ccccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCOCC2)cc1,LFYOTFNUYGRBNA-UHFFFAOYSA-N
rxn:5:189212:225407:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2ccc(C3CCCCCC3)cc2)c1,HBSIFUBILQDLFS-UHFFFAOYSA-N
rxn:5:189212:225873:229086,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3CCOCC3=O)c2)s1,GKWOWXOGUMMVLG-UHFFFAOYSA-N
rxn:5:189212:226185:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2ccc(C3CCOCC3)cc2)c1,FHVIPPVQMANQGM-UHFFFAOYSA-N
rxn:5:189212:226415:228317,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccccc2N2CCOCC2)cn1,JECRGTRZRMAJKE-UHFFFAOYSA-N
rxn:5:189212:226464:228077,COc1ccc2c(c1-c1cc(C(=O)ON3C(=O)CCC3=O)ccc1-c1ccc3c(c1)C(=O)OC3)OCCO2,WQPJVMGCBFSPQX-UHFFFAOYSA-N
rxn:5:189212:226685:228760,CC(C)(C)c1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnc(C3CCOCC3)nc2)o1,WBBVIKDCHCCAJJ-UHFFFAOYSA-N
rxn:5:189212:226739:227829,CC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccccc2C2CCC2)cc1[N+](=O)[O-],IOZNAABPIXLJDT-UHFFFAOYSA-N
rxn:5:189212:226765:228078,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)COC3=O)c(F)c1F,XPKFUROVSFPKIJ-UHFFFAOYSA-N
rxn:5:189212:226899:227183,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2C1=O,XNIVYPVKKYXXBG-UHFFFAOYSA-N
rxn:5:189212:227094:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2cnccc2C2CCCC2)c1,NIEGKNYROORUSC-JQIJEIRASA-N
rxn:5:189212:227872:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)c(-c2ccc3c(c2)CCC3=O)c1,IJTDWWCMZPZQQO-UHFFFAOYSA-N
rxn:5:189212:228064:226084,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCCC3)c(-c2cnc3c(c2)C(=O)CC3)c1,KPLLXIGUCGTBKN-UHFFFAOYSA-N
rxn:5:189212:228071:226886,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(-c2cccc3c2OCCO3)c1,YHCQUADYKNMSMF-UHFFFAOYSA-N
rxn:5:189212:228077:223186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cnn(C3CCCCO3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,AJHWFUOTZIBHSA-UHFFFAOYSA-N
rxn:5:189212:228078:226150,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CCCC3)c2)c(-c2ccc3c(c2)COC3=O)c1,YYWRPBJHPLGVFO-UHFFFAOYSA-N
rxn:5:189212:228079:225453,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cccc3c2COC3=O)c1,XDZMTHYUFCHZRO-UHFFFAOYSA-N
rxn:5:189212:228744:226652,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(F)c(C#N)c2)n(C2CCCCO2)n1,UJGFWAYPEMVIBO-UHFFFAOYSA-N
rxn:5:189212:228893:225407,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,BMRDYMFNCUOINH-UHFFFAOYSA-N
rxn:5:189319:225466:226062,CC(C)c1cc(-c2ccc(-c3ccc(N4CCCCC4C)cc3)c(C(=O)OC(C)(C)C)n2)cc(C(C)C)c1,KSSXJTLBJOHDBA-UHFFFAOYSA-N
rxn:5:189336:226848:226427,COc1ccc(-c2ccc(C(=O)N(C)C3CC3)cc2-c2cc(N3CCC(C)CC3)cs2)c(C(F)(F)F)n1,FFLMIYOMFPLFEV-UHFFFAOYSA-N
rxn:5:189337:226842:222981,COc1c(-c2cncc(C(=O)C(F)(F)F)c2)cc(C(=O)N(C)C)cc1-c1ccnc(NC2CCCCC2)c1,PGZMDIOVTVKWSI-UHFFFAOYSA-N
rxn:5:189448:227519:222990,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CC(OC)C3)cc2-c2ccc(N3CCC(O)CC3)cc2)cn1,DJLCEXWGZIRXPY-UHFFFAOYSA-N
rxn:5:189449:225938:225982,COC1CN(C(=O)c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)C1,QFLUKSBESNKUFW-UHFFFAOYSA-N
rxn:5:189449:227561:225633,COc1cc(F)c(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2C(=O)N2CC(OC)C2)cc1OC,AMWUZJWBMFAARU-UHFFFAOYSA-N
rxn:5:189665:226777:225625,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3cc(OC4CCCC4)ccc3F)c2)cc(OC(F)F)c1F,XCZAHACQWDEJES-UHFFFAOYSA-N
rxn:5:189673:226611:226768,CCc1ccc(C(F)(F)F)cc1-c1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc(SC)c(C(F)(F)F)c2)c1,WVZGSONPKXFZEE-QNVXDBMFSA-N
rxn:5:189718:223000:226783,COc1cc(F)c(F)c(OC)c1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(C2CCCNC2)c(F)c1,NORIVAFBRHXREQ-UHFFFAOYSA-N
rxn:5:189718:226343:228416,COc1cc(F)cc(F)c1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(OC2CCOC2)cc1,HJZIXFNMJSIIMB-UHFFFAOYSA-N
rxn:5:189718:227345:225449,CC(C)Oc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cccc(OC3CCCCC3)c2)c(F)c1,BTNVVOBYCPOUKN-UHFFFAOYSA-N
rxn:5:189718:228416:226159,COc1cc(F)cc(F)c1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1cccc(N2CCCCC2)c1,DRQWEDOOAZFZCP-UHFFFAOYSA-N
rxn:5:189718:228541:225595,O=[N+]([O-])c1cc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2ccc3c(c2)COC3)cc1OC1CCOCC1,BUYRLCMJNSOTLD-UHFFFAOYSA-N
rxn:5:189826:228487:225926,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1cccc(F)c1[N+](=O)[O-])N1CCOCC1,OBOFOIZELOPSFO-UHFFFAOYSA-N
rxn:5:189827:225929:225815,Cc1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc(C3CC3)cc2C(F)(F)F)ccc1S(=O)(=O)N(C)C,KOICBRFQFBNVQS-UHFFFAOYSA-N
rxn:5:189827:227875:225946,CC(=O)c1cc(-c2ccc(CC(=O)N3CCOCC3)cc2-c2cccc3c2CCCO3)cc(C(F)(F)F)c1,SBZBFHSAKFVDBU-UHFFFAOYSA-N
rxn:5:189908:225794:227386,c1nc(OC2CCCCC2)ncc1-c1cnc(-c2cnn(C3CCCCC3)c2)c(OCC2CCCCC2)c1,XXRUKECSUPUXCO-UHFFFAOYSA-N
rxn:5:189909:225976:223061,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,UDRQPNVUSCEVSA-UHFFFAOYSA-N
rxn:5:189910:225833:223141,Fc1c(-c2ccc(-c3cncc(C4CCNCC4)c3)c(CCN3CCOCC3)c2)ccnc1N1CCCCC1,ZPOHXYNVDZNKDG-UHFFFAOYSA-N
rxn:5:189910:225833:227379,Fc1c(-c2ccc(-c3cccnc3N3CCCC3)c(CCN3CCOCC3)c2)ccnc1N1CCCCC1,YIGPHEWGLVMYHR-UHFFFAOYSA-N
rxn:5:189952:225784:223062,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,NFRPEDVZYYVHIB-UHFFFAOYSA-N
rxn:5:189952:227612:225597,COc1c(-c2ccc(OC3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnn(C2CCCCO2)c1,BWZDDMLSAICZPP-UHFFFAOYSA-N
rxn:5:190000:226901:225439,CC(c1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)c1)N1CCCC1,NGZCUWROEDZAFR-UHFFFAOYSA-N
rxn:5:190001:226149:227801,COc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2c(C(F)(F)F)ccnc2F)cc1C(C)(C)C,YUBVEUXWPPMBFR-UHFFFAOYSA-N
rxn:5:190097:226040:223283,CNc1ccc(-c2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2CCN2CCCCC2)cc1[N+](=O)[O-],YFOWNNDOVWTNLL-UHFFFAOYSA-N
rxn:5:190097:227766:226382,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2cnc(C3CCCCC3)nc2)c(CCN2CCCCC2)c1,WMJAWHQHAOCYRE-UHFFFAOYSA-N
rxn:5:190097:227766:227390,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2ccnn2C2CCCCC2)c(CCN2CCCCC2)c1,CWCQBZXDVLWYIO-UHFFFAOYSA-N
rxn:5:190127:225871:223294,COC1CCN(C(=O)c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2-c2csc(N3CCNCC3)n2)CC1,LZOCDBUNSXULQC-UHFFFAOYSA-N
rxn:5:190127:228155:226146,COc1ccc(-c2ccc(-c3ccc(SC4CCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)cc1OC,YRXFZMTURWVODH-UHFFFAOYSA-N
rxn:5:190128:225849:227662,COC1CCN(C(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)c(-c3ccc(C)cc3C(F)(F)F)c2)CC1,QYGKOCFERUOHAW-UHFFFAOYSA-N
rxn:5:190128:227935:226068,CCc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2c(C)cc(C(C)(C)C)cc2C)ccc1OC,BFFUAVWUYJMDLF-UHFFFAOYSA-N
rxn:5:190177:227804:226901,O=C1CC(Sc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)C(=O)N1c1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])cc1,MDZOOLFDLXGWSG-UHFFFAOYSA-N
rxn:5:190194:227364:225450,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C(=O)C3CCCC3)cc2)c(OC)c1C,ACUHPNAJIUSADO-UHFFFAOYSA-N
rxn:5:190195:226644:227376,CN(Cc1ccc(-c2cncc(N3CCOCC3)c2)c(-c2cncc(N3CCCC3)c2)c1)C1CCOCC1,FIKOIKCEPZIYCD-UHFFFAOYSA-N
rxn:5:190196:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,BUWQQQFQFQBJBE-UHFFFAOYSA-N
rxn:5:190196:225924:227044,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C(=O)C3CC3)cc2)c1,RRAXUEBVNRRHGP-UHFFFAOYSA-N
rxn:5:190197:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,OPQKHEDCWZDIHY-UHFFFAOYSA-N
rxn:5:190199:225445:227300,CN(Cc1cc(-c2cncc(OC3CCC3)c2)ccc1-c1ccccc1OC1CCCCC1)C1CCOCC1,ZIUCGMCDRZETLY-UHFFFAOYSA-N
rxn:5:190199:225808:222990,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)cc2)ccc1-c1cc(OC2CCCC2)ncc1F)C1CCOCC1,ILBSRZPPAFTEDZ-UHFFFAOYSA-N
rxn:5:190199:227124:225449,CN(Cc1cc(-c2cccc(OC3CCCCC3)c2)ccc1-c1ccc(C(C)(C)C)cc1F)C1CCOCC1,WUKPWZFAAKICPW-UHFFFAOYSA-N
rxn:5:190200:225472:226600,CCOc1c(F)c(C)cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cccc(N4CCCCC4C)c3)c2)c1F,AINHCMSXSMWZQZ-UHFFFAOYSA-N
rxn:5:190200:225605:226395,Cc1cnc(OC2CCCC2)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4)c3)c2)c1,AHPHOIZDDMAXDP-UHFFFAOYSA-N
rxn:5:190200:226134:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C#N)cc(C3CC3)c2C)c1,YHBJGMLASFJVMZ-UHFFFAOYSA-N
rxn:5:190231:225833:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCCCC2)c1F,BDDGEHQRCABPKW-UHFFFAOYSA-N
rxn:5:190231:226366:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCCCC2)c1,UVNQZVZRVRQXOW-UHFFFAOYSA-N
rxn:5:190264:228454:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1cc(OC)nnc1OC,MHSRFILUPWYJTM-UHFFFAOYSA-N
rxn:5:190265:223143:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc(N4CCC(O)C4)c3)c2)C1,ZNMSGFNHLGTEMB-UHFFFAOYSA-N
rxn:5:190299:223189:226899,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O,JDCIYQDKTQZOKW-UHFFFAOYSA-N
rxn:5:190299:226899:225886,COc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)C1=O,XBGAZXMAYSDNDU-UHFFFAOYSA-N
rxn:5:190299:226899:227953,COc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(N(C)C)cc3C)cc2)C1=O,AGMKLQXRFKYYCU-UHFFFAOYSA-N
rxn:5:190307:222995:223435,COC(=O)c1ccc(-c2ccc(-c3cccc(N4CCCC(O)C4)c3)cc2CCN2CCC(C)CC2)[nH]1,GJVMNTYVWHMOQU-UHFFFAOYSA-N
rxn:5:190307:226603:226449,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccccc3C3(C)OCCO3)c(CCN3CCC(C)CC3)c2)c1,DQPQOTRBKFEMTO-UHFFFAOYSA-N
rxn:5:190335:226594:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1c(F)cc(OC(C)C)cc1F,LGNCCXKMEDLKGK-UHFFFAOYSA-N
rxn:5:190335:227810:225802,CCC(C)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(OC4CCCC4)nc3F)c2OC)cc1,IHMLDYVRLDVNNF-UHFFFAOYSA-N
rxn:5:190336:223389:228496,COc1c(-c2cnn(CC(F)(F)F)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1c(C)n[nH]c1C(F)(F)F,LGIIORXSAJTAEX-UHFFFAOYSA-N
rxn:5:190337:229099:225623,COc1c(-c2cccc(OC3CCOCC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(C)ccnc1F,VJGQBWXMBBJUBA-UHFFFAOYSA-N
rxn:5:190404:228501:225637,CN1CCN(c2ccccc2-c2ccccc2C2CCN(C(=O)c3ccc(-c4cnn(C)c4C(F)(F)F)o3)CCS2)CC1,UWIKXXPKNUOGGS-UHFFFAOYSA-N
rxn:5:190418:227117:226643,Cc1cc(-c2ccc(N3CCOCC3)nc2)ccc1N1C(=O)CC(Cc2ccc(-c3cc(C4CC4)cc(C)c3F)cc2)C1=O,NZOYAMFLROVWRP-UHFFFAOYSA-N
rxn:5:190421:225797:223189,CC(C)(C)c1ccc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(NS(C)(=O)=O)cc6F)c5)C4=O)o3)cc2)cc1[N+](=O)[O-],USZXOHARUZQYOM-UHFFFAOYSA-N
rxn:5:190421:225808:227662,Cc1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6cc(OC7CCCC7)ncc6F)cc5)o4)SC3=S)c2)c(C(F)(F)F)c1,ZVFBYCZMQQTDKM-UHFFFAOYSA-N
rxn:5:190421:226040:223284,Cc1c(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(NS(C)(=O)=O)cc6)c5)C4=O)o3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],VQRVHJTVXLEKDD-UHFFFAOYSA-N
rxn:5:190421:227291:225621,Cc1cc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6ccc(CN(C)C)c(F)c6)cc5)o4)SC3=S)c2)ccc1OC1CCOC1,TXQVTCXBJSXUKM-UHFFFAOYSA-N
rxn:5:190484:223164:226414,O=C(c1cccc(-c2cc(F)c(F)c(NC3CC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3=NCCCO3)cc2)S(=O)(=O)CC1,OULALVGVAVWQHX-UHFFFAOYSA-N
rxn:5:190484:226900:226900,O=C(c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1)N1CCC(c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)S(=O)(=O)CC1,FQUBLKJTXHGYCW-UHFFFAOYSA-N
rxn:5:190484:228487:227041,CCOc1cc(C)c(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(F)c4[N+](=O)[O-])c3)CCS2(=O)=O)cc1C,NAWWOSQYIYVFMM-UHFFFAOYSA-N
rxn:5:190740:223062:223061,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cc(C2CCNCC2)ncc1F,NRQCJDQDVDHYET-UHFFFAOYSA-N
rxn:5:190740:223062:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,DRNUFOFXCQOESG-UHFFFAOYSA-N
rxn:5:190740:225833:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccnc(N2CCCCC2)c1F,KCTYHVWFWSCTBD-UHFFFAOYSA-N
rxn:5:190741:223056:223064,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,OBNZHGHPLUMPDA-UHFFFAOYSA-N
rxn:5:190742:225982:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,KRABTCNNOMSCEJ-UHFFFAOYSA-N
rxn:5:190743:225834:225655,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cncc(N2CCC(C)CC2)c1,ZOYKOEGKGXJCKP-UHFFFAOYSA-N
rxn:5:190743:225976:225639,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cccnc1N1CCC(C)CC1,HIRHFKCFCZBXLT-UHFFFAOYSA-N
rxn:5:190743:225980:223061,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,PJFCJSVGZIVDSO-UHFFFAOYSA-N
rxn:5:190744:223065:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,GWSRSRZEGCKLCW-UHFFFAOYSA-N
rxn:5:190744:225655:225633,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,YGINTMYCDFOJGU-UHFFFAOYSA-N
rxn:5:190744:225656:225849,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,RHZFKECXKOHZEB-UHFFFAOYSA-N
rxn:5:190744:225881:225976,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZDCGYRQOSWMQLE-UHFFFAOYSA-N
rxn:5:190998:225834:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,DQBGJEWGQKWUME-UHFFFAOYSA-N
rxn:5:190998:226366:226644,COC(=O)c1cc(-c2cncc(N3CCOCC3)c2)ccc1N1Cc2cc(-c3ccnc(N4CCCCC4)c3)ccc2OCC1=O,UZNXVZLSBXKDET-UHFFFAOYSA-N
rxn:5:191026:227520:226899,COC(=O)C1=CN(c2ccc(C)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c2cc(-c3cnc(OC(C)C)cc3F)ccc2S1(=O)=O,XACQXDQXBQXXGC-UHFFFAOYSA-N
rxn:5:191026:227561:226899,COC(=O)C1=CN(c2ccc(C)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c2cc(-c3cc(OC)c(OC)cc3F)ccc2S1(=O)=O,BQSGYRAUTPHNQJ-UHFFFAOYSA-N
rxn:5:191049:226026:225623,COc1cc(N2Cc3cc(-c4ccc(S(=O)(=O)N(C)C)c(F)c4)ccc3OCC2=O)c(OC)cc1-c1cccc(OC2CCOCC2)c1,PSJYUYWKKMYVLM-UHFFFAOYSA-N
rxn:5:191049:226664:223061,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cc(C2CCNCC2)ncc1F,ZZVREBWICBOMOD-UHFFFAOYSA-N
rxn:5:191049:226664:225980,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,SPMABSJYPPLVLS-UHFFFAOYSA-N
rxn:5:191049:227376:225982,COc1cc(N2Cc3cc(-c4cncc(N5CCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,UWCUDUCDEPTERP-UHFFFAOYSA-N
rxn:5:192235:226835:226837,COc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2c(C)nn(CC(F)(F)F)c2C)cc1S(N)(=O)=O,HPFJLYKGUZGUHJ-UHFFFAOYSA-N
rxn:5:192565:225824:225653,CC1CCCCN1c1ccc(-c2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)ccc2C2(C#N)CCC2)cn1,PZRWULYEKRTCFL-UHFFFAOYSA-N
rxn:5:192571:225880:225625,O=C(c1cccc(-c2cc(C3CCOCC3)ncc2F)c1-c1cc(OC2CCCC2)ccc1F)N1CCC1,KVXBFHLKDATJBR-UHFFFAOYSA-N
rxn:5:193225:226420:226781,Cc1cc(OC(F)(F)F)cc(-c2ccc(-c3ccc(F)c(N4CCCC4)c3)cc2C(=O)N2CCOCC2)c1,QQKOWXRJRRGORF-UHFFFAOYSA-N
rxn:5:193226:225980:226679,O=C(c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cnc(N3CCCC3)cc2F)c1)N1CCOCC1,IBJCYJHOMXSZFF-UHFFFAOYSA-N
rxn:5:193226:228100:226837,CCCn1nc(C)c(-c2ccc(C(=O)N3CCOCC3)cc2-c2c(C)nn(CC(F)(F)F)c2C)c1C,LMUPPXSDYLXPKF-UHFFFAOYSA-N
rxn:5:193229:223061:223061,O=C(c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cc(C2CCNCC2)ncc1F)N1CCOCC1,VSTWXUUTDUTFLQ-UHFFFAOYSA-N
rxn:5:193229:225881:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccc(C4CCOCC4)nc3F)c2)CC1,KPRMTBDEHKTKEH-UHFFFAOYSA-N
rxn:5:193333:226686:225652,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCOCC2)cc1-c1cncc(N2CCCC(C)C2)c1,FEJVVVMIXQICRE-UHFFFAOYSA-N
rxn:5:193334:226881:225811,COc1c(F)c(F)c(-c2c(CN3CCOCC3)cccc2-c2ccc(C3(C(F)(F)F)CC3)cc2)c(F)c1F,OFPLFZZISZJDRB-UHFFFAOYSA-N
rxn:5:193382:223056:228653,O=S(=O)(c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cnn2c1CCCC2)N1CCOCC1,IGHIWFLYABVTJB-UHFFFAOYSA-N
rxn:5:193382:225784:225976,O=S(=O)(c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,AEIILRURSCFAOT-UHFFFAOYSA-N
rxn:5:193382:225874:227295,O=S(=O)(c1ccc(-c2ccc(F)c(N3CCOCC3)c2)cc1-c1ccnc(OC2CCC2)c1)N1CCOCC1,AIVGCTASJNYHAV-UHFFFAOYSA-N
rxn:5:193382:227587:226146,COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(SC4CCCC4)cc3)c2)cc(F)c1OC,JUCRURGHEICYOY-UHFFFAOYSA-N
rxn:5:193459:226040:227683,Cc1c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C#N)cc3[N+](=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],UHAYXVOYQJRYLG-UHFFFAOYSA-N
rxn:5:193460:226901:225986,O=C(c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCCCC1,ILLFEZINAIAFAH-UHFFFAOYSA-N
rxn:5:193461:226901:226427,CC1CCN(c2csc(-c3cc(-c4cccc(S(F)(F)(F)(F)F)c4)ccc3C(=O)N3CCCCC3)c2)CC1,BTQQWBILOFELCW-UHFFFAOYSA-N
rxn:5:193461:227705:223004,COc1cc(C(F)F)ncc1-c1ccc(C(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)c(F)c2)c1,ADEKERKDCVWYDK-UHFFFAOYSA-N
rxn:5:193462:226146:226901,O=C1CCN(Cc2cc(-c3ccc(SC4CCCC4)cc3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,PYXPAOPVANCECV-UHFFFAOYSA-N
rxn:5:193462:226164:226747,CCc1ncc(-c2ccc(-c3ccc(N4CCCCC4)cc3)cc2CN2CCC(=O)CC2)cc1C(F)(F)F,ZGKXCIPMXPTGQD-UHFFFAOYSA-N
rxn:5:193462:226901:227404,O=C1CCN(Cc2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2cc(N3CCCCC3)cs2)CC1,WLHBNIPTRULYQX-UHFFFAOYSA-N
rxn:5:193462:227801:226654,CC1CCN(c2nc(-c3ccc(-c4c(C(F)(F)F)ccnc4F)cc3CN3CCC(=O)CC3)cs2)CC1,GKQUMPWEUCNULG-UHFFFAOYSA-N
rxn:5:193463:226040:223283,CNc1ccc(-c2cc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)ccc2CN2CCC(=O)CC2)cc1[N+](=O)[O-],VZRWTOJVFAOYJX-UHFFFAOYSA-N
rxn:5:193463:226900:227390,O=C1CCN(Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2ccnn2C2CCCCC2)CC1,XWQGVMMHEVZDAQ-UHFFFAOYSA-N
rxn:5:193463:226901:222993,O=C1CCN(Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cccc(N3CCCCC3O)c2)CC1,VEOKRBLTSWPWGJ-UHFFFAOYSA-N
rxn:5:193464:225451:227348,COc1ccc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2C2(C#N)CCCCC2)c(C)c1OC,KVGGDQBXNAQFBT-UHFFFAOYSA-N
rxn:5:193464:226040:227710,Cc1c(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],PCEKNPHQWHNQPH-UHFFFAOYSA-N
rxn:5:193464:226774:223065,N#CC1(c2ccc(-c3ccc(OC(F)=C(F)F)cc3)cc2-c2ccc(N3CCNCC3)cc2F)CCCCC1,GZJFVGOHPQNRDT-UHFFFAOYSA-N
rxn:5:193465:225472:226901,CC1CCCCN1c1cccc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,ZHIJRTLIHPUFNT-KEKNWZKVSA-N
rxn:5:193465:226042:227783,C[C@H]1CCCN1C(=O)c1cccc(-c2cc([N+](=O)[O-])c(F)cc2F)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,LWPDFAUNHSPHNK-ZDUSSCGKSA-N
rxn:5:193465:226742:222992,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCCC3O)cc2)c1-c1ccc(C#N)cc1C(F)(F)F,WXIZDGFMVZCONP-CQHAJPFMSA-N
rxn:5:193465:226779:223145,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCC(=O)N3)cc2)c1-c1ccc(C(=O)C(F)(F)F)cc1,LTKVGWCREDHGAK-CPFIQGLUSA-N
rxn:5:193465:226867:226319,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1c(F)cccc1OC(F)(F)F,ATQILSMFYXVORV-SFHVURJKSA-N
rxn:5:193465:226884:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1c(F)cc(C(F)(F)F)cc1F,DSDOVZYJVPJKAR-AWEZNQCLSA-N
rxn:5:193465:226900:223143,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3CCC(O)C3)c2)c1-c1ccc(S(F)(F)(F)(F)F)cc1,ZDVOWHXFNUHACZ-HSTJUUNISA-N
rxn:5:193465:227345:225621,Cc1cc(-c2cccc(C(=O)N3CCC[C@@H]3C)c2-c2ccc(OC(C)C)cc2F)ccc1OC1CCOC1,ZOTKHHFSUKIJPN-XADRRFQNSA-N
rxn:5:193465:227752:225985,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1ccc(C(F)(F)F)cc1F,NLZHGTJSPVDVAN-SFHVURJKSA-N
rxn:5:193465:227780:225616,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1c(F)ccc([N+](=O)[O-])c1F,IOSDTFPLZKHMEQ-SFHVURJKSA-N
rxn:5:193465:227801:225987,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCS3(=O)=O)cc2)c1-c1c(C(F)(F)F)ccnc1F,GKLJEKOKXJQXJQ-KRWDZBQOSA-N
rxn:5:193467:225498:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cc(C2CCCCC2)ccc1F,ZDQGVNIQSPOOHS-FQEVSTJZSA-N
rxn:5:193467:225946:227095,CC(=O)c1cc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)cc2C(=O)N2CCC[C@@H]2C)cc(C(F)(F)F)c1,DAICGWMPORINJJ-SFHVURJKSA-N
rxn:5:193467:226186:226901,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1ccccc1C1CCOCC1,OSAPHVDEUJYNNA-FQEVSTJZSA-N
rxn:5:193467:227552:225622,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC2CCCCO2)ccc1-c1ccccc1CC(F)(F)F,GMQZKVHUYGVRNL-TYKNXJODSA-N
rxn:5:193467:227746:225450,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1cccc(C(F)(F)F)c1F,QATKGLDTIAHDHR-IBGZPJMESA-N
rxn:5:193468:226041:227082,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2N2CCCC2)cccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,RZJHBBUCRUMSOK-IBGZPJMESA-N
rxn:5:193468:226041:228211,C[C@H]1CCCN1C(=O)c1c(-c2cc(N3CCCC3)cs2)cccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,PMDFFQQCBNYRIR-KRWDZBQOSA-N
rxn:5:193468:226042:226918,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3=CCCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,XNZFVMQDHHLVKT-IBGZPJMESA-N
rxn:5:193468:226049:225986,C[C@H]1CCCN1C(=O)c1c(-c2cc(F)c(OC(F)(F)F)c(F)c2)cccc1-c1ccccc1N1CCCS1(=O)=O,UQIZHWCUMGFUPR-KRWDZBQOSA-N
rxn:5:193468:226164:226741,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCCC3)cc2)cccc1-c1cc(C(F)(F)F)ccc1C#N,QMKJXCPVOSBKJY-NRFANRHFSA-N
rxn:5:193469:226049:227206,Cc1c(-c2cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)ccc2C(=O)N2CCC[C@H]2C)ccc2c1COC2=O,XDIIRFDSNSOQMW-CQSZACIVSA-N
rxn:5:193469:226469:226740,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1-c1cccc(C(F)(F)F)c1C#N,IWDKIBWCJYGFNV-QGZVFWFLSA-N
rxn:5:193506:226186:226738,CC(=O)c1ccc(-c2cc(-c3ccccc3C3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)c([N+](=O)[O-])c1,WTNURWUVXZEPOY-UHFFFAOYSA-N
rxn:5:193506:226743:228653,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn4c3CCCC4)c2)cc(C(F)(F)F)n1,HMTZUFZSKDBMHR-UHFFFAOYSA-N
rxn:5:193506:227679:227183,CN1Cc2cc(-c3cc(-c4ccc5c(c4)OC(F)(F)O5)ccc3S(=O)(=O)N3CCC(=O)CC3)ccc2C1=O,WPQRLDGYERGHKV-UHFFFAOYSA-N
rxn:5:193506:227766:227390,CCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnn2C2CCCCC2)c1,IGJLTMLBJZTSGU-UHFFFAOYSA-N
rxn:5:193506:228498:227680,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc4c3OC(F)(F)O4)c2)c(C(F)(F)F)n1,OLIBHJXCKLJZOK-UHFFFAOYSA-N
rxn:5:193506:228501:226915,Cn1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCCC4)cc3)c2)c1C(F)(F)F,CDGMAZHNHDLIPX-UHFFFAOYSA-N
rxn:5:193506:228501:227679,Cn1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)OC(F)(F)O4)c2)c1C(F)(F)F,BZDAJRADFDQCDN-UHFFFAOYSA-N
rxn:5:193506:228501:228499,Cn1nc(C(F)(F)F)cc1-c1cc(-c2cnn(C)c2C(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,DFVHULDZHXNDIM-UHFFFAOYSA-N
rxn:5:193506:228653:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cnn3c2CCCC3)ccc1S(=O)(=O)N1CCC(=O)CC1,PMGFWHUNULBMKM-UHFFFAOYSA-N
rxn:5:193506:228967:226900,Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)c(C(F)F)n1,DIPGHWJRXSFDEB-UHFFFAOYSA-N
rxn:5:193506:229079:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2csc(C3CC3)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,AFPSCOMFORJTRJ-UHFFFAOYSA-N
rxn:5:193537:225925:226899,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1c(CN2CCCCC2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],JWYFMQZDIIVURP-UHFFFAOYSA-N
rxn:5:193537:225931:226899,Cc1cc(-c2c(CN3CCCCC3)cccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(S(=O)(=O)N(C)C)c1,LBIJDOANOLZAKZ-UHFFFAOYSA-N
rxn:5:193541:225924:226899,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(CN2CCCCC2)cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,TZOFHSFFCAAKCT-UHFFFAOYSA-N
rxn:5:193541:225925:226899,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCCCC2)cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,MSHHEHAAIINLOL-UHFFFAOYSA-N
rxn:5:193542:223064:226053,Fc1ccc(-c2c(CN3CCCCC3)cccc2-c2ccc(C3CCNCC3)nc2F)c(F)c1OC(F)(F)F,DGWLYRQVHXNONS-UHFFFAOYSA-N
rxn:5:193652:226040:223189,Cc1c(-c2ccc(C3=NC(=Cc4ccc(-c5ccc(NS(C)(=O)=O)cc5F)cc4)C(=O)O3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],QUFDWSRSTXKHAK-UHFFFAOYSA-N
rxn:5:193710:227277:226040,Cc1c(-c2ccc(C=C3SC(=S)N(c4cccc(-c5ccc(N(C)C)c(C#N)c5)c4)C3=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],GHDGBXDCTVKCFG-UHFFFAOYSA-N
rxn:5:193710:227297:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(C=C2SC(=S)N(c3cccc(-c4cc(CN(C)C)ccc4F)c3)C2=O)cc1,MNANCPJDYKHXCQ-UHFFFAOYSA-N
rxn:5:193751:225929:225620,Cc1cc(-c2ccc(-c3ccc(OC4CCOCC4)cc3)cc2C(=O)N2CCCC(C)C2)ccc1S(=O)(=O)N(C)C,SHTUKYBAHUPHOZ-UHFFFAOYSA-N
rxn:5:193754:226424:227692,COc1c(-c2c(C(=O)N3CCC(C)CC3)cccc2-c2cc(N3CCCC(C)C3)cs2)cccc1[N+](=O)[O-],MXFSYYCIAKTJOF-UHFFFAOYSA-N
rxn:5:193754:226886:227207,CC1CCN(C(=O)c2cccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c2-c2cccc3c2OCCC3=O)CC1,FBWMZNFXXLQAIJ-UHFFFAOYSA-N
rxn:5:193807:225581:226035,COc1ccc(C(F)(F)F)c(F)c1-c1cccc(CN2CCC(C)CC2)c1-c1ccc(CN2CCOCC2)cc1,KXRCKTUTXMDALG-UHFFFAOYSA-N
rxn:5:193807:226159:226901,CC1CCN(Cc2cccc(-c3cccc(S(F)(F)(F)(F)F)c3)c2-c2cccc(N3CCCCC3)c2)CC1,FBJNBQAXDDSLNK-UHFFFAOYSA-N
rxn:5:193807:226190:226420,CC1CCN(Cc2cccc(-c3ccc(F)c(N4CCCC4)c3)c2-c2ccc(C3CCCC3)cc2F)CC1,DGYVHXUNVCKEKV-UHFFFAOYSA-N
rxn:5:193807:226886:225816,CC1CCN(Cc2cccc(-c3cc(C4CC4)ccc3C(F)(F)F)c2-c2cc(F)c(C(F)(F)F)c(F)c2)CC1,MSSGAUFXSMNFLE-UHFFFAOYSA-N
rxn:5:193808:226045:226757,Cc1cc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)F)nc3)cc2CN2CCC(C)CC2)ccc1OC(F)(F)F,IRLIHERMNORFSG-UHFFFAOYSA-N
rxn:5:193808:226053:226867,CC1CCN(Cc2cc(-c3ccc(F)c(OC(F)(F)F)c3F)ccc2-c2c(F)cccc2OC(F)(F)F)CC1,WTIJKAANHJEFQG-UHFFFAOYSA-N
rxn:5:193809:222995:225802,CC1CCN(Cc2ccc(-c3cccc(N4CCCC(O)C4)c3)cc2-c2ccc(OC3CCCC3)nc2F)CC1,LFBXELQJQLGVKW-UHFFFAOYSA-N
rxn:5:193867:228121:226338,CCOc1nccc(C)c1-c1cc(-c2ccnc(OC3CCCC3)c2)cc(C2(N3CCC(=O)CC3)CC2)c1,JPCVLFMEXXPKIC-UHFFFAOYSA-N
rxn:5:193869:222959:227922,CCc1cc(OC)ccc1-c1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)c(C)c2)cc1C,LMEHBVFHPXZNCA-UHFFFAOYSA-N
rxn:5:193869:223231:226572,CNC(=O)c1ccc(-c2cc(C)c(-c3cnc(OC4CCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc1C,CFAKKGOSQYSAAI-UHFFFAOYSA-N
rxn:5:193869:226749:227552,COc1cccc(C(F)(F)F)c1-c1cc(C)c(-c2ccccc2CC(F)(F)F)cc1S(=O)(=O)N1CCCCC1,YGMNSPQIKQMZCN-UHFFFAOYSA-N
rxn:5:193870:222983:227359,COC(=O)c1cccc(-c2cc(-c3cccc(CN4CCC(O)C4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1C,NYEZLXCKJBQUJL-UHFFFAOYSA-N
rxn:5:193870:225620:228683,CCCc1ncc(-c2cc(-c3ccc(OC4CCOCC4)cc3)c(C)cc2S(=O)(=O)N2CCCCC2)cn1,MPVAHJCZWHEFAD-UHFFFAOYSA-N
rxn:5:193870:226644:228341,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(OC(F)F)cc2)cc1-c1cncc(N2CCOCC2)c1,JDKSLOVJLRTXHL-UHFFFAOYSA-N
rxn:5:193870:226777:223063,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1cc(C)c(F)c(OC(F)F)c1,BQFYJCRUUATQKP-UHFFFAOYSA-N
rxn:5:193870:226836:228531,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc3c2CCO3)cc1-c1cn(C(C)C)nc1C(F)(F)F,NDNJWHMPNQSOFN-UHFFFAOYSA-N
rxn:5:193870:226836:228677,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn(CC(C)C)c2)cc1-c1cn(C(C)C)nc1C(F)(F)F,KCPKYOCXAROYSD-UHFFFAOYSA-N
rxn:5:193870:226837:228717,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cn(C3CC3)nc2C)cc1-c1c(C)nn(CC(F)(F)F)c1C,TYOFBLKIAPHWNJ-UHFFFAOYSA-N
rxn:5:193870:227683:227710,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(OS(C)(=O)=O)cc2)cc1-c1ccc(C#N)cc1[N+](=O)[O-],ALHIQUJMJWQLBN-UHFFFAOYSA-N
rxn:5:193892:226181:226320,N#CC1(c2ccc(F)c(-c3ccc(C4SCC(=O)N(c5ccc(-c6ccc(C7=CCCCC7)nc6)cc5)C4=O)cc3)c2)CC1,RAVZMSVNBOBPPW-UHFFFAOYSA-N
rxn:5:193912:226901:226060,O=C1CS(=O)C(c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,DFRMEKKRTRRPCN-UHFFFAOYSA-N
rxn:5:193932:226050:226754,CCOc1c(F)cc(F)c(-c2ccc(C(=O)N3CC(C)CC(C)C3)cc2-c2c(F)cc(OC(F)(F)F)cc2F)c1F,CHPYCGTXKFRPEI-UHFFFAOYSA-N
rxn:5:193967:226907:228181,COCc1cc(F)ccc1-c1cc(-c2cccc3c2CCC32CC2)ccc1CN1CCC2(CC1)OCCO2,WAKYXAVMIAMIDC-UHFFFAOYSA-N
rxn:5:193968:226190:225929,Cc1cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2CN2CCC3(CC2)OCCO3)ccc1S(=O)(=O)N(C)C,AIXYTDMSAVNBOH-UHFFFAOYSA-N
rxn:5:193968:226744:229148,CCc1cc(-c2ccc(-c3cnn(CCF)c3)c(CN3CCC4(CC3)OCCO4)c2)cnc1C(F)(F)F,CVJJEBVIEFLLOB-UHFFFAOYSA-N
rxn:5:193968:228153:222990,COc1cc(OC)cc(-c2ccc(-c3ccc(N4CCC(O)CC4)cc3)c(CN3CCC4(CC3)OCCO4)c2)c1,RLGPVJBQBZCQKS-UHFFFAOYSA-N
rxn:5:193968:228498:228454,COc1cc(-c2ccc(-c3cn(C)nc3C(F)(F)F)cc2CN2CCC3(CC2)OCCO3)c(OC)nn1,UVUNSZHQWCNSBZ-UHFFFAOYSA-N
rxn:5:193972:225584:228363,Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(N(C)C)cc1F,UYLLQWYNHRCLGC-UHFFFAOYSA-N
rxn:5:193972:225587:228992,Cc1cc(-c2cccc(CN3CCOCC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C#N)c1,ZIBLQWDJVFEHRU-UHFFFAOYSA-N
rxn:5:193972:226142:228599,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(OC4CCCC4)c3)cc2C)cc1C,ZJTAVOCQLPSEGH-UHFFFAOYSA-N
rxn:5:193972:226729:226581,Cc1cc(-c2cnc(OC3CCOC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(C(=O)N(C)C)c1F,USESDOULOJEBQO-UHFFFAOYSA-N
rxn:5:193972:227349:226915,COc1cc(C)cc(-c2cc(C)c(-c3ccc(C4CCCC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1OC,JFEMXPNSPDMKQD-UHFFFAOYSA-N
rxn:5:193972:227766:228704,CCn1nc(C(F)(F)F)cc1-c1cc(C)c(-c2c(C)nn(CC)c2C)cc1S(=O)(=O)N1CCCCCC1,DFYNDEBEYDPVGI-UHFFFAOYSA-N
rxn:5:194397:226140:225810,COc1ccc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cc(C(C)(C)C)ccc3OC)c2)c(C2OCCO2)c1,ZINCEIFQUKBVEA-UHFFFAOYSA-N
rxn:5:194522:226411:225447,CC(C)CN1CCc2c1ccc(-c1ccc(N3CCOCC3)cc1)c2-c1ccc(OC2CCCCC2)cc1,UYKQQDHGWXIZIK-UHFFFAOYSA-N
rxn:5:194522:227279:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cc(C3CC3)nn2C(C)C)ccc2c1CCN2CC(C)C,SOIHRAWGCZHGDY-UHFFFAOYSA-N
rxn:5:194561:226710:227894,C[Si](C)(C)c1c(F)ccc(-c2ccc(-c3cccc(/C=C/C#N)c3)c(C(=O)N3C4CCC3COC4)c2)c1F,XSNTZLUWNINNPW-FNORWQNLSA-N
rxn:5:194561:227185:223192,CNS(=O)(=O)c1cc(-c2ccc(-c3ccc4c(c3)N(C)CCO4)cc2C(=O)N2C3CCC2COC3)ccc1F,NWDSVHUATLJUON-UHFFFAOYSA-N
rxn:5:194561:228342:226901,O=C(c1cc(-c2cccc(OC(F)F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1COC2,WFDABEBDKHVUNB-UHFFFAOYSA-N
rxn:5:194659:223001:226152,COc1cc(C2CC2)cc(-c2cccc(CN3Cc4cc(-c5cc(C6CCCNC6)ccc5F)ccc4OCC3=O)c2)c1C,CPWPWAYCARMPLL-UHFFFAOYSA-N
rxn:5:194661:225799:226739,CC(=O)c1ccc(-c2ccc3c(c2)CN(Cc2ccc(-c4cncc(OC5CCOCC5)c4)cc2)C(=O)CO3)cc1[N+](=O)[O-],NUCLEGMCMGNXJW-UHFFFAOYSA-N
rxn:5:194661:225943:225655,CC1CCN(c2cncc(-c3ccc4c(c3)CN(Cc3ccc(-c5ccc(C(=O)N6CCOCC6)s5)cc3)C(=O)CO4)c2)CC1,VDBLQQCXDOSLSS-UHFFFAOYSA-N
rxn:5:194733:225833:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,GOGHPSKMUJXTGX-UHFFFAOYSA-N
rxn:5:194733:226192:226900,Cc1ccccc1-c1csc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,PTNCYTGORYNOAA-UHFFFAOYSA-N
rxn:5:194733:226193:226901,Cc1ccc(-c2csc(-c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)c2)cc1,ITTFFAKDOGWACJ-UHFFFAOYSA-N
rxn:5:194733:228343:228491,COC(=O)c1sc(-c2ccc(-c3cn(C)c(=O)n(C)c3=O)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1C,RLQKNNQQKCJVSJ-UHFFFAOYSA-N
rxn:5:194733:229029:226901,Cc1cc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,GZPUHALPOXZHJC-UHFFFAOYSA-N
rxn:5:194767:223056:226679,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3-c3cnc(N4CCCC4)cc3F)C2)c2ccccc21,TZKBWXUKNCBRRB-UHFFFAOYSA-N
rxn:5:194767:225622:227348,COc1ccc(-c2ccc(-c3ccccc3OC3CCCCO3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c(C)c1OC,LKOKNFFPZFPYJA-UHFFFAOYSA-N
rxn:5:194767:225978:225976,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCOCC5)nc4F)ccc3-c3ccnc(N4CCOCC4)c3F)C2)c2ccccc21,UBTARLIKDLOSAT-UHFFFAOYSA-N
rxn:5:194767:226644:225833,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3ccnc(N4CCCCC4)c3F)C2)c2ccccc21,VFABPADWQNZCEU-UHFFFAOYSA-N
rxn:5:194767:227379:227376,O=C1OC2(CCCN(C(=O)c3cc(-c4cccnc4N4CCCC4)ccc3-c3cncc(N4CCCC4)c3)C2)c2ccccc21,AUMLWTUBZSUJHA-UHFFFAOYSA-N
rxn:5:194767:227544:227826,COC(=O)c1ccc(F)cc1-c1ccc(-c2cccc(C(C)(C)C)c2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,BDUZOLRNXBMPDD-UHFFFAOYSA-N
rxn:5:194791:223354:225435,CNC(=O)c1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5ccccc5CN5CCCCC5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,DJAGUWCXUUGEHT-UHFFFAOYSA-N
rxn:5:194791:226756:227845,COc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cccc6cnccc56)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1C(F)(F)F,IQFQUHCKHYWGJA-UHFFFAOYSA-N
rxn:5:194792:225588:222959,Cc1cc(-c2ccc(N3C(=O)C4C(c5ccc(-c6ccccc6CN6CCSCC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)ccc1C1CCNCC1,KTHJCUXCPVXDGL-UHFFFAOYSA-N
rxn:5:194792:228727:227912,COc1ncc(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C(C)OC)cc5)cc4)C(=O)C23)cc1,PZYCPFZVZLDBJY-UHFFFAOYSA-N
rxn:5:194792:228896:227692,COc1ncc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cccc([N+](=O)[O-])c6OC)cc5)C(=O)C34)cc2)cc1F,WFOQRHHAGHGPRS-UHFFFAOYSA-N
rxn:5:196198:226155:225871,CC(=O)c1cc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc(C2CC2)c1,CIVJEPSUEFSPGA-UHFFFAOYSA-N
rxn:5:196198:227386:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2cnn(C3CCCCC3)c2)c1,OGUNUIRFKAWWQF-UHFFFAOYSA-N
rxn:5:196408:223062:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2cnc(C3CCNCC3)cc2F)c1,SPPGVGXYXYOICZ-UHFFFAOYSA-N
rxn:5:196408:223062:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cnc(C3CCNCC3)cc2F)c1,VEBQWKTWAAHSQH-UHFFFAOYSA-N
rxn:5:196408:225636:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccnc(N3CCC(C)CC3)c2)c1,VRLLZZZYOGKKPW-UHFFFAOYSA-N
rxn:5:196533:222404:226901,O=C1NC(=O)C(c2ccc(-c3ccc(N4C(=O)CC(c5cccc(S(F)(F)(F)(F)F)c5)C4=O)cc3)cc2)N1,NIHOJFDJXRUTNV-UHFFFAOYSA-N
rxn:5:196533:225450:226739,CC(=O)c1ccc(C2CC(=O)N(c3ccc(-c4ccc(C(=O)C5CCCC5)cc4)cc3)C2=O)cc1[N+](=O)[O-],ZWPPXKCFSZBCEI-UHFFFAOYSA-N
rxn:5:196533:226046:226901,O=C1CC(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1c1ccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)cc1,FBZNKVAZNUHQBV-UHFFFAOYSA-N
rxn:5:196533:226899:225926,O=C1CC(c2ccc(S(=O)(=O)N3CCC3)cc2)C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,KMTKTLLFZUYVAD-UHFFFAOYSA-N
rxn:5:196618:225832:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1N1CCCC1=O,BREQLUIHHNIFHX-UHFFFAOYSA-N
rxn:5:196620:225833:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(N3CCCC3=O)c(-c3ccnc(N4CCCCC4)c3F)c2)c1,SRWUJKONXSBUNB-UHFFFAOYSA-N
rxn:5:196620:225976:225436,O=C1CCCN1c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1-c1ccnc(N2CCOCC2)c1F,FFXSINXMQNGWPH-UHFFFAOYSA-N
rxn:5:196789:223061:226583,O=C1COCCN1c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)s1,LTOMNDVNQMXEAJ-UHFFFAOYSA-N
rxn:5:196789:225450:225616,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3ccccc3C(=O)N3CCCC3)c2)cc1)C1CCCC1,LWSPYGAPOYSVLJ-UHFFFAOYSA-N
rxn:5:196789:225450:227103,O=C(c1ccc(-c2ccc(N3CCOCC3=O)c(-c3sccc3C3CCCCC3)c2)cc1)C1CCCC1,MIKKOFYWCMNRJI-UHFFFAOYSA-N
rxn:5:196789:225976:225655,CC1CCN(c2cncc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3N3CCOCC3=O)c2)CC1,LRFIILXVBCNRHD-UHFFFAOYSA-N
rxn:5:196790:225623:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCOCC2=O)c(-c2cccc(OC3CCOCC3)c2)c1,TWPMFXMUDOXADX-UHFFFAOYSA-N
rxn:5:196790:226837:226887,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccc(F)c(C(F)(F)F)c2F)ccc1N1CCOCC1=O,CLIOKOAFAAKKBC-UHFFFAOYSA-N
rxn:5:196792:226686:226665,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCCOC3)nc2)cc1N1CCOCC1=O,DYZKPKOUYYDXQP-UHFFFAOYSA-N
rxn:5:196793:226035:226331,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(N2CCOCC2=O)cc1-c1ccc(C2(C#N)CC2)cc1F,OEKMIRYKRQCGAT-UHFFFAOYSA-N
rxn:5:196916:225407:226901,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(C2CCCCCC2)cc1,UXVGXIPPAFGCHP-UHFFFAOYSA-N
rxn:5:196916:226186:225943,O=C(c1ccc(-c2ccc(N3CCCCC3=O)c(-c3ccccc3C3CCOCC3)c2)s1)N1CCOCC1,DAVRNBRNMAALCS-UHFFFAOYSA-N
rxn:5:196916:228199:225832,Cc1nn(C2CCC2)cc1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1N1CCCCC1=O,DXPYPIYKWUHSSB-UHFFFAOYSA-N
rxn:5:196917:225472:225988,CC1CCCCN1c1cccc(-c2ccc(-c3c(F)cc(C4OCCO4)cc3F)cc2C2=NC(C)(C)CO2)c1,NYNVUUZPGQMUQQ-UHFFFAOYSA-N
rxn:5:196917:226045:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c(C2=NC(C)(C)CO2)c1,LCXGVKYWYXNDIC-UHFFFAOYSA-N
rxn:5:196918:225507:227611,COC(=O)C1CCc2cc(-c3cccc(N4CCCCC4=O)c3-c3ccnn3C3CCCCO3)ccc21,XNHFATOAPHKWJK-UHFFFAOYSA-N
rxn:5:196923:226450:225618,CC1(c2cccc(-c3ccc(N4CCCCC4=O)cc3-c3cccc(OC4CCCCO4)c3)c2)OCCO1,VZBUNSDRGFUEEA-UHFFFAOYSA-N
rxn:5:197526:226980:225943,CC(=O)N1CC(=O)c2c1ccc(-c1cccc3c1C(=O)CCC3)c2-c1ccc(C(=O)N2CCOCC2)s1,FUQFLDTUGUBCSF-UHFFFAOYSA-N
rxn:5:197572:225832:226837,CC(=O)N1CCc2cc(-c3c(C)nn(C4CCCCO4)c3C)cc(-c3c(C)nn(CC(F)(F)F)c3C)c21,IZSQEDXQBGIVJU-UHFFFAOYSA-N
rxn:5:197572:226836:226837,CC(=O)N1CCc2cc(-c3cn(C(C)C)nc3C(F)(F)F)cc(-c3c(C)nn(CC(F)(F)F)c3C)c21,SQKOQPRLDWXLKF-UHFFFAOYSA-N
rxn:5:197876:226837:227205,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cccc3c1OCCCO3)C(=O)N(C(C)(C)C)S2(=O)=O,RMVMBLAQDRPYIW-UHFFFAOYSA-N
rxn:5:197876:226856:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)ncc1OC)S(=O)(=O)N(C(C)(C)C)C2=O,RJHYJTBULFWOQK-UHFFFAOYSA-N
rxn:5:197876:228199:228495,Cc1nn(C2CCC2)cc1-c1cc2c(cc1-c1ccn(CC(F)(F)F)n1)C(=O)N(C(C)(C)C)S2(=O)=O,FLKTUTUFXNMLST-UHFFFAOYSA-N
rxn:5:197876:229052:225819,CCCn1nccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,RPOZIWZWRHGKAF-UHFFFAOYSA-N
rxn:5:198495:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)c2c(c1)=NC(=O)C=2,UNFIAPLFDMTUNB-UHFFFAOYSA-N
rxn:4:173371:223944,COC(=O)c1cc(C(=O)OC)c(-c2c(C)c(Cl)cc3c2cnn3C2CCCCO2)c(C(=O)OC)c1,VZXDRLJBBZBORS-UHFFFAOYSA-N
rxn:4:173401:224360,COC(=O)c1ccc(-c2ccc(OC)c(C(C(=O)OC)C(=O)OC)c2)n1C(=O)OC(C)(C)C,QQZPWZXYFJNNIE-UHFFFAOYSA-N
rxn:4:173458:222803,COc1cc(C(OC)OC)c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c(OC)c1OC,FUMPBGROIFAXHI-UHFFFAOYSA-N
rxn:4:173508:225043,COc1cc(-c2ccc(OC3CCCCC3)c(F)c2)ccc1OCCOC1CCCCO1,ORBVHOQOTYXJMG-UHFFFAOYSA-N
rxn:4:173603:225110,COC(=O)c1c(C)oc2cc(-c3ccc(OC(=O)OC(C)(C)C)cc3)c(OC(C)C(=O)OC)cc12,SGRCGQCSPHWLBE-UHFFFAOYSA-N
rxn:4:173787:224249,COC(=O)c1cc(F)c(OCC(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1F,GOBZQXVWDYNNMV-UHFFFAOYSA-N
rxn:4:173860:223581,CCCOc1ccc(OC(F)(F)F)cc1-c1cc2cccc(C(=O)OC)c2n1C(=O)OC(C)(C)C,HDISYDBHUKKFEL-UHFFFAOYSA-N
rxn:4:174149:223595,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,CBLOUFKBAJUOQZ-UHFFFAOYSA-N
rxn:4:174159:222524,COC(=O)c1cc(F)c(OCC(C)C)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,RPKLCVZBKNPXFO-UHFFFAOYSA-N
rxn:4:174300:223532,CCCCCOc1cc(C)c(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,LIKOHKSJYBJNFQ-UHFFFAOYSA-N
rxn:4:174313:222541,CCOc1ccc(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)NCCN2CCCCC2)cc1,PBGHXQYKPQXQPW-UHFFFAOYSA-N
rxn:4:174372:224249,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,GEVIKVWWFUACOI-UHFFFAOYSA-N
rxn:4:174406:225359,COC(=O)C1(c2ccc(-c3cc(OC)c(OC)cc3C(F)(F)F)cc2)CC(OC)(OC)C1,RNICWAJNECHDPK-UHFFFAOYSA-N
rxn:4:174407:224865,COC(=O)C1(c2cccc(-c3ccc(CCN4CCCCC4)cc3)c2)CC(OC)(OC)C1,NBZNFJFRQZCAJZ-UHFFFAOYSA-N
rxn:4:174407:225205,COC(=O)C1(c2cccc(-c3cc(C4CC4)c(C(F)(F)F)cc3C)c2)CC(OC)(OC)C1,CXDILVNBMHYZGD-UHFFFAOYSA-N
rxn:4:174468:224552,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1cc(F)cc(COC2CCCCC2)c1,JQXZSDFXNNIYDN-UHFFFAOYSA-N
rxn:4:174468:224592,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1cc(C2(C#N)CCCCC2)ccc1F,HNSDGHOJZAAZSO-UHFFFAOYSA-N
rxn:4:174485:222513,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(S(=O)(=O)NC2CCCCC2)ccc1OC,SPFWLBDUAHFMDQ-UHFFFAOYSA-N
rxn:4:174663:224914,COc1c(-c2ccccc2)cccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,TYKAXMQXFFJFJI-JKUFBEDSSA-N
rxn:4:174663:225484,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc(-c3ccc(Cl)cc3)c2)cc1,UNBJYAYMIBCBLK-QNEAORKJSA-N
rxn:4:174663:225911,COC(=O)c1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(Cl)cc1OC,GJVIZVQZWNGGFN-PFOPOSTMSA-N
rxn:4:174663:228183,COCc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1Cl,HAGYRNOGWILBCJ-OUYRWIGOSA-N
rxn:4:174663:228284,Cn1cc2cc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cnc2n1,XPKSRGAYENNJRP-MWUKLDBESA-N
rxn:4:174663:228702,CC(C)c1ncncc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,VCDPYDOHQXFIJD-LWMYCZQRSA-N
rxn:4:174663:228865,CCOc1cnc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cn1,SPTLTRZWMXIARI-UAJPHTGBSA-N
rxn:4:174663:229217,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1,DDUCDDITRSHCDY-PDMYYMTQSA-N
rxn:4:174915:223474,CCC(=O)c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1OC(F)(F)F,WZVZSNYXVDQPFB-UHFFFAOYSA-N
rxn:4:175020:223533,CCOc1cc(C(=O)OC)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,BUIBMSXQUYTZAF-UHFFFAOYSA-N
rxn:4:175063:223635,CCOc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(=O)OC)cc1F,JAOQYFGIGVCKEQ-UHFFFAOYSA-N
rxn:4:175063:223651,CCOc1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(C(=O)OC)cc1F,REBOLKUOUPVLMK-UHFFFAOYSA-N
rxn:4:175352:222584,COC(=O)c1cc(F)cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1OC(C)C,NLWCEFBHQUTAFF-UHFFFAOYSA-N
rxn:4:175352:223998,COC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1OC(C)C,NTBULWWUDVCFIS-UHFFFAOYSA-N
rxn:4:175427:223810,COC(=O)c1ccc(OC2CCC2)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1,CNWPQVNUZYRCJF-UHFFFAOYSA-N
rxn:4:175729:224182,Cc1cc(-c2ccc(OCCC3OCCCO3)c(F)c2)ccc1OCCN1CCOCC1,MJIJJDFSSXWJTK-UHFFFAOYSA-N
rxn:4:175813:224022,CC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1,MQKDVLHLKLCBDD-UHFFFAOYSA-N
rxn:4:176091:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C,CMUHWQYZMJUIAX-UHFFFAOYSA-N
rxn:4:176119:223883,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc(-c2ccc(Cl)cc2F)c1,UFNDGROSIUHUSC-UHFFFAOYSA-N
rxn:4:176124:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccccc2OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)CC1,XAGZTTVZCVPJIM-UHFFFAOYSA-N
rxn:4:176215:223902,COCCOC1CCCOc2cc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)ccc21,IJRQTSNHSLOJRI-UHFFFAOYSA-N
rxn:4:176313:222741,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)ccc2C1=O,CJAPFIWQMJBQNR-UHFFFAOYSA-N
rxn:4:176317:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)c1,XJJRHAQGCUCCJJ-UHFFFAOYSA-N
rxn:4:176418:223520,CC(c1ccc(-c2cc(F)c(F)c(OCC(F)(F)F)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,STALXTIAQMESQT-UHFFFAOYSA-N
rxn:4:176929:223810,COC(=O)c1cc(F)c(F)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1OC,GEDQLTJIFQPETH-UHFFFAOYSA-N
rxn:4:177169:223660,COc1cc(OC)c(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,RYOGGJVCRGVMTK-UHFFFAOYSA-N
rxn:4:177737:223574,CC(C)(C)OC(=O)c1cc(Cl)ccc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,GFEZPSGWNVENPV-UHFFFAOYSA-N
rxn:4:177805:223531,CCCOc1cc(C)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c(C)c1,SLJKNUWYGOTVMW-UHFFFAOYSA-N
rxn:4:178184:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cc(OC(C)C)c(F)c(C4OCCO4)c3)cc2)CC1,OSJLYNNMUOVAEM-UHFFFAOYSA-N
rxn:4:178358:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4ccc(OC5CCCC5)cc4)cc3)cc2Cl)CC1,XCPFHFKTRXDRAP-UHFFFAOYSA-N
rxn:4:178598:222611,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)c1,DUIMOBWFENCSCB-UHFFFAOYSA-N
rxn:4:178598:223813,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)c1,LBDRQNUVCWORLC-UHFFFAOYSA-N
rxn:4:178598:224586,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2CN2CCC(C)CC2)c1,QTKYOSHNRFHYNL-UHFFFAOYSA-N
rxn:4:178598:224616,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccccc2OCCN2CCOCC2)c1,HBRHOOBWVHOSNH-UHFFFAOYSA-N
rxn:4:178598:225170,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(F)ccc2CN2CCOCC2)c1,XLKOHVLTVLPUEC-UHFFFAOYSA-N
rxn:4:179061:223506,COCc1c(F)cc(Cl)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VDKQORZFUXUPHI-UHFFFAOYSA-N
rxn:4:179653:225001,FC1CCCN(Cc2ccc(-c3cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c3)cc2)C1,FVTLOYDWUIRLHS-UHFFFAOYSA-N
rxn:4:179790:223522,C#CC1(c2cccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)CCC1,GRIYUMROGQEYIN-UHFFFAOYSA-N
rxn:4:180175:223533,CCC(C)(C)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,JTOKCVPBAAYXSB-UHFFFAOYSA-N
rxn:4:180390:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CC4)cc3C3CCCO3)cc2Cl)CC1,MBFYODURHPGVNF-UHFFFAOYSA-N
rxn:4:180438:223480,Cc1cc(-c2ccc(C3COCCO3)c(C3CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QKDAAGKPMOAHTH-UHFFFAOYSA-N
rxn:4:182083:224017,O=S1(=O)CCCN1c1ccc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)c(C(F)(F)F)c1,BPEIWVXEMXYICB-UZFIKNKDSA-N
rxn:4:182180:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc3c(c2)C(=O)C(C(F)(F)F)C3)cc1,PNPKVNLWHZFILN-UHFFFAOYSA-N
rxn:4:182376:222928,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cnc(N5CCC(O)CC5)nc4C)cc3C2=O)C[C@@H]1C,LMPBOZYWIFHYKX-GPNSRJIGSA-N
rxn:4:182396:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1,JKKLFOIKXVFXTN-NCIHLBOSSA-N
rxn:4:183249:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C3(CCC4)OCCO3)c(F)c2)CC1,IQWRBEACQAYANP-UHFFFAOYSA-N
rxn:4:183272:226265,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1C,YMELWDIAIBEBED-UHFFFAOYSA-N
rxn:4:183272:227038,COc1ccc(C(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GKTVYTFSLAWSPH-UHFFFAOYSA-N
rxn:4:183273:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MGNWWHVNCZLDCP-UHFFFAOYSA-N
rxn:4:183273:225390,CC(C)Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CC2)c1,PRKFFESEYUEYNC-UHFFFAOYSA-N
rxn:4:183273:226490,COCCOc1ccc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,GYLDNCJRLOJVAE-UHFFFAOYSA-N
rxn:4:183273:227564,COc1ccc(Cl)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1OC,RULRUWGQFWYPIO-UHFFFAOYSA-N
rxn:4:183274:227224,CCN(CC)c1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,IUAISNVPGFAOSF-UHFFFAOYSA-N
rxn:4:183482:224318,CCOC(=O)C(=O)Cc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cc1[N+](=O)[O-],AFXMZVIKTDCQKO-UHFFFAOYSA-N
rxn:4:183541:225294,CCOC(=O)Cc1cc(-c2cnc(N3CCN(CC)CC3)nc2)cc(C#N)c1C(F)(F)F,XGBVSIAEMUMULA-UHFFFAOYSA-N
rxn:4:183556:223506,CCOC(=O)Cc1c(C#N)ccc(OC)c1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,DXKCQVAEQGCDIS-UHFFFAOYSA-N
rxn:4:183624:222684,CCN(CC)C(=O)COc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1F,STKVFCJVZRNSTO-UHFFFAOYSA-N
rxn:4:183654:222616,COC(OC)c1cc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)cc(C(OC)OC)n1,MWBBGVZUQSYVAZ-UHFFFAOYSA-N
rxn:4:183723:222522,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc1S(=O)(=O)N1CCC(O)CC1,VIMCEOWXZIALQP-UHFFFAOYSA-N
rxn:4:183723:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCCC3)c2)CC1,YCMZDEDJIPGRRB-UHFFFAOYSA-N
rxn:4:183746:224817,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCOCC2)C1,GCKPNITVROEGRA-UHFFFAOYSA-N
rxn:4:183842:224616,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2ccccc2OCCN2CCOCC2)CCO1,MNSTUTBZOQJQBS-UHFFFAOYSA-N
rxn:4:183855:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N(Cc4cccc(F)c4)Cc4ccco4)cc3)c2)CC1,JWFSAXHDZMIODK-UHFFFAOYSA-N
rxn:4:183863:224586,COC(=O)CN1CCCC(COc2ccc(-c3cc(F)ccc3CN3CCC(C)CC3)cc2)C1,FMYGJZSMDIJBJI-UHFFFAOYSA-N
rxn:4:183873:226003,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2cc([N+](=O)[O-])ccc2C(=O)OC)c1,XMAXACQUSINRBA-UHFFFAOYSA-N
rxn:4:183876:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(Cl)ccc2OCC2CN(C(=O)OC(C)(C)C)C2)cc1Cl,YNMCMTLBODVTPM-UHFFFAOYSA-N
rxn:4:183878:223668,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)c2)C1,DCDFRKHQEDQGIA-UHFFFAOYSA-N
rxn:4:183878:223774,COc1cccc2c1cc(-c1cc(Cl)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,FBVNQJUZJWGENE-UHFFFAOYSA-N
rxn:4:183879:223888,CC(C)(C)OC(=O)N1CC(COc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2Cl)C1,OZMLSFWSNLFCIE-UHFFFAOYSA-N
rxn:4:183888:224010,CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1OC,DCKSXGKVJSKFKY-UHFFFAOYSA-N
rxn:4:183890:223492,Cc1cc(-c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ILQSHJYMMICIOP-UHFFFAOYSA-N
rxn:4:183934:224616,COC(=O)C1CCN(CCCc2ccccc2-c2ccccc2OCCN2CCOCC2)CC1,ZCJIUBJNAQYKQK-UHFFFAOYSA-N
rxn:4:183943:223492,Cc1cc(-c2ccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PEYLPZIAWDRSHU-UHFFFAOYSA-N
rxn:4:183997:226521,COc1cc(OC)c(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCC2)c(OC)c1,KXJDMTUIZUNSKK-UHFFFAOYSA-N
rxn:4:184001:227991,COC(=O)C1(c2ccc(-c3ccc(Cl)cc3C3CC3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,SPEZMRABYUXORG-UHFFFAOYSA-N
rxn:4:184001:228583,COC(=O)C1(c2ccc(-c3ccnc(C(C)C)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,MYLYEFLQOMACLY-UHFFFAOYSA-N
rxn:4:184006:225432,COc1ccc(C(=O)N(c2ccc(-c3cccc(COC4CCCC4)c3)cc2)C2C=CS(=O)(=O)C2)cc1OC,QQJQGYYUUOUGFZ-UHFFFAOYSA-N
rxn:4:184013:223759,COc1cc(COc2ccc(-c3ccc(COC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)cc(OC)c1,KFXYAJMCGDYVQF-UHFFFAOYSA-N
rxn:4:184013:223934,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)cc2)CC1,PKSPXJTVSZADPQ-UHFFFAOYSA-N
rxn:4:184022:223591,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,TXMWVTVISONNJK-UHFFFAOYSA-N
rxn:4:184024:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,WVZOOKIYBVHYPI-UHFFFAOYSA-N
rxn:4:184024:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(Cl)cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,MTRZUPFWOJARMS-UHFFFAOYSA-N
rxn:4:184026:223790,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)ccc2Cl)C1,XCDYPCYNTUQFPM-UHFFFAOYSA-N
rxn:4:184026:223931,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)ccc2Cl)C1,BORBFOSRHOKPQK-UHFFFAOYSA-N
rxn:4:184026:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,OTYNHKYFBSTRBD-UHFFFAOYSA-N
rxn:4:184027:222813,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1Cl,GBLSGBFZJXPWMJ-UHFFFAOYSA-N
rxn:4:184029:224775,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)c2F)CC1,AOKIFQWQYLOFCY-UHFFFAOYSA-N
rxn:4:184031:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,RWJCOBWTKNZGSY-UHFFFAOYSA-N
rxn:4:184031:224720,CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,LOJKEKUJAQEVQM-UHFFFAOYSA-N
rxn:4:184055:226421,COc1cc(-c2ccc(Cl)cc2N2CCCC2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,PLQWEGNEPHQVBB-UHFFFAOYSA-N
rxn:4:184056:223562,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,DRIIUENWSLVYPJ-UHFFFAOYSA-N
rxn:4:184092:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(CN(C(=O)c4ccc(C(C)(C)C)cc4)C4CCS(=O)(=O)C4)o3)c2)CC1,PMOLCYOUPURRIK-UHFFFAOYSA-N
rxn:4:184095:223521,CC(c1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,MNSWPCXADSCCMO-NPRFROTHSA-N
rxn:4:184216:224372,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)c3ccccc3c2)CC1,ZCAHROOOARPFRE-UHFFFAOYSA-N
rxn:4:184525:223671,COC(=O)Cc1cc(OC)c(C#N)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,LIOGEBUNBIJSHJ-UHFFFAOYSA-N
rxn:4:184614:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N(C)OC)c(OC(F)(F)F)c1,AWIMZNUNQZCWEE-UHFFFAOYSA-N
rxn:4:184766:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1c(OC)cc(C(=O)N(C)OC)cc1OC,ZBZGOFVKTJREPS-UHFFFAOYSA-N
rxn:4:184818:222389,CCN(CC)CCc1ccc(F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,GDGUHURNLUQPQQ-UHFFFAOYSA-N
rxn:4:184864:223602,COC(=O)C(c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1OC)N(C)C,VNHRJCWQMDTSHH-UHFFFAOYSA-N
rxn:4:184894:224760,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)SC1=S,UXKYZMHNRCADPL-UHFFFAOYSA-N
rxn:4:184954:224490,Clc1ccc(OCCCN2CCOCC2)c(-c2ccccc2OCCN2CCCCC2)c1,XGBYHXNQGIAYMJ-UHFFFAOYSA-N
rxn:4:185025:223652,COc1ccc(Cl)c2cc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)n(C(=O)OC(C)(C)C)c12,NHTNHOSCIPCXDH-UHFFFAOYSA-N
rxn:4:185086:222524,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)ccc1OCCCN1CCOCC1,DPRSZKAJSGZFIJ-UHFFFAOYSA-N
rxn:4:185093:223902,CC1CCN(CCOc2ccc(-c3ccccc3OCCCN3CCOC(C)C3)cc2F)CC1,QCBBYPRTFKRNTF-UHFFFAOYSA-N
rxn:4:185097:225515,COC1CCN(CCOc2c(F)cc(Cl)cc2-c2cccc3c2OCC(C)(C)CO3)CC1,JXHOOQYZDIRSKZ-UHFFFAOYSA-N
rxn:4:185108:224760,O=S(=O)(c1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)cc1)N1CCCCC1,RRAUMXZGBMNXEP-UHFFFAOYSA-N
rxn:4:185138:224481,COC(=O)C1CCN(CCc2cc(-c3ccc(OCCCN4CCCC4)cc3)ccc2F)CC1,SOSXLCZLQBPQOH-UHFFFAOYSA-N
rxn:4:185145:222612,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cc2)C1,MOMRPSKFQWMOTD-UHFFFAOYSA-N
rxn:4:185145:223981,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)cc3)cc2)C1,XXXOJFQYSIJDAC-UHFFFAOYSA-N
rxn:4:185149:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,GHLKPPXKBXOGIY-UHFFFAOYSA-N
rxn:4:185154:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)OC)c(CN4CCCC(C(F)(F)F)C4)c3)cc2F)CC1,YPDPTCQTGGBBIY-UHFFFAOYSA-N
rxn:4:185162:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(F)(F)F)cc2C2CN(C(=O)OC(C)(C)C)C2)CC1,PUSBRSACRQJIMZ-UHFFFAOYSA-N
rxn:4:185165:222457,CC(C)(C)OC(=O)N1CC(c2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2C(F)(F)F)C1,IGSXIBSBDSINOT-UHFFFAOYSA-N
rxn:4:185165:223989,CC(C)(C)OC(=O)N1CC(c2cc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)ccc2C(F)(F)F)C1,GWPKUDGWMUWGSW-UHFFFAOYSA-N
rxn:4:185197:223683,Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,LQKYHXNOFUIZFY-UHFFFAOYSA-N
rxn:4:185198:224702,COC(=O)c1cc(-c2cc(F)c(OC3CCCC3)c(F)c2C)ccc1CN1CCC(OC)CC1,GBMWOXBDVWTKSF-UHFFFAOYSA-N
rxn:4:185199:222869,COC(=O)c1cc(CN2CCC(OC)CC2)cc(-c2ccc(F)c(C(=O)NCC(C)C)c2)c1,ZDMUWZWZJKDEHO-UHFFFAOYSA-N
rxn:4:185201:223528,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,RNKZPTYUUYALFW-UHFFFAOYSA-N
rxn:4:185201:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2OC)c(Cl)c1,ULTPJAOBBSGXSO-UHFFFAOYSA-N
rxn:4:185203:225232,COc1ccc(-c2cnc(Cl)c(N3CCC(C)CC3)c2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,ORQRAPUTSOLFKV-UHFFFAOYSA-N
rxn:4:185204:223940,COc1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,LVMYQYQWOPQXDH-UHFFFAOYSA-N
rxn:4:185260:226021,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(Cl)ccc3OCC(F)(F)F)cc2)C1,XSFMRSBIYBMIKH-UHFFFAOYSA-N
rxn:4:185309:223490,Cc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SCAWLBYIPFCZPG-UHFFFAOYSA-N
rxn:4:185309:223534,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)c2)CC1,PULFXURQMMCCPY-UHFFFAOYSA-N
rxn:4:185309:223650,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ACRPWLKCRKEKSS-UHFFFAOYSA-N
rxn:4:185309:223937,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,PKBBHZSXBJDTMS-UHFFFAOYSA-N
rxn:4:185309:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,ZNUXTJJLVNYKCE-UHFFFAOYSA-N
rxn:4:185313:223594,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IFZRUZCJHWDOJY-UHFFFAOYSA-N
rxn:4:185315:223932,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)ccc2C2CC2)C1,BELARWXDYGFHNE-UHFFFAOYSA-N
rxn:4:185318:223818,CC(C)(C)OC(=O)N1CC(c2cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cc(C3CC3)c2)C1,DXOKKTKVIPVTMG-UHFFFAOYSA-N
rxn:4:185323:223652,COc1ccc(Cl)c2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)n(C(=O)OC(C)(C)C)c12,YAFRSYWLMBSXHJ-UHFFFAOYSA-N
rxn:4:185352:225716,COCCOCc1cc(F)ccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,CMAISJVYDQVEHN-UHFFFAOYSA-N
rxn:4:185354:222457,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1,YRXXKRGHYVFVLC-UHFFFAOYSA-N
rxn:4:185355:222947,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cnc(N4CCCC(O)C4)nc3Cl)c2)CC1,JPSYASIRCSYUAV-UHFFFAOYSA-N
rxn:4:185355:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,IWVXVICBZNXCLQ-UHFFFAOYSA-N
rxn:4:185371:225294,CCN1CCN(c2ncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,UWUUUENGHUOYLP-UHFFFAOYSA-N
rxn:4:185375:226652,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)n(C2CCCCO2)n1,GVGBWKDNGUSEDP-UHFFFAOYSA-N
rxn:4:185377:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)CC1,HDASPXADGVFIQL-UHFFFAOYSA-N
rxn:4:185377:223975,CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc2)CC1,YSDOYUYLABFCTI-UHFFFAOYSA-N
rxn:4:185381:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,GCNVLGYCNDRPTI-UHFFFAOYSA-N
rxn:4:185381:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c3)cc2)C1,KYQXZQQJSKVODS-UHFFFAOYSA-N
rxn:4:185381:226421,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(Cl)cc3N3CCCC3)cc(C(F)(F)F)c2)C1,ZINWNFLNBLYBSZ-UHFFFAOYSA-N
rxn:4:185382:224726,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,GNPVJJCAMGOUFU-UHFFFAOYSA-N
rxn:4:185383:224557,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccccc3OCc3ccccc3F)cc(C(F)(F)F)c2)CC1,QPLVPIQTTXUBQV-UHFFFAOYSA-N
rxn:4:185383:225877,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3N3CCOCC3)cc(C(F)(F)F)c2)CC1,VUQMUDJSGRUYHA-UHFFFAOYSA-N
rxn:4:185383:228583,CC(C)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)ccn1,DDBCJLAPJKDNEP-UHFFFAOYSA-N
rxn:4:185386:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)cc21,YYTGEGGMJIMZPY-UHFFFAOYSA-N
rxn:4:185386:224604,Cc1nc2cc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)c(F)cc2n1C(C)(C)C,UJRHNMSSJYOQMN-UHFFFAOYSA-N
rxn:4:185388:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)cn2)CC1,NTAQMNJXKNXOEP-UHFFFAOYSA-N
rxn:4:185409:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)C4)c3)ccn2)CC1,CZTICBLKFLOYBK-UHFFFAOYSA-N
rxn:4:185410:222702,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c(C3CC3)c2)C1,AGARFCPOCNDTRG-UHFFFAOYSA-N
rxn:4:185419:223490,Cc1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2C2CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XPEIEFULHHGUKP-UHFFFAOYSA-N
rxn:4:185439:227549,COC(=O)c1cc(Cl)ccc1-c1cc(C2CC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,KBMJNYZMFDYFRR-UHFFFAOYSA-N
rxn:4:185442:224720,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc(C2COC2)c1,WUCZIKCRDZXORS-UHFFFAOYSA-N
rxn:4:185522:226464,COc1ccc2c(c1-c1cc3c(c(OC(C)=O)c1)N(C(=O)OC(C)(C)C)CCO3)OCCO2,NVIQVWANGLPJDJ-UHFFFAOYSA-N
rxn:4:185545:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4cc(OC5CN(C(=O)OC(C)(C)C)C5)ccc4c3)cc2F)CC1,BSELUOBNWBYESW-UHFFFAOYSA-N
rxn:4:186087:223696,CON=CCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,DGXDIUILMBJNNY-UHFFFAOYSA-N
rxn:4:186327:223536,CCOC(=O)c1cnc(C2CC2)cc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,WSRYHVHVGURWRS-UHFFFAOYSA-N
rxn:4:186541:224685,O=C1CCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3C(=O)ON3C(=O)CCC3=O)c2)CC1,FWZBJFMIVUIAND-UHFFFAOYSA-N
rxn:4:186547:223531,CCN(CC)Cc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,AOLVQFIRJSMKIG-UHFFFAOYSA-N
rxn:4:186610:223649,CN(Cc1ccc(F)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C(=O)C1CC1,GFZMMUBOSOKPLB-UHFFFAOYSA-N
rxn:4:186658:224751,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(F)c(C(=O)N2CCOCC2)c1,QZYCBKBGTYEOCO-UHFFFAOYSA-N
rxn:4:186658:224767,COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cccc(C(=O)N2CCOCC2)c1F,LXIHFXOLYIJJSI-UHFFFAOYSA-N
rxn:4:186659:224819,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,MDQIYDBOWYRGDI-UHFFFAOYSA-N
rxn:4:186660:225832,COc1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C(=O)ON1C(=O)CCC1=O,CDKRUZCHKSEXDX-UHFFFAOYSA-N
rxn:4:186992:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccccc1S(=O)(=O)CC(=O)N1CCOCC1,JIYLAFGQONKDKZ-UHFFFAOYSA-N
rxn:4:186999:224685,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C(=O)N3CCC(=O)CC3)c2)c1,PAPRDAUOCLEBTQ-UHFFFAOYSA-N
rxn:4:187011:224904,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3ccc(C(=O)C4CCCCC4)cc3)cc2F)C1=O,FDYFDMOWKPNQJG-QHCPKHFHSA-N
rxn:4:187071:224684,O=C1CCN(C(=O)c2ccc(-c3ccc(OC4CN(C(=O)C5CCC5)C4)cc3)cc2)CC1,ZZTQPDZPEHJFGI-UHFFFAOYSA-N
rxn:4:187074:224590,COC(=O)c1ccc(-c2ccc(CN3CCC(C)CC3)cc2F)cc1CN1CCOCC1,PUWKQSICEJQPDW-UHFFFAOYSA-N
rxn:4:187204:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)c(F)c2)CC1,HQPNMRWKKIYQSG-UHFFFAOYSA-N
rxn:4:187219:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(F)c(C2CN(C(=O)OC(C)(C)C)C2)c1,BHGPWEYRDIOMNP-UHFFFAOYSA-N
rxn:4:187219:225899,Cc1cc(-c2ccc(F)c(C3CN(C(=O)OC(C)(C)C)C3)c2)n(C(=O)OC(C)(C)C)n1,HDWQGROUBIBZEG-UHFFFAOYSA-N
rxn:4:187250:225769,COC(=O)c1ccc(-c2cc(OCC3CC3)c(F)cc2F)c(CN2CCCC(F)(F)C2)c1,GQWAYCOGZASUDE-UHFFFAOYSA-N
rxn:4:187304:224482,COC1CCN(CCc2cc(-c3cccc(OCCCN4CCCC4)c3)ccc2F)CC1,VBMHOWASEGEAGJ-UHFFFAOYSA-N
rxn:4:187305:224494,COC1CCN(CCc2ccc(F)c(-c3ccc(CCOC4CCCCO4)cc3)c2)CC1,PEBFZFOOGUQNNQ-UHFFFAOYSA-N
rxn:4:187327:225993,COC(=O)c1ccc(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],WQCLXLRFOVLPLF-GOSISDBHSA-N
rxn:4:187359:222700,COC(OC)C1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)CC1,BEUHEZSRAKMWCD-UHFFFAOYSA-N
rxn:4:187359:223926,COC(OC)C1CCN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)CC1,WBWOGNHLRNCNJH-UHFFFAOYSA-N
rxn:4:187373:222846,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1cc(C2CCCNC2)ccc1C#N,PZJHRMMVJHNWDK-UHFFFAOYSA-N
rxn:4:187405:223954,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCC(=O)CC2)c(F)c1,HQHUOMZSNICWPF-UHFFFAOYSA-N
rxn:4:187413:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)cc1,FFSORYCOHRVNCK-UHFFFAOYSA-N
rxn:4:187421:223575,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,JBCNQHWEAHHUTC-UHFFFAOYSA-N
rxn:4:187421:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C)c(C(F)(F)F)c1,KNRQMADJRAZZJA-UHFFFAOYSA-N
rxn:4:187438:223670,Cc1cc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,SAZOLVOWHCBBON-UHFFFAOYSA-N
rxn:4:187439:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)co2)CC1,DRFUIPQIGIMLFP-UHFFFAOYSA-N
rxn:4:187445:226714,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2F)C1,MHKBVCMQUXRZAN-UHFFFAOYSA-N
rxn:4:187488:222622,CCOc1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,CREORGUANYYOEI-UHFFFAOYSA-N
rxn:4:187488:223981,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,WPGBANVVOILMBX-UHFFFAOYSA-N
rxn:4:187492:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2C1,KKQPVKGEHVENNU-UHFFFAOYSA-N
rxn:4:187494:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1,AMZIWHXEHGYBMM-UHFFFAOYSA-N
rxn:4:187505:223005,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(C4CCNCC4)c(Cl)c3)cc2Cl)C1,JOOHYVCNILSNOH-UHFFFAOYSA-N
rxn:4:187539:224325,C[Si](C)(C)N(Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1)[Si](C)(C)C,BUZWINGYIQVWPF-UHFFFAOYSA-N
rxn:4:187542:224182,COc1cc(-c2ccc(OCCN3CCOCC3)c(C)c2)cc(OC)c1CN1CCC(C)CC1,KGKLENLVPOOOHG-UHFFFAOYSA-N
rxn:4:187564:223539,COc1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(Oc3ccccc3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CJTOKOZCDUWGQQ-UHFFFAOYSA-N
rxn:4:187570:225569,COC(=O)c1cc(-c2c(C)cc(OCC(=O)N3CCC(C)CC3)cc2C)ccc1C1CC1,LKZIKKCYRQJQBP-UHFFFAOYSA-N
rxn:4:187573:223594,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,MPCDGOFKACLEHS-UHFFFAOYSA-N
rxn:4:187573:223935,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)c2)CC1,QIUVXOFAFZYCNE-UHFFFAOYSA-N
rxn:4:187573:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,OYYJHJRUSGCYPF-UHFFFAOYSA-N
rxn:4:187578:223502,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,WGILHQNTARCDCI-UHFFFAOYSA-N
rxn:4:187578:225798,Cc1cc(-c2ccc(OC3CCOCC3)nc2)ccc1C1CCN(C(=O)OC(C)(C)C)C1,GIDBSAFRLZFKBG-UHFFFAOYSA-N
rxn:4:187581:223501,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)co1,OAKWAPROQZGYLC-UHFFFAOYSA-N
rxn:4:187587:222802,Cc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c(S(=O)(=O)NC(C)(C)C)c1,ZSLKTDZORRUMHQ-UHFFFAOYSA-N
rxn:4:187589:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)C1,OSWLEDUYTMCTRZ-UHFFFAOYSA-N
rxn:4:187592:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1,IJPDTTAKMJFAGG-UHFFFAOYSA-N
rxn:4:187595:224081,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)c2)CC1,NCVYDGYDUNPXJD-UHFFFAOYSA-N
rxn:4:187596:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,SRUCBWWYLVGOKR-UHFFFAOYSA-N
rxn:4:187623:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cccc(OC(C)C)c1CN1CCCCC1C,OOGACNCFYNELIE-UHFFFAOYSA-N
rxn:4:187625:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccc(OC(C)C)c1CN1CCC(C)CC1,MZNKHVOQKJQMHK-UHFFFAOYSA-N
rxn:4:187631:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)cc1,FGYMDDLFVSYVRS-UHFFFAOYSA-N
rxn:4:187668:223935,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc3cccc(F)c3n2C(=O)OC(C)(C)C)cc1,URSAJYICGVHGCZ-UHFFFAOYSA-N
rxn:4:187681:223975,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,AJHKZTQQKQAKEV-UHFFFAOYSA-N
rxn:4:187695:223759,COc1cc(COc2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)cc(OC)c1,KFCYKDQZKKZQOL-UHFFFAOYSA-N
rxn:4:187826:223951,COC(=O)c1cc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)cc2c1ccn2CC1CCC1,PZSSNOBCORLGAO-UHFFFAOYSA-N
rxn:4:187927:223542,COC(=O)Cn1c(-c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2C)c(C)c2cc(Cl)c(F)cc21,RZDARJXEWXQSND-UHFFFAOYSA-N
rxn:4:187927:223842,COC(=O)Cn1c(-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2C)c(C)c2cc(Cl)c(F)cc21,RZZKMNGGROZLJH-UHFFFAOYSA-N
rxn:4:187944:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)c2)CC1,XADIXHNEQSSUCU-UHFFFAOYSA-N
rxn:4:187944:225187,Clc1ccc(CN2CCOCC2)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,HWYGFUJNGJYHOF-UHFFFAOYSA-N
rxn:4:188146:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(F)c(OCC(F)(F)F)c3)cc2Cl)CC1,IYOZDLFUYWLBIA-UHFFFAOYSA-N
rxn:4:188428:223696,COC(=O)c1ccc([N+](=O)[O-])c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,UORWALULWUPBJL-UHFFFAOYSA-N
rxn:4:188633:223598,COC(=O)c1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnc(OC)c1Cl,VWLWDSOBHKDMOD-UHFFFAOYSA-N
rxn:4:188730:223696,CC(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],SNAGQBYOVPWPRY-UHFFFAOYSA-N
rxn:4:189213:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1F,JOIIGBRBXAVDRB-UHFFFAOYSA-N
rxn:4:189602:224375,Cc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,HZKSKWWORRNKKW-UHFFFAOYSA-N
rxn:4:189766:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)CC1,UDIDPMNEWMHGQF-UHFFFAOYSA-N
rxn:4:189766:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3C(F)(F)F)ccc21,CDPFLGBRXXFEOS-UHFFFAOYSA-N
rxn:4:189791:223929,COc1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1S(=N)(=O)C1CCC1,GLDWSTJQVVGVTI-UHFFFAOYSA-N
rxn:4:189916:224394,Cc1ccc(-c2ccc(C(=O)C(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1,NOZWGZDXTGKEBG-UHFFFAOYSA-N
rxn:4:189924:224375,COc1ccc(C(=O)N2CCOCC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1,DGMFNSHEVQQSKL-UHFFFAOYSA-N
rxn:4:190017:224592,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2(C#N)CCCCC2)ccc1F,VJDIMARTJIJCGE-UHFFFAOYSA-N
rxn:4:190136:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C4CCN(CC(F)(F)F)CC4)cc3)cc2)CC1,FONXMYALCFZPJN-UHFFFAOYSA-N
rxn:4:190140:224291,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1ccc(OCCN2CCOCC2)c(F)c1,GKXANZSZDYGACJ-UHFFFAOYSA-N
rxn:4:190224:222826,CS(=O)(=O)c1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)ccc1CN1CCOCC1,ADJIULJDSRFWFG-UHFFFAOYSA-N
rxn:4:190238:225754,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(OC)CC3)c(F)cc2F)c(C2CC2)cn1,DQJIUIXRYOAYCM-UHFFFAOYSA-N
rxn:4:190261:222540,COc1cc(OC2CCN(C)CC2)ccc1-c1cccc(C(=O)NCCN2CCCCC2)c1,PPQVUAOEPGRSRY-UHFFFAOYSA-N
rxn:4:190264:222524,CC1CCN(C(=O)Cc2ccc(Cl)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2)CC1,WMMKZYAKLQINJE-UHFFFAOYSA-N
rxn:4:190264:223901,CC1CCN(CCOc2ccc(-c3cc(CC(=O)N4CCC(C)CC4)ccc3Cl)cc2Cl)CC1,PPPDPKKFEITNRN-UHFFFAOYSA-N
rxn:4:190264:223998,CC1CCN(C(=O)Cc2ccc(Cl)c(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)CC1,LPFAWBNJJKIHPD-UHFFFAOYSA-N
rxn:4:190372:222604,COc1ccc(-c2cc(C)cc(CN3CCC(OC)CC3)c2)cc1S(=O)(=O)NC1CCCC1,VDFASWASRNDCMW-UHFFFAOYSA-N
rxn:4:190379:225061,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(N2CCC(C)CC2)cc1F,ASKDHIQPSQEZLW-UHFFFAOYSA-N
rxn:4:190408:223520,CC(c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2[N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)CC1,PFCOWJRPTMUJBT-UHFFFAOYSA-N
rxn:4:190443:224180,COc1cc(C)c(-c2ccccc2OCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1C,CFDGSRNQNDEFQN-UHFFFAOYSA-N
rxn:4:190443:225200,COc1cc(C)c(-c2ccc(F)c(OC3CCCC3)c2F)cc1S(=O)(=O)N1CCCCC1C,HGYLMJPDOUMSAE-UHFFFAOYSA-N
rxn:4:190465:222722,O=S(=O)(c1cccc(-c2ccc(S(=O)(=O)N3CCSC(c4ccccc4)CC3)cc2)c1)N1CCC(O)CC1,YYQKFWWEVSSUPJ-UHFFFAOYSA-N
rxn:4:190931:224963,CC(C)(C)OC(=O)N1CCC(=O)c2cc(-c3cccc(COC4CCOCC4)c3)ccc21,UYFZQUUPAXQNGJ-UHFFFAOYSA-N
rxn:4:190933:223823,CC1c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2C(=O)N1C(=O)OC(C)(C)C,FJEZFRCPHMANBR-UHFFFAOYSA-N
rxn:4:191043:222927,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4cnc(N5CCCCC5O)nc4C)ccc3C2=O)CC1,XOGVFMYYMBGYSP-FFGLONOLSA-N
rxn:4:191043:224712,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccc(C(OC(C)=O)OC(C)=O)cc4)ccc3C2=O)CC1,RIWAJVJEYLRZGA-UILWBTOOSA-N
rxn:4:191043:224817,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccccc4S(=O)(=O)N4CCOCC4)ccc3C2=O)CC1,MLVPDULIWCRAFI-XGAFWQRZSA-N
rxn:4:191104:223006,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3ccc(F)c(C4CCNCC4)c3)cc12,WHGAXZNCLCDKHX-UHFFFAOYSA-N
rxn:4:191117:226714,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccnn3C(=O)OC(C)(C)C)c12,PVSCFKVUXNUAMC-UHFFFAOYSA-N
rxn:4:191120:225312,CN1CCCN(c2ncc(-c3cc4c(cc3F)CC3(CCN(C(=O)OC(C)(C)C)CC3)C4=O)cn2)CC1,PQQZZBOVLGLIOF-UHFFFAOYSA-N
rxn:4:191121:228280,COc1cc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c(C)cc1Cl,GUUIQAOQFVWOOC-UHFFFAOYSA-N
rxn:4:191147:223522,COCCn1c2c(c3cc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)ccc31)CCCC2,OOCQPEFHJFLQPR-UHFFFAOYSA-N
rxn:4:191206:225513,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4ccc5c(Cl)c(OC)ccc5c4)c3)C3=C(CCCC3=O)N1CC2,KHHBVNLGWOSFCG-UHFFFAOYSA-N
rxn:4:191894:223500,CCC(=O)c1cncc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,IZGRPZDRRCFIEJ-UHFFFAOYSA-N
rxn:4:192710:223539,COc1ccc(-c2ccc(CN3CCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ADKBSIQNVVLMIV-UHFFFAOYSA-N
rxn:4:193184:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(C(=O)N3CCOCC3)cc2)c1,IXBWCJYGQXBRMQ-UHFFFAOYSA-N
rxn:4:193345:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(CN4CCOCC4)c3)s2)CC1,HDKCFHASLMPCRQ-UHFFFAOYSA-N
rxn:4:193369:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C(F)F)ccc1N1CCOCC1,DYVVNUZTWCPBQY-UHFFFAOYSA-N
rxn:4:193382:222629,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(Cl)c2)cc(C2CCCNC2)n1,VDUJBSSERWTROG-UHFFFAOYSA-N
rxn:4:193499:224375,O=C1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c2)CC1,JMSITAPPGHSYPU-UHFFFAOYSA-N
rxn:4:193560:223697,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1,WHQXJCMOBGUGHJ-UHFFFAOYSA-N
rxn:4:193631:224406,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,ITHDWOILFCXMNG-UHFFFAOYSA-N
rxn:4:193632:222803,O=S(=O)(c1ccc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,GSEVVVMJLJOGEN-UHFFFAOYSA-N
rxn:4:193687:224321,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,NMOUQYXBVUMNBB-UHFFFAOYSA-N
rxn:4:193733:223813,CC(C)(C)[C@H]1COC(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2)=N1,FFPVHUPKGJKENE-XMMPIXPASA-N
rxn:4:193738:223883,C[C@@H](c1cccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1)N1CCC(=O)CC1,OVLFWAGGIJSNFB-IBGZPJMESA-N
rxn:4:193754:222542,Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)c2Cl)cc1OCCCN1CCNCC1,IWRRLEKCUREZIQ-UHFFFAOYSA-N
rxn:4:193773:223696,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCC2(CC1)CO2,OWLOBCZBXJPGEI-UHFFFAOYSA-N
rxn:4:193837:224120,Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C)ccc1CO[Si](C)(C)C(C)(C)C,DXYAJHQVQVCAAK-UHFFFAOYSA-N
rxn:4:193839:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)c2)CC1,YCAXCCKJCIJSSG-UHFFFAOYSA-N
rxn:4:193839:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc(F)c1F,IXYBPFTZTSURSQ-UHFFFAOYSA-N
rxn:4:193839:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)c2)C1,SDIYIEBLYDKYHK-UHFFFAOYSA-N
rxn:4:193888:224398,Cc1cc(-c2cc(S(=O)(=O)N3CCCC3)c(C)cc2F)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,NVVZXWVIMUMSEC-UHFFFAOYSA-N
rxn:4:193937:225899,Cc1cc(-c2ccccc2C(=O)N2CCC3(CC2)OCCS3)n(C(=O)OC(C)(C)C)n1,XZWUBECQWAPROK-UHFFFAOYSA-N
rxn:4:193959:224773,Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,VIFMJFHPCIVFDX-UHFFFAOYSA-N
rxn:4:193999:222537,Cc1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,JOQPHBSUYYXXOQ-UHFFFAOYSA-N
rxn:4:194561:222711,COc1ccc(-c2ccc(Cl)c(C(=O)N3C4CCC3COC4)c2)cc1S(=O)(=O)NC(C)(C)C,PLWGSIXGHSISHL-UHFFFAOYSA-N
rxn:4:194729:223508,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc4c(c3)CN(CC3CCOCC3)CC4)cn2)CC1,SJJLQHISCUDFAZ-UHFFFAOYSA-N
rxn:4:194730:224194,CCN1CCN(Cc2ccc(-c3ccc4c(c3)CCC4N3CCC(OC)CC3)cc2Cl)CC1,ZSSZWAMETWHMKM-UHFFFAOYSA-N
rxn:4:194730:224195,CCN1CCN(Cc2cc(-c3ccc4c(c3)CCC4N3CCC(OC)CC3)ccc2Cl)CC1,MBJOFBOLLIQOOZ-UHFFFAOYSA-N
rxn:4:194730:224650,COC1CCN(C2CCc3cc(-c4cc(F)ccc4OCC4CCOCC4)ccc32)CC1,UPKMEYQUBKBMJU-UHFFFAOYSA-N
rxn:4:194731:224009,COc1ccc(-c2ccc3c(c2)C(N2CCC(OC)CC2)CC3)cc1S(=O)(=O)N1CCOCC1,YZZKWOUNALIRMC-UHFFFAOYSA-N
rxn:4:194731:224194,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(N3CCC(OC)CC3)CC4)cc2Cl)CC1,JXWQRQRRUMOACE-UHFFFAOYSA-N
rxn:4:194731:224195,CCN1CCN(Cc2cc(-c3ccc4c(c3)C(N3CCC(OC)CC3)CC4)ccc2Cl)CC1,DLZVOJBRDJJWOZ-UHFFFAOYSA-N
rxn:4:194731:224197,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(N3CCC(OC)CC3)CC4)cc2F)CC1,CPYVOTOXFZPUGA-UHFFFAOYSA-N
rxn:4:194748:222777,OC1CCN(Cc2ccc(-c3ccc([C@@]45C[C@@H]4CN(C4CCOCC4)C5)cc3)cc2Cl)CC1,GPRISSBLRTYFEE-YWEHKCAJSA-N
rxn:4:194757:223759,COc1cc(COc2ccc(-c3ccc4c(c3)CCCC4N3CCCC(C(F)(F)F)C3)cc2)cc(OC)c1,STGZTTOAWXAVQI-UHFFFAOYSA-N
rxn:4:194768:224648,COC1CCN(C2CCCc3cc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)ccc32)CC1,RNLSVFZMLDDRHS-UHFFFAOYSA-N
rxn:4:194768:224878,COC1CCN(C2CCCc3cc(-c4ccccc4COC4CCCCC4)ccc32)CC1,PQEJEQPPXXUSNX-UHFFFAOYSA-N
rxn:4:195616:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)c(C)c([N+](=O)[O-])c1,USOVVUGELUUTIZ-UHFFFAOYSA-N
rxn:4:196467:223903,CN1C(=O)C(=Cc2ccc(-c3ccccc3CCC(=O)N3CCC(=O)CC3)o2)SC1=S,GBGOEEIDSPCLTH-UHFFFAOYSA-N
rxn:4:196825:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccnc(C4CCSCC4)c3)c2)CC1,ZUZVKRPUJAZTRP-UHFFFAOYSA-N
rxn:4:197490:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C34CC(C3)C4)nc2)CC1,LKTSBLKXPGDBAW-UHFFFAOYSA-N
rxn:4:197963:223697,C[C@H]1CC[C@H](N2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)ccc3C2=O)CC1,ZEQQHBVFKAPYOJ-XGAFWQRZSA-N
rxn:4:197973:224373,COc1ccc(-c2cccc3c2CCC3N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1,LDXISQGFVGMVPY-UHFFFAOYSA-N
rxn:4:197978:224291,Fc1cc(-c2ccc3c(c2)CCCC3N2CCCC(F)(F)C2)ccc1OCCN1CCOCC1,PQQZGSVVUQCBAW-UHFFFAOYSA-N
rxn:4:197986:224193,CCN1CCN(Cc2cc(-c3cccc4c3CCCC4N3CCCCC3C)ccc2F)CC1,GBIYYIMTFHZEPK-UHFFFAOYSA-N
rxn:4:198848:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4c(s3)CS(=O)(=O)CC4)c(Cl)c2)CC1,ZPHCANDBUOOGNP-UHFFFAOYSA-N
rxn:4:199557:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,BFDNTHZDVGFSTF-UHFFFAOYSA-N
rxn:4:199557:223933,CC(C)(C)OC(=O)N1CC(Oc2cc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)ccc2C#N)C1,PJJPCKXTGLPGSY-UHFFFAOYSA-N
rxn:4:199557:225829,CC1CCN(c2ncc(-c3ccc(C#N)c(OC4CN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,KBYRMULWSILJAH-UHFFFAOYSA-N
rxn:4:199584:223579,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)c3)co2)n1,PEUTWPFFXUSYON-UHFFFAOYSA-N
rxn:4:199650:226582,Cc1cc(-c2ccc(C(=O)N(C)C)cc2F)cnc1OCC1CN(C(=O)OC(C)(C)C)C1,ICFDWIAFCSFIBQ-UHFFFAOYSA-N
rxn:4:199652:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)C4)ccc3[N+](=O)[O-])cc2)CC1,BBLQYDWGGGKEOU-UHFFFAOYSA-N
rxn:4:199681:225898,COc1ccc(-c2cnn(CCN3CCOCC3)c2)c(C(=O)N2CCC(COc3ccc(F)cn3)C2)c1,DWKYDQNINSUMTC-UHFFFAOYSA-N
rxn:4:199691:224604,CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cc2nc(C)n(C(C)(C)C)c2cc1F,VDJMVKBGZBQGRS-UHFFFAOYSA-N
rxn:4:199693:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(C#N)ccc3OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,GBAUFDOFUDLJHJ-UHFFFAOYSA-N
rxn:4:199700:222935,COc1ccc(C(=O)N2CCC(Oc3ccncc3-c3ccc(CNS(=O)(=O)N(C)C)cc3)C2)cc1OC,SMHFUVDJVNHRMF-UHFFFAOYSA-N
rxn:4:199707:224356,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)n2)C1,PPIZHDJCMSJYCR-UHFFFAOYSA-N
rxn:4:199709:225977,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,VARVUXBPGGKCQH-UHFFFAOYSA-N
rxn:4:199711:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OCC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2Cl)CC1,DUFNDVLEBLAGME-UHFFFAOYSA-N
rxn:4:199713:226188,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cc(C)c([Si](C)(C)C)cc1C,NFQIXGAURUUAPX-UHFFFAOYSA-N
rxn:4:199714:224352,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cn2)CC1,KUFIBTJLZDEJOJ-UHFFFAOYSA-N
rxn:4:199716:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cccnc1OCC1CCN(C(=O)OC(C)(C)C)CC1,NTBZSKXJQRNZRS-UHFFFAOYSA-N
rxn:4:199719:223591,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)CC1,VFSJKEAFXNSDSN-UHFFFAOYSA-N
rxn:4:199719:227706,COc1cnc(C(F)F)c(-c2cc([N+](=O)[O-])ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1,CFLMHWOPGKTZQD-UHFFFAOYSA-N
rxn:4:199764:228225,COC(=O)c1cc(-c2cc(Cl)cnc2C2CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FBPSZIBJRZKPDL-UHFFFAOYSA-N
rxn:4:199766:223904,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,KGDQJQYUIHAJSV-UHFFFAOYSA-N
rxn:4:199784:223505,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,WMRQPSKEFDHKJG-UHFFFAOYSA-N
rxn:4:199786:223531,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,VHNKQMYUANMOPG-UHFFFAOYSA-N
rxn:4:199786:223592,COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,VVCIVCPBRPJZNP-UHFFFAOYSA-N
rxn:4:199787:223574,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],CWTSEMPXPUEEOI-UHFFFAOYSA-N
rxn:4:199790:223139,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCNCC2)nc1,ZTMDUJGEBSYHBM-UHFFFAOYSA-N
rxn:4:199790:223835,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)c(C)cc1F,OSJYSSHALFNFRY-UHFFFAOYSA-N
rxn:4:199790:224327,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCC(C)C2)c1,DUXXLCPYKFNBCE-UHFFFAOYSA-N
rxn:4:199809:223649,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,STRZTAHZUBKLDQ-UHFFFAOYSA-N
rxn:4:199809:223889,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,WFJCGFHJNVTPEC-UHFFFAOYSA-N
rxn:4:199809:228218,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(C3CC3)ncc2F)c1,GZNZABBZULMXQX-UHFFFAOYSA-N
rxn:4:199810:224720,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-c1cn(C(=O)OC(C)(C)C)nc1C1CC1,UIXFCCLYDHRJAI-UHFFFAOYSA-N
rxn:4:199813:223529,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,NHBRMEBXGOBOAU-UHFFFAOYSA-N
rxn:4:199813:226715,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1cnn(C(=O)OC(C)(C)C)c1,XGBYDEHYPHFDFW-UHFFFAOYSA-N
rxn:4:199830:223591,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1Cl,NHTDFZLFOJTFRC-UHFFFAOYSA-N
rxn:4:199834:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(CCN2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1F,CURVFLJLHOXJBF-UHFFFAOYSA-N
rxn:4:199835:222720,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2ccc(N3CCNCC3)cc2C(F)(F)F)c1,AMARMQYVAPCMOA-UHFFFAOYSA-N
rxn:4:199840:223581,COC(=O)c1cccc2cc(-c3ccc(C4CCCN4C(=O)C4CN(C(=O)OC(C)(C)C)C4)cc3)n(C(=O)OC(C)(C)C)c12,FPGPXDJLLDAJGO-UHFFFAOYSA-N
rxn:4:199860:223055,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1ccc(N2CCNCC2)nc1C,NZNZKFUFMQAKAT-UHFFFAOYSA-N
rxn:4:199860:223829,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C,MIEFNBBCBXCEOB-UHFFFAOYSA-N
rxn:4:199863:223167,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1ccnc(N2CCNCC2)c1,NDMWFUOZNPOHQU-UHFFFAOYSA-N
rxn:4:199863:224316,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,AHPZDWPZFVXTAZ-UHFFFAOYSA-N
rxn:4:199870:225880,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cc(C2CCOCC2)ncc1F,XCEWKUUFCMDFPB-UHFFFAOYSA-N
rxn:4:199883:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)ccc2F)CC1,AXXZUYOIDNDKEK-UHFFFAOYSA-N
rxn:4:199883:223588,Cc1cc(-c2ccc(C(=O)C3CCN(C4(C)CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,LTTOZXUUHSYQLP-UHFFFAOYSA-N
rxn:4:199883:223638,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cc3)CC2)CC1,LYGAFQNWNVHJKU-UHFFFAOYSA-N
rxn:4:200026:228772,CCc1c(-c2ccc(CC3SC4=NC(C)=C(C(=O)OC)C(c5ccc(OC)cc5)N4C3=O)cc2)ccnc1F,WYYWCKXFZSYHTP-UHFFFAOYSA-N
rxn:4:200282:224685,O=C1CCN(C(=O)c2cccc(-c3cc([N+](=O)[O-])ccc3OCC(=O)N3CCOCC3)c2)CC1,RWQDQQNPLXEVGU-UHFFFAOYSA-N
rxn:4:200309:224377,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,RLVJUMAFDYTLCV-UHFFFAOYSA-N
rxn:4:200368:223938,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)c(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)C1,ZWXIULZMIQTHCC-UHFFFAOYSA-N
rxn:4:200369:223588,Cc1cc(-c2cc(C#N)ccc2C2CN(C(=O)OC(C)(C)C)C2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VZVFPUOXIYPDQS-UHFFFAOYSA-N
rxn:4:200370:223939,CC(C)(C)OC(=O)N1CC(c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc2C#N)C1,BUFYXBXMZSXZDF-UHFFFAOYSA-N
rxn:4:200470:223038,CC(C)NC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCCC2C)ccc1Cl,PCIUUUULZGSJGC-UHFFFAOYSA-N
rxn:4:200492:226901,O=C(CCc1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1CC(N2C(=O)CCC2=O)C1,CHANDIHGKSXVEX-UHFFFAOYSA-N
rxn:4:200555:223104,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccc(NC(=O)C(F)(F)F)cc3)n2)C1,JOWFCXZROGAVRK-UHFFFAOYSA-N
rxn:4:200559:222504,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(F)c(C(=O)NCc4ccc(F)cc4)c3)co2)CC1,BDOLJEXVVJIPRL-UHFFFAOYSA-N
rxn:4:200561:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(C(=O)OC)c3)c(F)c2)CC1,MOKSHRPWAQTILI-SOAUALDESA-N
rxn:4:200575:228020,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3c(F)cccc3C3CC3)c(C(F)(F)F)n2)C1,SRLOKEBBUXJXBI-UHFFFAOYSA-N
rxn:4:200579:224655,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2F)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,CXLJJGDMSZLUBH-UHFFFAOYSA-N
rxn:4:200596:223670,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,TYLOMRWQCHBELF-UHFFFAOYSA-N
rxn:4:200610:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FYYQUGCKBHXOAT-UHFFFAOYSA-N
rxn:4:200610:223646,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cc2F)CC1,NEBDZONXYOZARX-UHFFFAOYSA-N
rxn:4:200625:223579,CC(C)CSc1ncc(-c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cc2)n1-c1ccc(F)cc1,NAPLAAQGEWPOIU-UHFFFAOYSA-N
rxn:4:200645:227680,O=C(C1CCCCC1)N1CCN=C1SCc1ccc(-c2cccc3c2OC(F)(F)O3)cc1,ZYOKJKQZFIYDJP-UHFFFAOYSA-N
rxn:4:200650:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,LSHBCMKGISCRRR-UHFFFAOYSA-N
rxn:4:200652:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,VROIWHCDXULJMR-UHFFFAOYSA-N
rxn:4:200659:223904,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,CHAXOZROMBIJBE-UHFFFAOYSA-N
rxn:4:200662:225993,COC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1[N+](=O)[O-],WSSCJQZYBFGFKZ-UHFFFAOYSA-N
rxn:4:200671:228248,CC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c(F)c1,WFZRVVIUEHQGHG-UHFFFAOYSA-N
rxn:4:200695:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,UBUFJOBRFKVPON-UHFFFAOYSA-N
rxn:4:200698:224374,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)ccc1CN1CCN(C(C)C)CC1,ACCAFDWQKQHHBV-UHFFFAOYSA-N
rxn:4:200700:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(Cl)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)c1,IVTLEISSFNAEOI-UHFFFAOYSA-N
rxn:4:200702:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3Cl)c(F)c2)CC1,OJHAZLVIIJGUQX-UHFFFAOYSA-N
rxn:4:200703:224081,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)ccc2Cl)CC1,JDAFHKLLPAWWEH-UHFFFAOYSA-N
rxn:4:200704:223883,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2Cl)CC1,RYJXEUVWYDDZMO-UHFFFAOYSA-N
rxn:4:200705:224277,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2Cl)CC1,PWYBBXLHEWBLOG-UHFFFAOYSA-N
rxn:4:200705:225561,CC(C)(C)OC(=O)c1ccccc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,DORVVXBCRLVOIN-UHFFFAOYSA-N
rxn:4:200708:223505,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)CC1,CVPTVLYUPMFXML-UHFFFAOYSA-N
rxn:4:200711:223931,CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,LUYFYNHMYLLVSB-UHFFFAOYSA-N
rxn:4:200721:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,SHZYUHVKSXOVQY-UHFFFAOYSA-N
rxn:4:200726:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,GDRXEWRICAQWID-UHFFFAOYSA-N
rxn:4:200726:228326,COc1cc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)n1,OVODIONVXSLOGP-UHFFFAOYSA-N
rxn:4:200729:224157,CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)CC1,GUGCAJZPOWNWDX-UHFFFAOYSA-N
rxn:4:200730:228583,CC(C)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccn1,VQGQZZPPCUHOKS-UHFFFAOYSA-N
rxn:4:200733:222412,CNC(=O)Nc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1,RRKRWMBDMQRHKR-UHFFFAOYSA-N
rxn:4:200734:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,HPZZFCXAVKUSRT-UHFFFAOYSA-N
rxn:4:200734:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,ZSPPTGRXHYDTHK-UHFFFAOYSA-N
rxn:4:200740:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)cc3F)c2)CC1,QMARGZRZLCHUPI-UHFFFAOYSA-N
rxn:4:200760:223084,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCC(O)CC2)nc1,JBTPYVICKTVAGX-UHFFFAOYSA-N
rxn:4:200772:222948,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2F)CC1,SAJNYWWWJWNSQC-UHFFFAOYSA-N
rxn:4:200783:223084,Cc1cc(-c2cnc(N3CCC(O)CC3)nc2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,UWPRNHFFXJWXHE-UHFFFAOYSA-N
rxn:4:200802:223831,CCOc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,VBAVRUPDNUOKOU-UHFFFAOYSA-N
rxn:4:200802:224249,CCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)ccc2F)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,MIFYJJLSMWWIBT-UHFFFAOYSA-N
rxn:4:200813:223650,CC(c1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,XBPQTVCMKGIKMV-UHFFFAOYSA-N
rxn:4:200822:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1,CJHRSGYTPKELQK-UHFFFAOYSA-N
rxn:4:200822:223777,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,CANNGKPSTDQBDL-UHFFFAOYSA-N
rxn:4:200824:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JQHNDJRCXARYOL-UHFFFAOYSA-N
rxn:4:200824:224702,Cc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NYOBPZXFGRAYCU-UHFFFAOYSA-N
rxn:4:200828:222864,CC(C)NCCOc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)cc2F)cc1F,DOLIGRIOYIVLHR-UHFFFAOYSA-N
rxn:4:200828:223500,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,VRPKIQSPONUXPF-UHFFFAOYSA-N
rxn:4:200831:223508,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)CC2)cc1C,NZIZASAPGJNLPH-UHFFFAOYSA-N
rxn:4:200832:224817,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1-c1ccccc1S(=O)(=O)N1CCOCC1,CBHNEEQVPHGONU-UHFFFAOYSA-N
rxn:4:200839:223596,COc1c(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,JUHORTLIZJRUQL-UHFFFAOYSA-N
rxn:4:200845:225144,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCOCC4)cc3C#N)cc(C3CC3)c2)CC1,YDKUJVFTZCUIBD-UHFFFAOYSA-N
rxn:4:200866:224276,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)c1,IJTXAOYSBIHQNJ-UHFFFAOYSA-N
rxn:4:200871:222791,Cc1cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NXWBOAWXESOODL-UHFFFAOYSA-N
rxn:4:200871:229195,Cc1cc(-c2ccc(F)nc2Cl)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VPOVOIDADNTJKH-UHFFFAOYSA-N
rxn:4:200882:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc2)CC1,BBDAAUCHNXBJAB-FBSWEULCSA-N
rxn:4:200883:227584,COc1cc(-c2ccccc2CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc(OC)c1Cl,QIIMUSJVQNRYBW-UHFFFAOYSA-N
rxn:4:200890:226446,CCOc1ccc(-c2ccc(C3CCOC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,JHVBDGNIPJYMSV-UHFFFAOYSA-N
rxn:4:200891:222524,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2C)CC1,RCTYHDZTHQRCAO-UHFFFAOYSA-N
rxn:4:200891:223671,CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C)CC1,ZGDNAHWIQCFHGG-UHFFFAOYSA-N
rxn:4:200892:225557,CCOc1ccc(-c2ccc(C3(C(=O)OC)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,DTBWJYXXLJMXBN-UHFFFAOYSA-N
rxn:4:200999:222466,CCOC(=O)c1cc2c(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccnc2n1S(=O)(=O)c1ccc(C)cc1,LENWCORJEAEXSZ-UHFFFAOYSA-N
rxn:4:201089:223638,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)ccc3s2)CC1,BOAMZVOZUIKDRJ-UHFFFAOYSA-N
rxn:4:201089:224160,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc5c(c4)CCN5C(=O)OC(C)(C)C)ccc3s2)CC1,SWADACVKJFWUFI-UHFFFAOYSA-N
rxn:4:201089:224653,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(Cl)cc4OCC4CCCCO4)ccc3s2)CC1,DDEIEPKIPWRMCK-UHFFFAOYSA-N
rxn:4:201109:224151,Cc1cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OC(C)(C)C)C2)C(=O)CO3)cc(Cl)c1OCc1ccccc1,CPFOPIFDXKIEMJ-UHFFFAOYSA-N
rxn:4:201109:225995,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cc(C#N)ccc4OC(F)(F)F)cc32)C1,ZYLRQSNPAUTUQQ-UHFFFAOYSA-N
rxn:4:201134:223065,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCNCC4)cc3F)c3ccccc23)CC1,XQTLDPVVBRKZKO-UHFFFAOYSA-N
rxn:4:201150:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1,JGAAFFPOHKVILA-UHFFFAOYSA-N
rxn:4:201150:227924,CCOc1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c(C)c1,RONLPPCQFLOBHU-UHFFFAOYSA-N
rxn:4:201311:223606,CCCc1n[nH]c(C(=O)OC)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,JVZXEESJCYGSLR-UHFFFAOYSA-N
rxn:4:201607:223651,COC(=O)c1ccc(Cn2nc(C)c(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)c2C)o1,SVQBGTJTWNPZFL-UHFFFAOYSA-N
rxn:4:201644:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)on2)cc1,KDMIXRRSFJCRKE-UHFFFAOYSA-N
rxn:4:201660:225367,N#CCC(=O)C1CCCN(c2cccc(-c3cnc(N4CCC(F)(F)CC4)nc3)c2)C1=O,CMODAEAQUSWJMY-UHFFFAOYSA-N
rxn:4:201677:222846,N#CCC(=O)C1CCCN(c2cccc(-c3cc(C4CCCNC4)ccc3C#N)c2F)C1=O,FEOTWBZVSQGKLW-UHFFFAOYSA-N
rxn:4:201732:222694,CCOC(=O)C1CCC(n2cc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,VSNCNLVLHKRTQB-UHFFFAOYSA-N
rxn:4:201765:225161,O=C(c1ccc(-c2ccc(F)c(C(=O)N3CCCC3)c2)cc1)N1CC(CN2C(=O)COC2=O)C1,UYVKGDNZRJGDIH-UHFFFAOYSA-N
rxn:4:201766:222389,O=S(=O)(c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)N1CC(Oc2ccncc2)C1,PRWDHLNVBXVGKT-UHFFFAOYSA-N
rxn:4:201794:223596,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,PZTSWOLDBFZVLA-UHFFFAOYSA-N
rxn:4:201798:225830,Cc1cc(-c2cnc(N3CCCCC3)nc2C)ccc1N1CCCC(C(=O)CC#N)C1=O,OPPGNOXLOUQUFW-UHFFFAOYSA-N
rxn:4:201803:223021,COCCNC(=O)c1cccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2OC(F)F)c1,DZIJFFRYKJORCN-UHFFFAOYSA-N
rxn:4:201817:224718,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1ccc(OCCN2CCOCC2)nc1,YWFGMMANTQXFSB-UHFFFAOYSA-N
rxn:4:201826:223598,CN1CCN(CCOc2ccccc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CC1,PGPNETFYUIBPDP-UHFFFAOYSA-N
rxn:4:201827:223748,CN1CCN(CCOc2ccc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2)CC1,CMPAKQNODGTTJC-UHFFFAOYSA-N
rxn:4:201837:223945,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)s2)C1,ZENXHOVRWOJCKM-UHFFFAOYSA-N
rxn:4:201858:224009,COc1ccc(-c2cccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)cc1S(=O)(=O)N1CCOCC1,OJSSLQDXOIYDSN-UHFFFAOYSA-N
rxn:4:201946:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)c2)CC1,SDNDWIHKBBLGQC-UHFFFAOYSA-N
rxn:4:201958:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3F)cc2)CC1,VNZDXMQPJKONKK-UHFFFAOYSA-N
rxn:4:201962:222630,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,YXGSMUHLYDGKGR-UHFFFAOYSA-N
rxn:4:201962:224408,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c1,PKKCRKIWDBJKCO-UHFFFAOYSA-N
rxn:4:201967:227386,COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1cnn(C2CCCCC2)c1,VAICNGWPCKBHLJ-UHFFFAOYSA-N
rxn:4:201987:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)c(F)c2)CC1,UEFSZTQYRVKWRY-SOAUALDESA-N
rxn:4:201995:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2Cl)CC1,BBYFRTQVKCXCOO-UHFFFAOYSA-N
rxn:4:201996:222948,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)C1,IXRBAALFXJFWRE-UHFFFAOYSA-N
rxn:4:201996:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccn2)cnc1Cl,LCSHMMSEUXILHK-UHFFFAOYSA-N
rxn:4:201999:225977,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2cc(Cl)cnc2N2CCOCC2)n1,JDQMGDGDJUFSSR-UHFFFAOYSA-N
rxn:4:202011:223935,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)C1,RYZHMDZPFNJOKP-UHFFFAOYSA-N
rxn:4:202011:224160,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)C1,ZXCCIWRTPJJQDD-UHFFFAOYSA-N
rxn:4:202020:224120,Cc1cc(-c2cnccc2C2CN(C(=O)OC(C)(C)C)CCO2)ccc1CO[Si](C)(C)C(C)(C)C,XUSYREWBMSZLND-UHFFFAOYSA-N
rxn:4:202022:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)nc3)cc2)CC1,HSNJQIJJRIYGAL-UHFFFAOYSA-N
rxn:4:202022:225980,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2cc(N3CCOCC3)ncc2F)cn1,SXUQXLVRHUFWAO-UHFFFAOYSA-N
rxn:4:202062:224746,CCOC(=O)C1CCC(n2nc(C)c(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c2C)CC1,AYLYASBVRNPVGE-UHFFFAOYSA-N
rxn:4:202086:224396,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)C2)ccc1F,BRFMXZJFKWWTPG-UHFFFAOYSA-N
rxn:4:202095:223045,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(C(=O)NC(C)C)ccc1F,MPBCIIYUKPCWKJ-UHFFFAOYSA-N
rxn:4:202098:223660,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)nc2)CC1,UDPXVXCPJLVJHM-UHFFFAOYSA-N
rxn:4:202106:224371,COC(=O)C1CCN(c2ncc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cn2)CC1,RNJQSQSIBPNXBW-UHFFFAOYSA-N
rxn:4:202107:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,MDRRLBKKDVICSA-UHFFFAOYSA-N
rxn:4:202111:222812,CC(C)(C)OC(=O)Nc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnc1Cl,DEDQFAAPVXCXOJ-UHFFFAOYSA-N
rxn:4:202111:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)c1,UPQSVCDFMLXKDF-UHFFFAOYSA-N
rxn:4:202111:226037,COc1c(C(F)(F)F)ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,DWOIQCYRZNCTCP-UHFFFAOYSA-N
rxn:4:202126:225233,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(Cl)c(N2CCCC(C)C2)c1,QJHKWNFEZUEIBR-UHFFFAOYSA-N
rxn:4:202131:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IGMPCRCQXFCYBB-UHFFFAOYSA-N
rxn:4:202139:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCC(N(C)C)CC2)cc1C(F)(F)F,ZXZKXMVWZBWAHF-UHFFFAOYSA-N
rxn:4:202139:225928,Cc1ccc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C,FIUNVAFFJSUBBM-UHFFFAOYSA-N
rxn:4:202146:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2F)cc1F,YKUGMZDBQXQQTR-UHFFFAOYSA-N
rxn:4:202161:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(CN3CCC(N(C)C)CC3)cc2OC)c1,YXNMHTZAEOVRRM-UHFFFAOYSA-N
rxn:4:202161:222911,COC(=O)c1cc(NC(C)=O)cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2OC)c1,XGWCHDYUOOUIRW-UHFFFAOYSA-N
rxn:4:202161:223563,COc1cc(COc2c(C)cc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2C)cc(OC)c1,LHUCKDPQCIKHFJ-UHFFFAOYSA-N
rxn:4:202175:223158,CCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc1F,TZADGUUXFGBNKZ-UHFFFAOYSA-N
rxn:4:202207:223970,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)cc2)CC1,MLCYGLIJUCALKU-UHFFFAOYSA-N
rxn:4:202209:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2OC)cc(C2CCCNC2)n1,PNHOIURRGBWIQR-UHFFFAOYSA-N
rxn:4:202209:224406,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,YHKZYUIWQZIIAL-UHFFFAOYSA-N
rxn:4:202211:223481,Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)CC2)n1,GNXDRONDLADMSH-UHFFFAOYSA-N
rxn:4:202211:224320,Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCCCC5)ccc4C)cc3)CC2)n1,IBNPCZGMUZABLU-UHFFFAOYSA-N
rxn:4:202225:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,VORPMTVMKCTJDD-UHFFFAOYSA-N
rxn:4:202226:223592,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)n1,AAPMJMAKRCWQNL-UHFFFAOYSA-N
rxn:4:202232:227390,CC1CCN(c2ccc(-c3ccnn3C3CCCCC3)c(C(=O)OC(C)(C)C)n2)CC1,NLGHIHCTSFSKNY-UHFFFAOYSA-N
rxn:4:202233:223938,CC1CCCN(c2ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)n2)C1,BYBCHLITJRYFFX-UHFFFAOYSA-N
rxn:4:202233:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3CCCC(C)C3)nc2C(=O)OC(C)(C)C)c(Cl)c1,AIZNGZRMJNCGBB-UHFFFAOYSA-N
rxn:4:202236:223084,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cnc(N3CCC(O)CC3)nc2)c1,JUKXDYYCMGWOAN-UHFFFAOYSA-N
rxn:4:202236:223526,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,FSJGPOPRHOISKN-UHFFFAOYSA-N
rxn:4:202236:223533,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1,SLLWLBVPABBRDJ-UHFFFAOYSA-N
rxn:4:202236:224272,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2cc3ccncc3n2C(=O)OC(C)(C)C)c1,HCJNQRVCXVDDOK-UHFFFAOYSA-N
rxn:4:202240:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3)cc2)CC1,MTZOVKOWNGEKGM-UHFFFAOYSA-N
rxn:4:202267:222779,CC(C)(C)OC(=O)NCc1cnccc1-c1cccc(CN2CCOC(C(=O)N3CCCCC3)C2)c1,OASPVQJOPOKZHV-UHFFFAOYSA-N
rxn:4:202294:223994,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,DESZTSAJYQMLTB-UHFFFAOYSA-N
rxn:4:202298:222928,COc1cc(C)c(-c2cnc(N3CCC(O)CC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,JDZYWHMDCFTLOW-UHFFFAOYSA-N
rxn:4:202306:223009,CCN1CCN(Cc2cc(-c3cc(Cl)cc(C4CCNCC4)c3)cc(C(C)(C)C)c2)CC1,KKDMYSBZCHWIHX-UHFFFAOYSA-N
rxn:4:202306:223064,CCN1CCN(Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(C(C)(C)C)c2)CC1,BQPWVUOPNYTVTN-UHFFFAOYSA-N
rxn:4:202306:223625,CCN1CCN(Cc2cc(-c3ccc(COc4ccc(C(C)(C)C)cc4C)cc3)cc(C(C)(C)C)c2)CC1,CVDIEKGIYRLNHS-UHFFFAOYSA-N
rxn:4:202306:225590,CCN1CCN(Cc2cc(-c3ccc(CN4CCCC4)c(F)c3)cc(C(C)(C)C)c2)CC1,IXLOQCHQTOJNHR-UHFFFAOYSA-N
rxn:4:202306:225593,CCN1CCN(Cc2cc(-c3cc(F)cc(CN4CCCC4)c3)cc(C(C)(C)C)c2)CC1,VRLFULJQKDTDHW-UHFFFAOYSA-N
rxn:4:202318:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc1,PGMNCRADTSRGFV-UHFFFAOYSA-N
rxn:4:202327:224323,Cc1cc(-c2ccc(CN(C)C3CCCCC3)c(N3CCOCC3)c2)cc(C)c1S(=O)(=O)N1CCCC1,CKIYJVBUNYIFFZ-UHFFFAOYSA-N
rxn:4:202331:223695,COc1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,IFVNFCOFXHOHOB-UHFFFAOYSA-N
rxn:4:202656:223939,CC(C)(C)OC(=O)N1CCN(c2cccc3sc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCO5)cc23)CC1,COWKECLLLHVEKP-UHFFFAOYSA-N
rxn:4:202689:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3c(c2)CN(C2CCC(=O)N(C(=O)OC(C)(C)C)C2=O)C3=O)c1,MLFAIOWBRITANX-UHFFFAOYSA-N
rxn:4:202712:223382,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4cnc(NC5CC5)nc4)ccc3C2=O)C1,NFBJMUYWOHZNCB-FQEVSTJZSA-N
rxn:4:202712:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)c(Cl)c1,LKTVNSNATOBRDD-QHCPKHFHSA-N
rxn:4:202714:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4cncc(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cc2C1,IELASUVZMMMASW-UHFFFAOYSA-N
rxn:4:202720:222826,Cc1ccc2ncc(C(=O)N3CCCC3)c(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)c2c1,GQFXAQZFRLHXGM-UHFFFAOYSA-N
rxn:4:202754:223505,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc32)CC1,RRUMXDUMTSYRTJ-UHFFFAOYSA-N
rxn:4:202754:223593,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)ccc32)CC1,QVHYAIYLFFKHIH-UHFFFAOYSA-N
rxn:4:203153:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cn(C(=O)OC(C)(C)C)cn2)CC1,GNQPUVFZNIDNQR-UHFFFAOYSA-N
rxn:4:203565:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nn(C4CCCCO4)cc3C(=O)OC)ccc2C)CC1,HFTYVAWULQEKGD-UHFFFAOYSA-N
rxn:4:203684:222623,CCC(C)c1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2OC)cc(C2CCNCC2)n1,SRZXGOBQQYLZIX-UHFFFAOYSA-N
rxn:4:203708:225269,COC(=O)c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c(C(=O)OC)c1,SQDHSNZTJZWLSU-UHFFFAOYSA-N
rxn:4:203708:225800,O=C(c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1)N1CCSC1,QQMFGRABYHTCSU-UHFFFAOYSA-N
rxn:4:203709:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(N2C(=O)COC2=O)C1,ROZUHYNEPMCTRX-UHFFFAOYSA-N
rxn:4:203709:225175,O=C(c1ccc(-c2ccc(F)c(CN3CCOCC3)c2)o1)N1CCC(N2C(=O)COC2=O)C1,QJUKRUNECFWVIH-UHFFFAOYSA-N
rxn:4:203709:226864,O=C(c1ccc(-c2cc(F)c(OC(F)F)c(F)c2)o1)N1CCC(N2C(=O)COC2=O)C1,UPJROYNFMMDQFG-UHFFFAOYSA-N
rxn:4:203712:226185,O=S(=O)(c1ccc(-c2ccc(C3CCOCC3)cc2)cc1)N1C=CC(C(F)(F)F)=NCC1,PKROJTKDPFYKLW-UHFFFAOYSA-N
rxn:4:203782:223669,COc1cc(N2CCCC(F)(F)C2)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1[N+](=O)[O-],JCZRMMKNXAOWMM-UHFFFAOYSA-N
rxn:4:203821:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(F)cc1CC(=O)N1CCN(C)CC1,JACHAVMXKONUDV-UHFFFAOYSA-N
rxn:4:203827:222890,COc1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc(C2CCCNC2)n1,ZKLYYKHKYRWOPU-UHFFFAOYSA-N
rxn:4:203833:226186,O=C(c1ccc(-c2ccccc2C2CCOCC2)o1)N1CCC(N2C(=O)CSC2=O)CC1,ZBFQVDRRCCXYDQ-UHFFFAOYSA-N
rxn:4:203833:226422,O=C(c1ccc(-c2cc(F)ccc2N2CCCC2)o1)N1CCC(N2C(=O)CSC2=O)CC1,BLVJRFOOMHTRFH-UHFFFAOYSA-N
rxn:4:203833:227554,COC(=O)c1c(F)cccc1-c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)o1,CHGMENPEDYUWHB-UHFFFAOYSA-N
rxn:4:203833:227789,O=C(c1ccc(-c2cc(Cl)nc(C(F)(F)F)c2)o1)N1CCC(N2C(=O)CSC2=O)CC1,JIFARBFXYRGXJY-UHFFFAOYSA-N
rxn:4:203840:226312,CC(C)OC(=O)c1ccccc1-c1ccc(C(=O)CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,KOTZCMMHOZZICH-UHFFFAOYSA-N
rxn:4:203907:223501,CN1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,XZURDDYQCZHLMA-UHFFFAOYSA-N
rxn:4:203914:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(F)(F)F,PDLQNMGGYVEYIY-UHFFFAOYSA-N
rxn:4:203929:225262,COc1cc(C(=O)N(C)OC)ccc1-c1cc([N+](=O)[O-])c(C)cc1OC1CCN(C)CC1,KSZIWUOWIJADRS-UHFFFAOYSA-N
rxn:4:203938:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1,QWORUXMAWIRLLN-UHFFFAOYSA-N
rxn:4:203940:222851,CCc1cc(-c2ccccc2N2CCN(S(=O)(=O)C3CC3)CC2)cc(C2CCNCC2)n1,BXELZXSABPRPLC-UHFFFAOYSA-N
rxn:4:203985:224393,O=C(c1ccccc1-c1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC(N2C(=O)COC2=O)CC1,OBSKLORWTNNKFI-UHFFFAOYSA-N
rxn:4:203985:227530,COC(=O)c1ccc(F)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,QVXYUXVDGYMYFR-UHFFFAOYSA-N
rxn:4:203985:227531,COC(=O)c1cc(F)cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,HWFWXVOHJYVBFI-UHFFFAOYSA-N
rxn:4:203986:225873,O=C(c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,RLNITCOBKIXYNP-UHFFFAOYSA-N
rxn:4:204014:222854,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C4CCCNC4)ccc3OC)c2)CC1,RSKOXMFRPSHUPK-UHFFFAOYSA-N
rxn:4:204014:224817,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccccc3S(=O)(=O)N3CCOCC3)c2)CC1,JZOSLZPIEZPBMU-UHFFFAOYSA-N
rxn:4:204046:228300,CCOC(=O)c1ccsc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1,PWTOIOSTERBMQE-UHFFFAOYSA-N
rxn:4:204046:228370,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c([N+](=O)[O-])c1,XRKIFGQYQZLIFE-UHFFFAOYSA-N
rxn:4:204048:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4C(=S)C(c5ccccc5)=NC4(C)C)cc3)cc2)CC1,PTJJQLMSLVGXBM-UHFFFAOYSA-N
rxn:4:204070:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)cc2)CC1,KTSYAVAHNDNAEG-RQNOJGIXSA-N
rxn:4:204082:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)cc2)CC1,CPWICANXCMZEPJ-RQNOJGIXSA-N
rxn:4:204082:226187,O=C(c1cccc(-c2cccc(C3CCOCC3)c2)c1)N1CCC(N2C(=O)COCC2=O)CC1,YWELUERAZKGLST-UHFFFAOYSA-N
rxn:4:204082:226980,O=C1CCCc2cccc(-c3cccc(C(=O)N4CCC(N5C(=O)COCC5=O)CC4)c3)c21,UMELLJCXADRFLF-UHFFFAOYSA-N
rxn:4:204082:227707,O=C(c1cccc(-c2ccccc2OC(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1,VICBLYDRLGDKSE-UHFFFAOYSA-N
rxn:4:204093:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(CC4CCCN(C(C)C)CC4)c3)cc2)CC1,NEPVPBHGFHLNKA-HZDXXYERSA-N
rxn:4:204098:222724,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,NCUOCAOYYCDERJ-UHFFFAOYSA-N
rxn:4:204102:223521,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C)CC1,KEDYNTSRDFUWPU-UHFFFAOYSA-N
rxn:4:204109:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,DWYCUIIIKASXMP-UHFFFAOYSA-N
rxn:4:204109:223250,O=C1COc2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2N1,WTYNRGJIRSUDHJ-UHFFFAOYSA-N
rxn:4:204109:227065,CC(C)C(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,AYVZGSXGCBOUGJ-UHFFFAOYSA-N
rxn:4:204109:227243,CC(=O)OCc1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,DTNSVIPKBXIKSK-UHFFFAOYSA-N
rxn:4:204134:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,HEWXJUXDMKDDLH-UHFFFAOYSA-N
rxn:4:204135:225986,O=S1(=O)CCCN1c1ccccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCSC2)CC1,YSQVPZISVKLXHC-UHFFFAOYSA-N
rxn:4:204140:222888,CN1CCN(Cc2cc(-c3ccc(CN4CCNCC4)c(Cl)c3)cc(C(C)(C)C)c2)CC1,AYKFZHZVBBELOX-UHFFFAOYSA-N
rxn:4:204600:223761,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)nc2C1,KHHKVFAWBLBRHK-UHFFFAOYSA-N
rxn:4:204680:223500,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2CC1,JLEBWBZRIFNOSZ-UHFFFAOYSA-N
rxn:4:204722:226900,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,PNNRKZKILLWPQV-UHFFFAOYSA-N
rxn:4:204780:225623,O=S(=O)(c1ccc(-c2cccc(OC3CCOCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,JHDDVPUCZWIEKC-UHFFFAOYSA-N
rxn:4:205459:223539,COC(=O)c1c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(C)nn1C,NNMRPXWAXNRLNK-UHFFFAOYSA-N
rxn:4:205639:223695,COC1(c2nnc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)s2)CCOC1,QFHONUSALFRRHZ-UHFFFAOYSA-N
rxn:4:205824:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc([N+](=O)[O-])ccc2N2C(=O)C=CC2=O)c1,KJJBGSAXUPEACO-AWEZNQCLSA-N
rxn:4:205885:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ncc(C(=O)N4CCOCC4)s3)c2)CC1,HBKBZZFYKACNAP-UHFFFAOYSA-N
rxn:4:206325:223699,COc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cn1C1CCCC1,HUYCCLFXMUZEIV-UHFFFAOYSA-N
rxn:4:206712:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1C(=O)N1CCOCC1,IZMMPZFVCMXCMD-UHFFFAOYSA-N
rxn:4:206944:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cn2)cc1S(=O)(=O)N1CCOCC1,XNBLZDXIIYTYBL-UHFFFAOYSA-N
rxn:4:206957:224830,CC1CCN(S(=O)(=O)c2cncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c2)CC1,FEZRFWYWBAJUOG-UHFFFAOYSA-N
rxn:4:207406:223835,Cc1cc(F)c(-c2c3c(nn2CC(F)(F)F)CCCC3)cc1S(=O)(=O)N1CCC(C)CC1,MXCBTYCIJLAGGT-UHFFFAOYSA-N
rxn:4:207426:223592,CCn1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)c1C12CCCC1O2,YCIILSSMYXRRSB-UHFFFAOYSA-N
rxn:4:207450:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(=O)n(CC5CC5)cnc4c3)cc2[N+](=O)[O-])CC1,UOOQEMZECDAERQ-UHFFFAOYSA-N
rxn:4:207779:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1,STNLKQXNCJVDGG-LJQANCHMSA-N
rxn:4:207946:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,FOFYIEXLSOJCJB-UHFFFAOYSA-N
rxn:4:207946:223748,COc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,ZCXRHRGJSFWKHM-UHFFFAOYSA-N
rxn:4:207946:224569,COc1cc(-c2cc(F)cc(OCC3CCCCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DOMOUKYMAUCDSI-UHFFFAOYSA-N
rxn:4:207946:225201,COc1cc(-c2ccc(OC3CCCC3)c(F)c2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,LXQOMGPVAULSLS-UHFFFAOYSA-N
rxn:4:207965:223194,CCCNCc1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)cc1,WGPFJZKDVLMFKN-UHFFFAOYSA-N
rxn:4:207965:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCC(C)CC3)O4)c(F)c2)CC1,KKPYQANFNHHIRF-KAAAQJTNSA-N
rxn:4:207965:226122,COCc1ccc(C2CC2)c(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)c1,UBTSDNYMVZUFBZ-UHFFFAOYSA-N
rxn:4:208817:223528,Cc1ccc(S(N)(=O)=O)c(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,KGZHNRSNQYDZPK-UHFFFAOYSA-N
rxn:4:209193:223492,Cc1cc(-c2c[nH]nc2C(C)(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UQBKUMYHKLQLJB-UHFFFAOYSA-N
rxn:4:209245:223521,CC(c1cccc(-c2cncc(N3CCSC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,RPZINNQWAHLRBI-UHFFFAOYSA-N
rxn:4:209807:222426,C[C@@H]1CCCC[C@H]1n1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1,UNNPLNXDBVRNLI-WZONZLPQSA-N
rxn:4:211073:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O,JCYAMKKNYFNCEJ-UHFFFAOYSA-N
rxn:4:211089:224337,N#CC1=C2CCCCCN2c2cc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)ccc2S1(=O)=O,BZYFQQGLZMEBHQ-UHFFFAOYSA-N
rxn:4:211098:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)cc2Cl)CC1,WHNVZDIPJOIWQP-UHFFFAOYSA-N
rxn:4:211100:224634,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCC(C)CC2)O3)cc1CN1CCOCC1,LNPPHEZRNNQMKV-UHFFFAOYSA-N
rxn:4:211101:224634,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1CN1CCOCC1,IPCYINJPRAHYBA-UHFFFAOYSA-N
rxn:4:211231:223482,Cc1cc(Cl)nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,FOXVQWXDWVBNOY-UHFFFAOYSA-N
rxn:4:212275:223490,Cc1ccc(-c2cnn3c2COC[C@@H]3C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PASYUTYBSIEJRL-KRWDZBQOSA-N
rxn:4:212482:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4c5c(cnc4cc3F)N(C)C(=O)CO5)cc21,PMVDMMGHARRFHP-UHFFFAOYSA-N
rxn:4:212515:224393,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,YMFMUVSDPUEAOZ-UHFFFAOYSA-N
rxn:4:212541:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cncc(OCC4CN(C(=O)OC(C)(C)C)C4)n3)cc21,BXADVWHUKKPOFM-UHFFFAOYSA-N
rxn:4:212557:224761,O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,MAJMEDAKSRRHMY-UHFFFAOYSA-N
rxn:4:212571:225876,Cn1cc(-c2cc(Cl)ccc2N2CCOCC2)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,JLUDYOWJXPVNPJ-UHFFFAOYSA-N
rxn:4:212593:223683,CN(C(=O)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)nc1)C1CN(C(=O)OC(C)(C)C)C1,HXUUSMNFZRJZRY-UHFFFAOYSA-N
rxn:4:212593:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,DBHOFYMNRTXEIX-UHFFFAOYSA-N
rxn:4:212607:225984,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,GNZJNBQXEPQDHT-UHFFFAOYSA-N
rxn:4:212619:223935,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)C1,ULFCJMOORQBADN-UHFFFAOYSA-N
rxn:4:212647:224157,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)cn1,YSBNTRDUNJVRHT-UHFFFAOYSA-N
rxn:4:212652:222790,COC(=O)c1cc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,WQICLUTYFOBMPU-UHFFFAOYSA-N
rxn:4:212655:223501,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QDNPZXAPXBONKU-UHFFFAOYSA-N
rxn:4:212658:223121,COC(=O)c1ncc(-c2ccc(C(=O)NC3CC3)cc2)cc1N1CCN(C(=O)OC(C)(C)C)CC1,OJKQDNRVECCUBI-UHFFFAOYSA-N
rxn:4:212675:225240,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(-c3cc(F)cc(F)c3)c2)cc1[N+](=O)[O-],PLTVTKDJUFEFRF-UHFFFAOYSA-N
rxn:4:212675:227661,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-],KOVMIIUMEBKEBP-UHFFFAOYSA-N
rxn:4:212691:222790,CN(C(=O)c1ccc(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,STDNELPDBNPTCW-UHFFFAOYSA-N
rxn:4:212693:226421,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2ccc(Cl)cc2N2CCCC2)c1,YDPDALHVKNGGJK-UHFFFAOYSA-N
rxn:4:212694:226899,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1=O,PPBZCJBJGAUGBC-UHFFFAOYSA-N
rxn:4:212736:224963,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(COC4CCOCC4)c3)cc2N2CCCC2)CC1,LSWNTQQVNNIMIK-UHFFFAOYSA-N
rxn:4:212747:223591,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1N1CCOCC1,TXDMHQNTCQNOQN-UHFFFAOYSA-N
rxn:4:212750:223774,COc1cccc2c1cc(-c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c1)n2C(=O)OC(C)(C)C,MRJZDDQUWQIZQG-UHFFFAOYSA-N
rxn:4:212770:223776,CCOC(=O)c1nn2c(c1-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CCO3)CN(C(=O)OC(C)(C)C)CC2,AMQBHKBHJWQKSP-UHFFFAOYSA-N
rxn:4:212770:226792,CCOC(=O)c1nn2c(c1-c1cnc(N3CCOCC3)nc1)CN(C(=O)OC(C)(C)C)CC2,CAZXDWALRSJDCP-UHFFFAOYSA-N
rxn:4:212770:228346,CCOC(=O)c1nn2c(c1-c1cc(C(=O)OC)sc1C)CN(C(=O)OC(C)(C)C)CC2,BPPIAAJGBUHRRJ-UHFFFAOYSA-N
rxn:4:212791:228199,CCOC(=O)c1nn2c(c1-c1cn(C3CCC3)nc1C)CN(C(=O)OC(C)(C)C)CCC2,QEXHWUMWMSDCDM-UHFFFAOYSA-N
rxn:4:212804:224720,CC(C)(C)OC(=O)n1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OCc3ccccc3)CC2)c(C2CC2)n1,SFJYGSMFSRZXRG-UHFFFAOYSA-N
rxn:4:212830:223823,CN(C(=O)c1cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,CLUXNFJSOVJUFI-AREMUKBSSA-N
rxn:4:212830:223938,CN(C(=O)c1cc2cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,YIOGCQHVHOFHBZ-XMMPIXPASA-N
rxn:4:212906:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cncc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,OBLKRICZEJFVDT-UHFFFAOYSA-N
rxn:4:212906:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1cncc(OC2CN(C(=O)OC(C)(C)C)C2)n1,ZMFZKFAQHUGAMG-UHFFFAOYSA-N
rxn:4:212939:222810,CC(C)(C)OC(=O)Nc1cc(-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)c(Cl)cn1,QSEHEOYBPBKRRX-UHFFFAOYSA-N
rxn:4:212939:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnc(CC2CN(C(=O)OC(C)(C)C)C2)nc1,NXYGUZXRIGZSFE-UHFFFAOYSA-N
rxn:4:212942:223526,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)C1,VXPZRBMNPWFRBC-UHFFFAOYSA-N
rxn:4:212942:223581,COC(=O)c1cccc2cc(-c3cnn(CC4CN(C(=O)c5cc(Cl)ccc5OC)C4)c3)n(C(=O)OC(C)(C)C)c12,QNCCHEUJVIZDNA-UHFFFAOYSA-N
rxn:4:212942:224372,COc1ccc(Cl)cc1C(=O)N1CC(Cn2cc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cn2)C1,JFBUOEDGSXJWNZ-UHFFFAOYSA-N
rxn:4:212966:223058,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cc(F)nc(C4CCCNC4)c3)cn2)C1,BLLQHHDGBPCRDK-UHFFFAOYSA-N
rxn:4:212970:223790,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cncc(C2CCCN2C(=O)OC(C)(C)C)c1,BUKZJQRBRNQFIE-UHFFFAOYSA-N
rxn:4:213006:224718,COc1ccc(-c2ccc(OCCN3CCOCC3)nc2)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,YZDASZMULVTPLI-UHFFFAOYSA-N
rxn:4:213010:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)c1,HFUNDJXILKEJTA-FQEVSTJZSA-N
rxn:4:213010:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnn(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)c3)c2)CC1,KPIDOKJAKJKGOF-DEOSSOPVSA-N
rxn:4:213010:225592,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cc(F)ccc3CN3CCCC3)cn2)C1,SIXSWXQMKXIFHJ-NRFANRHFSA-N
rxn:4:213043:223520,CC(c1ccc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JYHAFJZUCVVXKU-UHFFFAOYSA-N
rxn:4:213048:223832,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4OC)cn3)C2)cc1C,RPAFLFOGCRNVST-UHFFFAOYSA-N
rxn:4:213073:222426,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,OWVFEEOSSPJECB-UHFFFAOYSA-N
rxn:4:213078:223121,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc(C(=O)NC4CC4)cc3)c2C(F)F)CC1,APMMWEBXLOLUKG-UHFFFAOYSA-N
rxn:4:213078:224062,Cc1ccc(C)c(COc2cccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)F)c2)c1,XBQCWJUNYPEKPU-UHFFFAOYSA-N
rxn:4:213079:225829,CC1CCN(c2ncc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,IEEHBYMVZFEQAV-UHFFFAOYSA-N
rxn:4:213094:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cccc(C#N)c2N2CCN(C(=O)OC(C)(C)C)CC2)c1,MTXPDGYUVMJJFS-UHFFFAOYSA-N
rxn:4:213095:223520,CC(c1ccc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ISARVKCFDWTSLG-UHFFFAOYSA-N
rxn:4:213095:224356,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,DDOMDZMXVOIUJR-UHFFFAOYSA-N
rxn:4:213110:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4)C3)nc2)c1,UGSJZYXVNJMXHG-UHFFFAOYSA-N
rxn:4:213127:225102,CCN(CC)C(=O)c1cc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1F,WEDUTTKVJSGSHR-UHFFFAOYSA-N
rxn:4:213128:222426,COc1nc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cn1C1CCCN(C(=O)OC(C)(C)C)C1,CLPYGZIDXWCDGI-UHFFFAOYSA-N
rxn:4:213128:227082,COc1nc(-c2ccccc2N2CCCC2)cn1C1CCCN(C(=O)OC(C)(C)C)C1,PONXEFKKPKNBQS-UHFFFAOYSA-N
rxn:4:213131:224279,CC(C)(C)OC(=O)n1cnc2cc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)ccc21,MXMKAQYMDMNCEE-UHFFFAOYSA-N
rxn:4:213131:224400,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,KVTPIPGYPXFFKM-UHFFFAOYSA-N
rxn:4:213141:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-],TXOYLWLKAMJUEJ-UHFFFAOYSA-N
rxn:4:213141:223884,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,KGFPZUFGTSNKIL-UHFFFAOYSA-N
rxn:4:213143:227338,CC(C)Oc1ccc(F)c(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,QJXLUZXQBOYJJW-UHFFFAOYSA-N
rxn:4:213144:223883,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1,UHCNTRLDKVOYEQ-UHFFFAOYSA-N
rxn:4:213147:223931,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)CC1,DRYRNOADKOXBSV-UHFFFAOYSA-N
rxn:4:213150:225890,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnn(COCC[Si](C)(C)C)c3)cn2)CC1,PHIUGNCPKJDBKI-UHFFFAOYSA-N
rxn:4:213168:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(-c2ccc(SCC(=O)N3CCC(C)CC3)nn2)cc1,ALBPPCUDQRRGQR-UHFFFAOYSA-N
rxn:4:213170:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)c1,GMINVGMLRWNBMC-UHFFFAOYSA-N
rxn:4:213180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)c(C)o1,FKBDODXMSFSWDW-UHFFFAOYSA-N
rxn:4:213182:223812,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)cc1,YDPRIWDQOUAFTI-UHFFFAOYSA-N
rxn:4:213184:222546,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(OCCNC4CCCCC4)c(F)c3)CC2)nc1,KYJDCMGLVPOFAM-UHFFFAOYSA-N
rxn:4:213191:228211,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc(N4CCCC4)cs3)nc2)CC1,YBZDIGBGTXEUTM-UHFFFAOYSA-N
rxn:4:213191:228356,CC(C)c1nc(Cl)ncc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,MLEAMLWTFHLWBL-UHFFFAOYSA-N
rxn:4:213202:225320,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCOCC4)c(F)c3F)CC2)nn1,JLOBGMXOLOTSKO-UHFFFAOYSA-N
rxn:4:213213:223480,Cc1cc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HIKTYQNLCWEROO-UHFFFAOYSA-N
rxn:4:213220:224268,CC1CN(c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,IDENAMGAXYTRTM-UHFFFAOYSA-N
rxn:4:213223:223651,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,JEFPOCNQBZSLKN-UHFFFAOYSA-N
rxn:4:213225:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2F)CC1,FKHAEFRVPOUIFP-LJAQVGFWSA-N
rxn:4:213226:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cc2C1,UKXCKTMSDQHDHJ-SANMLTNESA-N
rxn:4:213226:224653,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2)[nH]1,HAQCVBKWQVEGCA-NASUQTAISA-N
rxn:4:213265:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c(F)c2)CC1,DMKUTEQUUUMBAM-DIVCQZSQSA-N
rxn:4:213265:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)cc2)CC1,LXYDTBOFYDFODW-MCZWQBSQSA-N
rxn:4:213275:222538,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cc(C5CCCC5)nc(C5CCNCC5)c4)no3)CC2)cc1,LRLWSWYRSKUBPE-UHFFFAOYSA-N
rxn:4:213275:223506,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)no3)CC2)cc1,QJMHRVZWOGBACS-UHFFFAOYSA-N
rxn:4:213336:223279,COC(=O)c1nc(-c2cnc(C3CCCN3)nc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,DFDTZNSZZGDFKM-UHFFFAOYSA-N
rxn:4:213336:227103,COC(=O)c1nc(-c2sccc2C2CCCCC2)n2c1CCN(C(=O)OC(C)(C)C)CC2,DHNJPJWHTZVTSP-UHFFFAOYSA-N
rxn:4:213388:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccnc2c1ccn2CC1CCN(C(=O)OC(C)(C)C)CC1,VEZUVGASSXRAAD-UHFFFAOYSA-N
rxn:4:213642:223536,CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1,ONIKDYYHCUHXGZ-UHFFFAOYSA-N
rxn:4:213756:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1,SHUFSHGCCAIVSZ-UHFFFAOYSA-N
rxn:4:213759:225233,CC1CCCN(c2cc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cnc2Cl)C1,XWAQFOWIAMUSLQ-UHFFFAOYSA-N
rxn:4:213766:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3coc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)CC1,VALAHYZHYPOJAW-UHFFFAOYSA-N
rxn:4:213767:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)c2)CC1,BOMOQRACAJFBRP-UHFFFAOYSA-N
rxn:4:213767:223928,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)o2)CC1,XMFIKXAJFQSUMF-UHFFFAOYSA-N
rxn:4:213769:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)nc3)cc2)CC1,ZZVDSEHWDLCPID-UHFFFAOYSA-N
rxn:4:213778:224746,CCN1CCN(c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)c(C(=O)OC)n2)CC1,XQGILDRZFCBCAH-UHFFFAOYSA-N
rxn:4:213800:223065,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCNCC3)cc2F)ncn1,AWUHYGQJOAZYEW-UHFFFAOYSA-N
rxn:4:213801:224291,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)C1,ASWHAVSZXAFPHR-UHFFFAOYSA-N
rxn:4:213803:222684,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cn1,UBMBEIXIDOYGFJ-UHFFFAOYSA-N
rxn:4:213805:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)nc2)CC1,OJFADVSYCUGKFV-UHFFFAOYSA-N
rxn:4:213805:225979,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cn2)C1,FELRSFUQFUBLLX-UHFFFAOYSA-N
rxn:4:213833:223777,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)n2)CC1,DTKMCOGLTAAVEY-UHFFFAOYSA-N
rxn:4:213834:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,POHCHFVWWOISIZ-UHFFFAOYSA-N
rxn:4:213834:225303,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)cn2)C1,YKITXYBQCACRMC-UHFFFAOYSA-N
rxn:4:213834:226714,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccnn3C(=O)OC(C)(C)C)cn2)C1,RXBFEYPMERMELE-UHFFFAOYSA-N
rxn:4:213835:223480,Cc1cc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PDBMPPIQFLXAKF-UHFFFAOYSA-N
rxn:4:213835:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccnn1C1CCN(C(=O)OC(C)(C)C)CC1,LHIMEJVDTDHKDF-UHFFFAOYSA-N
rxn:4:213836:225531,CCN(CC)Cc1cc(F)ccc1-c1ccnn1C1CCCN(C(=O)OC(C)(C)C)C1,LASNPUYEQKEZDI-UHFFFAOYSA-N
rxn:4:213838:223931,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,HAOXMNJPJNHDMU-UHFFFAOYSA-N
rxn:4:213839:223578,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2cnc(N3CCCCC3)nc2OCc2ccccc2)CC1,FALXZUWIDIRFDY-UHFFFAOYSA-N
rxn:4:213861:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,NILKBVVMMOOCIC-UHFFFAOYSA-N
rxn:4:213869:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)CC3)cc2)cc(C2CCNCC2)n1,DNBDAGVZAHPZFQ-UHFFFAOYSA-N
rxn:4:213875:225979,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,XBISWCKVTZIEEW-UHFFFAOYSA-N
rxn:4:213877:223951,CN1CCN(CCOc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)cc2F)CC1,GBBZTINTKGKERB-UHFFFAOYSA-N
rxn:4:213879:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,XZSAMJGTSBWFKB-UHFFFAOYSA-N
rxn:4:213879:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1,SZUSSLMZWFLMLL-UHFFFAOYSA-N
rxn:4:213879:223941,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)CC1,IOVHXPGCHDLBOG-UHFFFAOYSA-N
rxn:4:213880:226661,CN1CCN(c2csc(-c3ccncc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,UTEHGNIGYPRKPG-UHFFFAOYSA-N
rxn:4:213884:224819,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1,JZDGYFGQPCLKLF-UHFFFAOYSA-N
rxn:4:213884:226010,COc1ccc(OC(F)(F)F)cc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,LIZYSISXPRBUCT-UHFFFAOYSA-N
rxn:4:213886:223530,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,GIUUUKVYAWDGDU-UHFFFAOYSA-N
rxn:4:213886:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,NHTXWMUFPICATL-UHFFFAOYSA-N
rxn:4:213888:222584,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)C1,DFFLGTRBLXQMSE-UHFFFAOYSA-N
rxn:4:213888:223520,CC(c1ccc(-c2cncc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,JFJYNAPPHOGVAL-UHFFFAOYSA-N
rxn:4:213891:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)cn1,JRISLALMKPAJBG-UHFFFAOYSA-N
rxn:4:213893:224759,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)c2)CC1,NGQOXWRLKIFMLA-UHFFFAOYSA-N
rxn:4:213898:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(Cl)c2)CC1,OVWIJTIUCDCONH-UHFFFAOYSA-N
rxn:4:213898:225518,CCCCCOc1ncc(C)cc1-c1cnc(OC2CCN(C(=O)C(C)(C)C)CC2)nc1,UUBXZQZRPWWUAP-UHFFFAOYSA-N
rxn:4:213899:223058,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cc(F)nc(C2CCCNC2)c1,FJSPIHNAPKYPTQ-UHFFFAOYSA-N
rxn:4:213901:223940,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)CC1,ACFKUDDNWLXJAN-UHFFFAOYSA-N
rxn:4:213902:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,UIHLRFRRYOUNCJ-UHFFFAOYSA-N
rxn:4:213919:224190,COc1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)cc1O[Si](C)(C)C(C)(C)C,SWPGTCNXOVZCEH-UHFFFAOYSA-N
rxn:4:213932:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,ACHRDMLAFXHSHH-UHFFFAOYSA-N
rxn:4:213940:223528,Cn1ncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C1CCCN(C(=O)OC(C)(C)C)C1,KQJPDCJOUBLXSW-UHFFFAOYSA-N
rxn:4:213941:226174,Cc1c(-c2ccc(C3CCCCC3)nc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,MGNSQMVEPMBYNH-UHFFFAOYSA-N
rxn:4:213943:223931,CC(C)(C)OC(=O)N1CCC(C)(c2[nH]ncc2-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)CC1,INYUEJIEPGXBMT-UHFFFAOYSA-N
rxn:4:213971:225313,CN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)n2)CC1,PHKIISFRIPNKKC-UHFFFAOYSA-N
rxn:4:213971:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UBFRCEIERJPZCU-UHFFFAOYSA-N
rxn:4:213975:224272,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)nc2)CC1,NMOLTAYCPUHHEH-UHFFFAOYSA-N
rxn:4:213978:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)c2)CC1,WEVZFKKXAFWRAP-UHFFFAOYSA-N
rxn:4:213981:223660,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)n1,UUFINVBMVYCDDE-UHFFFAOYSA-N
rxn:4:213988:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,DWHXZYZLIWPEMY-UHFFFAOYSA-N
rxn:4:213988:226893,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cc(Cl)c(C(F)(F)F)cc3F)cn2)CC1,GJACXXHFIMGUIQ-UHFFFAOYSA-N
rxn:4:213996:226870,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1ccc(F)c(OC(F)(F)F)c1,WXOTUCGFMLHDSU-UHFFFAOYSA-N
rxn:4:214005:224761,O=C(c1cccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,AESJVGVHKPHROG-UHFFFAOYSA-N
rxn:4:214011:222988,Cc1cc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)cc(C2CCNCC2)n1,PMIFSMZMTJSRMH-UHFFFAOYSA-N
rxn:4:214025:222702,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCNC3)ccc2C(F)(F)F)CC1,DZXQOBNXFQIZER-UHFFFAOYSA-N
rxn:4:214025:222722,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1,DVIVRLWFRRIVGU-UHFFFAOYSA-N
rxn:4:214034:228300,CCOC(=O)c1ccsc1-c1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1,VQFMYRACTPEUNL-UHFFFAOYSA-N
rxn:4:214037:228895,CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)CC1,PLSPSNREWLHYKN-UHFFFAOYSA-N
rxn:4:214047:223593,Cc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ncc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,MDMJXXBOZPMNTH-UHFFFAOYSA-N
rxn:4:214048:223228,CCC(=O)Nc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2C)cc1,SKQVYMITWDGBSE-UHFFFAOYSA-N
rxn:4:214050:223750,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)cc1F,YGNBEYCVGBFQFX-RTWAWAEBSA-N
rxn:4:214057:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,KGBIYYMVYHRCAD-UHFFFAOYSA-N
rxn:4:214058:224061,CCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)c(F)c2)CC1,PCSNQFJNYKZFOT-UHFFFAOYSA-N
rxn:4:214062:227487,CCN1CCN(Cc2ccc(-c3ccc(F)cc3OCSC)cc2N2CCOCC2)CC1,WWGDEVWINPYTAD-UHFFFAOYSA-N
rxn:4:214067:224391,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C)cc4)no3)CC2)cc1,LRLIBWDUBCUUBE-UHFFFAOYSA-N
rxn:4:214074:223134,Cc1nn(S(=O)(=O)c2ccc(-c3cnccc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,TXFSTKZWRWKSEC-UHFFFAOYSA-N
rxn:4:214079:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)cc2)cc1,QCLKDZDAENXJEC-UHFFFAOYSA-N
rxn:4:214083:223699,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)no3)CC2)cc1C,ALTJRJXDTSSYPT-UHFFFAOYSA-N
rxn:4:214095:223696,CCOC(=O)c1nc2c(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc(C(F)(F)F)cn2n1,BUHWEVLRIUTJIN-UHFFFAOYSA-N
rxn:4:214135:225010,CCN(CC)S(=O)(=O)c1c(-c2ccc(F)c(CN3CCCCC3)c2)nc2n1CCOC2,IBOGDMDWAJCIBQ-UHFFFAOYSA-N
rxn:4:214145:226572,CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(-c3cnc(OC4CCCC4)nc3)c2C1,CZCDNNVWQDFYBG-UHFFFAOYSA-N
rxn:4:214145:226841,COc1cc(-c2nc(C(F)(F)F)n3c2CN(C(=O)OC(C)(C)C)CC3)cnc1C(F)(F)F,JWILMFGGEAHCMI-UHFFFAOYSA-N
rxn:4:214146:226848,COc1ccc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,ZECBBXQHDUVUJT-UHFFFAOYSA-N
rxn:4:214185:227774,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cc(Cl)ncc3C(F)(F)F)c2C1,JMVNFJNGRZMMHA-UHFFFAOYSA-N
rxn:4:214185:228362,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(Cl)nc3C3CC3)c2C1,ZCJOVFLPYULJCK-UHFFFAOYSA-N
rxn:4:214185:228443,CSc1c(F)ccc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1F,FYGKIBIALRZYQU-UHFFFAOYSA-N
rxn:4:214229:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc2)CC1,ZYSOFNFDQYXGKO-UHFFFAOYSA-N
rxn:4:214229:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnn(C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1,DFRIMRASMKOZIA-UHFFFAOYSA-N
rxn:4:214230:223525,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc23)CC1,PSARQEQYTQKJID-UHFFFAOYSA-N
rxn:4:214234:224653,CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ncc(-c4ccc(Cl)cc4OCC4CCCCO4)cc23)CC1,OPDUOVCERYICMH-UHFFFAOYSA-N
rxn:4:214256:225831,Cc1cc(-c2nn(C3CCOC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cnc1N1CCOCC1,VAVYKWRAFMTLQF-UHFFFAOYSA-N
rxn:4:214274:223532,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cccc32)CC1,XENLVYMIDGTGBN-UHFFFAOYSA-N
rxn:4:214274:223595,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cccc32)CC1,PWUWVWSFSPWSBV-UHFFFAOYSA-N
rxn:4:214274:223885,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cccc32)CC1,JPZFHSNHKVTZJV-UHFFFAOYSA-N
rxn:4:214275:223502,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc23)CC1,BSNKFNXGWWQJBE-UHFFFAOYSA-N
rxn:4:214292:226581,CN(C)C(=O)c1cccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c1F,DDTPDUNGOLGWBQ-MFEFFIJZSA-N
rxn:4:214296:222886,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc23)CC1,UXVRMXVOWZMDKE-UHFFFAOYSA-N
rxn:4:214302:222793,COc1ccc2cc(C3CC(c4ccc(-c5cccc(NC(=O)OC(C)(C)C)c5F)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,GXHDCLZGYCBKDH-UHFFFAOYSA-N
rxn:4:214304:228826,Cc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(F)cc1F,FZOLWRAOKIEXRB-UHFFFAOYSA-N
rxn:4:214321:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1,MPBOTKLJPADEPK-UHFFFAOYSA-N
rxn:4:214328:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)cc2)CC1,CKVBMERFDLZHTG-UHFFFAOYSA-N
rxn:4:214350:223502,Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)CC3)c2cc1C,WTQVKXYKTYCALF-UHFFFAOYSA-N
rxn:4:214584:223748,Cc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc([N+](=O)[O-])c1N=CN(C)C,NQAOOVKSNGAHNY-UHFFFAOYSA-N
rxn:4:214630:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,YDAZGASBMGMIBI-UHFFFAOYSA-N
rxn:4:214663:222546,Cn1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,TUMZXZKXYWXMBG-UHFFFAOYSA-N
rxn:4:214663:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCCC(C(F)(F)F)C1,UZLAMJIUMACXST-UHFFFAOYSA-N
rxn:4:214705:224769,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cn2)CC1,KODQTSLMTFKWBC-UHFFFAOYSA-N
rxn:4:214765:224193,CCN1CCN(Cc2cc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])ccc2F)CC1,BYMMXUNJKPWIOF-UHFFFAOYSA-N
rxn:4:214766:224656,COc1ccc(-c2ccc(N3CCC(N(C)C)CC3)c([N+](=O)[O-])c2)c(F)c1OC1CCCC1,ZIPWJFUGUBJOFS-UHFFFAOYSA-N
rxn:4:214771:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc([N+](=O)[O-])ccc1N1CCC(N(C)C)CC1,PYKIWXYPPOWLJH-UHFFFAOYSA-N
rxn:4:214804:224817,O=C(C1CN(c2ccncc2-c2ccccc2S(=O)(=O)N2CCOCC2)CCO1)N1CCCC1,UQCSFBLXYOHELT-UHFFFAOYSA-N
rxn:4:214820:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,IFOQHEJYXFARER-UHFFFAOYSA-N
rxn:4:214837:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,VKAGRVPVFVYNIP-UHFFFAOYSA-N
rxn:4:214838:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)s2)CC1,RXZZIGMTIMIJMR-UHFFFAOYSA-N
rxn:4:214839:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1F,IIMJDLSDPHGROQ-UHFFFAOYSA-N
rxn:4:214839:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1Cl,FDIWBDKOZAAXFD-UHFFFAOYSA-N
rxn:4:214872:225118,COC(=O)c1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc1OC(C)C,ZYSDFUGMYLLJCW-UHFFFAOYSA-N
rxn:4:214873:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)cc2F)CC1,KLOAOYZERYJTMF-UHFFFAOYSA-N
rxn:4:214874:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1Cl,RXTJSTQXLVYPIO-UHFFFAOYSA-N
rxn:4:214874:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,KMJRPNKYHOSQHX-UHFFFAOYSA-N
rxn:4:214880:224400,Cc1cc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,VWLFNAGAFWACBY-UHFFFAOYSA-N
rxn:4:214894:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,BCOZLCWDKLGKNA-MCZWQBSQSA-N
rxn:4:214900:223009,CN1CCN(Cc2ccc(-c3cc(Cl)cc(C4CCNCC4)c3)cc2N2CCCCC2)CC1,PUENZFTYEFXQOD-UHFFFAOYSA-N
rxn:4:214900:226464,COc1ccc2c(c1-c1ccc(CN3CCN(C)CC3)c(N3CCCCC3)c1)OCCO2,WNHVFEPKDMJAMA-UHFFFAOYSA-N
rxn:4:214929:223606,CCOC(=O)c1c(C)oc2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)nn12,WKWDSHMFFFVXMC-UHFFFAOYSA-N
rxn:4:214978:223541,COC(=O)Cc1nc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2[nH]1,QJGFKSNCRXHXHE-UHFFFAOYSA-N
rxn:4:215058:223695,CC(C)(C)OC(=O)N1CCn2c(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cnc2C1,KEMCKWKWZUWGCN-UHFFFAOYSA-N
rxn:4:215099:224731,C[C@@H]1Cn2ncc(-c3cccc(S(=O)(=O)OCC(C)(C)C)c3)c2CN1C(=O)OC(C)(C)C,ABKPJWJAWVIXDD-MRXNPFEDSA-N
rxn:4:215100:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)c1,APUYBNMUGPTPAY-UHFFFAOYSA-N
rxn:4:215100:223638,CC(C)(C)OC(=O)N1CCc2ncc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n2CC1,KESWSXGHJPLRHG-UHFFFAOYSA-N
rxn:4:215101:222892,COc1cc(N2CCNCC2)ccc1-c1ncc2n1CCN(C(=O)OC(C)(C)C)CC2,AQOGHGVGSOTRHN-UHFFFAOYSA-N
rxn:4:215106:225992,Cc1nn2c(c1-c1cn(CC(C)C)nc1C(F)(F)F)CN(C(=O)OC(C)(C)C)CC2,KDGIASRICPYGBL-UHFFFAOYSA-N
rxn:4:215143:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3S(=O)(=O)N3CCn4nc(C5CC5)cc4C3)c2)CC1,SSRWRWDEHAPOOY-UHFFFAOYSA-N
rxn:4:215146:226021,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4cc(Cl)ccc4OCC(F)(F)F)c3)c2C1,GJIWJGSGLBYAKX-UHFFFAOYSA-N
rxn:4:215201:226428,CC1CCCCN1c1csc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,IBVNYTPLEIEGDL-UHFFFAOYSA-N
rxn:4:215201:226446,Cc1nc(C2CCOC2)ccc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,KOFCEIXCGQPIPF-UHFFFAOYSA-N
rxn:4:215214:226739,CC(=O)c1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1[N+](=O)[O-],JQZJKKPOQBCHQP-UHFFFAOYSA-N
rxn:4:215214:228703,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cnn(C5CCC5)c4)n3C2)C1,WZIQUIOOTIABMV-UHFFFAOYSA-N
rxn:4:215309:223503,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cccc1-2,SWRMCXYQAWRHTK-SANMLTNESA-N
rxn:4:215679:223597,COc1c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)nnn1C1CCCC1,OBPCLMKJUOLPEU-UHFFFAOYSA-N
rxn:4:215738:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc([N+](=O)[O-])cc(N2CCOCC2)n1,ONRHHXDLPAHQLQ-UHFFFAOYSA-N
rxn:4:215766:223787,CN1CCN(CCCOc2ccc(-c3c(C(=O)N4CCOCC4)cnn3C)cc2F)CC1,HQAXOAILQZQWDB-UHFFFAOYSA-N
rxn:4:215785:223539,COc1ccc(-c2nnn(C3CCCCC3)c2OC)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BDPNVJUOAMIDDF-UHFFFAOYSA-N
rxn:4:215785:223687,COc1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nnn1C1CCCCC1,WXVOQYIVWODUTQ-UHFFFAOYSA-N
rxn:4:215848:224336,CS(=O)(=O)N1CCC(n2cc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)CC1,GWUNTOAJZOJTJT-UHFFFAOYSA-N
rxn:4:215852:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,KFYOFRIPNHNCEH-UHFFFAOYSA-N
rxn:4:215897:222729,CCCc1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc(C2CCCNC2)n1,WGNOCEBFEJORKH-UHFFFAOYSA-N
rxn:4:215935:224830,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1cc(C(F)(F)F)nn1C1CCCCO1,OTLKXOKJVBMGDI-UHFFFAOYSA-N
rxn:4:215955:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,GNTSHFUWFGWYMY-UHFFFAOYSA-N
rxn:4:215965:223841,Cc1cc(F)c(-c2cc(N3CCC(C)CC3)nc(C3CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,UDYDRTFPVMDJNE-UHFFFAOYSA-N
rxn:4:216146:223815,CN(C)S(=O)(=O)c1c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)nc2n1CCOC2,YHKWKNITOPSDEA-UHFFFAOYSA-N
rxn:4:216252:224769,CC(=O)N1CCc2c(c(-c3ccc(N4CCCC4)cc3C(F)(F)F)nn2C2CCOCC2)C1,ITGOJQPRDIJXQY-UHFFFAOYSA-N
rxn:4:216356:224672,CCN1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C3(CCN(C)CC3)O4)c(Cl)c2)CC1,FAEWLFFHPYGVIP-UHFFFAOYSA-N
rxn:4:216356:226498,CCN(CC)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1Cl,IVRRRORBQNLDIX-UHFFFAOYSA-N
rxn:4:216356:227499,CCN(C)c1cc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cnc1Cl,BMWSPFMSIXHIAW-UHFFFAOYSA-N
rxn:4:216356:227500,CCN(C)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)cc1Cl,YGVCUYJNZIMIED-UHFFFAOYSA-N
rxn:4:216772:223492,Cc1cc(-c2n[nH]c(C3CCCO3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GIQRPNCTIHOFGW-UHFFFAOYSA-N
rxn:4:217092:223588,Cc1cc(-c2ncn(C3CCCCC3)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KPVCDZZIUMIWJZ-UHFFFAOYSA-N
rxn:4:217094:223594,Cc1nnc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCCC1,KYJVYOQFAGANIZ-UHFFFAOYSA-N
rxn:4:217149:223659,C=C1CCCN(c2ncc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,HSEJNGDGNNPACZ-UHFFFAOYSA-N
rxn:4:217183:223671,CC1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)CC1,VUGQJPGTQOFLPH-UHFFFAOYSA-N
rxn:4:217209:223699,Cc1cc(N2CCCC(C)C2)nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)n1,HONMQKXSCQSFOZ-UHFFFAOYSA-N
rxn:4:217209:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc(C)cc(N4CCCC(C)C4)n3)c2)CC1,JTQRKYIGXCIWNV-UHFFFAOYSA-N
rxn:4:217792:223699,O=S(=O)(c1ccc(-c2csc3c(N4CCOCC4)nc(Cl)nc23)c(C(F)(F)F)c1)N1CCOCC1,IGMFGHVZGXNMIY-UHFFFAOYSA-N
rxn:4:217860:223482,CC(C)N1CCc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)nn2CC1=O,MAJPRKCRIASTSY-UHFFFAOYSA-N
rxn:4:217905:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)c1,HXVQREFAIGHHQE-UHFFFAOYSA-N
rxn:4:217907:223021,COCCNC(=O)c1cccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c1,VVIUZBSWUTVPCH-UHFFFAOYSA-N
rxn:4:218578:227991,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(Cl)cc3C3CC3)cn2)CC1,QAYJWMKVJJLZRG-UHFFFAOYSA-N
rxn:4:218600:224268,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cn2)CC1,BYYQSAZVRJDUKK-UHFFFAOYSA-N
rxn:4:218606:225172,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,OLISGYOETMEYEA-UHFFFAOYSA-N
rxn:4:218652:225287,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cn1,NPVPNRLCCXXGTL-UHFFFAOYSA-N
rxn:4:218655:223940,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)CC1,SBKBFQNTAPVNAK-UHFFFAOYSA-N
rxn:4:218681:229168,COc1nc(C)sc1-c1cnc(OCC2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)nc1,HNRKBXXTYCCBEJ-UHFFFAOYSA-N
rxn:4:218695:222629,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)c3C)CC2)cc1,ICELGLNWNCRNHT-UHFFFAOYSA-N
rxn:4:218695:227514,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4cc(Cl)nc(OC(C)C)c4)c3C)CC2)cc1,PYJMERRRMVOZAP-UHFFFAOYSA-N
rxn:4:218696:222967,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cccc(C(=O)NCC(C)C)c1,CPIANBOJGUSHIQ-UHFFFAOYSA-N
rxn:4:218699:223886,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cccc5c4CCN(C(=O)OC(C)(C)C)C5)c3)ccc2C#N)CC1,YAYPDJSOHBRIJG-UHFFFAOYSA-N
rxn:4:218699:226502,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccn(C(=O)OC(C)(C)C)c4)c3)ccc2C#N)CC1,IDZIQAKAEODFTH-UHFFFAOYSA-N
rxn:4:218714:226131,Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccccc4CN4CCCC4)c3C)CC2)c(C)c1,BEUFFMCHHXDRIR-UHFFFAOYSA-N
rxn:4:218746:222948,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)nnc3s2)C1,HLRFOEZHOMGLEQ-UHFFFAOYSA-N
rxn:4:218755:223581,COC(=O)c1cccc2cc(-c3cc4c(s3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n4CC#N)n(C(=O)OC(C)(C)C)c12,WXPSBCJFWMMJRJ-UHFFFAOYSA-N
rxn:4:218778:224356,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc5sc(Cl)cc5n4C(=O)OC(C)(C)C)cc(Cl)cc32)cc(C)c1F,MOCLNIOCZQHOOG-UHFFFAOYSA-N
rxn:4:218815:225222,CC1CCCCN1c1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)c(F)cn1,MYUCVDXPWUAFHH-UHFFFAOYSA-N
rxn:4:218886:223602,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,GTLJRUIGNCMGMJ-UHFFFAOYSA-N
rxn:4:218895:222546,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)C2)c1F,FXBGLTUIRWGCEG-UHFFFAOYSA-N
rxn:4:218895:223812,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)C2)c1F,HXCDVQCXBRXCJW-UHFFFAOYSA-N
rxn:4:218898:222634,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,RAYSJXNNOZOWJT-UHFFFAOYSA-N
rxn:4:218919:223590,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)C2)cn1,GUPNHFFNRXKOPX-UHFFFAOYSA-N
rxn:4:218943:222892,COc1cc(N2CCNCC2)ccc1-c1cnc(N(C)C2CCN(C(=O)OC(C)(C)C)C2)cn1,RTDQNCDTUURQLL-UHFFFAOYSA-N
rxn:4:218943:223534,CN(c1cnc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cn1)C1CCN(C(=O)OC(C)(C)C)C1,DHEXUSSMGRPWHT-UHFFFAOYSA-N
rxn:4:218965:223648,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IPFIFJHXLOLERP-UHFFFAOYSA-N
rxn:4:218965:223933,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cc2cc(F)ccc2n1C(=O)OC(C)(C)C,XJLMPYPWZRKGGI-UHFFFAOYSA-N
rxn:4:218971:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c2)CC1,GDHWLJYBQABXBR-UHFFFAOYSA-N
rxn:4:218971:224592,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)s1,RJAOVMGFKZKCIB-UHFFFAOYSA-N
rxn:4:218972:222584,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)s1,UYAIFWBBTZJJKG-UHFFFAOYSA-N
rxn:4:218972:223814,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cn3)C2)s1,SYXGXZVUSQHBNB-UHFFFAOYSA-N
rxn:4:218998:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2)CC1,BGGRBIFAWKROIZ-UHFFFAOYSA-N
rxn:4:219028:229155,CC1CN(C(=O)c2cnn(C)c2-c2cn(C3CC3)nn2)CCN1C(=O)OC(C)(C)C,XTQRJQKNNQQYKG-UHFFFAOYSA-N
rxn:4:219029:223777,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,RNIRPEOQGKIWQM-UHFFFAOYSA-N
rxn:4:219120:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XUCJPJZIEKAKPT-UHFFFAOYSA-N
rxn:4:219135:223187,CONS(=O)(=O)c1cccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)c1,RTWHUAWPXMMIAC-UHFFFAOYSA-N
rxn:4:219135:224493,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CO[Si](C)(C)C(C)(C)C)cc5)c4)C3C2=O)cc1,GQLXJHRZTDASLX-UHFFFAOYSA-N
rxn:4:219135:225200,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(F)c(OC6CCCC6)c5F)c4)C3C2=O)cc1,GYRVBVOPKQKDRA-UHFFFAOYSA-N
rxn:4:219135:226982,CCCCOc1ccccc1-c1cc(CN2N=NC3C(=O)N(c4ccc(OC)cc4)C(=O)C32)ccc1OC,CKZKVIMOFFANHO-UHFFFAOYSA-N
rxn:4:219155:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(C)cn5)C4)c3)cc2)CC1,ZRIVNYPFTBQBQG-PCIWAFLZSA-N
rxn:4:219184:222948,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc2)OC3)CC1,BGLVLCSIHWKHHC-UHFFFAOYSA-N
rxn:4:219207:225684,Cc1nc(C2CCOCC2)ccc1-c1ccc(-c2csc(N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)n2)cc1,XGGPETBXEXVWOU-UHFFFAOYSA-N
rxn:4:219334:225638,CC1CCN(c2ccc(-c3nnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,SDVPIRRXROJQSA-UHFFFAOYSA-N
rxn:4:219369:224688,Cn1c(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,IVIRHFKPKHBZKP-HXUWFJFHSA-N
rxn:4:219370:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2F)CC1,LBBAHRYDFBGPJK-UHFFFAOYSA-N
rxn:4:219371:223504,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)CC1,QTAPXYKBQXFZRA-UHFFFAOYSA-N
rxn:4:219371:224163,Cc1c(-c2nncn2C2CCN(C(=O)OC(C)(C)C)CC2)ccc2c1cnn2C1CCCCO1,FDLXZMUVOIYOMP-UHFFFAOYSA-N
rxn:4:219371:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,LVRIGTKCJMBLOQ-UHFFFAOYSA-N
rxn:4:219372:223592,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,RHAOSVLNVBLXHH-UHFFFAOYSA-N
rxn:4:219375:225661,Cc1cc(N2CCOCC2)ccc1-c1cn(C2CCCN(C(=O)OC(C)(C)C)C2)nn1,CDDGGCYYMJWLKW-UHFFFAOYSA-N
rxn:4:219381:222634,CSc1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,IEZUKNDOPAWFQE-UHFFFAOYSA-N
rxn:4:219381:224326,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,ZQUFGAKKTKGMOA-UHFFFAOYSA-N
rxn:4:219385:223671,CCc1ncnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1F,IUTDXHFNBRUQAX-UHFFFAOYSA-N
rxn:4:219389:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cccnc5)C4)nc3)cc2Cl)CC1,HPGXTOKRYZJGAU-UHFFFAOYSA-N
rxn:4:219401:226428,CC1CCCCN1c1csc(-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)c1,DKPJURXBTOXCRZ-UHFFFAOYSA-N
rxn:4:219403:225636,CC1CCN(c2cc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)ccn2)CC1,HAZUHNNDKKRRHQ-UHFFFAOYSA-N
rxn:4:219405:224398,Cc1cc(F)c(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1S(=O)(=O)N1CCCC1,BMLBENYWNXWFCQ-UHFFFAOYSA-N
rxn:4:219406:226042,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)n2)CC1,QPCJPGBVIPTLLU-UHFFFAOYSA-N
rxn:4:219452:225976,Cc1nc(-c2ccnc(N3CCOCC3)c2F)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,FOFPYQLFXILVMD-UHFFFAOYSA-N
rxn:4:219452:225992,Cc1nc(-c2cn(CC(C)C)nc2C(F)(F)F)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CYEZOGMYBRMLJC-UHFFFAOYSA-N
rxn:4:219456:223528,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,FWLAPSFGQFBDTO-UHFFFAOYSA-N
rxn:4:219457:226729,CC1CN(C(=O)OC(C)(C)C)CCC1n1cc(-c2cnc(OC3CCOC3)nc2)nn1,YWVHSFRCPJUDGB-UHFFFAOYSA-N
rxn:4:219463:222584,Cc1cc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccn1,FZLDRNLEOKZAMB-UHFFFAOYSA-N
rxn:4:219463:223904,Cc1cc(OCC2CCN(c3ncc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)cn3)CC2)ccn1,WQXACMHZZFARNE-UHFFFAOYSA-N
rxn:4:219468:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cnc(OC2CCN(C(=O)N3CCOCC3)CC2)nc1,RBWCUHQYLUFUEU-UHFFFAOYSA-N
rxn:4:219469:225361,CSc1ncc(-c2cn(C3CCCC3)nc2C(F)(F)F)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,GMGYICBHVZXRDZ-UHFFFAOYSA-N
rxn:4:219469:225991,CSc1ncc(-c2cc(C(F)(F)F)nn2CC(C)C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,XLAVRMHELGTCFR-UHFFFAOYSA-N
rxn:4:219469:228199,CSc1ncc(-c2cn(C3CCC3)nc2C)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,IICGAZDQNZYXSA-UHFFFAOYSA-N
rxn:4:219489:223602,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,ZWOULBZZLNZWAM-UHFFFAOYSA-N
rxn:4:219498:224400,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,IGWONSBRMSBTGK-UHFFFAOYSA-N
rxn:4:219498:225879,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCOCC2)cc1F,LWJBGLMQLLPPBI-UHFFFAOYSA-N
rxn:4:219498:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,FVJJVAYEZIYKQU-UHFFFAOYSA-N
rxn:4:219498:227958,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccnc(C2CCC2)c1,KTOMPHSEQXBMOC-UHFFFAOYSA-N
rxn:4:219533:224404,CSc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,OICSUSRWSUWKQF-UHFFFAOYSA-N
rxn:4:219546:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,YVVGTAIEKHJNGO-UHFFFAOYSA-N
rxn:4:219551:223056,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)CC2)C1=O,NHIVRCNIINTDON-UHFFFAOYSA-N
rxn:4:219551:225794,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(OC5CCCCC5)nc4)cn3)CC2)C1=O,SVSPLTFNHAABIX-UHFFFAOYSA-N
rxn:4:219654:223668,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCc5ccccc5)cc4OC(F)(F)F)cc23)CC1,PENMLUHWFSVOJU-UHFFFAOYSA-N
rxn:4:219687:223883,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)cc32)CC1,MJCWXZXGLFWDAZ-UHFFFAOYSA-N
rxn:4:219689:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)CC1,QEWHVUYNRDKYLZ-UHFFFAOYSA-N
rxn:4:219689:225979,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)n3c2)CC1,QHMAFFBLMOAJBW-UHFFFAOYSA-N
rxn:4:219690:225898,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4cnn(CCN5CCOCC5)c4)cc32)CC1,JONUNPARKGNKDK-UHFFFAOYSA-N
rxn:4:219691:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnn3c(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)c1,AXHJJTMIPQMUCL-UHFFFAOYSA-N
rxn:4:219692:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cc2)CC1,ZDGQPOUKXUCWOP-UHFFFAOYSA-N
rxn:4:219706:223106,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cnc(N5CCC(O)C5)nc4Cl)c(Cl)cc23)CC1,SIFAJNOINHRPPJ-UHFFFAOYSA-N
rxn:4:219706:223741,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cc(CN5CCCc6ccccc65)ccc4F)c(Cl)cc23)CC1,GTRGGJBHARATBU-UHFFFAOYSA-N
rxn:4:219706:224162,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)c(Cl)cc23)CC1,LZCIWULFQNSBSS-UHFFFAOYSA-N
rxn:4:219707:225975,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccnc(N5CCOCC5)c4Cl)c(Cl)cc23)CC1,WWZVQBAZIYXTOL-UHFFFAOYSA-N
rxn:4:219710:226021,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cc(Cl)ccc5OCC(F)(F)F)c(C)c4)C3C2=O)c1,VKQHGAHDCWSCEQ-UHFFFAOYSA-N
rxn:4:219710:226262,CCCCOc1cccc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)c1Cl,ODVMQRXBIIWZSR-UHFFFAOYSA-N
rxn:4:219750:225975,COc1ccc(-c2ccnc(N3CCOCC3)c2Cl)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,CBQFNVIDHBHOOU-UHFFFAOYSA-N
rxn:4:219878:223970,Cc1ccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,XTQZEQWDBQEXAW-UHFFFAOYSA-N
rxn:4:219878:224820,O=S(=O)(c1cccc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1)N1CCOCC1,MHJPWPVUXLOTMJ-UHFFFAOYSA-N
rxn:4:219904:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,ITAXYPBGPURIKX-UHFFFAOYSA-N
rxn:4:219950:223103,CSc1ncc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)c(N2CCN(C3CCC3)CC2)n1,LESYAPBVOREMHZ-UHFFFAOYSA-N
rxn:4:219955:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCSCC1,ALKGYMPOMJJXED-UHFFFAOYSA-N
rxn:4:219959:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1,GJYZWJOUEDUYKI-UHFFFAOYSA-N
rxn:4:219979:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3CN3CCN(c4nccc(C)n4)CC3)ccc2C)CC1,BLWTWMJVDYKIHM-UHFFFAOYSA-N
rxn:4:219980:223671,Cc1cc(N2CCN(Cc3ccccc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)ncn1,TYXZNDRAJMHOQH-UHFFFAOYSA-N
rxn:4:219988:222584,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1)N1CCOCC1,PMKJVLYTIFFBPG-UHFFFAOYSA-N
rxn:4:219988:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1OCC,ONZZRHGYWFCASG-UHFFFAOYSA-N
rxn:4:220018:223810,COCC(=O)N1CCn2nc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)nc2C1,CCUHYWJCQPRNFR-UHFFFAOYSA-N
rxn:4:220038:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,RXKZCWBZOLXZGN-UHFFFAOYSA-N
rxn:4:220039:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,QGGZUEGUWANXBP-UHFFFAOYSA-N
rxn:4:220039:224400,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2C1,GMARUZTTXFDENL-UHFFFAOYSA-N
rxn:4:220040:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nc2n(n1)CCN(C(=O)OC(C)(C)C)C2,ZHPDOHMPZPPGOO-UHFFFAOYSA-N
rxn:4:220069:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cn1,PEUKKJFTNCRLOJ-UHFFFAOYSA-N
rxn:4:220069:223883,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)n2CC1,ZQGOQGDUMLVBHO-UHFFFAOYSA-N
rxn:4:220069:224704,CC1CCN(c2cc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc(F)c2F)CC1,DKBGELSBBURCKP-UHFFFAOYSA-N
rxn:4:220205:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,YCSDTKFGDUOVKH-UHFFFAOYSA-N
rxn:4:220209:223810,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc(C)c1S(=O)(=O)N1CCC(C)CC1,AOCFJHHYEFPKAP-UHFFFAOYSA-N
rxn:4:220209:225743,COC(=O)Cc1ccc(OC)c(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,WUVNOIVMHQWNCA-UHFFFAOYSA-N
rxn:4:220356:223689,CCN1CCN(S(=O)(=O)c2cc(-c3nc([N+](=O)[O-])nn3C3CCCCC3)ccc2OC)CC1,DWIOAJBWVJXSQT-UHFFFAOYSA-N
rxn:4:220414:222522,COc1ccc(-c2cnc(N3CCN(C)CC3)c([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCC(O)CC1,BICNNQROLSJQLM-UHFFFAOYSA-N
rxn:4:220421:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCN(c5cccc(Cl)c5)CC4)nc3)cn2)CC1,DTRJWSNSYAXAEN-UHFFFAOYSA-N
rxn:4:220491:223844,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nc2C1,CRNCMOLPGBMCIB-UHFFFAOYSA-N
rxn:4:221107:225313,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(=O)c1C,DJKVJUVOUIWNRC-UHFFFAOYSA-N
rxn:4:221112:225869,CCOc1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,VYYMBTVIXHLJBB-UHFFFAOYSA-N
rxn:4:221112:227979,CCOc1ccc(-c2c(C)cc(C)cc2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,KVYJNZCLZALOPK-UHFFFAOYSA-N
rxn:4:221114:222621,CCOc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,IIIIXQFJOGEFNK-UHFFFAOYSA-N
rxn:4:221115:225978,CCOc1ccc(-c2ccc(N3CCOCC3)nc2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,KFSTYRNCKIGVKW-UHFFFAOYSA-N
rxn:4:221115:228157,CCOc1ccc(-c2ccc(OC)cc2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,TZUZXQMIQUIJBQ-UHFFFAOYSA-N
rxn:4:221152:223595,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)C1,SGWCPRUMVIPZEM-UHFFFAOYSA-N
rxn:4:221157:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,ZIBGUKRHQPFIHS-UHFFFAOYSA-N
rxn:4:221171:224758,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cn3)C2)c1F,PMQKQFYUCTZNHA-UHFFFAOYSA-N
rxn:4:221182:229061,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnn(C(C)C)c4)cn3)CC2)C1=O,LVYGUDXLDUPEQB-UHFFFAOYSA-N
rxn:4:221186:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)nc1,YFROHYZNQQSSTF-UHFFFAOYSA-N
rxn:4:221186:225876,CN(CC1CCN(c2ncc(-c3cc(Cl)ccc3N3CCOCC3)cn2)CC1)c1cc(C(F)(F)F)ccn1,UGMLFEWAHDFFMU-UHFFFAOYSA-N
rxn:4:221198:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)nc1,GXARKXNNQMYQSX-UHFFFAOYSA-N
rxn:4:221203:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,CQSKMFDWRZJRGP-UHFFFAOYSA-N
rxn:4:221203:223992,Cc1ccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KLKVIWCKBJYFKM-UHFFFAOYSA-N
rxn:4:221205:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1,WQPBEOXHEWWJKV-UHFFFAOYSA-N
rxn:4:221207:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,PBZXQDOAIBWYAA-UHFFFAOYSA-N
rxn:4:221207:226484,COCCOc1cc(Cl)ccc1-c1ccc(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1,CCAFVATZMNJIFR-UHFFFAOYSA-N
rxn:4:221209:225926,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3)CC2)n1,BMOSAIIZSVGDIG-UHFFFAOYSA-N
rxn:4:221232:222634,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C1)CCOC2,MGJYXKBSOJLPAV-UHFFFAOYSA-N
rxn:4:221249:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cnn4c3)cc2)CC1,ZFGUCPNHMQFCTP-UHFFFAOYSA-N
rxn:4:221264:225218,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCCC(C)C4)c(Cl)c3)cc2)n(C)c1=O,FNDWZTKIHALOIJ-UHFFFAOYSA-N
rxn:4:221371:222622,CCC(C)c1cc(-c2cc(C(F)(F)F)cnc2N2CCN(c3nccc(OC)n3)CC2)cc(C2CCCNC2)n1,DMTIDENPOLEUNP-UHFFFAOYSA-N
rxn:4:221373:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5c(C)n[nH]c5C)C4)nc3)c2)CC1,VNDLOYYLSNMEBX-UHFFFAOYSA-N
rxn:4:221374:223596,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1=O,SRTSPXFPIAKHHS-UHFFFAOYSA-N
rxn:4:221431:224597,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3-c3cc(C4CC4)cc(N4CCOCC4)c3)CC2)n1,DNDAXCJACDVBIE-UHFFFAOYSA-N
rxn:4:221453:225518,CCCCCOc1ncc(C)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,VBHUYBROBCQPMK-UHFFFAOYSA-N
rxn:4:221498:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2Cl)CC1,IVKSIBFTCJOWLP-UHFFFAOYSA-N
rxn:4:221498:224672,CCN1CCN(c2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c(Cl)c2)CC1,FTYXUBBVUUQWEK-UHFFFAOYSA-N
rxn:4:221499:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ncccn6)CC5)c4c3)cc2F)CC1,UUURUOABCQFTAB-UHFFFAOYSA-N
rxn:4:221572:225984,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,BRRLHRNKFPPQOA-UHFFFAOYSA-N
rxn:4:221599:223481,Cc1ccnc(N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cn3)C2)n1,RKODDNVREZCURC-UHFFFAOYSA-N
rxn:4:221640:223498,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)n1,NEIMBGMBXXIPSR-UHFFFAOYSA-N
rxn:4:221641:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)C1,WGXQCQCLRDZBDZ-UHFFFAOYSA-N
rxn:4:221642:227681,COC(Cn1cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)cn1)OC,FSHZEMWKWIGAJB-UHFFFAOYSA-N
rxn:4:221645:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc(C(F)(F)F)c2)CC1,GIHNOISWBIGYRJ-UHFFFAOYSA-N
rxn:4:221645:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,JVVGTYWVRSHYBA-UHFFFAOYSA-N
rxn:4:221723:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nc2)cc1Cl,IZYWYOQOCHSWCN-UHFFFAOYSA-N
rxn:4:221753:222634,CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCNC4CCCC4)c(F)c3)cc2)n(C)c1=O,QUCVRRRLKPHNBX-UHFFFAOYSA-N
rxn:4:221952:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)cc2)CC1,NVRJQWBJHNLMFB-DUYHBEBVSA-N
rxn:4:221953:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)C4)c3)cc2)CC1,MLQNFTDLLPSJCZ-UHFFFAOYSA-N
rxn:4:221972:224326,Cc1cc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)ccc1S(=O)(=O)N1CCCCC1,GMDGDUVLARJYNK-UHFFFAOYSA-N
rxn:4:221985:223648,Cn1cc(-c2nc3cnc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GOBUXBQKGWRAPM-HHHXNRCGSA-N
rxn:4:222021:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(CN(C)c5ncnc(C)c5F)CC4)nc3)cc2)CC1,KGHJSNOHOFAQDQ-UHFFFAOYSA-N
rxn:4:222044:223498,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)CC3)nn2)n1,WPWOGWPCAPJLOE-UHFFFAOYSA-N
rxn:4:222056:223844,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cn3)CC2)nc(C2CC2)n1,JFXYKMILHDPDAA-UHFFFAOYSA-N
rxn:4:222060:225118,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5nc(C)c(C)c5C)nn4)CC3)cc2)ccc1OC(C)C,GBOHDSNGVZZLMQ-UHFFFAOYSA-N
rxn:4:222168:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)cc2)C1,FBGRHYOWSVTLLV-UHFFFAOYSA-N
rxn:4:222193:225228,CN1CCN(c2ccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c(F)c2)CC1,CWFBKBVBDCCPKG-UHFFFAOYSA-N
rxn:4:222332:222722,O=S(=O)(c1cccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c1)N1CCC(O)CC1,GMPJILXAQXFOMW-UHFFFAOYSA-N
rxn:4:222388:203985,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,NFSMQNNBAMREKA-UHFFFAOYSA-N
rxn:4:222511:194250,O=C(NC1CCCCC1)c1cc(-c2ccc3c(c2)CN(CC(F)(F)F)C3=O)cc([N+](=O)[O-])c1,DPOMIPKHLSNPIG-UHFFFAOYSA-N
rxn:4:222731:174663,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1,HLGQISCGBYQBAD-JKUFBEDSSA-N
rxn:4:223540:206487,CCc1nc(N2CCOCC2)sc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,YLZOWPLHSMTASB-UHFFFAOYSA-N
rxn:5:177373:223010:222958,Cc1ccc(-c2ccc(OCC3OCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)cc1C1CCNCC1,DGTCGSUUQVYBPL-UHFFFAOYSA-N
rxn:5:177449:222960:223010,COc1cc(-c2cc(C)cc(C3CCNCC3)c2)c(-c2ccc(C3(O)CCOCC3)cc2)cc1OC(C)C,GIHIJDSEUNJMFL-UHFFFAOYSA-N
rxn:5:177731:223065:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1-c1ccc(N2CCNCC2)cc1F,HTLHHSCFBKMALZ-UHFFFAOYSA-N
rxn:5:177732:223062:226664,CC(C)(C)OC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCCC3)ncc2F)c1,FNUMTTJLMXXTMR-UHFFFAOYSA-N
rxn:5:177732:227444:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C(=O)OC(C)(C)C)ccc1-c1cncc(C2CCCO2)c1,BDMNFFFXLWURGC-UHFFFAOYSA-N
rxn:5:177733:226794:223061,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cc(C3CCNCC3)ncc2F)c1,OOLPHCYMDUYCAF-UHFFFAOYSA-N
rxn:5:177735:226420:222985,Cc1cc(C(=O)OC(C)C)cc(-c2ccc(F)c(N3CCCC3)c2)c1-c1ccc(C2CCCNC2)nc1C,WOZJBTRVOHYIRE-UHFFFAOYSA-N
rxn:5:177737:225833:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccnc(N2CCCCC2)c1F,PPSYGNZDJSICCQ-UHFFFAOYSA-N
rxn:5:177737:225834:226794,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1cc(N2CCCCC2)ncc1F,RDGGZUZWGYPPBK-UHFFFAOYSA-N
rxn:5:177738:223148:223010,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2ccccc2C2CNCCO2)cc1OC1CCC1,OSKXNKHSSNVTDL-UHFFFAOYSA-N
rxn:5:177739:223062:225784,CC(C)(C)OC(=O)c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(CN2CCOCC2)nc1,CAUWEXDFCUIAEO-UHFFFAOYSA-N
rxn:5:177850:223010:225394,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,LORSAGFVEGDLSF-UHFFFAOYSA-N
rxn:5:177850:223010:226060,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cc(C2CC2)cc(C2CC2)c1,HJGAIAPWIJZECF-UHFFFAOYSA-N
rxn:5:177850:223202:225592,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(F)ccc1CN1CCCC1,OMELXCFCEIVLEY-UHFFFAOYSA-N
rxn:5:177850:223202:225594,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(F)cc1CN1CCCC1,HSZFJBOYQNICKJ-UHFFFAOYSA-N
rxn:5:177850:223203:225592,CCOc1ccc(-c2cccc(C3(O)CCC3)c2)c(C2OCCO2)c1-c1cc(F)ccc1CN1CCCC1,DEMCMNWIYVFMHD-UHFFFAOYSA-N
rxn:5:177851:223189:226757,CCOc1c(-c2ccc(OC(F)(F)F)c(C)c2)cc(C2OCCO2)cc1-c1ccc(NS(C)(=O)=O)cc1F,VKBZZUIHOXENAN-UHFFFAOYSA-N
rxn:5:177891:225939:229049,CC(C)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc3n2CCC3)cnc1C(F)(F)F,YPDDCMZYDWUAGH-UHFFFAOYSA-N
rxn:5:177891:226774:228071,O=C(SC1CS(=O)(=O)CC1c1cccc2c1OCCO2)c1ccccc1-c1ccc(OC(F)=C(F)F)cc1,YVTPYBUBTSGACJ-UHFFFAOYSA-N
rxn:5:177891:226900:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,QZCBINXJBJKNBL-UHFFFAOYSA-N
rxn:5:177891:226900:228499,Cn1nc(C(F)(F)F)cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,UYTCNNBGWCROEB-UHFFFAOYSA-N
rxn:5:177891:226901:227999,CC(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1,BRGDXLZHJHLJOA-UHFFFAOYSA-N
rxn:5:177891:226901:228434,O=C(SC1CS(=O)(=O)CC1c1ccc(C(F)F)c(F)c1)c1ccccc1-c1cccc(S(F)(F)(F)(F)F)c1,BDWOIHMOABHNHA-UHFFFAOYSA-N
rxn:5:177891:227814:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccc(CC2CC2)cc1,LTJMZPOTZSWIRQ-UHFFFAOYSA-N
rxn:5:178118:225394:227569,COc1ccc(F)c(OC)c1-c1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(OCC2CCCCO2)c1,HFYVRPIZQZPAAC-UHFFFAOYSA-N
rxn:5:178120:227371:225799,COc1c(C)ccc(-c2cccc(OCC3CCOCC3)c2-c2cncc(OC3CCOCC3)c2)c1OC,RULZTCZISNUDBJ-UHFFFAOYSA-N
rxn:5:178121:225810:227662,COc1ccc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C)cc2C(F)(F)F)c(C2OCCO2)c1,VZICSNXKWGZXCH-UHFFFAOYSA-N
rxn:5:178122:225452:227349,COc1cc(C)cc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2COC2CCCCO2)c1OC,YTZXAUCHNUTPFW-UHFFFAOYSA-N
rxn:5:178122:225498:223010,OC1(c2ccc(-c3cc(-c4cc(C5CCCCC5)ccc4F)ccc3COC3CCCCO3)cc2)CCOCC1,YIHSOHGGGZPHJP-UHFFFAOYSA-N
rxn:5:178122:225499:223010,OC1(c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4F)ccc3COC3CCCCO3)cc2)CCOCC1,NYSVIOPUZDCGPU-UHFFFAOYSA-N
rxn:5:178122:225499:227569,COc1ccc(F)c(OC)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1COC1CCCCO1,ZZTIHRPMYINJCN-UHFFFAOYSA-N
rxn:5:178122:226783:226060,COc1cc(F)c(F)c(OC)c1-c1ccc(COC2CCCCO2)c(-c2cc(C3CC3)cc(C3CC3)c2)c1,DZXIMJFCFVAWPK-UHFFFAOYSA-N
rxn:5:178122:227079:223010,CC(C)Cc1ccc(F)c(-c2ccc(COC3CCCCO3)c(-c3ccc(C4(O)CCOCC4)cc3)c2)c1,HDSDRCNBZWDOJC-UHFFFAOYSA-N
rxn:5:178224:226599:226061,CCOc1c(F)cc(-c2cc(OCC3CCCCC3)cc(-c3cc(C(C)C)cc(C4CC4)c3)c2)c(C)c1F,VKPRYSFMOUGJEX-UHFFFAOYSA-N
rxn:5:178225:223010:227371,COc1c(C)ccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3(O)CCOCC3)cc2)c1OC,ZBIXSJWGPZLCEQ-UHFFFAOYSA-N
rxn:5:178225:226836:228199,Cc1nn(C2CCC2)cc1-c1c(OCC2CCCCC2)cccc1-c1cn(C(C)C)nc1C(F)(F)F,BGRXMZJBRPZZFQ-UHFFFAOYSA-N
rxn:5:178226:225498:227071,COCc1cc(C)c(-c2cccc(OCC3CCCCC3)c2-c2cc(C3CCCCC3)ccc2F)c(C)c1,TUAGZZDBIZONFC-UHFFFAOYSA-N
rxn:5:178226:225499:227071,COCc1cc(C)c(-c2cccc(OCC3CCCCC3)c2-c2ccc(C3CCCCC3)cc2F)c(C)c1,SSJQRKQWQHTQPI-UHFFFAOYSA-N
rxn:5:178226:226901:226900,FS(F)(F)(F)(F)c1ccc(-c2cccc(OCC3CCCCC3)c2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,QWMYVBQPHPVQIL-UHFFFAOYSA-N
rxn:5:178226:227501:225932,CN(C)c1ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(C=C[N+](=O)[O-])cc2)cc1C(F)(F)F,VIRHCTKIMYOETI-UHFFFAOYSA-N
rxn:5:178295:227206:227680,COC(=O)C1(c2cc(-c3cccc4c3OC(F)(F)O4)ccc2-c2ccc3c(c2C)COC3=O)CCC(=O)CC1,LLRBWUISFZNIIY-UHFFFAOYSA-N
rxn:5:178313:223189:225585,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(NS(C)(=O)=O)cc2F)c(-c2ccccc2CN2CCOCC2)c1,LPSDJGWOHKNSHL-UHFFFAOYSA-N
rxn:5:178313:225470:225618,CC1CCN(c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3-c3cccc(OC4CCCCO4)c3)cc2)CC1,PNVSSNKEIRNLFN-UHFFFAOYSA-N
rxn:5:178313:225499:226913,CCc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)cc(C2CC2)c1,HGYYJQZGHHAKRZ-UHFFFAOYSA-N
rxn:5:178314:227387:225625,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccnc(N3CCCC3)c2)ccc1-c1cc(OC2CCCC2)ccc1F,UVZVNLDBSFEXIA-UHFFFAOYSA-N
rxn:5:178314:227540:225447,COc1c(F)cc(SC)cc1-c1ccc(-c2ccc(OC3CCCCC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,XLPVHLJGXLFNKI-UHFFFAOYSA-N
rxn:5:178315:225498:227054,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)ccc1C1CC1,JPOPPNMTTNCTEL-UHFFFAOYSA-N
rxn:5:178315:225499:227054,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C4CCCCC4)cc3F)c2)ccc1C1CC1,PQWIFOLOGMDUHI-UHFFFAOYSA-N
rxn:5:178315:225587:226432,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(CN3CCOCC3)c2)cc(-c2ccc(C3CCCC3)nc2F)c1,WCRVXJCNGDPBIZ-UHFFFAOYSA-N
rxn:5:178315:227560:223007,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(F)cc(C4CCNCC4)c3)c2)cc1C(F)F,OECKBNKPAGROCH-UHFFFAOYSA-N
rxn:5:178368:226067:226142,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(OC4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(C2=CCCCC2)cc1,ZXVCMCYRCPASAS-UHFFFAOYSA-N
rxn:5:178466:223062:223061,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,HJUMWKDTAUQZJN-UHFFFAOYSA-N
rxn:5:178466:223063:225980,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IOGGDFVUSGQXHS-UHFFFAOYSA-N
rxn:5:178466:225976:225982,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,FGRGROIJRWPUPR-UHFFFAOYSA-N
rxn:5:178467:223058:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,TXILBDNFVJWAKP-UHFFFAOYSA-N
rxn:5:178467:223062:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ZOWUCHVRXVELQU-UHFFFAOYSA-N
rxn:5:178467:223139:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,XNXDZFJUXFWNMW-UHFFFAOYSA-N
rxn:5:178467:225655:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,ANRCXFOZAGSTIB-UHFFFAOYSA-N
rxn:5:178467:225833:228878,CCOC(=O)C1=Cc2cc(-c3cnn(C4COC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,YASKEPFQGULHCU-UHFFFAOYSA-N
rxn:5:178467:225980:228703,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,NYTFUFMISTYBAF-UHFFFAOYSA-N
rxn:5:178467:226366:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,RLBIAMGAGXYNST-UHFFFAOYSA-N
rxn:5:178467:226644:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,JXNGLPKMBBBBAB-UHFFFAOYSA-N
rxn:5:178467:227376:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,HFEVGCQXBKRXRE-UHFFFAOYSA-N
rxn:5:178467:227968:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnccc3C3CCC3)c2OC1,RGKJGHGYSYHODO-UHFFFAOYSA-N
rxn:5:178556:226064:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)c(COc2ccc3c(c2)C(=O)CCC3)c1,OAVAAIWKBLVUCG-UHFFFAOYSA-N
rxn:5:180022:225394:225498,COc1c(-c2cc(C3CCCCC3)ccc2F)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,RZSIEMNSDRCFKQ-UHFFFAOYSA-N
rxn:5:180022:225514:225884,COc1c(-c2ccc(C3COCCO3)c(F)c2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,LVTOVAFMQJXCQD-UHFFFAOYSA-N
rxn:5:180022:225514:226179,COc1c(-c2cncc(C3CCCCC3)c2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,RBAJSMJQVQXQEB-UHFFFAOYSA-N
rxn:5:180022:225597:226061,COc1c(-c2cc(C(C)C)cc(C3CC3)c2)ccc(-c2ccc(OC3CCCCC3)nc2)c1C1OCCO1,JCIFJXPHCWDXPG-UHFFFAOYSA-N
rxn:5:180022:225656:223136,COc1c(-c2ccncc2C2CCCNC2)ccc(-c2cncc(N3CCCCC3C)c2)c1C1OCCO1,RUYIUDREAOTSHF-UHFFFAOYSA-N
rxn:5:180022:225674:225671,COc1c(-c2cc(C3CCCCC3)ncc2F)ccc(-c2cnc(C3CCCCC3)cc2F)c1C1OCCO1,MLVLHQYCXVYOOG-UHFFFAOYSA-N
rxn:5:180022:226064:225515,COc1c(-c2cccc3c2OCC(C)(C)CO3)ccc(-c2ccc(C3CCCCC3)cc2)c1C1OCCO1,XDUBCKOCYVZAIP-UHFFFAOYSA-N
rxn:5:180022:227119:225514,COc1c(-c2cccc3c2OCC2(CC2)CO3)ccc(-c2cc(C3CCCCC3)cs2)c1C1OCCO1,VVNXRGOWYWEOLT-UHFFFAOYSA-N
rxn:5:180022:227449:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,USIUEIPFPKTLDV-UHFFFAOYSA-N
rxn:5:180022:227449:225514,COc1c(-c2cccc3c2OCC2(CC2)CO3)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,VZKNDMBPTNDRQK-UHFFFAOYSA-N
rxn:5:180098:226044:225931,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)cc1OC1CCCC1,JMYVGTZKNLDBEV-UHFFFAOYSA-N
rxn:5:180297:223146:226147,COc1cc(-c2cccc(C3CNCCO3)c2)c(C2(C)OCCO2)cc1-c1c(C)cc(OC(C)C)cc1C,GJRXRFCMPLEMCB-UHFFFAOYSA-N
rxn:5:180297:223146:226662,COc1cc(-c2cccc(C3CNCCO3)c2)c(C2(C)OCCO2)cc1-c1ccc(N2CCN(C)CC2)s1,BAQJOLRXRBJUQI-UHFFFAOYSA-N
rxn:5:180297:225453:227371,COc1cc(-c2cccc(SC3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(C)c(OC)c1OC,MCVULBVIJQIEEK-UHFFFAOYSA-N
rxn:5:180297:225677:226374,COc1cc(-c2ccc(C3CCCCC3)nc2F)c(C2(C)OCCO2)cc1-c1cncnc1C1CCCCC1,UXNTUTKLWVQOHN-UHFFFAOYSA-N
rxn:5:180297:225926:227498,COc1cc(N(C)C)ncc1-c1cc(C2(C)OCCO2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1OC,LSERQGHRXDFIPL-UHFFFAOYSA-N
rxn:5:180402:225871:227205,O=C(c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc2c1OCCCO2)C1CCCCC1,MUDIQXUITZTRTG-UHFFFAOYSA-N
rxn:5:180421:225499:226152,COc1cc(C2CC2)cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(C3CCCCC3)cc2F)c1C,LVFJPMZEWDRJOJ-UHFFFAOYSA-N
rxn:5:180421:225884:226464,COc1ccc2c(c1-c1ccc(CC3CCCCC3)cc1-c1ccc(C3COCCO3)c(F)c1)OCCO2,TVOQOEHJSLQUHI-UHFFFAOYSA-N
rxn:5:180421:226464:225884,COc1ccc2c(c1-c1cc(CC3CCCCC3)ccc1-c1ccc(C3COCCO3)c(F)c1)OCCO2,RSUXIGZOXBFFEQ-UHFFFAOYSA-N
rxn:5:180506:225515:228177,COCc1ccc(F)cc1-c1c(-c2cccc3c2OCC(C)(C)CO3)cc(C(C)(C)C)cc1C1OCCO1,OQJSKLKETKKVNS-UHFFFAOYSA-N
rxn:5:180506:225515:228181,COCc1cc(F)ccc1-c1c(-c2cccc3c2OCC(C)(C)CO3)cc(C(C)(C)C)cc1C1OCCO1,RTOXIAHCWQUBMN-UHFFFAOYSA-N
rxn:5:180506:228680:226029,CCCn1nc(C)cc1-c1cc(C(C)(C)C)cc(C2OCCO2)c1-c1c(F)c(F)c(OCC)c(F)c1F,ODZCFSVAMBEOTE-UHFFFAOYSA-N
rxn:5:180602:225833:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,FUQWNOSWWVMQJV-UHFFFAOYSA-N
rxn:5:180602:225976:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,SWOHNLFDEJZHPO-UHFFFAOYSA-N
rxn:5:180662:223138:226181,COC(=O)C1=Cc2cc(-c3ccc(C4=CCCCC4)nc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,ODFKNSNCRUKZAI-UHFFFAOYSA-N
rxn:5:180662:227680:226033,COC(=O)C1=Cc2cc(-c3cc(OC)c(F)c(C(F)(F)F)c3)cc(-c3cccc4c3OC(F)(F)O4)c2OC1,VLUYGCMHOQMHKZ-UHFFFAOYSA-N
rxn:5:182951:225832:226836,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)c2c1OCCC2=O,ZNOUZSBVOYTWBJ-UHFFFAOYSA-N
rxn:5:182953:225832:225834,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cc(N3CCCCC3)ncc2F)ccc2c1OCCC2=O,OVDQPRQTECUYDO-UHFFFAOYSA-N
rxn:5:188396:225832:226837,CCOC(=O)c1cc(-c2c(C)nn(CC(F)(F)F)c2C)nc(-c2c(C)nn(C3CCCCO3)c2C)c1,HPROGCDUXXWDSH-UHFFFAOYSA-N
rxn:5:188458:226841:223061,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2cnc(C(F)(F)F)c(OC)c2)cc1[N+](=O)[O-],WSPAWZPJTCBFHT-UHFFFAOYSA-N
rxn:5:188596:225592:225625,CCOc1c(-c2cc(F)ccc2CN2CCCC2)cc(-c2cc(OC3CCCC3)ccc2F)cc1[N+](=O)[O-],ADXSOIYJXLLALN-UHFFFAOYSA-N
rxn:5:188930:227088:225800,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C)nc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCSC2)cc1,YFUUTVQQMPKWPF-UHFFFAOYSA-N
rxn:5:188930:227766:225935,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(C(C)C)nc(C(F)(F)F)c2)c(C(=O)OC)cc1S(N)(=O)=O,UHTMEIMDIITUMI-UHFFFAOYSA-N
rxn:5:189207:225453:228895,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1ccc([N+](=O)[O-])cc1,SPRQBHJEVKTLBB-UHFFFAOYSA-N
rxn:5:189207:226174:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCCC3)nc2)ccc1-c1ccc(C=C[N+](=O)[O-])cc1,SONIKVYFLDUFIA-UHFFFAOYSA-N
rxn:5:189207:226185:228479,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCOCC3)cc2)ccc1-c1ccc(F)c([N+](=O)[O-])c1,ATFLOYMMXUDVAR-UHFFFAOYSA-N
rxn:5:189207:226185:228871,COC(=O)c1ccsc1-c1ccc(-c2ccc(C3CCOCC3)cc2)cc1C(=O)ON1C(=O)CCC1=O,KYVYNYRWTXKZQZ-UHFFFAOYSA-N
rxn:5:189207:226187:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCOCC3)c2)ccc1-c1cccc2c1C(=O)CCC2,TWSHNKLJAPNNOK-UHFFFAOYSA-N
rxn:5:189207:226411:227656,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1cc(N2CCOCC2)cs1,IVMSBZQJJZQBLZ-UHFFFAOYSA-N
rxn:5:189207:226769:227680,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3cccc4c3OC(F)(F)O4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,DWUQSLFDOCHASD-UHFFFAOYSA-N
rxn:5:189207:226837:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2c(C)nn(CC(F)(F)F)c2C)cc1C(=O)ON1C(=O)CCC1=O,DBIRDSZWUWVJOZ-UHFFFAOYSA-N
rxn:5:189207:226899:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1cccc2c1COC2=O,DVJUPZRQXRJWRS-UHFFFAOYSA-N
rxn:5:189207:226980:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3cccc4c3C(=O)CCC4)cc2C(=O)ON2C(=O)CCC2=O)c1,YEBMXUNSOMOWBO-UHFFFAOYSA-N
rxn:5:189207:226980:228210,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1ccc(N2CCCC2)s1,BIYSAKIAKUJRNX-UHFFFAOYSA-N
rxn:5:189207:227119:228079,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(C3CCCCC3)cs2)ccc1-c1cccc2c1COC2=O,LOMZGCLQBRLVCQ-UHFFFAOYSA-N
rxn:5:189207:227203:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1,BMKFDPGPOIYJPU-UHFFFAOYSA-N
rxn:5:189207:227205:226835,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cccc3c2OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,XNNMSROAWNROCM-UHFFFAOYSA-N
rxn:5:189207:227403:228872,COC(=O)c1sccc1-c1ccc(-c2ccc(N3CCCCC3)s2)cc1C(=O)ON1C(=O)CCC1=O,FJPWBAWOPYRRMF-UHFFFAOYSA-N
rxn:5:189207:227452:226333,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3OCCO3)c2)ccc1-c1cccc(C(=O)N2CCC2)c1,TXSYNLNZFZRYRM-UHFFFAOYSA-N
rxn:5:189207:227505:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,RCGMHJFTFALPBE-SAPNQHFASA-N
rxn:5:189207:227679:226319,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1ccc(C(=O)N2CCC2)cc1,KJLIBNGPXDDVSL-UHFFFAOYSA-N
rxn:5:189207:228066:225818,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OCCO3)ccc1-c1ccc(C(F)(F)F)cc1C1CC1,BAIIOXRIBUXRCQ-UHFFFAOYSA-N
rxn:5:189207:228066:226769,COC(=O)c1cc(F)c(F)c(-c2ccc(-c3ccc4c(c3)OCCO4)cc2C(=O)ON2C(=O)CCC2=O)c1,HSGVDGBNWSUOLX-UHFFFAOYSA-N
rxn:5:189207:228150:225873,COC(=O)c1ccc(-c2ccc(-c3cccc(N4CCOCC4=O)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,WVCHNSDYYNYWFR-UHFFFAOYSA-N
rxn:5:189207:228229:226415,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccn(C3CC3)c(=O)c2)ccc1-c1ccccc1N1CCOCC1,ATBZHXNZRDHETA-UHFFFAOYSA-N
rxn:5:189207:228511:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CC3)cc2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,WICWGUCKIOYCGB-UHFFFAOYSA-N
rxn:5:189207:228895:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1-c1cccc(N2CCOCC2=O)c1,MCSHEGYIEOPYSO-UHFFFAOYSA-N
rxn:5:189208:223439:226835,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1C(=O)ON1C(=O)CCC1=O,SBTCMFURGNEJGI-UHFFFAOYSA-N
rxn:5:189208:225407:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1-c1cccc(N2CCOCC2=O)c1,MPPAVWUXRULHTF-UHFFFAOYSA-N
rxn:5:189208:225583:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1cccc2c1C(=O)CCC2,LCRDPAQHONFSDF-UHFFFAOYSA-N
rxn:5:189208:225583:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1,CGISVYODHVOVEW-SAPNQHFASA-N
rxn:5:189208:225583:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1cccc2c1COC2=O,OFNYANQAWMHLCF-UHFFFAOYSA-N
rxn:5:189208:225584:228866,COCc1noc(C)c1-c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,IJKMBCLQOFMGAS-UHFFFAOYSA-N
rxn:5:189208:226186:223388,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C2CCOCC2)cc1-c1ccc(S(=O)(=O)O)cc1,KMPAKIWWEQZEHP-UHFFFAOYSA-N
rxn:5:189208:226333:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCC3)c2)cc1-c1cccc(C(=O)N2CCCC2)c1,IPMFZLPODKHHHX-UHFFFAOYSA-N
rxn:5:189208:226415:228150,COC(=O)c1ccc(-c2cc(-c3ccccc3N3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,HCVZCBIOIGGRSZ-UHFFFAOYSA-N
rxn:5:189208:226415:228872,COC(=O)c1sccc1-c1cc(-c2ccccc2N2CCOCC2)ccc1C(=O)ON1C(=O)CCC1=O,OSEKZUNAEVUCBG-UHFFFAOYSA-N
rxn:5:189208:226469:226155,CC(=O)c1cc(-c2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccc2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,JUKCWVOSZUHDLG-UHFFFAOYSA-N
rxn:5:189208:227115:227020,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cncc(C#CC4CC4)c3)c2)c(F)cc1C1CC1,WORHWORCDHBDSU-UHFFFAOYSA-N
rxn:5:189208:227197:227103,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4sccc4C4CCCCC4)c3)cc2C1=O,RMOQFVWAFJXSNY-UHFFFAOYSA-N
rxn:5:189208:227386:227187,CN1Cc2c(cccc2-c2cc(-c3cnn(C4CCCCC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)C1=O,AHOHKGMTWYYEPE-UHFFFAOYSA-N
rxn:5:189208:227804:228078,O=C1OCc2cc(-c3cc(-c4cc([N+](=O)[O-])sc4[N+](=O)[O-])ccc3C(=O)ON3C(=O)CCC3=O)ccc21,OFVQIEHXJYAIEV-UHFFFAOYSA-N
rxn:5:189208:228079:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1ccccc1C(=O)N1CCC1,QKLRMFMWAGJOID-UHFFFAOYSA-N
rxn:5:189208:228340:226084,COc1nc(C2CC2)sc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc3c(c2)C(=O)CCCC3)c1,UBYLNXDJAFUBLU-UHFFFAOYSA-N
rxn:5:189208:228484:227449,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1-c1ccc(C2CCOCC2)s1,OHMAKULRXUWSSM-UHFFFAOYSA-N
rxn:5:189208:229089:225407,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(C3CCCCCC3)cc2)c1,RFLBCOSVAXDOGW-UHFFFAOYSA-N
rxn:5:189208:229091:225470,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(N3CCC(C)CC3)cc2)c1,MDXBMYWVZYCCKJ-UHFFFAOYSA-N
rxn:5:189209:225584:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2cccc(N3CCOCC3=O)c2)c1,DDSQFSNLQVYEIL-UHFFFAOYSA-N
rxn:5:189209:225584:228895,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2ccc([N+](=O)[O-])cc2)c1,KIDBFMUDOYCJFJ-UHFFFAOYSA-N
rxn:5:189209:226186:226413,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3)c2)cc(-c2ccccc2C2CCOCC2)c1,QAPFTSCIWTYMPQ-UHFFFAOYSA-N
rxn:5:189209:226319:227992,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(-c2ccc(C3COC3)cc2)c1,OHXUUVOHXMIKQG-UHFFFAOYSA-N
rxn:5:189209:227089:227505,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(-c2ccncc2C2CCCC2)c1,GTHRNQKIERYVNV-WYMLVPIESA-N
rxn:5:189209:227449:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C=C[N+](=O)[O-])cc2)cc(-c2ccc(C3CCOCC3)s2)c1,UIOLPLWORWEFDK-UHFFFAOYSA-N
rxn:5:189209:228077:225498,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)C(=O)OC3)cc(-c2cc(C3CCCCC3)ccc2F)c1,JNMDXKUPSZAZOD-UHFFFAOYSA-N
rxn:5:189210:223389:228498,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2cn(C)nc2C(F)(F)F)c1C(=O)ON1C(=O)CCC1=O,BCMLJELDELAJDQ-UHFFFAOYSA-N
rxn:5:189210:225472:229091,CC(=O)c1occc1-c1cccc(-c2cccc(N3CCCCC3C)c2)c1C(=O)ON1C(=O)CCC1=O,REFPVWWLDGLTSA-UHFFFAOYSA-N
rxn:5:189210:225583:227197,CN1Cc2ccc(-c3cccc(-c4cccc(C(=O)N5CCCC5)c4)c3C(=O)ON3C(=O)CCC3=O)cc2C1=O,XBIDNRGJZASPQN-UHFFFAOYSA-N
rxn:5:189210:225584:227452,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C(=O)N3CCCC3)cc2)cccc1-c1cccc(C2OCCO2)c1,WYNFUWJVMPXLLB-UHFFFAOYSA-N
rxn:5:189210:225616:225986,O=C(ON1C(=O)CCC1=O)c1c(-c2ccccc2C(=O)N2CCCC2)cccc1-c1ccccc1N1CCCS1(=O)=O,QEUXDFPIXYVQHU-UHFFFAOYSA-N
rxn:5:189210:225871:228540,O=C(ON1C(=O)CCC1=O)c1c(-c2cccc(N3C(=O)C=CC3=O)c2)cccc1-c1cccc2c1COC2,MPQCQPCHZZQVRJ-UHFFFAOYSA-N
rxn:5:189210:226084:225583,O=C1CCCCc2ccc(-c3cccc(-c4cccc(C(=O)N5CCCC5)c4)c3C(=O)ON3C(=O)CCC3=O)cc21,MLXMPAGMCYZVFG-UHFFFAOYSA-N
rxn:5:189210:226084:226084,O=C1CCCCc2ccc(-c3cccc(-c4ccc5c(c4)C(=O)CCCC5)c3C(=O)ON3C(=O)CCC3=O)cc21,NKPJHVLKIHVIIF-UHFFFAOYSA-N
rxn:5:189210:226084:226211,CC(=O)N1CCc2cc(-c3cccc(-c4ccc5c(c4)C(=O)CCCC5)c3C(=O)ON3C(=O)CCC3=O)ccc21,OADSZQARROFUON-UHFFFAOYSA-N
rxn:5:189210:226652:228916,COc1cnc(F)cc1-c1cccc(-c2cc(C)nn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,KAXVAKYXUFUSTL-UHFFFAOYSA-N
rxn:5:189210:226686:228927,COc1nccc(F)c1-c1cccc(-c2c(C)cnn2C2CCCCO2)c1C(=O)ON1C(=O)CCC1=O,DVZBXMVXTHZILE-UHFFFAOYSA-N
rxn:5:189210:226783:227205,COc1cc(F)c(F)c(OC)c1-c1cccc(-c2cccc3c2OCCCO3)c1C(=O)ON1C(=O)CCC1=O,GIEYCWPARYFIKL-UHFFFAOYSA-N
rxn:5:189210:228077:226444,Cc1nc(C2CCCO2)ccc1-c1cccc(-c2ccc3c(c2)C(=O)OC3)c1C(=O)ON1C(=O)CCC1=O,DKZINZRPVDARSZ-UHFFFAOYSA-N
rxn:5:189210:228343:227680,COC(=O)c1sc(-c2cccc(-c3cccc4c3OC(F)(F)O4)c2C(=O)ON2C(=O)CCC2=O)cc1C,DVEIWURDHSERLT-UHFFFAOYSA-N
rxn:5:189211:225407:228602,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3CCCCCC3)cc2)cc1,LFOSAYZSQSOHIO-UHFFFAOYSA-N
rxn:5:189211:225449:228602,CC(=O)c1ccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(OC3CCCCC3)c2)cc1,UNFKIXAKUWAFST-UHFFFAOYSA-N
rxn:5:189211:225616:228895,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccc([N+](=O)[O-])cc1,HLBCHIYZLMPOHK-UHFFFAOYSA-N
rxn:5:189211:226319:226333,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1cccc(C(=O)N2CCC2)c1,IMIUWPFRMONEIR-UHFFFAOYSA-N
rxn:5:189211:226415:228247,CC(=O)c1ccc(F)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2N2CCOCC2)c1,NOJPIGJRSKYMNB-UHFFFAOYSA-N
rxn:5:189211:226886:228071,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c1-c1cccc2c1OCCO2,BOTUNSSYOFHLGS-UHFFFAOYSA-N
rxn:5:189211:227452:227703,COC(=O)c1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(C3OCCO3)c2)cnc1F,BVKOBWUSWSPDHL-UHFFFAOYSA-N
rxn:5:189211:227507:227103,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1-c1sccc1C1CCCCC1,FCSSSNASCICBCP-UHFFFAOYSA-N
rxn:5:189211:227679:226186,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1-c1ccccc1C1CCOCC1,KLIFNYWJKFETQT-UHFFFAOYSA-N
rxn:5:189211:227863:226084,O=C1CCCCc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc4c(c3)CCCO4)cc21,IYWJTNLGKWAZKD-UHFFFAOYSA-N
rxn:5:189211:228079:226464,COc1ccc2c(c1-c1c(C(=O)ON3C(=O)CCC3=O)cccc1-c1cccc3c1COC3=O)OCCO2,WIIVWNALLXEECL-UHFFFAOYSA-N
rxn:5:189211:228151:226185,COC(=O)c1cccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(C3CCOCC3)cc2)c1,XBXOVBFTIUZFTP-UHFFFAOYSA-N
rxn:5:189211:228895:222990,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(N2CCC(O)CC2)cc1,INOXVHCETZYKDB-UHFFFAOYSA-N
rxn:5:189211:228976:225943,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc3c(c2)C=C3)c1-c1ccc(C(=O)N2CCOCC2)s1,ZCODGAVEJGYABB-UHFFFAOYSA-N
rxn:5:189212:223358:226411,CC(=O)Nc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)cc1,FFARLZOQKJQJQN-UHFFFAOYSA-N
rxn:5:189212:223389:227737,Cc1cc(C(F)(F)F)ncc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1c(C)n[nH]c1C(F)(F)F,ARKFIYGJGNIIKX-UHFFFAOYSA-N
rxn:5:189212:225623:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cccc(OC3CCOCC3)c2)c1,XBXYEIZWILFYSU-UHFFFAOYSA-N
rxn:5:189212:225871:227082,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCCC2)c(-c2cccc(N3C(=O)C=CC3=O)c2)c1,JUWZBGYOQNATCI-UHFFFAOYSA-N
rxn:5:189212:226197:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(C3CCCOC3)cc2)c1,LIVQDEUUIKATDV-UHFFFAOYSA-N
rxn:5:189212:226415:226966,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)CCC3)c(-c2ccccc2N2CCOCC2)c1,ZODWJCRYSFOVQS-UHFFFAOYSA-N
rxn:5:189212:226899:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,DVPNDDHONCYJBE-UHFFFAOYSA-N
rxn:5:189212:226980:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2cccc3c2C(=O)CCC3)c1,SRCJGWFBNQAEJM-UHFFFAOYSA-N
rxn:5:189212:227125:227778,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cc(F)cc(F)c2[N+](=O)[O-])c(-c2ccccc2C2CCOC2)c1,RGMJKSGQRWTLFP-UHFFFAOYSA-N
rxn:5:189212:227197:227764,CN1Cc2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cc(F)c(C(F)F)c(F)c3)cc2C1=O,WRUOXCZVTWZGLJ-UHFFFAOYSA-N
rxn:5:189212:227205:226760,COC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc3c2OCCCO3)cc(F)c1F,DKXDCDUCTKDQJS-UHFFFAOYSA-N
rxn:5:189212:227329:226969,COc1ccc(C(C)=O)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc2c(c1)CCCC2=O,LEFYHMVGXRYGIY-UHFFFAOYSA-N
rxn:5:189212:227386:228148,COc1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnn(C3CCCCC3)c2)c1OC,XOZQOJLCUURJBC-UHFFFAOYSA-N
rxn:5:189212:227679:226738,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])c1,IQVYWRPKKUIUNX-UHFFFAOYSA-N
rxn:5:189212:227824:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc(C3CCC3)cc2)c1,RDHPYKCCMMURPC-UHFFFAOYSA-N
rxn:5:189212:228077:225616,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CCCC2)c(-c2ccc3c(c2)C(=O)OC3)c1,ZNPICFIBGMFVJP-UHFFFAOYSA-N
rxn:5:189212:228077:226211,CC(=O)N1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc4c(c3)C(=O)OC4)ccc21,VTZQZZKVBLXYBE-UHFFFAOYSA-N
rxn:5:189212:228450:226774,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(OC(F)=C(F)F)cc2)c(F)c(F)c1F,LYKIVYQVSYAOMC-UHFFFAOYSA-N
rxn:5:189212:228514:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cccc(C3CC3)c2)c1,VHDSVCUQCIQTCC-UHFFFAOYSA-N
rxn:5:189212:229016:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccsc2C2CC2)c1,DHDAQCDHBJKLMI-UHFFFAOYSA-N
rxn:5:189319:226848:225585,COc1ccc(-c2ccc(-c3ccccc3CN3CCOCC3)nc2C(=O)OC(C)(C)C)c(C(F)(F)F)n1,AUTSGOBDCFZFIR-UHFFFAOYSA-N
rxn:5:189319:226854:226662,COc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)nc2C(=O)OC(C)(C)C)c1[N+](=O)[O-],HYVXMBCRBBNQKP-UHFFFAOYSA-N
rxn:5:189449:226325:226586,COC1CN(C(=O)c2cc(-c3ccnc(OC4CCOC4)c3)ccc2-c2ccc(C(C)(C)C#N)cc2F)C1,OXNYWEVIQPKJEI-UHFFFAOYSA-N
rxn:5:189449:226856:226826,COc1cnc(C(F)(F)F)cc1-c1ccc(-c2cc(C)cc(C(F)(F)F)c2F)cc1C(=O)N1CC(OC)C1,YADCKSDKQOUWHS-UHFFFAOYSA-N
rxn:5:189540:225514:226710,COC1CN(Cc2cc(-c3cccc4c3OCC3(CC3)CO4)ccc2-c2ccc(F)c([Si](C)(C)C)c2F)C1,KPFOGIBARQXNRT-UHFFFAOYSA-N
rxn:5:189540:225515:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC(C)(C)CO4)cc1CN1CC(OC)C1)OCCO2,ICNJBRYVAUHCOC-UHFFFAOYSA-N
rxn:5:189540:226464:225515,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC(C)(C)CO4)c(CN3CC(OC)C3)c1)OCCO2,LWENSBBCGANDDN-UHFFFAOYSA-N
rxn:5:189667:225784:227047,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(CN3CCOCC3)nc2)cc(-c2cccc(SC3CCC3)c2)c1,YKSZQTSPTPTRNV-AXWDEXGUSA-N
rxn:5:189671:222987:226041,Cc1nc(C2CCNCC2)ccc1-c1cccc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)c1/C=N/S(=O)C(C)(C)C,WORCUTZPVZGOHV-KVAAJVFYSA-N
rxn:5:189671:227058:223065,COc1ccc(C2CC2)cc1-c1cccc(-c2ccc(N3CCNCC3)cc2F)c1/C=N/S(=O)C(C)(C)C,BPHVJNMMHCDMNI-QXUDOOCXSA-N
rxn:5:189675:226836:228100,CCCn1nc(C)c(-c2ccc(-c3cn(C(C)C)nc3C(F)(F)F)c(/C=N/S(=O)C(C)(C)C)c2)c1C,LZPOAUSUPGLQIM-AMVVHIIESA-N
rxn:5:189718:223189:227892,CN(C)Cc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(NS(C)(=O)=O)cc2F)cc1,WBDSFKMTOVKCRA-UHFFFAOYSA-N
rxn:5:189718:226215:227906,CCC(C)c1ncccc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc2c(c1)CC/C2=N\OC,RIXQQSOYJHACOL-QVAGMWBUSA-N
rxn:5:189718:227713:225945,O=[N+]([O-])c1cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c(-c2cc(F)ccc2OC(F)F)cc1OC1CCOCC1,VXUOMYRDSFKTJC-UHFFFAOYSA-N
rxn:5:189718:227829:226149,COc1ccc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccccc2C2CCC2)cc1C(C)(C)C,WLFCGTSVINGRSV-UHFFFAOYSA-N
rxn:5:189718:228826:225585,Cc1cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccccc2CN2CCOCC2)c(F)cc1F,PFYSKSCEGSAVNE-UHFFFAOYSA-N
rxn:5:189777:225576:225461,Cc1cc(N2CCCCC2)ccc1-c1ccc(CCN2CCCC2)c(-c2ccc(N3CCCC3)c(C#N)c2)c1,HZZOBTDGKOYLGX-UHFFFAOYSA-N
rxn:5:189829:222409:227498,COc1cc(N(C)C)ncc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c1OC,PWHKIFWLMBJOBU-UHFFFAOYSA-N
rxn:5:189829:222993:227985,COc1c(-c2cccc(N3CCCCC3O)c2)cc(C(=O)N2CCCC2)cc1-c1ccc(F)c(C(C)C)c1,SLCKRKHIAVBIFP-UHFFFAOYSA-N
rxn:5:189909:225803:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(CCN4CCOCC4)c3)cc21,CPCGFGFVIPGGHM-UHFFFAOYSA-N
rxn:5:189909:226794:226664,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2cnc(N3CCSCC3)nc2)c(CCN2CCOCC2)c1,QGOPFSWEWVIPME-UHFFFAOYSA-N
rxn:5:189909:227387:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccnc(N3CCCC3)c2)c(CCN2CCOCC2)c1,YVNUUCYGXIVZOA-UHFFFAOYSA-N
rxn:5:189910:227020:225849,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2cncc(C#CC3CC3)c2)cc1CCN1CCOCC1,ZQUGDBCSCAVKSQ-UHFFFAOYSA-N
rxn:5:189952:223062:225978,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,IJRSIVIJHFDEKY-UHFFFAOYSA-N
rxn:5:189952:225849:225833,COc1c(-c2cnc(N3CCCCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1F,PFTBNABCOXJJBR-UHFFFAOYSA-N
rxn:5:189952:226148:227710,COc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C(=O)N2CCOCC2)cc1-c1cccc(C#C[Si](C)(C)C)c1,GATHEUIEHVFXSG-UHFFFAOYSA-N
rxn:5:189952:227023:226849,COc1nccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(C(C)N(C)C)cc3)c2OC)c1C(F)(F)F,BQTJGMDQVCGLSJ-UHFFFAOYSA-N
rxn:5:189952:227197:226154,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc3c(c2)C(=O)N(C)C3)c1OC,SIQZMMOBRUVTEQ-UHFFFAOYSA-N
rxn:5:190000:225616:226917,Cc1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccccc3C(=O)N3CCCC3)c2)cc(C(C)(C)C)c1,POACDAOIFNMRLN-UHFFFAOYSA-N
rxn:5:190000:226596:227667,CC(=O)c1ccc(F)c(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(F)c(OC(C)C)c3F)c2)c1F,YBFUJBACBJVVHV-UHFFFAOYSA-N
rxn:5:190000:226837:223438,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn[nH]c2C(F)(F)F)ccc1CC(=O)N1CCCCC1,LUCHKGTURPJKND-UHFFFAOYSA-N
rxn:5:190000:228500:225440,N#CC1(c2ccc(-c3ccc(CC(=O)N4CCCCC4)c(-c4cnc(C(F)(F)F)nc4)c3)cc2)CCCC1,IQDQHPRQCKLXDP-UHFFFAOYSA-N
rxn:5:190001:225942:227875,CC(C)c1ncc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc3c2CCCO3)cc1C(F)(F)F,SJJKASYGSMPSPW-UHFFFAOYSA-N
rxn:5:190001:226760:227203,COC(=O)c1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc3c(c2)OCCCO3)cc(F)c1F,RLWMPZUAJBTOAE-UHFFFAOYSA-N
rxn:5:190001:228653:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1cnn2c1CCCC2,TXZCLOOKGXGBSR-UHFFFAOYSA-N
rxn:5:190127:226146:228148,COc1cccc(-c2ccc(-c3ccc(SC4CCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)c1OC,WGASZSAATUTXOJ-UHFFFAOYSA-N
rxn:5:190127:226335:227166,COC1CCN(C(=O)c2cc(-c3ccc(C4COC4)c(C#N)c3)ccc2-c2ccc3c(c2)OCCN3C)CC1,XOOBLANMSVXDGT-UHFFFAOYSA-N
rxn:5:190127:227713:226899,COC1CCN(C(=O)c2cc(-c3cc(F)ccc3OC(F)F)ccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,LDKZHURIGJICFL-UHFFFAOYSA-N
rxn:5:190128:225465:227058,COc1ccc(C2CC2)cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1cccc(C2CCN(C)CC2)c1,WFMQTTGIUCPKGQ-UHFFFAOYSA-N
rxn:5:190128:225594:225441,COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3CN3CCCC3)c(-c3cc(C4CC4)cnc3C(C)(C)C)c2)CC1,BCGKAWNBVVSTGL-UHFFFAOYSA-N
rxn:5:190128:226911:227536,CCOc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2c(CC)cc(C)cc2CC)c(F)cc1F,NOPQYWZWDWHJLX-UHFFFAOYSA-N
rxn:5:190128:227690:227498,COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1cnc(N(C)C)cc1OC,JPCVQPRVFOSGHK-UHFFFAOYSA-N
rxn:5:190131:223066:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc3c(C(=O)OC)n[nH]c3c2)c1OC,SDSUZNDOQAESDQ-UHFFFAOYSA-N
rxn:5:190131:225930:228700,COc1c(-c2ccc(N(C)C)nc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C)ccc1S(=O)(=O)N(C)C,VGFTWFYDPRMCSL-UHFFFAOYSA-N
rxn:5:190131:226652:229168,COc1nc(C)sc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(C)nn2C2CCCCO2)c1OC,HMJXJGIMMBBNIM-UHFFFAOYSA-N
rxn:5:190131:226778:227863,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc4c(c3)CCCO4)c2OC)c(F)c(F)c1OC,RCCZTFBNGXQIPP-UHFFFAOYSA-N
rxn:5:190132:226146:228148,COc1cccc(-c2cc(-c3ccc(SC4CCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)c1OC,XXGHGPVUQXIENO-UHFFFAOYSA-N
rxn:5:190177:226901:223143,O=C1CC(Sc2ccc(-c3cccc(N4CCC(O)C4)c3)cc2)C(=O)N1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1,QORKMIQEKXNUEN-UHFFFAOYSA-N
rxn:5:190194:223313:225515,COC1CCN(Cc2cccc(-c3ccc(C4(O)CC4)cc3)c2-c2cccc3c2OCC(C)(C)CO3)CC1,WJAAWTRHJQATIC-UHFFFAOYSA-N
rxn:5:190194:226464:227166,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1ccc3c(c1)OCCN3C)OCCO2,GIWABZZDVIRWMT-UHFFFAOYSA-N
rxn:5:190194:227203:226710,COC1CCN(Cc2cccc(-c3ccc4c(c3)OCCCO4)c2-c2ccc(F)c([Si](C)(C)C)c2F)CC1,GXKRGSAUROVHAY-UHFFFAOYSA-N
rxn:5:190194:227205:226710,COC1CCN(Cc2cccc(-c3cccc4c3OCCCO4)c2-c2ccc(F)c([Si](C)(C)C)c2F)CC1,GGOQYCFYSLTUQY-UHFFFAOYSA-N
rxn:5:190194:227976:225515,COC1CCN(Cc2cccc(-c3ccc([Si](C)(C)C)cc3)c2-c2cccc3c2OCC(C)(C)CO3)CC1,GCXZKGRFKUDZFM-UHFFFAOYSA-N
rxn:5:190194:227976:225976,COC1CCN(Cc2cccc(-c3ccc([Si](C)(C)C)cc3)c2-c2ccnc(N3CCOCC3)c2F)CC1,QSZMJHCVCZSWDV-UHFFFAOYSA-N
rxn:5:190195:222417:225976,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DUAOJBLGZNLBAD-UHFFFAOYSA-N
rxn:5:190195:225803:223113,CN(Cc1ccc(-c2ccnc(OC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,QKABQFOTFXRHHD-UHFFFAOYSA-N
rxn:5:190195:226059:226826,Cc1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2ccc(C(C)C)cc2C(C)C)c(F)c(C(F)(F)F)c1,VYMFHLVDUNCQJM-UHFFFAOYSA-N
rxn:5:190196:225804:227692,COc1c(-c2cc(-c3ccc(C(=O)N4CCC4)c(F)c3)ccc2CN(C)C2CCOCC2)cccc1[N+](=O)[O-],GDQYTJGSJRQYPV-UHFFFAOYSA-N
rxn:5:190197:226042:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1,CPBNUWJXVVCGSV-UHFFFAOYSA-N
rxn:5:190197:226052:228263,CN(Cc1ccc(-c2ccc(C(C)(F)F)cc2)cc1-c1c(F)ccc(OC(F)(F)F)c1F)C1CCOCC1,RZHRCGMQAYPIEP-UHFFFAOYSA-N
rxn:5:190199:225803:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(OC2CCOCC2)c1)C1CCOCC1,MJEGIGBWVGWRKE-UHFFFAOYSA-N
rxn:5:190199:227203:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)OCCCO4)c(CN(C)C3CCOCC3)c1)OCCO2,RBOXVSGREUVUNJ-UHFFFAOYSA-N
rxn:5:190200:227342:226032,COC(=O)c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(OC)cc(C(F)(F)F)c3F)c2)cc1C,MHJYMTUGNZGKKH-UHFFFAOYSA-N
rxn:5:190200:227705:225585,COc1cc(C(F)F)ncc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccccc2CN2CCOCC2)c1,YKBUCLOEEGEKSC-UHFFFAOYSA-N
rxn:5:190231:227020:227020,COc1c(-c2cncc(C#CC3CC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cncc(C#CC2CC2)c1,XMABXMDVBZCTCX-UHFFFAOYSA-N
rxn:5:190231:227503:225935,COc1c(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(OC(C)C)ncc1F,ZZIFXKAYUAYPIV-UHFFFAOYSA-N
rxn:5:190231:228123:227625,CCOc1cncc(C)c1-c1cc(C(=O)N2CCOC(C)C2)cc(-c2cnc(C3CCCO3)nc2)c1OC,ISCNDVWBLRAVBN-UHFFFAOYSA-N
rxn:5:190264:223341:226886,CC1CCN(C(=O)Cc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(-c3ccc4c(c3)CC(=O)N4)c2)CC1,WVARFDONOWRUMU-UHFFFAOYSA-N
rxn:5:190264:226835:229048,CC1CCN(C(=O)Cc2ccc(-c3cnn4c3CCC4)c(-c3cc(C(F)(F)F)nn3C(C)C)c2)CC1,ULGLGZUWKQVJBI-UHFFFAOYSA-N
rxn:5:190264:226900:227895,CC1CCN(C(=O)Cc2ccc(-c3ccc(C=CC#N)cc3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)CC1,JLIUYZLDUCTECH-UHFFFAOYSA-N
rxn:5:190264:227766:223389,CCn1nc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1c(C)n[nH]c1C(F)(F)F,QPGTVWXNJHFXPC-UHFFFAOYSA-N
rxn:5:190265:223010:225880,CC1CCCN(C(=O)Cc2ccc(-c3cc(C4CCOCC4)ncc3F)c(-c3ccc(C4(O)CCOCC4)cc3)c2)C1,JHLUQFPPIDOHND-UHFFFAOYSA-N
rxn:5:190265:226900:228344,CC1CCCN(C(=O)Cc2ccc(-c3ccc(SC(F)F)cc3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,GLTJSRMYDFNXKH-UHFFFAOYSA-N
rxn:5:190265:227361:226916,COc1cc(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2cccc(C3=CCCC3)c2)c(OC)cc1C,UAEFMTJYWNUTFS-UHFFFAOYSA-N
rxn:5:190265:227563:226900,CC1CCCN(C(=O)Cc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(-c3cccc(CC(F)(F)F)c3)c2)C1,MUXDJLJSADXVMV-UHFFFAOYSA-N
rxn:5:190299:222409:223283,CNc1ccc(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccc(OC)c(S(N)(=O)=O)c5)ccc4OC)C3=O)cc2)cc1[N+](=O)[O-],AFBRXOIUVDHBFQ-UHFFFAOYSA-N
rxn:5:190299:223189:228483,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3F)cc2)C1=O,HQNPXWQQFLDBBD-UHFFFAOYSA-N
rxn:5:190299:223284:227688,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3cc([N+](=O)[O-])ccc3OC)cc2)C1=O,XZKAWYJNPAZLMJ-UHFFFAOYSA-N
rxn:5:190299:223285:227683,COc1ccc(-c2ccccc2NS(C)(=O)=O)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C#N)cc3[N+](=O)[O-])cc2)C1=O,JGRUATKUYUEONH-UHFFFAOYSA-N
rxn:5:190299:223295:227683,COc1ccc(-c2cncc(NS(C)(=O)=O)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C#N)cc3[N+](=O)[O-])cc2)C1=O,FKVILVHVJUJYLJ-UHFFFAOYSA-N
rxn:5:190299:223388:223189,COc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)C1=O,PMAXLWHBDHSIHC-UHFFFAOYSA-N
rxn:5:190299:226959:227770,COc1ccc(-c2ccc3c(c2)CC(C)(C)O3)cc1C=C1SC(=O)N(c2ccc(-c3cnc(OC)c([N+](=O)[O-])c3)cc2)C1=O,VUDPEHFQAKVAKS-UHFFFAOYSA-N
rxn:5:190299:227682:223285,COc1ccc(-c2cc(C#N)cc([N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccccc3NS(C)(=O)=O)cc2)C1=O,BKUZJKACJPKGMZ-UHFFFAOYSA-N
rxn:5:190299:227683:223285,COc1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccccc3NS(C)(=O)=O)cc2)C1=O,RFAZVXBMUUEOIG-UHFFFAOYSA-N
rxn:5:190299:227683:223286,COc1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)C1=O,QVQVDNINXONMOO-UHFFFAOYSA-N
rxn:5:190299:227683:223295,COc1ccc(-c2ccc(C#N)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3cncc(NS(C)(=O)=O)c3)cc2)C1=O,RYIANOSQQIVGBT-UHFFFAOYSA-N
rxn:5:190299:228186:225932,COc1ccc(-c2cccc(SC)c2OC)cc1C=C1SC(=O)N(c2ccc(-c3ccc(N(C)C)c(C(F)(F)F)c3)cc2)C1=O,RHZGJTOUVHYRAW-UHFFFAOYSA-N
rxn:5:190299:228473:223189,COc1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)C1=O,CHGGTLCHUOEDHU-UHFFFAOYSA-N
rxn:5:190299:228483:223189,COc1ccc(-c2ccc([N+](=O)[O-])cc2F)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)C1=O,JEAZDRAYKAPHLE-UHFFFAOYSA-N
rxn:5:190299:228488:223189,COc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3F)cc2)C1=O,SICLHHXDZDPWDN-UHFFFAOYSA-N
rxn:5:190336:222414:227328,COc1c(-c2cc(F)cc(OC(C)C)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(C)ccc1S(N)(=O)=O,AEXLOVOYXLYFPG-UHFFFAOYSA-N
rxn:5:190336:225576:227795,COc1c(-c2ccc(N3CCCC3)c(C#N)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc(F)c([N+](=O)[O-])c1F,DGQDZDJGZOYNFQ-UHFFFAOYSA-N
rxn:5:190336:228325:227066,COc1cc(OC)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cccc(C(=O)C4CC4)c3)c2OC)cn1,RZULRDMZMJPRKH-UHFFFAOYSA-N
rxn:5:190337:225499:226597,COc1c(-c2cc(F)c(OC(C)C)c(F)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCCCC2)cc1F,RBKQOMDWXZSCGX-UHFFFAOYSA-N
rxn:5:190337:225588:226037,COc1c(-c2ccccc2CN2CCSCC2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(C(F)(F)F)c(OC)c1F,NIGBOSAJOVPNDS-UHFFFAOYSA-N
rxn:5:190337:225592:228578,COc1c(-c2ccc(C3CC3)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(F)ccc1CN1CCCC1,PGDKOHJTHLRGGG-UHFFFAOYSA-N
rxn:5:190337:225594:229198,COc1c(-c2ccc(F)cc2CN2CCCC2)cc(C(=O)N2CCC(C)CC2)cc1-c1cnc(F)nc1F,XJYYMOHHSOFTRR-UHFFFAOYSA-N
rxn:5:190337:226841:222984,COc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2OC)cnc1C(F)(F)F,DSTOIUBPAZIDOE-UHFFFAOYSA-N
rxn:5:190484:226900:228509,CC(C)c1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(S(F)(F)(F)(F)F)cc4)c3)CCS2(=O)=O)cc1,ZHNSDHCWOVKNIW-UHFFFAOYSA-N
rxn:5:190484:227071:228416,COCc1cc(C)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(F)cc(F)cc4OC)S(=O)(=O)CC3)c2)c(C)c1,ODZWHSZWQZMVNG-UHFFFAOYSA-N
rxn:5:190484:227748:225634,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(F)c(C(F)(F)F)c4)c3)CCS2(=O)=O)cnc1N1CCCCC1,XWFYGEHNLUABBW-UHFFFAOYSA-N
rxn:5:190740:225655:225633,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(N2CCCCCC2)nc1,DTBFIVRSPMLHOF-UHFFFAOYSA-N
rxn:5:190740:225833:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cnc(C2CCNCC2)cc1F,ABFRACFFCFRMTF-UHFFFAOYSA-N
rxn:5:190740:225834:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,KMHOJFZRLYJWFK-UHFFFAOYSA-N
rxn:5:190740:225976:223056,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,KHMOGKWLURVHBX-UHFFFAOYSA-N
rxn:5:190741:223061:223064,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,RMYRUXAUCWQPFJ-UHFFFAOYSA-N
rxn:5:190741:225833:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,QQVDTZAWHJEELZ-UHFFFAOYSA-N
rxn:5:190741:225980:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,RWVKYKWUUNBDTN-UHFFFAOYSA-N
rxn:5:190742:223061:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,AYTLABNIHADPCA-UHFFFAOYSA-N
rxn:5:190742:225655:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1cc(N2CCCCC2)ncc1F,OYRLVALDJZTDFE-UHFFFAOYSA-N
rxn:5:190743:223056:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,SCMGETJPXXMMNP-UHFFFAOYSA-N
rxn:5:190743:223056:225980,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IDJYQBNAJASIDY-UHFFFAOYSA-N
rxn:5:190743:223064:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,VPBMENBAUAZQNJ-UHFFFAOYSA-N
rxn:5:190743:225849:225982,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,GTUASUYWNXRIPP-UHFFFAOYSA-N
rxn:5:190743:226662:226045,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1ccc(C(F)(F)C(F)(F)F)nc1,GNOJNLOXSQPKMN-UHFFFAOYSA-N
rxn:5:190744:223065:223056,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,ASTXXBSTROAEJE-UHFFFAOYSA-N
rxn:5:190744:225976:223064,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,MQAIDXWXWRVPMP-UHFFFAOYSA-N
rxn:5:190796:225611:223002,COc1cc(N2CCCC2)ccc1-c1cn(C(=O)OC(C)(C)C)c2cccc(-c3ccc(C4CCNCC4)cc3F)c12,XNBWANSPXOJYAN-UHFFFAOYSA-N
rxn:5:190832:223141:223064,CCOC(=O)c1cnc2cc(C)c(-c3cncc(C4CCNCC4)c3)c(C)c2c1-c1ccc(C2CCNCC2)nc1F,ICOVDNXRLQWEFI-UHFFFAOYSA-N
rxn:5:190833:228199:228653,Cc1nn(C2CCC2)cc1-c1ccc(-c2cnn3c2CCCC3)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,GTOADZGWINGDPZ-UHFFFAOYSA-N
rxn:5:190993:226781:223082,CNS(=O)(=O)c1c(C)cc(-c2ccc(CCN3Cc4cc(-c5cc(C)cc(OC(F)(F)F)c5)ccc4OCC3=O)cc2)cc1C,NMHHPNUJZJNKHV-UHFFFAOYSA-N
rxn:5:190998:222984:228574,COC(=O)c1cc(-c2ccc(C)cc2C#N)ccc1N1Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)ccc2OCC1=O,PXXFZDUQMWTZKY-UHFFFAOYSA-N
rxn:5:190998:222998:228575,COC(=O)c1cc(-c2ccc(C#N)c(C)c2)ccc1N1Cc2cc(-c3cc(F)cc(C4CCCNC4)c3)ccc2OCC1=O,XLDJJAZAMFBCGF-UHFFFAOYSA-N
rxn:5:191049:225987:226468,COc1cc(N2Cc3cc(-c4ccc(N5CCCS5(=O)=O)cc4)ccc3OCC2=O)c(OC)cc1-c1cccc2c1OCC(=O)N2C,PQXFKZJTHUPDHP-UHFFFAOYSA-N
rxn:5:191049:226322:227736,COc1cc(N2Cc3cc(-c4ccc(C(=O)N(C)C)cc4C)ccc3OCC2=O)c(OC)cc1-c1cc(C(F)(F)F)cnc1C,WDXDREYEPVRUPZ-UHFFFAOYSA-N
rxn:5:191766:225437:225607,COc1c(-c2cccc(CN3CCCCC3)c2)ccc(-c2ccc(C(C)N3CCCCC3)s2)c1[N+](=O)[O-],ICHHUSCNEQPAMW-UHFFFAOYSA-N
rxn:5:192563:225924:225441,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(C(=O)N2CCC2)cc(-c2cc(C3CC3)cnc2C(C)(C)C)c1,AAZATQBJVIPSLP-UHFFFAOYSA-N
rxn:5:193046:226030:227766,CCn1nc(C(F)(F)F)cc1-c1c(-c2cc(F)c(OC)c(C(F)(F)F)c2)cc(C(C)(C)C)cc1[N+](=O)[O-],TZPAEKAGPUVGGN-UHFFFAOYSA-N
rxn:5:193046:226835:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cc(C(F)(F)F)nn2C(C)C)cc(C(C)(C)C)cc1[N+](=O)[O-],OGPJOVQRKQPUBH-UHFFFAOYSA-N
rxn:5:193052:226152:225985,COc1cc(C2CC2)cc(-c2ccc(C(=O)N3CCCC3)c(-c3cccc(N4CCCS4(=O)=O)c3)c2)c1C,LZXIZLYOXOHVSB-UHFFFAOYSA-N
rxn:5:193226:223006:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)ccc3-c3ccc(F)c(C4CCNCC4)c3)c2)CC1,PCBQARFSTJBESI-UHFFFAOYSA-N
rxn:5:193226:225655:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)cc(F)n1,ZQFOAKGYSFSEDR-UHFFFAOYSA-N
rxn:5:193226:225833:225833,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccnc(N3CCCCC3)c2F)c1)N1CCOCC1,IZHQMMHRDGRDHJ-UHFFFAOYSA-N
rxn:5:193226:226588:225784,O=C(c1ccc(-c2cc(OC3CCC3)ncc2F)c(-c2ccc(CN3CCOCC3)nc2)c1)N1CCOCC1,YFGOEHSDXJXHNP-UHFFFAOYSA-N
rxn:5:193227:225976:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccnc(N5CCOCC5)c4F)c3)c2)CC1,HXJDZCLBHVKKSM-UHFFFAOYSA-N
rxn:5:193227:226044:226318,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(C(=O)N2CCOCC2)cc(-c2cc(C3CC3)nc(N(C)C)c2)c1,BIAVYENJYSGURQ-UHFFFAOYSA-N
rxn:5:193229:226332:225986,O=C(c1ccccc1-c1cccc(C(=O)N2CCOCC2)c1-c1ccccc1N1CCCS1(=O)=O)N1CCC1,QFEUUWQUTJWTCR-UHFFFAOYSA-N
rxn:5:193229:226644:225980,O=C(c1cccc(-c2cncc(N3CCOCC3)c2)c1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,CFTZAONMQXRBPQ-UHFFFAOYSA-N
rxn:5:193230:223065:226644,O=C(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,XJSQZORABRLROE-UHFFFAOYSA-N
rxn:5:193331:222983:226464,COc1ccc2c(c1-c1cc(-c3cccc(CN4CCC(O)C4)c3)ccc1CN1CCOCC1)OCCO2,QRPLIQKEUDLQFM-UHFFFAOYSA-N
rxn:5:193331:225515:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCC(C)(C)CO4)ccc1CN1CCOCC1)OCCO2,OJLJAORPFZZHID-UHFFFAOYSA-N
rxn:5:193332:225456:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3ccc(C4CCN(C)CC4)cc3)c1)OCCO2,QOGHMKOCAMEGHC-UHFFFAOYSA-N
rxn:5:193332:225515:226464,COc1ccc2c(c1-c1ccc(CN3CCOCC3)c(-c3cccc4c3OCC(C)(C)CO4)c1)OCCO2,NAWCOSKRTLZTMD-UHFFFAOYSA-N
rxn:5:193334:222983:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1cccc(CN3CCC(O)C3)c1)OCCO2,FAYSDGMFPLOEGH-UHFFFAOYSA-N
rxn:5:193334:225631:226464,COc1ccc2c(c1-c1cccc(CN3CCOCC3)c1-c1ccc(N3CCN(C)CC3)cc1)OCCO2,KVGQNPYZNOQONZ-UHFFFAOYSA-N
rxn:5:193335:225515:226464,COc1ccc2c(c1-c1cccc(-c3cccc4c3OCC(C)(C)CO4)c1CN1CCOCC1)OCCO2,ZBOGWPFXCWGQSR-UHFFFAOYSA-N
rxn:5:193337:222983:226464,COc1ccc2c(c1-c1ccc(-c3cccc(CN4CCC(O)C4)c3)cc1CN1CCOCC1)OCCO2,KPXBYDJFROJQRT-UHFFFAOYSA-N
rxn:5:193337:222984:226464,COc1ccc2c(c1-c1ccc(-c3ccc(CN4CCC(O)C4)cc3)cc1CN1CCOCC1)OCCO2,VDOZWHMQGKBRRM-UHFFFAOYSA-N
rxn:5:193337:225515:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC(C)(C)CO4)cc1CN1CCOCC1)OCCO2,HHWIHSDUUVQJOF-UHFFFAOYSA-N
rxn:5:193337:226464:225515,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCC(C)(C)CO4)c(CN3CCOCC3)c1)OCCO2,JBFXSSDILNSCDE-UHFFFAOYSA-N
rxn:5:193338:222983:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3cccc(CN4CCC(O)C4)c3)c1)OCCO2,DKTPAEQRSFCEEI-UHFFFAOYSA-N
rxn:5:193338:225515:226464,COc1ccc2c(c1-c1cc(CN3CCOCC3)cc(-c3cccc4c3OCC(C)(C)CO4)c1)OCCO2,VMCAICOKNHAIAD-UHFFFAOYSA-N
rxn:5:193382:222420:226652,Cc1cc(-c2cc(-c3ccccc3S(N)(=O)=O)ccc2S(=O)(=O)N2CCOCC2)n(C2CCCCO2)n1,MRARYXXILXBQKG-UHFFFAOYSA-N
rxn:5:193382:222982:225985,O=S1(=O)CCCN1c1cccc(-c2cc(-c3ccc(CN4CC[C@@H](O)C4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1,IPPHIGPXLJVVEO-MUUNZHRXSA-N
rxn:5:193382:223064:228712,O=S(=O)(c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccnn1C1CCC1)N1CCOCC1,AMDGIIFRWMLCNE-UHFFFAOYSA-N
rxn:5:193382:223388:226654,CC1CCN(c2nc(-c3cc(-c4ccc(S(=O)(=O)O)cc4)ccc3S(=O)(=O)N3CCOCC3)cs2)CC1,ZRVWYUBAPCIFBQ-UHFFFAOYSA-N
rxn:5:193382:225452:227592,COc1cc(F)cc(-c2cc(-c3ccc(OC4C=CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)c1OC,PIDITZGOLPYJEC-UHFFFAOYSA-N
rxn:5:193382:225986:225987,O=S1(=O)CCCN1c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2S(=O)(=O)N2CCOCC2)cc1,ONYCWSQQVBBBJD-UHFFFAOYSA-N
rxn:5:193382:226835:223439,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(C(F)(F)F)[nH]n2)c1,KKAYDKAKXRGENI-UHFFFAOYSA-N
rxn:5:193382:227205:226899,O=[N+]([O-])c1ccc(-c2cc(-c3cccc4c3OCCCO4)ccc2S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1,TZMIYCYIAXBHEO-UHFFFAOYSA-N
rxn:5:193382:228191:225849,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(N4CCCCC4)cc3F)c2)cnc1N(C)C,HOGACLFYGXIQJB-UHFFFAOYSA-N
rxn:5:193382:228191:225982,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(N4CCOCC4)cc3F)c2)cnc1N(C)C,JBDQTXWIIZVGQB-UHFFFAOYSA-N
rxn:5:193461:225611:225441,COc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCCCC2)c(-c2cc(C3CC3)cnc2C(C)(C)C)c1,ICZMIYXPFIJYMD-UHFFFAOYSA-N
rxn:5:193462:226040:227682,Cc1c(-c2ccc(-c3cc(C#N)cc([N+](=O)[O-])c3)c(CN3CCC(=O)CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HLAKETHKNADPCR-UHFFFAOYSA-N
rxn:5:193464:227349:225618,COc1cc(C)cc(-c2ccc(C3(C#N)CCCCC3)c(-c3cccc(OC4CCCCO4)c3)c2)c1OC,VOSANFVLLVCMFB-UHFFFAOYSA-N
rxn:5:193464:227349:225622,COc1cc(C)cc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccccc3OC3CCCCO3)c2)c1OC,MLKNCKZJKYFNDU-UHFFFAOYSA-N
rxn:5:193465:222993:226041,C[C@H]1CCCN1C(=O)c1cccc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)c1-c1cccc(N2CCCCC2O)c1,ORHDILNOYKYDNB-SXMXNQBWSA-N
rxn:5:193465:225588:226901,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1ccccc1CN1CCSCC1,UFAMSRUXQSYIEW-NRFANRHFSA-N
rxn:5:193465:226042:227501,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,QJOPXQZJYJXUOI-KRWDZBQOSA-N
rxn:5:193465:226048:227095,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CC(=O)C3)cc2)c1-c1c(F)ccc(F)c1OC(F)(F)F,WXVBVJLBQQNTIU-INIZCTEOSA-N
rxn:5:193465:226469:226046,C[C@H]1CCCN1C(=O)c1cccc(-c2ccnc(C(F)(F)C(F)(F)F)c2)c1-c1ccc2c(c1)N(C)C(=O)CO2,LEYJERMNALUIQP-INIZCTEOSA-N
rxn:5:193465:226469:226886,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c1-c1ccc2c(c1)N(C)C(=O)CO2,KLNOTDWUUFQURB-HNNXBMFYSA-N
rxn:5:193465:226779:226319,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1ccc(C(=O)C(F)(F)F)cc1,ADXPCVJTMMRDNH-IBGZPJMESA-N
rxn:5:193465:226884:226064,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCCCC3)cc2)c1-c1c(F)cc(C(F)(F)F)cc1F,RDJIGWDOBKVWAG-IBGZPJMESA-N
rxn:5:193465:226887:226779,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C(=O)C(F)(F)F)cc2)c1-c1ccc(F)c(C(F)(F)F)c1F,WJVNKELXHOMJIX-AWEZNQCLSA-N
rxn:5:193465:227095:225871,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc(C2CC(=O)C2)cc1,BEZXAELIJAPHAG-FQEVSTJZSA-N
rxn:5:193467:225816:226980,C[C@H]1CCCN1C(=O)c1cc(-c2cccc3c2C(=O)CCC3)ccc1-c1cc(C2CC2)ccc1C(F)(F)F,VFVYHEATAGUSRX-IBGZPJMESA-N
rxn:5:193467:226041:226774,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC(F)=C(F)F)cc2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,XJDULDRIEQHHDF-HNNXBMFYSA-N
rxn:5:193467:226042:227752,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(F)(F)F)cc2F)ccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,RZXCOPRAWCEWJB-AWEZNQCLSA-N
rxn:5:193467:227746:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccc(C(F)(F)F)c1F,BHMMGQKRVSQRCP-SFHVURJKSA-N
rxn:5:193467:227758:225445,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC2CCCCC2)ccc1-c1cc(F)ccc1C(F)(F)F,SXYDDGRCGZMVEL-FQEVSTJZSA-N
rxn:5:193468:222994:227761,C[C@H]1CCCN1C(=O)c1c(-c2cccc(N3CCC(O)CC3)c2)cccc1-c1ccc(F)cc1C(F)(F)F,PTVPVXWLOFSTBR-IBGZPJMESA-N
rxn:5:193468:225987:227707,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCS3(=O)=O)cc2)cccc1-c1ccccc1OC(F)(F)F,NFWOZCZYZYHOLQ-IBGZPJMESA-N
rxn:5:193468:226042:226064,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,GFLOHMNEHIUNMA-FQEVSTJZSA-N
rxn:5:193468:226042:226415,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2N2CCOCC2)cccc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,ZROMCTWRCZMMNK-IBGZPJMESA-N
rxn:5:193468:226469:226895,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)N(C)C(=O)CO3)cccc1-c1cc(F)c(C(F)(F)F)cc1F,FVMWUUXFUYSXCT-HNNXBMFYSA-N
rxn:5:193506:225987:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,HJYIVQBDZSVLQH-UHFFFAOYSA-N
rxn:5:193506:226794:228501,Cn1ncc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1C(F)(F)F,LJJLSWJLEAXGLY-UHFFFAOYSA-N
rxn:5:193506:226835:227861,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc3c(c2)CCCC3)c1,FJKQKIXRRIDZIR-UHFFFAOYSA-N
rxn:5:193506:227197:226319,CN1Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C(=O)N5CCC5)cc4)c3)cc2C1=O,WNABHWQJPNDVHG-UHFFFAOYSA-N
rxn:5:193506:227766:228062,CCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cncc3c2CCCO3)c1,UWMXOQLYXYNOES-UHFFFAOYSA-N
rxn:5:193506:227766:228500,CCn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(C(F)(F)F)nc2)c1,VIGSHNMSJLCCPR-UHFFFAOYSA-N
rxn:5:193506:228193:227659,Cc1c(-c2cc(-c3cnn(C4CCCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cccc1C(F)(F)F,DBPVJFBTTLVNBI-UHFFFAOYSA-N
rxn:5:193506:228199:227736,Cc1nn(C2CCC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C(F)(F)F)cnc2C)c1,YIQJCVVSTZQNOR-UHFFFAOYSA-N
rxn:5:193506:229148:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(CCF)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,GVWOFOSGMWGKSL-UHFFFAOYSA-N
rxn:5:193539:226592:225441,CC(C)Oc1cc(F)c(F)cc1-c1ccc(CN2CCCCC2)cc1-c1cc(C2CC2)cnc1C(C)(C)C,AXXIBBFWOMBAHU-UHFFFAOYSA-N
rxn:5:193542:225978:223173,O=S1(=O)CC(O)c2cc(-c3c(CN4CCCCC4)cccc3-c3ccc(N4CCOCC4)nc3F)ccc21,JRDPTMGUJGTDSP-UHFFFAOYSA-N
rxn:5:193598:227996:225810,COc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3C)cc2C(=O)N2CCOC(C)C2)c(C2OCCO2)c1,OVNUUMBDFKXVET-UHFFFAOYSA-N
rxn:5:193681:223144:226464,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCC(O)C4)cc3)cc1OC1CCN(C)CC1)OCCO2,DPPVZZJIBBXVDE-UHFFFAOYSA-N
rxn:5:193750:226901:223145,CC1CCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2ccc(C3CCC(=O)N3)cc2)CC1,FKLHSLIIYJPJRP-UHFFFAOYSA-N
rxn:5:193751:225456:227541,CCOc1cc(F)c(-c2ccc(-c3ccc(C4CCN(C)CC4)cc3)c(C(=O)N3CCCC(C)C3)c2)cc1F,NMAUFSRFRFGAGR-UHFFFAOYSA-N
rxn:5:193751:226901:227450,CC1CCCN(C(=O)c2cc(-c3cccc(C4CC4(F)F)c3)ccc2-c2cccc(S(F)(F)(F)(F)F)c2)C1,LLYUENXZPBNWKM-UHFFFAOYSA-N
rxn:5:193752:225884:228870,COC(=O)c1csc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc(C3COCCO3)c(F)c2)c1,VELFQBXBRGIIDQ-UHFFFAOYSA-N
rxn:5:193752:227657:226756,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2ccc(N3CCOCC3)s2)ccc1C(F)(F)F,PAMIFLOMRGIPKP-UHFFFAOYSA-N
rxn:5:193752:227764:226901,CC1CCCN(C(=O)c2ccc(-c3cc(F)c(C(F)F)c(F)c3)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,OFJMKXLUHREMAS-UHFFFAOYSA-N
rxn:5:193753:223082:228370,CNS(=O)(=O)c1c(C)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C)cc3[N+](=O)[O-])c2)cc1C,MSPJZZXHUOLQOG-UHFFFAOYSA-N
rxn:5:193753:226582:226040,Cc1c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C(=O)N(C)C)cc3F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],ATGNLOCXSVCXMB-UHFFFAOYSA-N
rxn:5:193753:228326:225585,COc1cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccccc3CN3CCOCC3)c2)cc(OC)n1,NZXHKDCSTAIMTP-UHFFFAOYSA-N
rxn:5:193755:223241:223001,CC1CCCN(C(=O)c2cccc(-c3cncc(C4CCNC4)c3)c2-c2cc(C3CCCNC3)ccc2F)C1,YMSFODVBXVCZAW-UHFFFAOYSA-N
rxn:5:193807:225987:226900,CC1CCN(Cc2cccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c2-c2ccc(N3CCCS3(=O)=O)cc2)CC1,BCKAFSPIKOSBSL-UHFFFAOYSA-N
rxn:5:193809:225944:227185,CC1CCN(Cc2ccc(-c3c(F)cc(F)c(OC(C)C)c3F)cc2-c2ccc3c(c2)N(C)CCO3)CC1,FDOKYMXROOSIDN-UHFFFAOYSA-N
rxn:5:193866:226959:227088,Cc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(c2)CC(C)(C)O3)cc(C(C)(C)C)n1,MXYWEPXAKIZPIV-UHFFFAOYSA-N
rxn:5:193866:227390:228468,Cc1c(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccnn2C2CCCCC2)cncc1[N+](=O)[O-],VUJAFCRLBCDHJT-UHFFFAOYSA-N
rxn:5:193868:227087:227091,Cc1cnc(C(C)(C)C)c(-c2ccc(-c3cncc(C4CCCC4)c3)c(C(=O)N3CC(C)OC(C)C3)c2)c1,BXIVVURSGNUVLS-UHFFFAOYSA-N
rxn:5:193869:225832:226836,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,KICJDXWUPKDTRJ-UHFFFAOYSA-N
rxn:5:193869:226044:227077,CCC(C)c1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3c(F)c(F)cc([N+](=O)[O-])c3OC)cc2C)c(F)c1,TWSPUUAINRRZAJ-UHFFFAOYSA-N
rxn:5:193869:226150:228148,COc1cccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3cccc(SC4CCCC4)c3)cc2C)c1OC,SNCKSJIPNZWINY-UHFFFAOYSA-N
rxn:5:193869:228395:222998,COc1cc(F)c(F)cc1-c1cc(C)c(-c2cc(F)cc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCC1,LAIPOCZRZMCRPM-UHFFFAOYSA-N
rxn:5:193870:223389:228200,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccnn2C2CCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,HDXGSNFCHXGERV-UHFFFAOYSA-N
rxn:5:193870:225594:226415,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2N2CCOCC2)cc1-c1ccc(F)cc1CN1CCCC1,QYXBZQFPFHWTNN-UHFFFAOYSA-N
rxn:5:193870:225832:228653,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnn3c2CCCC3)cc1-c1c(C)nn(C2CCCCO2)c1C,UDXXHJUASDRBBJ-UHFFFAOYSA-N
rxn:5:193870:226037:226662,COc1c(C(F)(F)F)ccc(-c2cc(-c3ccc(N4CCN(C)CC4)s3)c(S(=O)(=O)N3CCCCC3)cc2C)c1F,OLUQKNBDWBSTHS-UHFFFAOYSA-N
rxn:5:193870:226856:228274,COc1cnc(C(F)(F)F)cc1-c1cc(-c2cc(SC)c(C)cc2F)c(S(=O)(=O)N2CCCCC2)cc1C,CCSKAKIPRGOKRO-UHFFFAOYSA-N
rxn:5:193870:227103:228327,COc1cc(-c2cc(-c3sccc3C3CCCCC3)c(C)cc2S(=O)(=O)N2CCCCC2)cnc1OC,NNNOUBAKIAIIGE-UHFFFAOYSA-N
rxn:5:193870:227371:225810,COc1ccc(-c2cc(-c3ccc(C)c(OC)c3OC)c(C)cc2S(=O)(=O)N2CCCCC2)c(C2OCCO2)c1,XUDVFLPWQYILDD-UHFFFAOYSA-N
rxn:5:193932:226901:223216,CC1CC(C)CN(C(=O)c2ccc(-c3ccc4c(c3)CCC(=O)N4)c(-c3cccc(S(F)(F)(F)(F)F)c3)c2)C1,PGTYXUMYCYILRR-UHFFFAOYSA-N
rxn:5:193932:227093:226587,CC1CC(C)CN(C(=O)c2ccc(-c3cnc(OC4CCC4)cc3F)c(-c3cccnc3C3CCCC3)c2)C1,DPLRPNLYSCSWRA-UHFFFAOYSA-N
rxn:5:193967:223389:228327,COc1cc(-c2cc(-c3c(C)n[nH]c3C(F)(F)F)ccc2CN2CCC3(CC2)OCCO3)cnc1OC,YBQMDPQPBCUULG-UHFFFAOYSA-N
rxn:5:193967:225515:229073,COc1cnccc1-c1cc(-c2cccc3c2OCC(C)(C)CO3)ccc1CN1CCC2(CC1)OCCO2,SKVRVIPVZNMVCF-UHFFFAOYSA-N
rxn:5:193967:226464:227858,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3CN(C)C4)c1)OCCO2,IWTYJRUWQSGHJL-UHFFFAOYSA-N
rxn:5:193967:228469:226318,Cc1ncc([N+](=O)[O-])cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2cc(C3CC3)nc(N(C)C)c2)c1,WSATZUYQPMJWJO-UHFFFAOYSA-N
rxn:5:193967:229006:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(SC)cc2)ccc1CN1CCC2(CC1)OCCO2,PPGJLGPDCPCDGZ-UHFFFAOYSA-N
rxn:5:193968:223284:227554,COC(=O)c1c(F)cccc1-c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1CN1CCC2(CC1)OCCO2,NLRIDNHJPQFABU-UHFFFAOYSA-N
rxn:5:193968:225515:229069,COc1ncccc1-c1ccc(-c2cccc3c2OCC(C)(C)CO3)cc1CN1CCC2(CC1)OCCO2,CKEFBHPKSVQCPX-UHFFFAOYSA-N
rxn:5:193968:225515:229073,COc1cnccc1-c1ccc(-c2cccc3c2OCC(C)(C)CO3)cc1CN1CCC2(CC1)OCCO2,SDWFFWJDKRSULB-UHFFFAOYSA-N
rxn:5:193968:226464:227205,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,ZLBUWZWBLLZVOE-UHFFFAOYSA-N
rxn:5:193968:226464:228071,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCCO4)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,NCWDNOAIHRRUBC-UHFFFAOYSA-N
rxn:5:193968:227413:227103,Fc1cc(C2CCC2)ncc1-c1ccc(-c2sccc2C2CCCCC2)c(CN2CCC3(CC2)OCCO3)c1,HTWCGXILZLGYBL-UHFFFAOYSA-N
rxn:5:193968:228455:223389,COc1ncc(-c2ccc(-c3c(C)n[nH]c3C(F)(F)F)c(CN3CCC4(CC3)OCCO4)c2)c(OC)n1,APHFDTGKHURHQF-UHFFFAOYSA-N
rxn:5:193968:229006:225611,COc1cc(N2CCCC2)ccc1-c1ccc(-c2ccc(SC)cc2)cc1CN1CCC2(CC1)OCCO2,DQFKCFCVPHDNLG-UHFFFAOYSA-N
rxn:5:193972:226901:229048,Cc1cc(-c2cccc(S(F)(F)(F)(F)F)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn2c1CCC2,YQPJAHKXRKHUEC-UHFFFAOYSA-N
rxn:5:194397:226654:223113,CC1CCN(c2nc(-c3cc(-c4ccc5c(c4)C(C)(C)C(=O)N5)ccc3C(=O)N3CC4CC4C3)cs2)CC1,ZQSXLKYWQXSCQD-UHFFFAOYSA-N
rxn:5:194561:225435:228508,CC(C)c1cccc(-c2ccc(-c3ccccc3CN3CCCCC3)cc2C(=O)N2C3CCC2COC3)c1,JTJMMCVCYVXJIK-UHFFFAOYSA-N
rxn:5:194634:225935:225822,CC(C)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3C3CC3)c(C(=O)N3CCc4ccccc4C3)c2)cc(C(F)(F)F)n1,PNTJSYZQSHVXEP-UHFFFAOYSA-N
rxn:5:194733:225694:226900,O=C(c1cc(-c2cccnc2-c2ccccc2F)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,VIGCGBLUBNHBLI-UHFFFAOYSA-N
rxn:5:194733:226192:226901,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,OMBUGDXKAVRMOP-UHFFFAOYSA-N
rxn:5:194733:226870:227452,O=C(c1cc(-c2ccc(F)c(OC(F)(F)F)c2)ccc1-c1cccc(C2OCCO2)c1)N1C2CCC1CC(=C1CC1)C2,FNPVFPUEMUASTD-UHFFFAOYSA-N
rxn:5:194733:226900:228510,CC(C)c1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,OBXRGMUZJDAJPJ-UHFFFAOYSA-N
rxn:5:194733:226900:228980,C#Cc1cccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,IUVPUZURGGRGNZ-UHFFFAOYSA-N
rxn:5:194733:226901:229037,Cc1ccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1F,JRHKEXCPZJWDLW-UHFFFAOYSA-N
rxn:5:194733:227833:228878,CCc1cc(C)cc(C)c1-c1ccc(-c2cnn(C3COC3)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,FKQMJIPWIOIHOL-UHFFFAOYSA-N
rxn:5:194733:227966:225879,CC(C)(C)c1ncccc1-c1ccc(-c2ccc(N3CCOCC3)cc2F)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,VEKROYIGHWHYFL-UHFFFAOYSA-N
rxn:5:194733:227985:228613,CCc1ccc(-c2ccc(-c3ccc(F)c(C(C)C)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1F,LMFZSLIFQRQSAE-UHFFFAOYSA-N
rxn:5:194733:228908:227666,COc1cc(-c2ccc(-c3ccc(C(C)=O)c(F)c3F)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c(F)cn1,QVHUTVVTKJLIRI-UHFFFAOYSA-N
rxn:5:194767:223064:227968,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(C5CCNCC5)nc4F)ccc3-c3cnccc3C3CCC3)C2)c2ccccc21,VUCJAHSGEKFGAF-UHFFFAOYSA-N
rxn:5:194782:228148:227559,COc1cccc(-c2ccc(-c3ccc(C)c(OC(F)F)c3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1OC,BOBCAWYWQVVBPZ-UHFFFAOYSA-N
rxn:5:194791:223342:225666,O=C1C2C(c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc2c(c1)OCCN2,ASYLBMZGPLLPOV-UHFFFAOYSA-N
rxn:5:194791:225606:223017,COC(=O)c1cccc2cc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6cccc(C(=O)n7cccc7)c6)C(=O)C45)cc3)[nH]c12,OYQCBPXEYRWTNJ-UHFFFAOYSA-N
rxn:5:194791:227390:229234,CSc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccnn5C5CCCCC5)C(=O)C34)cc2)s1,HURFLVJLSLVQQI-UHFFFAOYSA-N
rxn:5:194791:227691:226078,COc1cc2ccccc2cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc([N+](=O)[O-])c(OC)c4)C(=O)C23)cc1,AZQNJTXOTRMSDH-UHFFFAOYSA-N
rxn:5:194791:228832:227298,Cc1cc(F)c(F)c(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cc(F)ccc5CN(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)c1,ZMKFMNOXKDBAMZ-UHFFFAOYSA-N
rxn:5:194792:227932:226645,COCc1ccc(C)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccnc(N7CCOCC7)c6)cc5)C(=O)C34)cc2)c1,RXXYLFLLHJGMMV-UHFFFAOYSA-N
rxn:5:196198:225943:225871,O=C(c1ccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)s1)N1CCOCC1,STFITFMONMPFEB-UHFFFAOYSA-N
rxn:5:196198:226854:225623,COc1ccc(F)c(-c2ccc(N3C(=O)C=CC3=O)cc2-c2cccc(OC3CCOCC3)c2)c1[N+](=O)[O-],NYAUHGCTSUHUNQ-UHFFFAOYSA-N
rxn:5:196408:225637:225976,CN1CCN(c2ccccc2-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2C2=NOCCO2)CC1,IXHBTVCZICNCLO-UHFFFAOYSA-N
rxn:5:196408:225637:225982,CN1CCN(c2ccccc2-c2cc(-c3cnc(N4CCOCC4)cc3F)ccc2C2=NOCCO2)CC1,YKKBISUGFKVDLH-UHFFFAOYSA-N
rxn:5:196408:225982:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2cnc(N3CCOCC3)cc2F)c1,PSGSGVLWCJJDFC-UHFFFAOYSA-N
rxn:5:196408:225982:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2cnc(N3CCOCC3)cc2F)c1,KZAXLJKEXSZPNV-UHFFFAOYSA-N
rxn:5:196408:225982:225928,Cc1ccc(-c2ccc(C3=NOCCO3)c(-c3cnc(N4CCOCC4)cc3F)c2)cc1S(=O)(=O)N(C)C,LWUPUACFZGAOSR-UHFFFAOYSA-N
rxn:5:196408:225982:225929,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3cnc(N4CCOCC4)cc3F)c2)ccc1S(=O)(=O)N(C)C,XCKGQEKIZAEECW-UHFFFAOYSA-N
rxn:5:196408:225982:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2ccc(C3=NOCCO3)c(-c3cnc(N4CCOCC4)cc3F)c2)c1,PUXSOBKHFGMNII-UHFFFAOYSA-N
rxn:5:196408:226026:222959,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)c2)ccc1C1CCNCC1,ZBFPDWNIQALFKY-UHFFFAOYSA-N
rxn:5:196533:225438:226901,CC(c1ccc(-c2ccc(N3C(=O)CC(c4cccc(S(F)(F)(F)(F)F)c4)C3=O)cc2)cc1)N1CCCC1,MMJLXDRCIPLAET-UHFFFAOYSA-N
rxn:5:196533:225440:226900,N#CC1(c2ccc(-c3ccc(N4C(=O)CC(c5ccc(S(F)(F)(F)(F)F)cc5)C4=O)cc3)cc2)CCCC1,YCJGBEXYBCOEAQ-UHFFFAOYSA-N
rxn:5:196533:226333:225450,O=C(c1ccc(C2CC(=O)N(c3ccc(-c4cccc(C(=O)N5CCC5)c4)cc3)C2=O)cc1)C1CCCC1,GMSPDYBTDPQWIA-UHFFFAOYSA-N
rxn:5:196533:226901:225584,O=C(c1ccc(C2CC(=O)N(c3ccc(-c4cccc(S(F)(F)(F)(F)F)c4)cc3)C2=O)cc1)N1CCCC1,USKVEJVPELNUNM-UHFFFAOYSA-N
rxn:5:196789:225834:225834,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(N2CCCCC2)ncc1F,ALAVTACEQBEBAQ-UHFFFAOYSA-N
rxn:5:196793:225450:226415,O=C(c1ccc(-c2ccc(N3CCOCC3=O)cc2-c2ccccc2N2CCOCC2)cc1)C1CCCC1,TUWXMEKEBPBVHU-UHFFFAOYSA-N
rxn:5:196794:225978:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,FGUOIBZPPLCAMH-UHFFFAOYSA-N
rxn:5:196916:225451:226901,O=C1CCCCN1c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(SC2CCCCC2)cc1,DYGLZCNOWFDVHL-UHFFFAOYSA-N
rxn:5:196916:227766:226654,CCn1nc(C(F)(F)F)cc1-c1cc(-c2csc(N3CCC(C)CC3)n2)ccc1N1CCCCC1=O,ILCJFJNNPOKMIK-UHFFFAOYSA-N
rxn:5:196918:225924:226366,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cccc(N2CCCCC2=O)c1-c1ccnc(N2CCCCC2)c1,DCJQLXXNBRTHOU-UHFFFAOYSA-N
rxn:5:196919:225655:226175,Cc1cc(N2CCCC2)ccc1-c1cc(-c2cncc(N3CCC(C)CC3)c2)ccc1C1=NC(C)(C)CO1,DOTIEFLAZSIXBO-UHFFFAOYSA-N
rxn:5:196969:226898:222980,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCCCC2)cc1-c1ccc(CN2CCNCC2)cc1,WSQKMEVBWOXNNA-UHFFFAOYSA-N
rxn:5:197526:227766:225988,CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1-c1c(F)cc(C3OCCO3)cc1F)C(=O)CN2C(C)=O,HLMVOMCNYFISKF-UHFFFAOYSA-N
rxn:5:197876:222417:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1cnc(=O)[nH]c1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,VGWKOVUNBGISBY-UHFFFAOYSA-N
rxn:5:197876:226837:226654,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1csc(N3CCC(C)CC3)n1)C(=O)N(C(C)(C)C)S2(=O)=O,NEUXSRBMEFLSJR-UHFFFAOYSA-N
rxn:5:197876:227970:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc2c(cc1-c1ccncc1C(C)(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,CURQPXVJRNXROY-UHFFFAOYSA-N
rxn:5:197876:228199:228502,Cc1nn(C2CCC2)cc1-c1cc2c(cc1-c1nn(C)cc1C(F)(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,JTHDSOMOJUYKDZ-UHFFFAOYSA-N
rxn:5:197876:228340:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1sc(C3CC3)nc1OC)S(=O)(=O)N(C(C)(C)C)C2=O,UAHOQQOXAHSKCJ-UHFFFAOYSA-N
rxn:5:226440:180022:225671,COc1c(-c2cc(C3CCCCC3)ncc2F)ccc(-c2cc(F)nc(C3CCCC3)c2)c1C1OCCO1,MZLPEONAFZJNSL-UHFFFAOYSA-N
rxn:5:226769:189952:226980,COC(=O)c1cc(F)c(F)c(-c2cc(C(=O)N3CCOCC3)cc(-c3cccc4c3C(=O)CCC4)c2OC)c1,NURZYNHWFGJELH-UHFFFAOYSA-N
rxn:5:227498:190131:227686,COc1cc(N(C)C)ncc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc(OC)c([N+](=O)[O-])c2)c1OC,IOKSBLMBDMUCSU-UHFFFAOYSA-N
rxn:4:173301:223888,CCOC(=O)CCOc1cc(F)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1F,XXCDSERWMVJRPH-UHFFFAOYSA-N
rxn:4:173348:223504,CCCCSCC(=O)c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,XBBIDXFATKOCMJ-UHFFFAOYSA-N
rxn:4:173458:224022,COc1cc(C(OC)OC)c(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1OC,CUZFDIXKQVYOCP-UHFFFAOYSA-N
rxn:4:173503:224034,CCCCc1ccc(-c2ccc(-c3cc(C(=O)OC)cc([Si](C)(C)C)c3OS(=O)(=O)C(F)(F)F)cc2)cc1,OXDNWTBMJPAPAB-UHFFFAOYSA-N
rxn:4:173508:225346,COc1cc(-c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1OCCOC1CCCCO1,NQEFDKQDWZCERX-UHFFFAOYSA-N
rxn:4:173560:223521,COC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PLQFZASUXVOKIV-UHFFFAOYSA-N
rxn:4:173578:223894,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(OCCCN3CCN(C)CC3)c2)c1,VEEPYGXSCPZMCF-UHFFFAOYSA-N
rxn:4:173616:222621,Cc1oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,JSSMCLBTOUQABS-UHFFFAOYSA-N
rxn:4:173731:223598,C#Cc1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1OCCOC,OKIIRGDZDIHPQP-UHFFFAOYSA-N
rxn:4:173762:223606,COC(=O)C(=O)CC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,DRWNLBOJOKYDPP-UHFFFAOYSA-N
rxn:4:174148:224022,CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl,DTCLZQPQASZLLO-UHFFFAOYSA-N
rxn:4:174159:223831,COC(=O)c1cc(F)c(OCC(C)C)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(C)CC3)c2)c1,UDQXKQPSJOXAAE-UHFFFAOYSA-N
rxn:4:174316:222546,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,NFTOPCXHZXAKRQ-UHFFFAOYSA-N
rxn:4:174378:224589,COc1ccc(-c2ccc(F)cc2CN2CCC(C)CC2)cc1OCCC1OCCCO1,RYFOSYXKAZFDPX-UHFFFAOYSA-N
rxn:4:174406:224733,COC(=O)C1(c2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)CC(OC)(OC)C1,SBFGZWCSOUJARE-UHFFFAOYSA-N
rxn:4:174406:225000,COC(=O)C1(c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2)CC(OC)(OC)C1,MZUZIFXZGSSPOL-UHFFFAOYSA-N
rxn:4:174407:225000,COC(=O)C1(c2cccc(-c3ccc(CN4CCCCC4)c(F)c3)c2)CC(OC)(OC)C1,YZEFPKYWEZAOEF-UHFFFAOYSA-N
rxn:4:174407:225048,COC(=O)C1(c2cccc(-c3ccc(N4CCN(C)CC4)cc3C)c2)CC(OC)(OC)C1,XVLVZAFTOOSFSK-UHFFFAOYSA-N
rxn:4:174468:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C,MZEYYTZWAORNHR-UHFFFAOYSA-N
rxn:4:174468:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C,PSMFSZCGWTWPAP-UHFFFAOYSA-N
rxn:4:174470:222741,CCOC(=O)C1(Cc2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)CCCCC1,OPVXHIGDKCOXAT-UHFFFAOYSA-N
rxn:4:174471:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C(F)(F)F)ccc1CO[Si](C)(C)C(C)(C)C,KXFYAORIWJFNMY-UHFFFAOYSA-N
rxn:4:174471:223658,CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,OTLZVDNCLALWLI-UHFFFAOYSA-N
rxn:4:174486:224819,COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,YJABZTWKMLSKEO-UHFFFAOYSA-N
rxn:4:174663:222965,CCCC(=O)NCc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,TZWLDSXYIRHQTG-BBSVBJGBSA-N
rxn:4:174663:223202,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc(C3(O)CCC3)cc2)cc1,IFUUYALPDMPNBV-LUTSASADSA-N
rxn:4:174663:224457,Cc1ccccc1COc1ccccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,FNVJSERQFBVHLM-ADBKYNIVSA-N
rxn:4:174663:227768,CN(C)S(=O)(=O)n1cccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,MXLHNMRALYZOEV-IJSUORRQSA-N
rxn:4:174663:228158,CCOc1cc(F)cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,QBEXLUAAPIBXGF-MCPNDBPUSA-N
rxn:4:174663:228786,COc1cccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1Cl,CGNXKEUWQCMSNL-QQXXBIGFSA-N
rxn:4:174663:228832,Cc1cc(F)c(F)c(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c1,WUESBNADKNNQEP-SSFXTOADSA-N
rxn:4:174663:229031,Cc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)c(F)c1,QULHPAPMJWIMPI-MWUKLDBESA-N
rxn:4:174790:223576,CCOC(=O)C(=O)c1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,FFUMGDBSXRWMMC-UHFFFAOYSA-N
rxn:4:175872:223813,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1COC1CCCC1,GSPRTVLMHYMJII-UHFFFAOYSA-N
rxn:4:175874:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCOC4CCCCO4)c(Cl)c3)cc2)CC1,CLVAHOPHNFVUMK-RZWCHVLBSA-N
rxn:4:175874:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCOC4CCCCO4)c(Cl)c3)c(F)c2)CC1,IAGHRXPGECXVPB-LQQNYNNYSA-N
rxn:4:175965:223842,COC(=O)c1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1S(=O)(=O)c1ccc(C)cc1,YLYNWDQGGLTSAP-UHFFFAOYSA-N
rxn:4:175989:223847,CCCCCC1CCC(c2ccc(-c3ccc(OCC4CCCCC4)cc3C(F)F)cc2)CC1,HALUDILYZGSLBB-UHFFFAOYSA-N
rxn:4:176055:223596,Cc1ccc(C)c(CCC(=O)c2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,DCWFOEZEGNAZEK-UHFFFAOYSA-N
rxn:4:176119:223638,CC(C)(C)OC(=O)c1cc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc(Cl)cc2F)c1,RXYIMGZXDNLVEE-UHFFFAOYSA-N
rxn:4:176130:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2(O[Si](C)(C)C(C)(C)C)CC2)o1,MALHESWDSFWVRB-UHFFFAOYSA-N
rxn:4:176316:227124,CC(C)(C)c1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)c(F)c1,GHJAGMSAUMECDH-UHFFFAOYSA-N
rxn:4:176316:227263,CCOCc1ccc(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc1F,SJRVRXPGRXWTNR-UHFFFAOYSA-N
rxn:4:176418:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(F)c(F)c(OCC(F)(F)F)c2)CC1,MPHALPMMKZVVMX-UHFFFAOYSA-N
rxn:4:177990:222584,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,JFAQIULMQZWBIH-UHFFFAOYSA-N
rxn:4:178123:223786,COC(=O)c1c(F)cc(C(C)(C)C)cc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,ZLXLVWBBDZQIPM-UHFFFAOYSA-N
rxn:4:178222:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(COC4CCCCC4)cc3)c2)CC1,OSDRIIFPLBJFDF-UHFFFAOYSA-N
rxn:4:178384:225059,CC1CCN(c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(Cl)c2)CC1,AHILCHDCTDFRNZ-UHFFFAOYSA-N
rxn:4:178384:226244,CCCCOc1cccc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KWIWLHQVJJJWOT-UHFFFAOYSA-N
rxn:4:178384:226267,COCCOc1ccc(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WLLHGTDKTCQWMZ-UHFFFAOYSA-N
rxn:4:178588:224496,CCN1CCN(Cc2cccc(-c3ccc4c(c3)CCC(O[Si](C)(C)C(C)(C)C)C4)c2)CC1,RZQZITVWXKTQCF-UHFFFAOYSA-N
rxn:4:178588:225191,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cnc(OC4CCCCC4)cc3F)ccc2C1,CERYDVLODYJADZ-UHFFFAOYSA-N
rxn:4:178594:222932,COCCNS(=O)(=O)c1ccc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc1,QRMLMOCXWGAEOA-UHFFFAOYSA-N
rxn:4:178598:222856,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cc(C3CCNCC3)ccc2OC)c1,XNKCPYQTTJABDA-UHFFFAOYSA-N
rxn:4:178598:224865,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CCN3CCCCC3)cc2)c1,LTFXPBZBOYZWHH-UHFFFAOYSA-N
rxn:4:179293:223787,Cc1ccc(F)c(C(=O)C(F)(F)F)c1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,UAVOJOHLDGYTSL-UHFFFAOYSA-N
rxn:4:179653:224884,CC1CCN(Cc2cccc(-c3cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c3)c2)CC1,VAQDCTNOHGWURL-UHFFFAOYSA-N
rxn:4:179793:223597,COC1(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)COC1,JKFCGNCSNRMPIU-UHFFFAOYSA-N
rxn:4:180022:223499,COc1c(Cl)ccc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C1OCCO1,FMMNUQZCBSZOHW-UHFFFAOYSA-N
rxn:4:180105:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(F)c(OC2CCCC2)c1F,ZDLVPYJODCDZFE-UHFFFAOYSA-N
rxn:4:180128:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC2CCCC2)c(F)c1F,ATEMJVTWHBDXLE-UHFFFAOYSA-N
rxn:4:180289:223522,COc1c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(C)cc1C1OCCO1,FPYHUJGOJWMKLR-UHFFFAOYSA-N
rxn:4:180378:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)ccc3OC3CCCCO3)c(F)c2)CC1,WCZPOOLBFBTEOP-RZWCHVLBSA-N
rxn:4:180390:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)cc3C3CCCO3)c(F)c2)CC1,NEWFRKBXSFBOAK-GTKZWQIPSA-N
rxn:4:180390:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CC4)cc3C3CCCO3)c(F)c2)CC1,NEWFRKBXSFBOAK-UHFFFAOYSA-N
rxn:4:180391:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)ccc3C3CCCO3)c(F)c2)CC1,GYGUBENAWGPSBO-GTKZWQIPSA-N
rxn:4:180391:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CC4)ccc3C3CCCO3)c(F)c2)CC1,GYGUBENAWGPSBO-UHFFFAOYSA-N
rxn:4:180442:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)cc3C3COCCO3)c(F)c2)CC1,GZFFWVYDVCUIKH-GTKZWQIPSA-N
rxn:4:180443:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)ccc3C3COCCO3)c(F)c2)CC1,MPRKUMIINCKMFP-GTKZWQIPSA-N
rxn:4:180443:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CC4)ccc3C3COCCO3)c(F)c2)CC1,MPRKUMIINCKMFP-UHFFFAOYSA-N
rxn:4:180453:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCCCC4)cc3C)c(F)c2)CC1,XDICTXZREYKWFO-RQNOJGIXSA-N
rxn:4:180456:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC4CCCCC4)ccc3C)c(F)c2)CC1,IXTIHZABHOZVRA-RQNOJGIXSA-N
rxn:4:180459:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CCCC4)cc(C4CC4)c3)c(F)c2)CC1,ORDLLHGMEVCEKE-UHFFFAOYSA-N
rxn:4:180482:223474,O=C(c1ccccc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1)C1CCCCCC1,XJXUVARDVNJUFN-UHFFFAOYSA-N
rxn:4:180485:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCOCC4)cc(C4CC4)c3)c(F)c2)CC1,AXBRAKLQBCGXLN-YHBQERECSA-N
rxn:4:180485:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CCOCC4)cc(C4CC4)c3)c(F)c2)CC1,AXBRAKLQBCGXLN-UHFFFAOYSA-N
rxn:4:180486:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)ccc3C3CCOCC3)c(F)c2)CC1,SUPCQASJFDTOBH-YHBQERECSA-N
rxn:4:180487:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)cc3C3CCOCC3)c(F)c2)CC1,VDRUCSARBOHQCP-YHBQERECSA-N
rxn:4:180489:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)cc(C4CCCOC4)c3)cc2)CC1,XQZYWHRFSXOZLL-AVTAQKSFSA-N
rxn:4:180491:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCOCC4)cc3C3CC3)c(F)c2)CC1,PODVSDOFMMQYKO-YHBQERECSA-N
rxn:4:180495:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCOCC4)ccc3C3CC3)c(F)c2)CC1,HWLLMWFVHMGHGQ-YHBQERECSA-N
rxn:4:180495:223894,CN1CCN(CCCOc2cccc(-c3cc(C4CCOCC4)ccc3C3CC3)c2)CC1,ANCNZBJDBNIOPZ-UHFFFAOYSA-N
rxn:4:180501:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4CC4)cc3C3CCCCO3)c(F)c2)CC1,KADLCTNJCWFGIS-UHFFFAOYSA-N
rxn:4:180502:223728,CCCCCC1CCC(c2ccc(-c3cc(C4CC4)ccc3C3CCCCO3)c(F)c2)CC1,HJEJSIKGIKSGPD-UHFFFAOYSA-N
rxn:4:180503:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)ccc3C3CCCOC3)cc2)CC1,RGRMYTPLTDFUPY-RSSXGHEXSA-N
rxn:4:180505:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)cc(C4CCCCO4)c3)c(F)c2)CC1,CEHMWVZXCBIOHY-LCOQZQPXSA-N
rxn:4:180505:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)cc(C4CCCCO4)c3)cc2)CC1,HTQZGNWZAPDQBV-SWZCCTPQSA-N
rxn:4:180527:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)CC1,HXZMWJHCFVSQMO-YOCNBXQISA-N
rxn:4:180815:225105,CCN(CC)C(=O)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1F,FFYGESUHBDCLQW-UHFFFAOYSA-N
rxn:4:182104:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4=CCC5(CC4)OCCO5)cc3)c(F)c2)CC1,VIYWRHGKQQCOFB-ALOJWSFFSA-N
rxn:4:182109:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCC5(CC4)OCCO5)cc3)c(F)c2)CC1,AJAVTZXTWLYAOI-ALOJWSFFSA-N
rxn:4:182354:223926,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c2c1OC1(CCCC1)C2,NACOHOFWHJATNT-UHFFFAOYSA-N
rxn:4:182376:225361,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cc3C2=O)C[C@@H]1C,ZNQVRFBQAUFJJF-ZTTOOSFFSA-N
rxn:4:183248:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)CC3(CC4)OCCO3)c(F)c2)CC1,UNLHCXXWCIOGOS-UHFFFAOYSA-N
rxn:4:183261:224022,O=C1CCC2(CC1)Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2=O,OAAJUXQICGCLMJ-UHFFFAOYSA-N
rxn:4:183273:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)c(F)c2)CC1,KXMYHYFVKFUTEP-MCZWQBSQSA-N
rxn:4:183273:226265,COCCOc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)ccc1C,SNSAMEXRINXBBN-UHFFFAOYSA-N
rxn:4:183273:226356,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(Cl)cc1C1CC1,YMCDOVJOWMMBGU-UHFFFAOYSA-N
rxn:4:183273:228546,CCCc1cnccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NPASRBQOSUHOMV-UHFFFAOYSA-N
rxn:4:183274:229004,CSc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,MWUWPSVIVHWETJ-UHFFFAOYSA-N
rxn:4:183281:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc4c(c3)C3CCC4O3)c(F)c2)CC1,XCUCBEMAGVRBRL-UHFFFAOYSA-N
rxn:4:183482:224291,CCOC(=O)C(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1[N+](=O)[O-],VQNSHJIPSXFPQT-UHFFFAOYSA-N
rxn:4:183487:223577,CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1,YVCWAZSYIOOUFS-UHFFFAOYSA-N
rxn:4:183653:223835,CCN(CC)CCOc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2F)cc1F,DMVUOCHJVFIKAP-UHFFFAOYSA-N
rxn:4:183723:223840,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,KWFWVFHHRUEONK-UHFFFAOYSA-N
rxn:4:183759:225168,COCCOc1ccc(-c2ccc(CN3CCOCC3)c(F)c2)cc1C(=O)N1CCCC1,VVOKUPNINNKDJF-UHFFFAOYSA-N
rxn:4:183803:224100,CC1CCN(CCOc2ccccc2-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2)CC1,LUNPFFNVZGMYAE-UHFFFAOYSA-N
rxn:4:183808:223288,CNS(=O)(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)c1,XLCFRIQIHFKCQH-UHFFFAOYSA-N
rxn:4:183808:223901,CC1CCN(CCOc2ccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCC(F)(F)CC3)cc2Cl)CC1,JYEXMHCDJWZSRP-UHFFFAOYSA-N
rxn:4:183860:224691,COC(=O)CN1CCC(COc2ccccc2-c2ccc(C(=O)N3CC4(COC4)C3)cc2)CC1,HSOZDBVDLCVHKZ-UHFFFAOYSA-N
rxn:4:183873:224617,COC(=O)c1cc(OCCN2CCCCC2)cc(-c2ccc(OCCN3CCCC3)c(Cl)c2)c1,HOPCYOQSZUXPFA-UHFFFAOYSA-N
rxn:4:183878:222769,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc(C(=O)NC4CCCC4)c(F)c3)c2)C1,JOGZTDOWCJJUFL-UHFFFAOYSA-N
rxn:4:183878:223938,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)C1,WPURLCPJRYDQAJ-UHFFFAOYSA-N
rxn:4:183878:224157,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)C1,AQHMVLKOBHOGKF-UHFFFAOYSA-N
rxn:4:183879:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(Cl)c(OCC4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,QQGLPYMNWAFUTA-UHFFFAOYSA-N
rxn:4:183879:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(Cl)c(OCC3CN(C(=O)OC(C)(C)C)C3)c2)CC1,JCFUDGLFDDWKKS-UHFFFAOYSA-N
rxn:4:183880:223118,CCCC(=O)Nc1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)c1,NPAHEQCNRBCWDC-UHFFFAOYSA-N
rxn:4:183880:225233,CC1CCCN(c2cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cnc2Cl)C1,ZTCZJHPTJOKSAO-UHFFFAOYSA-N
rxn:4:183888:223696,CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)ccc1OC,MSZNZUUIZRWGHX-UHFFFAOYSA-N
rxn:4:183890:225561,CC(C)(C)OC(=O)c1ccccc1-c1cc(F)c(OCC2CN(C(=O)OC(C)(C)C)C2)c(F)c1,JBZPLOWFRUEGEM-UHFFFAOYSA-N
rxn:4:183892:225805,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(C(C)N3CCOCC3)s2)c1,YTLBKPYBEQPOFH-UHFFFAOYSA-N
rxn:4:183892:226526,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(C(=O)OC)ccc2OC)c1,XPKGVEUOHFOLGK-UHFFFAOYSA-N
rxn:4:183917:222611,COc1ccc(COc2c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cccc2S(=O)(=O)N(C)C)cc1,REECTSDXKQFQPR-UHFFFAOYSA-N
rxn:4:183944:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(S(=O)(=O)CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,OSRCTKSYLUZCRT-UHFFFAOYSA-N
rxn:4:183944:226567,COC(=O)C(=O)c1ccc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,NYJVAZYAQUEXLE-UHFFFAOYSA-N
rxn:4:183959:225899,Cc1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(C)c2)n(C(=O)OC(C)(C)C)n1,FRRMQJFYIMHMAV-UHFFFAOYSA-N
rxn:4:183961:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)cc2)CC1,XNZIHYOZPMTABS-QHCPKHFHSA-N
rxn:4:183965:226764,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2ccc(F)c(C(=O)OC)c2F)c1,LJGJMHUXVZYPMD-UHFFFAOYSA-N
rxn:4:183966:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)C4)c3)ccc2C1,HQGHBXDWXTZREW-UHFFFAOYSA-N
rxn:4:183968:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(F)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,AEZJZKTZTFJKSI-UHFFFAOYSA-N
rxn:4:183969:223992,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c(OC)c2)CC1,WDTVINIDPGDFPD-UHFFFAOYSA-N
rxn:4:184001:223931,COC(=O)C1(c2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,JWPGHFFYJMCYIC-UHFFFAOYSA-N
rxn:4:184001:226582,COC(=O)C1(c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,PTAYNAFGEDRZMH-UHFFFAOYSA-N
rxn:4:184013:226714,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2)CC1,XBCCFFHRDUFWAH-UHFFFAOYSA-N
rxn:4:184014:223490,Cc1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VZTKGDKZARTZBD-UHFFFAOYSA-N
rxn:4:184014:225519,CCOC(=O)CCc1ccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WTLZVXMNBMRYFP-UHFFFAOYSA-N
rxn:4:184017:223556,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cc2)CC1,WEXGMWKOVAPZTD-UHFFFAOYSA-N
rxn:4:184020:224276,Cc1cc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,ZWEXWKCRSVGHCG-NRFANRHFSA-N
rxn:4:184022:223525,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)ccc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,GHFJSBRKWNKIPK-UHFFFAOYSA-N
rxn:4:184024:222948,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)C1,RFBNOKLKTOIAQM-UHFFFAOYSA-N
rxn:4:184024:224268,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2)C1,OVSGTKSYYLGTSG-UHFFFAOYSA-N
rxn:4:184026:225947,CN1CCN(c2ncc(-c3ccc(Cl)c(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)CC1,ZJTBQVJBTITDKF-UHFFFAOYSA-N
rxn:4:184026:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,YKHJHPBKIKOYNG-UHFFFAOYSA-N
rxn:4:184029:224371,COC(=O)C1CCN(c2ncc(-c3cccc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3F)cn2)CC1,MAURVKXZISULBV-UHFFFAOYSA-N
rxn:4:184030:226164,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(N3CCCCC3)cc2)CC1,IXAMHRSCRCCPLW-UHFFFAOYSA-N
rxn:4:184056:223775,COc1ccc2c(c1)c(-c1ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc1OC)cn2C(=O)OC(C)(C)C,OHELOXWBHVENQD-UHFFFAOYSA-N
rxn:4:184195:223635,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,FCYNADDVTCXGKG-UHFFFAOYSA-N
rxn:4:184245:223520,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc2)cc1)N(CCCOC(C)C)C3=O,ZUAPWKRFAPJJLH-UHFFFAOYSA-N
rxn:4:184420:224161,CCOC(=O)c1cc(C(F)F)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1C#N,UKDYCCIABPOTMW-UHFFFAOYSA-N
rxn:4:184628:223532,CCOC(=O)Cc1cc(C)cc(C#N)c1-c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,FQJNQMVQBWLTSD-UHFFFAOYSA-N
rxn:4:184864:223501,COC(=O)C(c1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)ccc1OC)N(C)C,HDNHOMONIDAGPX-UHFFFAOYSA-N
rxn:4:184870:223976,CN(C)C(=O)c1cc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)ccc1OCC1CC1,LRKLFOPKVRGAIH-UHFFFAOYSA-N
rxn:4:184958:223954,O=C1CCN(CCOc2ccc(-c3cccc(F)c3OCCCN3CCOCC3)cc2F)CC1,CXZYJMYFHTYLFX-UHFFFAOYSA-N
rxn:4:185022:224180,CN1CCN(CCOc2ccccc2-c2cccc(F)c2OCCCN2CCCCC2)CC1,MVXQVBDLWYHNRX-UHFFFAOYSA-N
rxn:4:185111:224616,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccccc2OCCN2CCOCC2)CC1,UPQCVFINPXXSBF-UHFFFAOYSA-N
rxn:4:185133:225899,Cc1cc(-c2ccc(CC3CN(C(=O)OC(C)(C)C)C3)cc2)n(C(=O)OC(C)(C)C)n1,GCALVZMODRUSIL-UHFFFAOYSA-N
rxn:4:185138:222524,COC(=O)C1CCN(CCc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc2F)CC1,YCFOLTGMHWWWPJ-UHFFFAOYSA-N
rxn:4:185139:225292,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc(OC(C)C)c(C(F)(F)F)c3)c2)CC1,CRRWYECEPSHZBY-UHFFFAOYSA-N
rxn:4:185159:225530,CCN(CC)Cc1ccc(F)cc1-c1cc(CN2CCCC(C(F)(F)F)C2)cc(C(=O)OC)c1,FIYLJVNRIMLDAD-UHFFFAOYSA-N
rxn:4:185159:225753,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cc(C(=O)OC)cnc2C2CC2)c1,GLJUGWOXKVVGFJ-UHFFFAOYSA-N
rxn:4:185164:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cnc1Cl,AVRMCXOIDRKMEY-UHFFFAOYSA-N
rxn:4:185165:224273,CC(C)(C)OC(=O)N1CC(c2cc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)ccc2C(F)(F)F)C1,QMOVEYCIZZHMLC-UHFFFAOYSA-N
rxn:4:185187:224733,COC1CCN(CCCc2ccccc2-c2ccc(OC(F)F)c(OC3CCC3)c2)CC1,UMUSBXNQCIPWIY-UHFFFAOYSA-N
rxn:4:185198:224291,COC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)ccc1CN1CCC(OC)CC1,HINNTHHYNURWLP-UHFFFAOYSA-N
rxn:4:185204:223506,COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CN(C(=O)OC(C)(C)C)C1,AORGMTNZBCVENV-UHFFFAOYSA-N
rxn:4:185208:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(F)c1,VPAPDAMQCHNTOO-UHFFFAOYSA-N
rxn:4:185210:224848,CCOc1cccc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)c1CN1CCCC(C(F)(F)F)C1,VWQYKHKWBRYGFC-RFJGZHNSSA-N
rxn:4:185211:222537,CC(C)(C)c1cc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c(OCc2ccccc2)cc1[N+](=O)[O-],FBSDEAZXTNFSIM-UHFFFAOYSA-N
rxn:4:185260:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1,GHYIPWWJYQNTFS-UHFFFAOYSA-N
rxn:4:185267:222719,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CC1,VBJDLWWRBHILOS-UHFFFAOYSA-N
rxn:4:185267:223136,CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(-c3ccncc3C3CCCNC3)c2)CC1,HBJLSJCDZZUQFM-UHFFFAOYSA-N
rxn:4:185269:223921,CN(C(=O)c1ccc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)cc2)c(Cl)c1)c1ccccc1,VBCGXNQYSNXWAK-UHFFFAOYSA-N
rxn:4:185271:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)s2)CC1,UDYQLGUFTXTJFT-UHFFFAOYSA-N
rxn:4:185313:226715,CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cnn(C(=O)OC(C)(C)C)c2)CC1,ZNCGJZAMEBDDDE-UHFFFAOYSA-N
rxn:4:185319:224158,CC(C)(C)OC(=O)N1CC(c2ccc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)cc2C2CC2)C1,BERSKSMUYIVZNN-UHFFFAOYSA-N
rxn:4:185323:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,SHARDNXURBXKBO-UHFFFAOYSA-N
rxn:4:185324:224158,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,CUXXIWAQIRULCD-UHFFFAOYSA-N
rxn:4:185354:223480,Cc1cc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FUJBTIZFWKVFFU-UHFFFAOYSA-N
rxn:4:185354:223932,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)CC1,FEYGXMUVJYVOKG-UHFFFAOYSA-N
rxn:4:185354:223989,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)CC1,IFEJDDKFZUUKAN-UHFFFAOYSA-N
rxn:4:185354:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1,YLMCKPQKFFJQDD-UHFFFAOYSA-N
rxn:4:185371:223660,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,RGLCVBNLJPIAGX-UHFFFAOYSA-N
rxn:4:185381:222802,Cc1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c(S(=O)(=O)NC(C)(C)C)c1,UDFBGLJPYUDPJR-UHFFFAOYSA-N
rxn:4:185381:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)cc(C(F)(F)F)c3)c(F)c2)CC1,BUTNUTVXQQOXQK-UHFFFAOYSA-N
rxn:4:185381:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,AIGFKDKIEQURDV-UHFFFAOYSA-N
rxn:4:185381:225035,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(F)ccc3OC3CCCCC3)cc(C(F)(F)F)c2)C1,MFVSFSZRRPEBMO-UHFFFAOYSA-N
rxn:4:185382:227470,CCCOc1ncc(-c2ccc(C(F)(F)F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)n1,ONOWBTZHHKJKSH-UHFFFAOYSA-N
rxn:4:185386:224726,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)cc1C,UJOSBCOGSYADNS-UHFFFAOYSA-N
rxn:4:185387:223591,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc2C(F)(F)F)CC1,BSGRWKURQYVJNH-UHFFFAOYSA-N
rxn:4:185388:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)ccc2F)CC1,DTEYLFLPKFXYPW-UHFFFAOYSA-N
rxn:4:185388:226511,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2C(F)(F)F)C1,CBIVKZFUMOQAJK-UHFFFAOYSA-N
rxn:4:185401:225641,CCCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccnc(N2CCCC(C)C2)c1,MVUKJBQQYWUTNB-UHFFFAOYSA-N
rxn:4:185407:227701,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC)c(F)cn1,IAZFFZYCZJRQIH-UHFFFAOYSA-N
rxn:4:185409:226549,CCOc1c(Cl)cc(-c2cc(C3CC3)cc(C3CCN(C(=O)OC(C)(C)C)C3)c2)cc1OC,UWKRWDMMCLDNGG-UHFFFAOYSA-N
rxn:4:185410:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1C1CC1,IWLJXLKZUHACBM-UHFFFAOYSA-N
rxn:4:185411:226321,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(SC4CCCC4)nc3)cc2C2CC2)C1,VGPSYEKZJCENSC-UHFFFAOYSA-N
rxn:4:185413:223533,COc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,MKSUPIUJTGIPHH-UHFFFAOYSA-N
rxn:4:185420:228456,COc1nc(SC)ncc1-c1ccc(C2CC2)cc1C1CN(C(=O)OC(C)(C)C)CCO1,HVRSOLMJOLRINL-UHFFFAOYSA-N
rxn:4:185423:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2Cl)CC1,CTIAFMGJQFHWCC-UHFFFAOYSA-N
rxn:4:185430:223525,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)(F)F)c1,HTJFQDSOPXOXIX-UHFFFAOYSA-N
rxn:4:185438:222629,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C2CCCNC2)n1,CMRVNUZKQYQDSU-UHFFFAOYSA-N
rxn:4:185438:227958,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCC4)c3)cc2)CC1,ORJZYKDDWNYLCQ-UHFFFAOYSA-N
rxn:4:185439:224290,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc(C2CC2)c1,HPFOWSJNFCBEJK-UHFFFAOYSA-N
rxn:4:185440:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,FUOZBNDBOBZLTF-UHFFFAOYSA-N
rxn:4:185483:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(F)c(OCCCN4C(=O)c5ccccc5C4=O)c3)c(F)c2)C1,SGUTUOOFMFGQAD-UHFFFAOYSA-N
rxn:4:185535:227057,COC(=O)[C@@H]1Cc2ccc(-c3cccc(OC)c3C3CC3)cc2CN1C(=O)OC(C)(C)C,TWWDFMAGVDESLD-NRFANRHFSA-N
rxn:4:185625:222616,CC1CN(CCOc2ccc3c(=O)c(-c4ccc(-c5cc(C6CCNCC6)cc(C(C)(C)C)c5)cc4)coc3c2)CC(C)O1,SBSSPLXOAAQFQF-UHFFFAOYSA-N
rxn:4:186348:224011,CC(C)COc1c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc(F)cc1[N+](=O)[O-],PPDWLINCJZTWRS-UHFFFAOYSA-N
rxn:4:186701:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OC)c(C(=O)N(C)C)c1OC,CGMABCRGPSJJIH-UHFFFAOYSA-N
rxn:4:186922:222538,O=S(=O)(c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1OC(F)(F)F)N1CCOCC1,JSZZGBYBACKAAH-UHFFFAOYSA-N
rxn:4:186922:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)cc(S(=O)(=O)N2CCCC2)c1,ABINEQXNHZSXFT-UHFFFAOYSA-N
rxn:4:186976:224248,CC1CCN(C(=O)c2ccc(-c3ccc(OCCN4CCC(=O)CC4)c(Cl)c3)cc2Cl)CC1,ILWRUNPUBZCXCZ-UHFFFAOYSA-N
rxn:4:186992:224324,O=C1CCN(C(=O)c2cc(-c3ccccc3S(=O)(=O)CC(=O)N3CCOCC3)ccc2F)CC1,KKBWAVFTBALRJU-UHFFFAOYSA-N
rxn:4:187011:225794,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3cnc(OC4CCCCC4)nc3)cc2F)C1=O,XLIITJNFRDBSRO-FQEVSTJZSA-N
rxn:4:187111:223815,COc1ccc(CCN2CCOCC2)cc1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,JYQNMXPWMXLNKN-UHFFFAOYSA-N
rxn:4:187200:223597,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c(CN2CCCCC2)c1,FVPMYWXTVQREHS-UHFFFAOYSA-N
rxn:4:187200:224321,COC(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(CN2CCCCC2)c1,WCHDXYYGGNCBJP-UHFFFAOYSA-N
rxn:4:187200:224738,COC(=O)c1ccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c(CN2CCCCC2)c1,AKQXWYWYSVPYEL-UHFFFAOYSA-N
rxn:4:187204:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)c(Cl)c3)ccn2)CC1,ZGWKSAYZHXBMAH-UHFFFAOYSA-N
rxn:4:187206:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1Cl,BVEWTDYNRSIGNV-UHFFFAOYSA-N
rxn:4:187214:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(F)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)cc2Cl)CC1,LQRUFLDRTSRHNV-UHFFFAOYSA-N
rxn:4:187220:223775,COc1ccc2c(c1)c(-c1cc(C3CN(C(=O)OC(C)(C)C)C3)ccc1F)cn2C(=O)OC(C)(C)C,KOUHENWMBDKHRV-UHFFFAOYSA-N
rxn:4:187300:222828,CC1CCN(CCOc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2Cl)CC1,HLHHNOZMCHEBIJ-UHFFFAOYSA-N
rxn:4:187303:223814,COC1CCN(CCc2cc(F)ccc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)CC1,XSUQUKNDDLQPCK-UHFFFAOYSA-N
rxn:4:187303:224586,COC1CCN(CCc2cc(F)ccc2-c2cc(F)ccc2CN2CCC(C)CC2)CC1,BOKRNLODWVSCGM-UHFFFAOYSA-N
rxn:4:187374:224291,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3ccc(OCCN4CCOCC4)c(F)c3)c2)CC1,WLHVHVDLDQKGPI-UHFFFAOYSA-N
rxn:4:187379:225368,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)CC1,OCBDPSWXISNINI-UHFFFAOYSA-N
rxn:4:187406:224246,Cc1cc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)ccc1OCC(=O)N1CCC(C)CC1,KRTKYIKKHUSJLT-UHFFFAOYSA-N
rxn:4:187420:223904,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,YXMQQRHMRUDQOM-UHFFFAOYSA-N
rxn:4:187421:224719,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cn(C(=O)OC(C)(C)C)nc1C(C)C,BSOWRTSIULZYQS-UHFFFAOYSA-N
rxn:4:187438:223928,Cc1cc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,UBQIEKVAESQPEH-UHFFFAOYSA-N
rxn:4:187438:224653,Cc1cc(-c2ccc(Cl)cc2OCC2CCCCO2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,WFVFUNMFCLOQTG-UHFFFAOYSA-N
rxn:4:187476:224656,COc1ccc(-c2ccc(OC3CCN(CC(C)C)CC3)cc2)c(F)c1OC1CCCC1,WNIHMLXVYXGLKM-UHFFFAOYSA-N
rxn:4:187483:222848,CCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3CC)cc2OC)cc(C2CCCNC2)n1,RLURNXNSJDAENP-UHFFFAOYSA-N
rxn:4:187488:224290,CCOc1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,FSNFXRPGWLTLIH-UHFFFAOYSA-N
rxn:4:187488:224396,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C)c2)cc1S(=O)(=O)N1CCC(C)CC1,ZDKKSVQOPWWSBI-UHFFFAOYSA-N
rxn:4:187494:222929,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cc2)C1,SSVGRSUBNWUFPK-UHFFFAOYSA-N
rxn:4:187505:226324,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cccnc3OC3CCCC3)cc2Cl)C1,NTZMQDKEPUZSPC-UHFFFAOYSA-N
rxn:4:187542:225223,COc1cc(-c2cnc(N3CCC(C)CC3)cc2F)cc(OC)c1CN1CCC(C)CC1,YAKOYHKYRJVNKP-UHFFFAOYSA-N
rxn:4:187557:226382,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2cnc(C3CCCCC3)nc2)cc1,UXGBUKXFXOODFB-JOCHJYFZSA-N
rxn:4:187570:225226,Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1-c1cc(N2CCC(C)CC2)ncc1F,LYPCKVKZKRCCMQ-UHFFFAOYSA-N
rxn:4:187573:223526,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1,SMLKMWRWIFHTCM-UHFFFAOYSA-N
rxn:4:187575:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,WMCMSXCAYMFQCI-UHFFFAOYSA-N
rxn:4:187586:223775,COc1ccc2c(c1)c(-c1ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1)cn2C(=O)OC(C)(C)C,JLDPUGDTFVWONE-UHFFFAOYSA-N
rxn:4:187589:226295,CC(C)OCc1ccc(F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,KTJOHLROMHKRIN-UHFFFAOYSA-N
rxn:4:187592:226526,COC(=O)c1ccc(OC)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1,NEMBXTTUCCXSGE-UHFFFAOYSA-N
rxn:4:187593:223521,CC(c1cccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,UVWJVNVESGFEOG-UHFFFAOYSA-N
rxn:4:187594:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,NYDNJPRQBIGFEN-UHFFFAOYSA-N
rxn:4:187594:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(F)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,WUEUTRPJKAWLBU-UHFFFAOYSA-N
rxn:4:187594:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(F)cc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,OFYDGVJSYFAXFH-UHFFFAOYSA-N
rxn:4:187595:223504,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2)CC1,YVGSTMGQCLYXRI-UHFFFAOYSA-N
rxn:4:187596:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(F)c(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,ZXBSDCUVTNICNW-UHFFFAOYSA-N
rxn:4:187625:224877,CC1CCN(Cc2c(OC(C)C)cccc2-c2ccc(COC3CCCCC3)cc2)CC1,FTWDYDZHTHKQIQ-UHFFFAOYSA-N
rxn:4:187639:223581,COC(=O)c1cccc2cc(-c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C3C=CS(=O)(=O)C3)n(C(=O)OC(C)(C)C)c12,ZDTWVBWALBFZJT-UHFFFAOYSA-N
rxn:4:187659:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C4(C)CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,JYFHSLLUHNEQCU-UHFFFAOYSA-N
rxn:4:187695:224874,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc(COC4CCCCC4)c3)c2)CC1,LDIRCEFEHMFHHV-UHFFFAOYSA-N
rxn:4:187822:223652,COc1ccc(Cl)c2cc(-c3ccc4c(c3)CN(CC(=O)OC(C)(C)C)C4=O)n(C(=O)OC(C)(C)C)c12,VYLKVLCMMNWUGM-UHFFFAOYSA-N
rxn:4:187916:223847,CCCCCC1CCC(c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)cc2)CC1,LKRFBVUOFVFSGW-UHFFFAOYSA-N
rxn:4:187944:224569,Fc1cc(OCC2CCCCC2)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,DWGXMQBYAVSAIH-UHFFFAOYSA-N
rxn:4:187944:226341,COc1cc(F)c(C(C)C)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,QLUVGNYIFRPMRN-UHFFFAOYSA-N
rxn:4:187944:226344,COc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c(C2CC2)cc1Cl,HLEKHVBXHQHYNP-UHFFFAOYSA-N
rxn:4:187956:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)cc2)cc1,GSCFPQIXLXOCTC-UHFFFAOYSA-N
rxn:4:187995:223503,CCc1cc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,DYNOZDSZSFNXDB-UHFFFAOYSA-N
rxn:4:187995:223577,CCc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,SULYEPBFLRQYIP-UHFFFAOYSA-N
rxn:4:187999:225287,COc1cc(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,KZNQCUVOGXALCC-UHFFFAOYSA-N
rxn:4:188429:223695,COC(=O)c1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cccc1[N+](=O)[O-],URAHWTPRKWBYDS-UHFFFAOYSA-N
rxn:4:188932:223695,COC(=O)c1cc(Cl)c(S(N)(=O)=O)c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,VKLRQKDFKAJRQI-UHFFFAOYSA-N
rxn:4:189168:224324,O=C1CCN(C(=O)c2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3)ccc2F)CC1,DXCNZWQXTDGGHO-UHFFFAOYSA-N
rxn:4:189217:223696,O=C(ON1C(=O)CCC1=O)c1cccc(F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,ZJDWLFOJZRDANX-UHFFFAOYSA-N
rxn:4:189218:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cccc(F)c1C(=O)ON1C(=O)CCC1=O,JTSWFIVOXQKIGH-UHFFFAOYSA-N
rxn:4:189219:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1F,XOFCVPMQDRFWLC-UHFFFAOYSA-N
rxn:4:189227:225163,O=C(ON1C(=O)CCC1=O)c1c(F)cc(-c2ccccc2C(=O)N2CCOCC2)cc1F,TTZVTCWTNSQMJD-UHFFFAOYSA-N
rxn:4:189700:224817,CN(C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)o1)C1CCS(=O)(=O)C1,NBQCZAGZEPLBJX-UHFFFAOYSA-N
rxn:4:189846:223539,COc1ccc(-c2ccc(C(=O)CN3C(=O)CCCC3=O)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,JSQCAMWOEAUXPW-UHFFFAOYSA-N
rxn:4:189912:222465,COc1cc(CN2CCC(F)C2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NKSJEVSPBPCHKQ-UHFFFAOYSA-N
rxn:4:190025:222722,O=C1CCCCN1CS(=O)(=O)c1ccccc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,PAEMLQNCOCEUBB-UHFFFAOYSA-N
rxn:4:190121:223997,Cc1cc(CC(=O)N2CCOCC2)ccc1-c1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1,RTEMASPTXADZEM-UHFFFAOYSA-N
rxn:4:190171:224375,CC1(C)OC(=O)C(Cc2cc([N+](=O)[O-])ccc2-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)C(=O)O1,LNBAYCHMHVWUHR-UHFFFAOYSA-N
rxn:4:190298:223687,COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)SC1=S,GYEPTUCKKLYDKP-UHFFFAOYSA-N
rxn:4:190310:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN(C)C4CCCCC4)cc3F)c(F)c2)CC1,ILVLJTCEMOAEQV-AFARHQOCSA-N
rxn:4:190361:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC)cc(N4CCC(OC)CC4)c3)c(F)c2)CC1,BXAQGKIXRXQCHT-SOAUALDESA-N
rxn:4:190364:224251,COc1ccc(CN2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCCC(C)C2)cc1F,NQQJNQPJIXAPEE-UHFFFAOYSA-N
rxn:4:190373:225187,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(Cl)ccc1CN1CCOCC1,UFDNCWZHUIMOEC-UHFFFAOYSA-N
rxn:4:190380:222935,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,BLBVNWPXVXZSQK-UHFFFAOYSA-N
rxn:4:190381:224319,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C)c2)C1,SCDBSYIKASQRCM-UHFFFAOYSA-N
rxn:4:190408:223490,Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2[N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SADKERUALMDBQR-UHFFFAOYSA-N
rxn:4:190438:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCN(CC5CCC5)CC4)cc3)c(F)c2)CC1,SFFGPEOBMKAFGA-OJBMAJLDSA-N
rxn:4:190476:225165,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(C(C)(C)C)c2)ccc1N1CCOCC1,YCCAPCRAPQZROJ-UHFFFAOYSA-N
rxn:4:190476:225810,COc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(C(C)(C)C)c2)c(C2OCCO2)c1,IDUFFHAGFWNQIL-UHFFFAOYSA-N
rxn:4:190477:224670,COc1ccc(-c2cc(CN3CCN(C)CC3)ccc2F)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,NGYZYZGMIUSBQN-UHFFFAOYSA-N
rxn:4:190850:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c(Cl)c2)CC1,OAGNFEYPSULDFK-UHFFFAOYSA-N
rxn:4:190932:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)CC1,CRVJTYBFEPEPTM-UHFFFAOYSA-N
rxn:4:190933:223790,CC1c2cc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)ccc2C(=O)N1C(=O)OC(C)(C)C,JKPMBIOJYSRDTQ-UHFFFAOYSA-N
rxn:4:190933:223938,CC1c2cc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)ccc2C(=O)N1C(=O)OC(C)(C)C,YLMZLBASPGXHAC-UHFFFAOYSA-N
rxn:4:190991:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)c1,SQFGZAZHGGCHIH-UHFFFAOYSA-N
rxn:4:191010:223970,COc1ccccc1CN1Cc2cc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)ccc2OCC1=O,YITNYAMKASEJJW-UHFFFAOYSA-N
rxn:4:191059:224397,CCC1CCCCN1C(=O)c1cc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)ccc2oc1=O,FHTHJSYKXGDLBN-UHFFFAOYSA-N
rxn:4:191099:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4c(c3)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)O4)cn2)CC1,CIFGBLGITASGKJ-UHFFFAOYSA-N
rxn:4:191104:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)cc2)CC1,GTMCYNPKGBNZMX-UHFFFAOYSA-N
rxn:4:191104:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)cn2)CC1,GYSFASIKHAIZQF-UHFFFAOYSA-N
rxn:4:191104:223773,COc1cccc2cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)CO4)n(C(=O)OC(C)(C)C)c12,KNZRJKVJPYRIAE-UHFFFAOYSA-N
rxn:4:191115:225899,Cc1cc(-c2ccc3c(c2)COC2(CCN(C(=O)OC(C)(C)C)CC2)O3)n(C(=O)OC(C)(C)C)n1,QNNWOUXJRVITKB-UHFFFAOYSA-N
rxn:4:191120:223975,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)cc1C2=O,XEOAETKPRFJJNT-UHFFFAOYSA-N
rxn:4:191123:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc4c3C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,JHQYYLHWDYFMDF-UHFFFAOYSA-N
rxn:4:191123:223935,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)c32)CC1,MOWNFYLRJLGBBP-UHFFFAOYSA-N
rxn:4:191124:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C3(CC4)CCN(C(=O)OC(C)(C)C)CC3)s2)CC1,DVQONHYVYCOEEW-UHFFFAOYSA-N
rxn:4:191124:223975,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)cc32)CC1,NSGOPKXBADIEBW-UHFFFAOYSA-N
rxn:4:192100:223695,CS(=O)(=O)c1c(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cccc1[N+](=O)[O-],QDOBQTDBMWVKRT-UHFFFAOYSA-N
rxn:4:193237:224009,COc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2F)cc1S(=O)(=O)N1CCOCC1,VVRKDCNWGAYHID-UHFFFAOYSA-N
rxn:4:193344:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(F)cc3CN3CCOCC3)cn2)CC1,GTQFHJVZIFEVLQ-UHFFFAOYSA-N
rxn:4:193560:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C)c(S(=O)(=O)N2CCCC2)c1,XKAAGCVQAYKJMR-UHFFFAOYSA-N
rxn:4:193563:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,MAGZMJSTLYIOEG-UHFFFAOYSA-N
rxn:4:193568:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(C(C)=O)ccc3N3CCOCC3)c2)CC1,VKBJWIMCINQIIX-UHFFFAOYSA-N
rxn:4:193603:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2F)cc1S(=O)(=O)N1CCN(C)CC1,ZRIIUYNPGQEPHO-UHFFFAOYSA-N
rxn:4:193626:222795,CC(C)N1C(=O)C(=Cc2ccc(-c3ccc(NC(=O)N4CCOCC4)cc3)cc2)SC1=S,ONWKWKCDUJXPHV-UHFFFAOYSA-N
rxn:4:193669:223699,COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(N2CCCCC2)c1,JSWAVYLCMVVEHD-UHFFFAOYSA-N
rxn:4:193686:224018,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,UNVYUYFMUQGNDN-UHFFFAOYSA-N
rxn:4:193691:224689,O=C(c1ccc(-c2ccc(C(=O)N3CCC(=C4CC4)CC3)o2)c(Cl)c1)N1CCCCC1,XIUWKXUXQOLGCF-UHFFFAOYSA-N
rxn:4:193691:224767,O=C(c1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)o1)N1CCC(=C2CC2)CC1,RZMBYGVITCTUAT-UHFFFAOYSA-N
rxn:4:193742:223786,CN1CCN(CCCOc2ccc(-c3ccc(N4CCOCC4)c(C4CC4)c3)cc2Cl)CC1,BDEPNHYVIJHPNI-UHFFFAOYSA-N
rxn:4:193827:224251,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cc2)CC1,AFPRWJCXTZCTCY-UHFFFAOYSA-N
rxn:4:193830:224375,CC1CN(C(=O)c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2)CC(C)O1,QEXCSQJYPSFCIR-UHFFFAOYSA-N
rxn:4:193840:222719,CC1CCCN(S(=O)(=O)c2cccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)C1,UEGJQOGCRQPOQE-UHFFFAOYSA-N
rxn:4:193877:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,KBVDJLKCAGCHFN-UHFFFAOYSA-N
rxn:4:193881:224080,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OCCCN3CCCCC3)cc2)CC1,IWQQKYVVXWVZBN-UHFFFAOYSA-N
rxn:4:193883:223840,COc1ccc(-c2cc(S(=O)(=O)N3CCCC(C)C3)c(F)cc2F)cc1S(=O)(=O)N1CCN(C)CC1,YFIUWGCUKCYLHO-UHFFFAOYSA-N
rxn:4:193895:223728,CCCCCC1CCC(c2ccc(-c3cc(OC)cc(N4CCC(C)CC4)c3)c(F)c2)CC1,FKUMGLPRECXACI-UHFFFAOYSA-N
rxn:4:193895:223952,COc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc(N2CCC(C)CC2)c1,INSPQOXAIAXIGB-UHFFFAOYSA-N
rxn:4:193967:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,FEUCRHLECYGQLQ-YHBQERECSA-N
rxn:4:193969:224964,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2ccc(COC3CCOCC3)cc2)c1,LUMZWSKSMACIAV-UHFFFAOYSA-N
rxn:4:194172:223539,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n2c1CCC2,YWFFLPHXKYHYTC-UHFFFAOYSA-N
rxn:4:194668:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CN(CC3CCC3)CCO4)c(F)c2)CC1,JVBCPKPDZVCBJA-AFARHQOCSA-N
rxn:4:194672:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c4c(c3)N(CC3CCCC3)CCO4)cc2)CC1,RAJRYIQGTUXRHP-AFARHQOCSA-N
rxn:4:194729:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)CN(CC1CCOCC1)CC2,KPUSDHZSROATKR-UHFFFAOYSA-N
rxn:4:194730:224615,COC1CCN(C2CCc3cc(-c4cccc(OCCN5CCOCC5)c4)ccc32)CC1,VYLQCHPYOKJCAV-UHFFFAOYSA-N
rxn:4:194731:222514,COc1ccc(-c2ccc3c(c2)C(N2CCC(OC)CC2)CC3)cc1S(=O)(=O)NC1CCCCC1,WSKKUIQGQVYFQA-UHFFFAOYSA-N
rxn:4:194741:222540,COc1cccc2c1OC(C)C(=O)N(c1ccc(F)cc1-c1cccc(C(=O)NCCN3CCCCC3)c1)C2,LQGATYOSWXRQBZ-UHFFFAOYSA-N
rxn:4:194768:224290,COC1CCN(C2CCCc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)ccc32)CC1,GJZIFSGDVBYJNT-UHFFFAOYSA-N
rxn:4:194768:224655,COC1CCN(C2CCCc3cc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4F)ccc32)CC1,BSYSQMLKWHFDCL-UHFFFAOYSA-N
rxn:4:196903:223659,Cc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1N1CCCC1=O,ZOJFYOYQCHQNMF-UHFFFAOYSA-N
rxn:4:197908:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc4c(c3)OC(=O)N(C3CCCC3)C4)cc2)CC1,SZOODCQTLWNVQS-UHFFFAOYSA-N
rxn:4:197967:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCC4N3CCCC(C)C3)c(F)c2)CC1,IFUBVRPFVVDXAS-RZDYAYIMSA-N
rxn:4:197969:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(N3CCCC(C)C3)CC4)c(F)c2)CC1,CIBQCQPRZCPUHV-RZDYAYIMSA-N
rxn:4:197978:223892,CN1CCN(CCCOc2ccc(-c3ccc4c(c3)CCCC4N3CCCC(F)(F)C3)cc2)CC1,AAYURMOXZAUSRS-UHFFFAOYSA-N
rxn:4:197986:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc2c1CCCC2N1CCCCC1C,WASMVGSZTLYFLA-UHFFFAOYSA-N
rxn:4:197987:224552,CC1CCCN(C2CCCc3c(-c4cc(F)cc(COC5CCCCC5)c4)cccc32)C1,LPXGBWKMNAKWMW-UHFFFAOYSA-N
rxn:4:197989:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCCC4N3CCCCC3C)c(F)c2)CC1,AGQAMMUJZAVAHD-HLOZCODHSA-N
rxn:4:198014:223836,COc1ncnc2c1cc(-c1ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc1)n2C(=O)OC(C)(C)C,PXNPYONLRDFBQG-UHFFFAOYSA-N
rxn:4:199304:223539,COc1ccc(-c2cc3c(cc2F)CCN(C)C3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,NZKJBNIKRKFMEK-UHFFFAOYSA-N
rxn:4:199570:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cncc(OC[C@H]4CCN4C(=O)OC(C)(C)C)c3)cn2)C1,ISZPETYIMLPBMX-VQCQRNETSA-N
rxn:4:199577:223598,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CC1,MANUZTCMDRXWMQ-UHFFFAOYSA-N
rxn:4:199577:225570,COC(=O)c1ccc(C2CC2)c(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)c1,QLYQBZCJWSPMJX-UHFFFAOYSA-N
rxn:4:199622:225827,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc2)CC1,VKFOAKXDWWSHCI-UHFFFAOYSA-N
rxn:4:199645:222929,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)n1,QQVJFISSOUEFTG-UHFFFAOYSA-N
rxn:4:199649:223498,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,VJYLQFMTXYYTBU-UHFFFAOYSA-N
rxn:4:199649:225233,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(Cl)c(N2CCCC(C)C2)c1,VKOXSNIXIFQWLX-UHFFFAOYSA-N
rxn:4:199652:223939,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C1,WLAZDMIYDUORPE-UHFFFAOYSA-N
rxn:4:199661:223881,COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccc(-c3cc4ccc(C)cc4n3C(=O)OC(C)(C)C)cn2)C1,XTHHGWJCBWPMIS-UHFFFAOYSA-N
rxn:4:199705:223958,CCN1CCN(CCCOc2cc(-c3ccc(C(=O)N4CCN(CC)CC4)c(F)c3)ccc2C)CC1,QNEHCUNRKKWBNV-UHFFFAOYSA-N
rxn:4:199711:225975,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccnc(N4CCOCC4)c3Cl)nc2)C1,AMWUWJRMXOSRFP-UHFFFAOYSA-N
rxn:4:199714:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,KRWWRORDWPPBLU-UHFFFAOYSA-N
rxn:4:199726:225798,CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(-c3ccc(OC4CCOCC4)nc3)cc(C#N)c2F)CC1,NNDOSBNQGMPKOP-UHFFFAOYSA-N
rxn:4:199726:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(C#N)c(F)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1,GOYVZDGJAMJJBH-UHFFFAOYSA-N
rxn:4:199741:224653,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(-c3ccc(Cl)cc3OCC3CCCCO3)c2)CC1,OKOMGYVVTANEJU-UHFFFAOYSA-N
rxn:4:199743:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XFKZNEPXLUZMEO-UHFFFAOYSA-N
rxn:4:199743:228146,CCc1cncc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1OC,DDUXUJLAHKUFEV-UHFFFAOYSA-N
rxn:4:199760:227549,COC(=O)c1cc(Cl)ccc1-c1ccccc1N1CCN(C(=O)OCC[Si](C)(C)C)CC1,RPXZNLBTPGCJDN-UHFFFAOYSA-N
rxn:4:199763:222948,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3cnc(N4CCC(O)CC4)nc3Cl)c2)CC1,GQZWPNAWEFAONB-UHFFFAOYSA-N
rxn:4:199763:224277,CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)c(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)CC1,LWIIXFXLKOFYDY-UHFFFAOYSA-N
rxn:4:199764:223498,COC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CNLOAJDUWUYIGY-UHFFFAOYSA-N
rxn:4:199764:223646,COC(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,KTGADARATKVAQH-UHFFFAOYSA-N
rxn:4:199766:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NRKPMTYKONFTDO-UHFFFAOYSA-N
rxn:4:199766:223934,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)CC1,BYCINLBCECHTNN-UHFFFAOYSA-N
rxn:4:199769:229142,COc1cc(Cl)c(-c2cccc(F)c2Cl)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,ATQWPQXBMAVNNR-UHFFFAOYSA-N
rxn:4:199770:222753,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C(=O)NCc2cccs2)c1,RBDNGRACNAAUFQ-UHFFFAOYSA-N
rxn:4:199770:223832,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC,CSOCRBGUWKLNHC-UHFFFAOYSA-N
rxn:4:199770:228467,COC(=O)c1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2C(=O)OC)c(F)s1,BBSCZUKAENAOCX-UHFFFAOYSA-N
rxn:4:199771:224160,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1,GVFWROMBXQVKKE-UHFFFAOYSA-N
rxn:4:199771:226729,CC(C)(C)OC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2-c2cnc(OC3CCOC3)nc2)CC1,FHRFTRDDOVQRAY-UHFFFAOYSA-N
rxn:4:199778:223932,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1,LWYCSRUQDNANTM-UHFFFAOYSA-N
rxn:4:199785:223933,Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc2cc(F)ccc2n1C(=O)OC(C)(C)C,GXHCJWHPROADKX-UHFFFAOYSA-N
rxn:4:199791:223596,COc1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VUIPEYUARRHYHX-UHFFFAOYSA-N
rxn:4:199809:226511,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(Cl)cnc2OCC2CC2)c1,KSVHSIMKYKRMLC-UHFFFAOYSA-N
rxn:4:199812:223560,COC(=O)c1cc(-c2ccc(-c3cc(F)ccc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2)nc2ccccc12,IZWUAAUOAQILGS-UHFFFAOYSA-N
rxn:4:199812:223659,CC1CN(C(=O)Cc2ccc(F)cc2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCN1C(=O)OC(C)(C)C,HXIBMXBTRFEHTJ-UHFFFAOYSA-N
rxn:4:199829:228224,Cc1cc(C#N)cc(-c2ccc(Cl)c(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1Cl,VWZFWPYSAHRMRY-UHFFFAOYSA-N
rxn:4:199831:226295,CC(C)OCc1ccc(F)cc1-c1ccc(F)c(CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1,ALKSWQRIGCLTHA-HXUWFJFHSA-N
rxn:4:199834:223743,Cc1ccc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc2F)cc1OCCCN1CCC(C)CC1,OBFFRLSWJQXORK-UHFFFAOYSA-N
rxn:4:199842:224760,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,BWHIIKMJTITYGW-UHFFFAOYSA-N
rxn:4:199865:226714,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccnn3C(=O)OC(C)(C)C)cc2)[C@@H](c2ccc(Cl)cc2)C1,BHOZEAAQEODWKU-RUZDIDTESA-N
rxn:4:199870:226716,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccn(C(=O)OC(C)(C)C)n1,MNANFECOEVXKAO-UHFFFAOYSA-N
rxn:4:199874:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2)C1,UCDKBVFSQFRSBE-UHFFFAOYSA-N
rxn:4:199874:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CCCN4C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,VFDBXBPJODYCMC-UHFFFAOYSA-N
rxn:4:200008:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4c(ccn4CC4CCN(C(=O)OCc5ccccc5)CC4)c3)cc2C1,DUFGSEKDAWZBPV-UHFFFAOYSA-N
rxn:4:200026:227114,COC(=O)C1=C(C)N=C2SC(Cc3ccc(-c4cc(C5CC5)cc(C)c4Cl)cc3)C(=O)N2C1c1ccc(OC)cc1,MHGXEDMAJYLPCR-UHFFFAOYSA-N
rxn:4:200120:223493,COC(=O)Cc1c([N+](=O)[O-])ccc(C#N)c1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,XAPDOWFQVSJXDH-UHFFFAOYSA-N
rxn:4:200353:225124,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1ccnc(OCC2CCOCC2)c1,LVCZWDMSGSDKJA-UHFFFAOYSA-N
rxn:4:200368:223933,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)c(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)C1,MPQQRVOHTMKJQI-UHFFFAOYSA-N
rxn:4:200371:223932,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)c2)C1,CJMHOQTZCRDYKL-UHFFFAOYSA-N
rxn:4:200371:223939,CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)C1,LBEZVCMIOMVJDH-UHFFFAOYSA-N
rxn:4:200372:225295,O=C(CCc1ccccc1-c1ccccc1S(=O)(=O)N1CCCC1)N1CC(N2C(=O)CSC2=O)C1,ZCTHQYFQDIYKCQ-UHFFFAOYSA-N
rxn:4:200384:225616,O=C(CCc1ccccc1-c1ccccc1C(=O)N1CCCC1)N1CC(N2C(=O)COC2=O)C1,PEBUDZALCGIRMP-UHFFFAOYSA-N
rxn:4:200386:227239,COC(=O)Cc1ccc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1,UCHSARLAQQMSAM-UHFFFAOYSA-N
rxn:4:200445:224008,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccccc3)cc2)cc([N+](=O)[O-])c1)N1CCOCC1,ZBEJODYGCPJHOL-UHFFFAOYSA-N
rxn:4:200477:223581,COC(=O)c1cccc2cc(-c3cnc(OC)c(C4CN(C(=O)OC(C)(C)C)C4)c3)n(C(=O)OC(C)(C)C)c12,CSVGCTJEGCQHTJ-UHFFFAOYSA-N
rxn:4:200567:223835,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c(C)c2)CC1,PJTVFCYFVWPPDZ-UHFFFAOYSA-N
rxn:4:200567:227763,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(OC)c(Cl)c(F)c3F)c(C)c2)CC1,ZMTLBTSOVZGJGB-UHFFFAOYSA-N
rxn:4:200573:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccc(Cl)c(C(=O)N2CCC(CSC3=NCCS3)CC2)c1,RVBNCCITMNKQJW-UHFFFAOYSA-N
rxn:4:200573:227478,COC(OC)c1cncc(-c2ccc(Cl)c(C(=O)N3CCC(CSC4=NCCS4)CC3)c2)c1,CAQNLAZNQUZLDI-UHFFFAOYSA-N
rxn:4:200596:222432,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)n2)CC1,CNRLKHCSCXTTNK-UHFFFAOYSA-N
rxn:4:200600:224009,CCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,AWAYGUUADBBOEY-UHFFFAOYSA-N
rxn:4:200604:226539,CCOC(=O)c1ccc(Cl)cc1-c1cncc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1,CJKVDCACMRQQTM-GOSISDBHSA-N
rxn:4:200605:224158,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,SJFLGVWXZDXPTQ-UHFFFAOYSA-N
rxn:4:200607:223938,CC(C)(C)OC(=O)N1CCC(Oc2ncccc2-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)CC1,BMFDCWGNXQWAHN-UHFFFAOYSA-N
rxn:4:200608:223761,COc1ncc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cc1C1CCN(C(=O)OC(C)(C)C)C1,STVMTGRFMWSMEQ-UHFFFAOYSA-N
rxn:4:200649:222886,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2-c2ccc(N3CCNCC3)cc2C#N)CC1,KQAICXASSBAGLF-UHFFFAOYSA-N
rxn:4:200649:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,VYNQUGNTBILFIT-UHFFFAOYSA-N
rxn:4:200650:226655,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2cc(Cl)cnc2N2CCCC2)CC1,TXFXNUGHFDRTDP-UHFFFAOYSA-N
rxn:4:200654:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc(C#N)cc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,FNBSOTQBFAYZSB-UHFFFAOYSA-N
rxn:4:200671:222733,O=C(Nc1ccccc1)c1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,XVUDIXZLWDYXIL-UHFFFAOYSA-N
rxn:4:200671:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1,BNWRLGORULFMKV-UHFFFAOYSA-N
rxn:4:200671:225296,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(N2C(=O)COC2=O)CC1,SJLWGZIMUDPDHI-UHFFFAOYSA-N
rxn:4:200671:227274,CC(=O)SCc1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1,RVQICQQRYUFCKW-UHFFFAOYSA-N
rxn:4:200695:225909,CCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(F)(F)F)c1,LKJBRCILGYVQEI-UHFFFAOYSA-N
rxn:4:200698:224285,COC(=O)c1cc(-c2ccc(OCCN3CCOCC3)cc2F)ccc1CN1CCN(C(C)C)CC1,PANBAFYFPAVUIJ-UHFFFAOYSA-N
rxn:4:200700:222426,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)CC1,NTPJCONJFUIFLL-UHFFFAOYSA-N
rxn:4:200702:224277,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)c2)CC1,XKWOGFABZUHHCT-UHFFFAOYSA-N
rxn:4:200702:224278,CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c2)CC1,CGLLUHAJJZEFFE-UHFFFAOYSA-N
rxn:4:200708:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc21,RLRGGVROXLAIGD-UHFFFAOYSA-N
rxn:4:200708:223933,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c(F)c2)CC1,OBZSWHYFDQUOQE-UHFFFAOYSA-N
rxn:4:200709:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)cn1,YTOHXIHESZGOKU-UHFFFAOYSA-N
rxn:4:200709:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,GJVZWPVVKQUQCS-UHFFFAOYSA-N
rxn:4:200710:223941,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c2)CC1,KYUFWDLEHOTTHQ-UHFFFAOYSA-N
rxn:4:200712:226253,CCCOc1cc(OC)cc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,ULBBPNVYCRLTBP-UHFFFAOYSA-N
rxn:4:200720:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,CFANTKCVCOXLAU-UHFFFAOYSA-N
rxn:4:200727:223761,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc2F)CC1,SOPSLHNBIRGMBM-UHFFFAOYSA-N
rxn:4:200730:228325,COc1cc(OC)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)cn1,VPRHGDMSTOJINZ-UHFFFAOYSA-N
rxn:4:200733:222492,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(NC(=O)OCc4ccccc4)c(F)c3)cc2C(F)(F)F)CC1,PONMSTSWHQWSMO-UHFFFAOYSA-N
rxn:4:200734:223608,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)c(F)c2)CC1,LTDBRAAEOQPBNO-UHFFFAOYSA-N
rxn:4:200741:222430,COc1cc(C)c(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1,VTYFRGFDYTVGJA-UHFFFAOYSA-N
rxn:4:200760:224277,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,BAMNPOWVVDSQDE-UHFFFAOYSA-N
rxn:4:200766:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(COc5ccnc(C)c5)CC4)c3)cc2)CC1,VKSQHOHGKGQHGX-UNWRIRMBSA-N
rxn:4:200783:223573,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,LYPGSGGDFNIKCA-UHFFFAOYSA-N
rxn:4:200783:223937,Cc1cc(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,HNROUQZDGVEFQJ-UHFFFAOYSA-N
rxn:4:200783:228211,Cc1cc(-c2cc(N3CCCC3)cs2)ccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1,LAGZLLQQWURCPS-UHFFFAOYSA-N
rxn:4:200791:223931,C[C@H]1CN(C(=O)c2ccc(F)c(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)CCN1C(=O)OC(C)(C)C,OAYVITZOLTXLDC-SFHVURJKSA-N
rxn:4:200799:224906,O=C(c1ccccc1)c1cccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,OPRLWEZSMYSQLP-UHFFFAOYSA-N
rxn:4:200803:224391,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,VNYZLQMSTDZXGY-UHFFFAOYSA-N
rxn:4:200814:222947,Cc1cc(-c2cnc(N3CCCC(O)C3)nc2Cl)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,FEIVEXHXIZUTNQ-UHFFFAOYSA-N
rxn:4:200814:223669,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,YUDZHRSVZXEGFB-UHFFFAOYSA-N
rxn:4:200817:224278,CC(c1ccccc1-c1cnc2c(ccn2C(=O)OC(C)(C)C)c1)N1CCN(C(=O)OC(C)(C)C)CC1,YYNLBVFYEPHELO-UHFFFAOYSA-N
rxn:4:200821:226857,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc2)CC1,OBWAPICLVBVUGO-UHFFFAOYSA-N
rxn:4:200822:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)cc2[N+](=O)[O-])CC1,CMEGQNKCZHMOIX-UHFFFAOYSA-N
rxn:4:200822:225218,CC1CCCN(c2ncc(-c3cccc(S(=O)(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)C1,QOPPUNMEBSUOMD-UHFFFAOYSA-N
rxn:4:200823:225829,Cc1cc(-c2cnc(N3CCC(C)CC3)nc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,SYFYMSOOONKGGX-UHFFFAOYSA-N
rxn:4:200823:226138,Cc1cc(-c2c(C)cc(C#N)cc2C2CC2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FBQKVHTZPXUVKH-UHFFFAOYSA-N
rxn:4:200824:223931,Cc1ccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UTHOVLDCFACRQY-UHFFFAOYSA-N
rxn:4:200825:222997,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1C1CCCNC1,UNLUGPAIVCCEDP-UHFFFAOYSA-N
rxn:4:200826:223536,Cc1cc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,NUOUKWNOZOMSSX-UHFFFAOYSA-N
rxn:4:200826:225138,Cc1cc(-c2ccn(-c3ccnc(C4CC4)c3)n2)cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UVIDVEHYPOJGNY-UHFFFAOYSA-N
rxn:4:200828:225294,CCN1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4C)c(F)cc3F)cn2)CC1,IYORUAUELPIBOK-UHFFFAOYSA-N
rxn:4:200828:225525,CCOC(=O)CCc1ccccc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c(F)cc1F,FKFOSJMTYKYEME-UHFFFAOYSA-N
rxn:4:200839:223671,COc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,OHGCRDYEFMRKBA-UHFFFAOYSA-N
rxn:4:200839:223888,COc1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,MNBGYTJEZYMNTE-UHFFFAOYSA-N
rxn:4:200839:226833,COc1c(-c2ccc(OCC(F)(F)F)nc2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,GNYLHGVWFUYDST-UHFFFAOYSA-N
rxn:4:200845:222812,CC(C)(C)OC(=O)Nc1cc(-c2cc(C3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,OSQLKIBZIXNKQV-UHFFFAOYSA-N
rxn:4:200866:225877,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccc(Cl)cc2N2CCOCC2)c1,SWRCGBBKTQCSCV-UHFFFAOYSA-N
rxn:4:200866:228325,COc1cc(OC)c(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cn1,JWVLXLZEPZGIHK-UHFFFAOYSA-N
rxn:4:200882:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)c1,NRRZFRCQOYNOTC-UHFFFAOYSA-N
rxn:4:200882:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1,ATKRMJKZSYOOFW-UHFFFAOYSA-N
rxn:4:200892:223970,CCOc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,XXYCVHKIOZGIPP-UHFFFAOYSA-N
rxn:4:200892:225952,CCOc1ccc(-c2cnc(N3CCOCC3)nc2C)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,URFUNKLLPPGLEZ-UHFFFAOYSA-N
rxn:4:200895:228225,O=C(c1ccc(-c2cc(Cl)cnc2C2CC2)cc1)N1CCCCC1CCN1CCCCCC1,MOKPQADZMUJJJY-UHFFFAOYSA-N
rxn:4:201104:225262,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5ccc(C(=O)N(C)OC)cc5OC)cc4)C(=S)N32)cc1OC,LJSVLGBQYXJQKO-UHFFFAOYSA-N
rxn:4:201109:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(c3)N(CC3CCN(C(=O)OC(C)(C)C)C3)C(=O)CO4)c2)CC1,RKXFUPJSSLLFSQ-UHFFFAOYSA-N
rxn:4:201109:225361,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4cn(C5CCCC5)nc4C(F)(F)F)cc32)C1,MVYOBVPEUVYNHV-UHFFFAOYSA-N
rxn:4:201607:223576,COC(=O)c1ccc(Cn2nc(C)c(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2C)o1,RTARAXXODBCADS-UHFFFAOYSA-N
rxn:4:201607:223579,COC(=O)c1ccc(Cn2nc(C)c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)c2C)o1,PSDFBKSHZUPALL-UHFFFAOYSA-N
rxn:4:201664:223489,CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,FPXPBPNPLJQOHJ-UHFFFAOYSA-N
rxn:4:201704:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)o1,SMVVAOVCNWSUNC-UHFFFAOYSA-N
rxn:4:201732:224327,CCOC(=O)C1CCC(n2cc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)cn2)CC1,BACWPEWDAMDDEF-UHFFFAOYSA-N
rxn:4:201733:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C(=O)OC)n(CC4CCCCC4)n3)cc2)CC1,YVGUKQRCAZPNCT-UHFFFAOYSA-N
rxn:4:201733:224633,COC(=O)c1cc(-c2cc(CN3CCOCC3)ccc2OC)nn1CC1CCCCC1,UWDWDWCHHLRNHQ-UHFFFAOYSA-N
rxn:4:201733:224742,COC(=O)c1cc(-c2cc(C3OCCO3)c(OC)cc2OC)nn1CC1CCCCC1,SGEGNNAOYMOMKA-UHFFFAOYSA-N
rxn:4:201765:225269,COC(=O)c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c(C(=O)OC)c1,FUWSBHVRVCMKHF-UHFFFAOYSA-N
rxn:4:201774:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cs1,CZMWVHIVBMWYNG-SFHVURJKSA-N
rxn:4:201775:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3nc(C4CCN(C(=O)OC(C)(C)C)C4)cs3)cc2)CC1,QPMBKSBMAAIDRP-UHFFFAOYSA-N
rxn:4:201775:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3nc(C4CCN(C(=O)OC(C)(C)C)C4)cs3)ccc2C1,QDJIIDOFRUIPHX-UHFFFAOYSA-N
rxn:4:201776:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(C2CCN(C(=O)OC(C)(C)C)C2)s1,QIYKCGQTWYENIO-UHFFFAOYSA-N
rxn:4:201779:223847,CCCCCC1CCC(c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,PVHORHJQDHVUGU-UHFFFAOYSA-N
rxn:4:201837:224718,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)s2)C1,XNUOYZRLOVPQAT-UHFFFAOYSA-N
rxn:4:201907:225296,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)N1CCC(N2C(=O)COC2=O)C1,VTBMXAZYEYDLAY-UHFFFAOYSA-N
rxn:4:201923:222971,CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)CC1,ATSSMUARLZJMFF-UHFFFAOYSA-N
rxn:4:201927:223790,CC(C)(C)OC(=O)N1CCC(c2nc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)cs2)CC1,DEGRZTYQOGRBGA-UHFFFAOYSA-N
rxn:4:201928:223761,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)C1,XHQPCTMTWWMLDG-UHFFFAOYSA-N
rxn:4:201932:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c1,TZWHQIFWYZZDBE-UHFFFAOYSA-N
rxn:4:201945:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc([C@H]4CCCN4C(=O)OC(C)(C)C)c3)cn2)CC1,GBBDSFQPJBQVBX-JOCHJYFZSA-N
rxn:4:201954:224171,COC(=O)c1ccc(-c2ccc(OCCCN3CCCC3)c(F)c2)c(CN2CCN(C)CC2)c1,ZCDDAKNAQGXKQE-UHFFFAOYSA-N
rxn:4:201995:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,SPIDRTITFXDCME-UHFFFAOYSA-N
rxn:4:201996:224720,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)c2)C1,ORSNBMJHNYJDFV-UHFFFAOYSA-N
rxn:4:201996:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccn1,YDOUCHQQBJWOLB-UHFFFAOYSA-N
rxn:4:201996:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ccn1,YYWJNJCFLDHZQX-UHFFFAOYSA-N
rxn:4:202001:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4COCCN4C(=O)OC(C)(C)C)ccn3)cc2Cl)CC1,VRCLSHKXFXWLAI-UHFFFAOYSA-N
rxn:4:202001:225898,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cnn(CCN3CCOCC3)c2)c1,SZQYWYAFJBIXLH-UHFFFAOYSA-N
rxn:4:202011:223931,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1,UGFMXBJNSMUAFF-UHFFFAOYSA-N
rxn:4:202015:225320,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2F)cnc1N1CCOCC1,VSIPDPKLRDBKQH-UHFFFAOYSA-N
rxn:4:202020:224720,CC(C)(C)OC(=O)N1CCOC(c2ccncc2-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)C1,HXRDLZWWOCZLAJ-UHFFFAOYSA-N
rxn:4:202068:225181,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cccc(CN2CCOCC2)c1F,XGDJZPXXYSXJBG-UHFFFAOYSA-N
rxn:4:202081:222631,CC(C)(C)c1cc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ccncc4)C3)cc2)cc(C2CCNCC2)n1,BSDOAIIPCKVIEU-UHFFFAOYSA-N
rxn:4:202093:223753,Cc1ccc(-c2ccc(CCN3CCN(C(C)C)CC3)cc2)cc1OCCCN1CCN(C)CC1,RMBVFHFRVCNGIF-UHFFFAOYSA-N
rxn:4:202095:226084,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccc2c(c1)C(=O)CCCC2,ADEKBQXWYQUSBC-UHFFFAOYSA-N
rxn:4:202104:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,HUWNHUAPTLWWHN-UHFFFAOYSA-N
rxn:4:202106:222957,Cc1cc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)cc(C2CCCNC2)c1,SJUQIGRCKHFSQT-UHFFFAOYSA-N
rxn:4:202107:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,RAYDBGZQKNJPAL-UHFFFAOYSA-N
rxn:4:202125:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)N5CCN(CC)CC5)CC4)cc3)c(F)c2)CC1,JORGGGPATFMEJY-DIVCQZSQSA-N
rxn:4:202125:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4(C(=O)N5CCN(CC)CC5)CC4)cc3)c(F)c2)CC1,JORGGGPATFMEJY-UHFFFAOYSA-N
rxn:4:202126:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C,BJGLJYWLIGFQNS-UHFFFAOYSA-N
rxn:4:202127:222886,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc(N3CCNCC3)cc2C#N)CC1,PKTWYEZMDUXILI-UHFFFAOYSA-N
rxn:4:202132:226663,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCSCC4)nc3)cc2Cl)CC1,HUZOUVXEPTVHSG-UHFFFAOYSA-N
rxn:4:202139:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(CN2CCC(N(C)C)CC2)cc1C(F)(F)F,HARGXSMGJGDXLT-UHFFFAOYSA-N
rxn:4:202146:225227,CC1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3F)cc2Cl)CC1,YYGZAKMJNBNDGV-UHFFFAOYSA-N
rxn:4:202161:222775,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CN2CCC(O)CC2)c(F)c1,YHDLINCEGKWPOI-UHFFFAOYSA-N
rxn:4:202161:224462,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C2CCN(C3CC3)CC2)cc1,STQYHRQRLDUULT-UHFFFAOYSA-N
rxn:4:202161:224566,COC(=O)C1(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3OC)cc2)CCCC1,KYNRTUAQZJJMND-UHFFFAOYSA-N
rxn:4:202161:224874,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cccc(COC2CCCCC2)c1,AGKKIPWYCGJNEO-UHFFFAOYSA-N
rxn:4:202175:223881,Cc1ccc2cc(-c3ccc(S(=O)(=O)N4CCCC4C(=O)N4CCOCC4)cc3)n(C(=O)OC(C)(C)C)c2c1,OERCCAFLRJCAQW-UHFFFAOYSA-N
rxn:4:202175:227086,O=C(C1CCCN1S(=O)(=O)c1ccc(-c2ccnc(C3CCCC3)c2)cc1)N1CCOCC1,ZTMPTSVXDRMZPA-UHFFFAOYSA-N
rxn:4:202184:222645,OC1CCN(CCOc2cccc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c(C(F)(F)F)c3)c2)CC1,VJRMJAZZDQGVHZ-UHFFFAOYSA-N
rxn:4:202202:227390,O=C(C1CN(Cc2ccccc2-c2ccnn2C2CCCCC2)CCO1)N1CCOCC1,FQNUIJHMSMOXST-UHFFFAOYSA-N
rxn:4:202211:222522,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccc(C)n4)CC3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,UPWOGPOHSZMYCO-UHFFFAOYSA-N
rxn:4:202211:224770,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccc(C)n4)CC3)cc2)cc(S(=O)(=O)N2CCCC2)c1,MTEMFUFAAWVQLE-UHFFFAOYSA-N
rxn:4:202222:223525,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,WQPDRQXIKVVPFP-UHFFFAOYSA-N
rxn:4:202228:223728,CCCCCC1CCC(c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,FZCMQZRKJWCULV-UHFFFAOYSA-N
rxn:4:202230:223531,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,FJZZJJQJRBBMKK-UHFFFAOYSA-N
rxn:4:202230:223818,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)c1,SUMPUDMZXJIQJS-UHFFFAOYSA-N
rxn:4:202237:223669,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,JGUORKVCLYEIJC-UHFFFAOYSA-N
rxn:4:202237:223931,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)cn1,OMYXUBIBYJCKJE-UHFFFAOYSA-N
rxn:4:202237:224271,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cn1,DGMBFKYFHXBZBY-UHFFFAOYSA-N
rxn:4:202284:225168,COc1ccc(-c2ccc(CN3CCOCC3)c(F)c2)cc1CN1CCC(N2CCCC2)CC1,KNOQMENDUIXKGS-UHFFFAOYSA-N
rxn:4:202290:225743,COC(=O)Cc1ccc(OC)c(-c2ccc(S(=O)(=O)N3CCC(N4CCC(OC)C4)CC3)cc2)c1,HQMYCHHQBBMGEA-UHFFFAOYSA-N
rxn:4:202290:227827,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)ccc4C)cc3)CC2)C1,SBNVYRHAWFDXRI-UHFFFAOYSA-N
rxn:4:202290:227828,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CC5)c4C)cc3)CC2)C1,MQYKWZLOJDVIBJ-UHFFFAOYSA-N
rxn:4:202306:223647,CCN1CCN(Cc2cc(-c3ccc(OCc4cc(OC)cc(OC)c4)c(Cl)c3)cc(C(C)(C)C)c2)CC1,IYHRTVAKVCBFHG-UHFFFAOYSA-N
rxn:4:202306:224741,CCN1CCN(Cc2cc(-c3c(OC)cc(C4OCCO4)cc3OC)cc(C(C)(C)C)c2)CC1,IHPGDVBACVYIMF-UHFFFAOYSA-N
rxn:4:202309:227300,CN(Cc1ccc(-c2cncc(OC3CCC3)c2)cc1N1CCOCC1)C1CCOCC1,AZQLAMCXFHWAFO-UHFFFAOYSA-N
rxn:4:202310:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,WNHUTNHXPMBMMR-UHFFFAOYSA-N
rxn:4:202311:227386,O=C(C1CCN(Cc2ccc(-c3cnn(C4CCCCC4)c3)cc2)CC1)N1CCC(F)(F)CC1,BIUOZNSJXTURPU-UHFFFAOYSA-N
rxn:4:202312:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c3)cc2)CC1,MTWPZMKMRRLOLN-FBSWEULCSA-N
rxn:4:202328:227836,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C)cc3C3CC3)CC2)CC1,BHZVZBLSHMTGPD-UHFFFAOYSA-N
rxn:4:202330:225879,COc1ccc(-c2ccc(N3CCOCC3)cc2F)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,BIRUOFIXOZHTHL-UHFFFAOYSA-N
rxn:4:202331:222702,COc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,RDFKBLSKXZKBOH-UHFFFAOYSA-N
rxn:4:202461:223945,CC(C)(C)OC(=O)n1nc(C(F)(F)F)c2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ccc21,MBGMEVRHXJUXJC-UHFFFAOYSA-N
rxn:4:202540:222826,CCOC(=O)c1cnc2c(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cccc2c1N1CCOCC1,MOWQGYRZXKUGND-UHFFFAOYSA-N
rxn:4:202540:223608,CCOC(=O)c1cnc2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cccc2c1N1CCOCC1,RSMGGQYMNALUMU-UHFFFAOYSA-N
rxn:4:202564:222947,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cnc(N5CCCC(O)C5)nc4Cl)cc3C2=O)C1,UBUNMAMKRYWPDL-UHFFFAOYSA-N
rxn:4:202656:224371,COC(=O)C1CCN(c2ncc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)cccc4s3)cn2)CC1,LBCYBILKJAFGLJ-UHFFFAOYSA-N
rxn:4:202689:228265,CC(=O)c1cc(-c2ccc3c(c2)CN(C2CCC(=O)N(C(=O)OC(C)(C)C)C2=O)C3=O)ccc1Cl,ALDQYVGEDGDKOY-UHFFFAOYSA-N
rxn:4:202706:222721,O=S(=O)(c1ccccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1)N1CCC(Oc2cccc3cccnc23)CC1,GETGUKBUSFPTJD-UHFFFAOYSA-N
rxn:4:202713:223502,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3C2=O)CC1,MABXPLPLJYBEON-UHFFFAOYSA-N
rxn:4:202714:223888,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc23)C1,CPFLXYOCBAHJQH-UHFFFAOYSA-N
rxn:4:202755:229159,COc1ncc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)cn1,COFJEQXPAVOUFM-UHFFFAOYSA-N
rxn:4:203066:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C)nc1OCC(C)(F)F,XFIOIZGWLWJNOD-UHFFFAOYSA-N
rxn:4:203072:223489,CCOC(=O)c1nc(C)ncc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,SSLYQVTUHKJHLY-UHFFFAOYSA-N
rxn:4:203592:224008,O=C(c1cc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1)N1CCOCC1,CBAWZVDUOIOONO-UHFFFAOYSA-N
rxn:4:203593:224817,O=C(c1cc(-c2ccccc2S(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1)N1CCSCC1,NYRXVEHGZHHUOF-UHFFFAOYSA-N
rxn:4:203684:222389,COc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cncc1S(=O)(=O)N1CCOCC1,LZHGWJDOZFLCKT-UHFFFAOYSA-N
rxn:4:203833:225800,O=C(c1ccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1)N1CCSC1,YOQDARMXSDLXTL-UHFFFAOYSA-N
rxn:4:203833:225877,O=C(c1ccc(-c2ccc(Cl)cc2N2CCOCC2)o1)N1CCC(N2C(=O)CSC2=O)CC1,AGNCIBTVAUMNBK-UHFFFAOYSA-N
rxn:4:203833:226290,CC(C)OC(=O)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)c1,FKPWPQYMNBGHTL-UHFFFAOYSA-N
rxn:4:203833:227580,COc1cc(Cl)c(-c2ccc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)o2)cc1OC,OIZFQKAWQZKDIM-UHFFFAOYSA-N
rxn:4:203833:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)o1,VJKIIRKYQFJSJO-UHFFFAOYSA-N
rxn:4:203841:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)cc2)CC1,HJIHQXQSXCOUGG-UHFFFAOYSA-N
rxn:4:203884:224760,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,IYXHRYHYVOCYGQ-UHFFFAOYSA-N
rxn:4:203885:223481,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)c2)CC1,VQFPTPWAAMYQJX-UHFFFAOYSA-N
rxn:4:203887:224377,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,VQQCIHMAAOFGIO-UHFFFAOYSA-N
rxn:4:203897:224753,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3C)c2)CC1,KYPQBKDITWAEOJ-UHFFFAOYSA-N
rxn:4:203907:222826,CN1CCN(Cc2cc(C(F)(F)F)ccc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,KOBNVUISSPRNHT-UHFFFAOYSA-N
rxn:4:203907:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3CN3CCN(C)CC3)c2)C1,FZACCOGDFAAKFX-UHFFFAOYSA-N
rxn:4:203914:222730,CCCc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(F)(F)F)cc(C2CCNCC2)n1,KCCRRCFGDWEYBC-UHFFFAOYSA-N
rxn:4:203914:226643,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)nc3)c(C(F)(F)F)c2)CC1,DIRBCXDRAHWOGN-UHFFFAOYSA-N
rxn:4:203929:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc([N+](=O)[O-])c(C)cc3OC3CCN(C)CC3)c(F)c2)CC1,VIAZYPYSPJBPHG-MEMLXQNLSA-N
rxn:4:203937:224773,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)ccc1S(=O)(=O)N1CCCC1,QCPYGDVNDFMHGX-UHFFFAOYSA-N
rxn:4:203939:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2)CC1,MTJPWUOKTHGFFI-UHFFFAOYSA-N
rxn:4:203972:222631,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(C)c2)CC1,ROZMQPXDWORHIY-UHFFFAOYSA-N
rxn:4:203985:224750,O=C(c1cc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)ccc1Cl)N1CCOCC1,QGYOPKXANRGWTB-UHFFFAOYSA-N
rxn:4:203985:225810,COc1ccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c(C2OCCO2)c1,DCKHXUURLUUDFI-UHFFFAOYSA-N
rxn:4:203985:226185,O=C(c1ccccc1-c1ccc(C2CCOCC2)cc1)N1CCC(N2C(=O)COC2=O)CC1,RYMGQGNNTBTXOI-UHFFFAOYSA-N
rxn:4:203985:226769,COC(=O)c1cc(F)c(F)c(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,DONOIAQLUOYEPN-UHFFFAOYSA-N
rxn:4:203987:223662,O=C(OCc1ccccc1)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c([N+](=O)[O-])c1,AGJLDICICUVWKG-UHFFFAOYSA-N
rxn:4:204003:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3Cl)cc2)CC1,GPSLPDTXWBWFGS-HCGLCNNCSA-N
rxn:4:204014:225296,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1,XXGKYIGASPXLLN-UHFFFAOYSA-N
rxn:4:204046:225712,CCOC(=O)COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1,LFNHYRUJIVFQOZ-UHFFFAOYSA-N
rxn:4:204046:227505,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,BQKZVTSDPMXXHK-NTEUORMPSA-N
rxn:4:204046:228295,CCOC(=O)n1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,WYFFYHRTONFUGX-UHFFFAOYSA-N
rxn:4:204082:226115,CC(C)CC(=O)c1cccc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,UHBWSFTWZYLLHH-UHFFFAOYSA-N
rxn:4:204082:226532,CCOC(=O)c1cc(F)cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)c1,VBEYDQODRNUWFR-UHFFFAOYSA-N
rxn:4:204092:224566,COC(=O)C1(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)c(C)c3)cc2)CCCC1,ZIJMHBUOCZUYPG-UHFFFAOYSA-N
rxn:4:204094:224424,CCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,FSZWZAOGKJETLM-UHFFFAOYSA-N
rxn:4:204109:222418,NS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,LRFZNYUHVLCTGR-UHFFFAOYSA-N
rxn:4:204109:223699,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)CC1,GHBRTIVAKLNWPU-UHFFFAOYSA-N
rxn:4:204109:224997,O=C(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1)N1CCCCC1,HVFYEZYFBMMUHQ-UHFFFAOYSA-N
rxn:4:204109:225753,COC(=O)c1cnc(C2CC2)c(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,UFIZLPGUXAHAEL-UHFFFAOYSA-N
rxn:4:204109:227507,O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,MBQNGPKZEKLGDZ-UHFFFAOYSA-N
rxn:4:204116:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c2)CC1,QZQRFNDMNUXMGH-UHFFFAOYSA-N
rxn:4:204131:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cc2)CC1,RPYLKPFRVZBPFF-DUYHBEBVSA-N
rxn:4:204134:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,SJPZMOGWJBZFBD-UHFFFAOYSA-N
rxn:4:204142:224742,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(CN2CCOC(C)C2)c(N2CCOCC2)c1,RWPNSYPAVKTKJF-UHFFFAOYSA-N
rxn:4:204166:223134,CC1CCCCN1Cc1ccc(-c2cnccc2C2CCCNC2)cc1N1CCOCC1,IMWJTFNMZPSYJH-UHFFFAOYSA-N
rxn:4:204166:225880,CC1CCCCN1Cc1ccc(-c2cc(C3CCOCC3)ncc2F)cc1N1CCOCC1,RHEAQKJUAUSCJR-UHFFFAOYSA-N
rxn:4:204167:224770,Cc1cc(-c2ccc(CN3CCCC(C)C3)c(N3CCOCC3)c2)cc(S(=O)(=O)N2CCCC2)c1,KAIMSRPXNWDPBS-UHFFFAOYSA-N
rxn:4:204167:226124,COCc1ccc(C2CC2)cc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,KDTLTMWCEGCDEB-UHFFFAOYSA-N
rxn:4:204167:226150,CC1CCCN(Cc2ccc(-c3cccc(SC4CCCC4)c3)cc2N2CCOCC2)C1,ZTUKPCKQLLZTOD-UHFFFAOYSA-N
rxn:4:204168:223696,CC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cc2N2CCOCC2)CC1,XQVKLLKOGCRYRT-UHFFFAOYSA-N
rxn:4:204168:223992,Cc1ccc(-c2ccc(CN3CCC(C)CC3)c(N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,WHIHCVUFVCVPGU-UHFFFAOYSA-N
rxn:4:204180:223834,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)c(C)cc3C)CC2)c(C)c1,OHGWNRAQTOXGEA-UHFFFAOYSA-N
rxn:4:204183:224770,Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc(S(=O)(=O)N2CCCC2)c1,KLPBJRKSXPBTAN-UHFFFAOYSA-N
rxn:4:204452:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2c(ccn2C(=O)OC(C)(C)C)cn1,IKZRULNQHSAJDJ-UHFFFAOYSA-N
rxn:4:204473:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)c(Cl)cn4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,CJIFITYUOLKJDP-UHFFFAOYSA-N
rxn:4:204602:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1,GNRMPAJKNSAQHJ-UHFFFAOYSA-N
rxn:4:204606:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)cc1,PANFFAIHYKBDJC-UHFFFAOYSA-N
rxn:4:204680:223578,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)nc2CC1,RDDSNTJXDSUOJM-UHFFFAOYSA-N
rxn:4:204720:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)c(F)c2)CC1,OIQGMXLBCNQYGZ-UHFFFAOYSA-N
rxn:4:204805:226901,O=C(C1=CN(c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2)c2ccccc2S1(=O)=O)N1CCOCC1,YUFOFZIRRVNCRU-UHFFFAOYSA-N
rxn:4:204844:222630,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)c4ccccc34)CC2)cc1,ZGRAVYGLUFUUTA-UHFFFAOYSA-N
rxn:4:204871:222465,Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)C3C2=O)cc1,KXYVXLOKWXVWHQ-UHFFFAOYSA-N
rxn:4:204943:223526,COc1cccc(C2c3c(oc4ccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,BCDLGNJOVRHDNS-UHFFFAOYSA-N
rxn:4:205162:223539,CCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)[O-],GNUAOPRNDKURMA-UHFFFAOYSA-M
rxn:4:206449:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1F)N1CCOCC1,BYQDNJGNYNVLFU-UHFFFAOYSA-N
rxn:4:206502:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(F)c(CN4CCOCC4)c3)ccn2)CC1,LJSVFOKIHHKCEQ-UHFFFAOYSA-N
rxn:4:206512:222466,O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,MZZFJKDXAMBJPI-UHFFFAOYSA-N
rxn:4:206524:222537,O=S(=O)(c1cncc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1)N1CCOCC1,JNSYPCORFSJHLM-UHFFFAOYSA-N
rxn:4:206544:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)ccn2)CC1,IYIIVAAHLBLOCQ-UHFFFAOYSA-N
rxn:4:206544:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)cc2)CC1,ZKRJHYUNFRNNJK-UHFFFAOYSA-N
rxn:4:206567:223637,CCc1nc(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cn1C1CCCC1,FTQZXLOZDIWZNI-UHFFFAOYSA-N
rxn:4:206709:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)nc3)c2)CC1,WIDFEIOPCBLOKT-UHFFFAOYSA-N
rxn:4:206807:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C=C4SC(N5CCOCC5)=NC4=O)o3)cc2F)CC1,GPUUGJYWUFPCPM-UHFFFAOYSA-N
rxn:4:206976:223834,Cc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2F)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DBTMSVYVEFUVQL-UHFFFAOYSA-N
rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
rxn:4:207057:222719,Cc1ccc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,CEBOAHGRMHGLQA-UHFFFAOYSA-N
rxn:4:207057:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c2)CC1,LJBNHKRZTGZYCT-UHFFFAOYSA-N
rxn:4:207067:223696,CC(C)(C)c1cc(C2CCOCC2)nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,KGHKKRSJDRTWDC-UHFFFAOYSA-N
rxn:4:207279:222389,FC(F)(F)c1cc(Cl)c2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)nc(C(F)(F)F)n2c1,VTTYYWLOGLDCNU-UHFFFAOYSA-N
rxn:4:207410:223539,COC(=O)c1c(C)nc2snc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2c1C,OUMIJRIFJMYPJW-UHFFFAOYSA-N
rxn:4:207794:222770,CN1CCN(Cc2cc3c(c(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)c2)OCC3)CC1,PNARTDFMNTWXKN-UHFFFAOYSA-N
rxn:4:207946:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)CC1,KMUFSLZYMXJMKD-UHFFFAOYSA-N
rxn:4:207946:224952,COc1cc(-c2cccc(CCN3CCOCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,SQOQCFQYMVNHAV-UHFFFAOYSA-N
rxn:4:207946:224963,COc1cc(-c2cccc(COC3CCOCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,BLQPLVZFDSXXGW-UHFFFAOYSA-N
rxn:4:207946:225007,COc1cc(-c2cccc(CN3CCCCC3)c2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,MIUPMUREDQCXBA-UHFFFAOYSA-N
rxn:4:207946:225192,COc1cc(-c2cc(OC3CCCCC3)ncc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,RORFZKSYWBNDKY-UHFFFAOYSA-N
rxn:4:207946:225560,COc1cc(-c2cccc(COC3CCOC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,UWSAIYGYKJZCEC-UHFFFAOYSA-N
rxn:4:207946:226794,COc1cc(-c2cnc(N3CCSCC3)nc2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VJLLMLDUXNCTJZ-UHFFFAOYSA-N
rxn:4:207965:226417,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cc(N5CCCC5)c4)ccc2OC32CCC(C)CC2)cc1,VNGSYDWOCMEJTE-UHFFFAOYSA-N
rxn:4:207965:226923,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)c(C5CC5)cc4C)ccc2OC32CCC(C)CC2)cc1,QMSSVCTXQOZDHN-UHFFFAOYSA-N
rxn:4:209558:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(N4CCOCC4=O)c3)c2Cl)CC1,AUAIRVOZOUKPEL-UHFFFAOYSA-N
rxn:4:209798:223608,Cc1cc(C2CCOCC2)nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)n1,SHMOMFNYWLQKHR-UHFFFAOYSA-N
rxn:4:209808:223507,Cc1nc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1C1CCCCC1,LEOKZYUYDQSNFM-UHFFFAOYSA-N
rxn:4:210459:223501,Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c2ccnc(C#N)c2c1Cl,ZCGJCQZPBJFWBM-UHFFFAOYSA-N
rxn:4:211099:222776,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCC(O)CC5)cc4F)ccc2OC32CCCC2)cc1,IKFOTUZSYVJHHU-UHFFFAOYSA-N
rxn:4:212482:223529,CN1C(=O)COc2c1cnc1cc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc21,HGWLSFNCLZOJHX-UHFFFAOYSA-N
rxn:4:212511:224977,N#Cc1cc(-c2cnn(CC3CN(C(=O)CCC(F)(F)F)C3)c2)ccc1N1CCCCC1,YCXVUDCYWAHNQP-UHFFFAOYSA-N
rxn:4:212515:224976,C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1cccc(N2CCCCC2)c1C#N,HAGKHIJGYVWRFJ-UHFFFAOYSA-N
rxn:4:212547:223650,CCOCCN1CCC(Oc2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BXRGBHRANMWHGO-UHFFFAOYSA-N
rxn:4:212605:222813,Cn1cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)n1,CPZYGJOBAMIXFO-UHFFFAOYSA-N
rxn:4:212607:222724,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,QDTTUCMKHKNSLN-UHFFFAOYSA-N
rxn:4:212636:224276,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)cn2)CC1,VYTMXGJVQVXVLQ-UHFFFAOYSA-N
rxn:4:212650:226224,CCOCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)cc1,ZQZVPZPWGUYVHI-UHFFFAOYSA-N
rxn:4:212650:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1Cl,DKOIMTFJZONYAG-UHFFFAOYSA-N
rxn:4:212652:222809,COC(=O)c1cc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,UJGMTLRXFWWXKP-UHFFFAOYSA-N
rxn:4:212652:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C(=O)OC)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(Cl)c1,VBYKCXUHTZRBMS-UHFFFAOYSA-N
rxn:4:212653:223556,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)n1,BWGAVENEZZDVNI-UHFFFAOYSA-N
rxn:4:212655:223575,COC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,IYAVBLHZSSOFSF-UHFFFAOYSA-N
rxn:4:212656:225899,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(C)nn2C(=O)OC(C)(C)C)c1,XWABZDXBGMGYLN-UHFFFAOYSA-N
rxn:4:212675:223594,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],BRMGFLZYOQBXLY-UHFFFAOYSA-N
rxn:4:212691:222769,CN(C(=O)c1ccc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,CHIZAWKZXIBZQO-UHFFFAOYSA-N
rxn:4:212695:222522,COc1ccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc1S(=O)(=O)N1CCC(O)CC1,YDINEUKFKVQIKO-UHFFFAOYSA-N
rxn:4:212695:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1CCC(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,IVUPXHHYIVIPCV-UHFFFAOYSA-N
rxn:4:212704:223671,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,BAVHBTRSSRNLLZ-UHFFFAOYSA-N
rxn:4:212710:225977,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3)CC2)c1C,BQUKYPQOTFDWJE-UHFFFAOYSA-N
rxn:4:212710:225984,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3)CC2)c1C,NSVISAXCXJNEIK-UHFFFAOYSA-N
rxn:4:212743:223588,Cc1cc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VUILPGCWZQPELU-UHFFFAOYSA-N
rxn:4:212770:226716,CCOC(=O)c1nn2c(c1-c1ccn(C(=O)OC(C)(C)C)n1)CN(C(=O)OC(C)(C)C)CC2,XWMWOMWRJFPRMI-UHFFFAOYSA-N
rxn:4:212791:226792,CCOC(=O)c1nn2c(c1-c1cnc(N3CCOCC3)nc1)CN(C(=O)OC(C)(C)C)CCC2,LHSUGKFXGXMTFF-UHFFFAOYSA-N
rxn:4:212791:228362,CCOC(=O)c1nn2c(c1-c1cnc(Cl)nc1C1CC1)CN(C(=O)OC(C)(C)C)CCC2,TXHVWKYBQFOLBQ-UHFFFAOYSA-N
rxn:4:212816:222700,O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)CC1,ATXZWTWEFBPRGG-UHFFFAOYSA-N
rxn:4:212829:223652,COc1ccc(Cl)c2cc(-c3ccc4[nH]c(C(=O)N(C)C5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)n(C(=O)OC(C)(C)C)c12,SQRTUMJOCVFGEU-UHFFFAOYSA-N
rxn:4:212830:223525,CN(C(=O)c1cc2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,FRDLLMFPPWRYPQ-MUUNZHRXSA-N
rxn:4:212830:225218,CC1CCCN(c2ncc(-c3ccc4[nH]c(C(=O)N(C)[C@@H]5CCCN(C(=O)OC(C)(C)C)C5)cc4c3)cc2Cl)C1,MQDBVVAWGGWHGC-PIFIWZBESA-N
rxn:4:212892:222546,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1)C1CC1,MGVWAAUPCXABBA-UHFFFAOYSA-N
rxn:4:212906:222582,CC(C)(C)OC(=O)N1CC(Oc2cncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)n2)C1,NZHBSQNLSJPCCU-UHFFFAOYSA-N
rxn:4:212917:225832,COC(=O)CN1CCC(Cn2cc(-c3c(C)nn(C4CCCCO4)c3C)cn2)CC1,FGMBRDMNXYJOMD-UHFFFAOYSA-N
rxn:4:212923:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cc2C1,RCXIXXOCAMLZJX-UHFFFAOYSA-N
rxn:4:212938:224325,CCC(=O)N1CCCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,NBRCMVDWGIABQG-UHFFFAOYSA-N
rxn:4:212944:223880,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc3cc(C)ccc3n2C(=O)OC(C)(C)C)CC1,ZQPUUBDBYNBPRE-UHFFFAOYSA-N
rxn:4:212964:223683,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cn2)C1,QMIKJIMYGGDCAQ-UHFFFAOYSA-N
rxn:4:212966:222929,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)cn2)C1,SEIQODVBRZHRSL-UHFFFAOYSA-N
rxn:4:212967:222634,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,CYNDNGOPMASTLX-UHFFFAOYSA-N
rxn:4:212970:223506,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RTBIEAYVHJCPAJ-UHFFFAOYSA-N
rxn:4:212989:226652,Cc1cc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)n(C2CCCCO2)n1,WGLDYJANZZRNRI-UHFFFAOYSA-N
rxn:4:212991:223049,O=C(NC1CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1,MGSMTJTYNHNFLB-UHFFFAOYSA-N
rxn:4:213031:224254,COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)cn2)C1,GNGFTLUFHJNCHZ-UHFFFAOYSA-N
rxn:4:213039:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1Cl,GNLXSBOURDLQQA-UHFFFAOYSA-N
rxn:4:213039:223593,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)n2)CC1,SUEYKPRITNTBHO-UHFFFAOYSA-N
rxn:4:213039:223790,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)n2)CC1,JSQKZWZNFVIKDG-UHFFFAOYSA-N
rxn:4:213040:224278,Cc1nc(-c2cnc3c(ccn3C(=O)OC(C)(C)C)c2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,VPJYCUQJZCHZMD-UHFFFAOYSA-N
rxn:4:213040:226714,Cc1nc(-c2ccnn2C(=O)OC(C)(C)C)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,CEXXTXRKUBVXHM-UHFFFAOYSA-N
rxn:4:213041:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,GNWAYNDCZQSVBL-UHFFFAOYSA-N
rxn:4:213046:223490,Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2C)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MUTSLHSWOIPEHQ-UHFFFAOYSA-N
rxn:4:213070:223636,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,RXQUZIOTQIKFEP-UHFFFAOYSA-N
rxn:4:213070:226539,CCOC(=O)c1ccc(Cl)cc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,QAAODHMOKPHDFO-UHFFFAOYSA-N
rxn:4:213078:224162,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c2C(F)F)CC1,VELHKGXZGVTETR-UHFFFAOYSA-N
rxn:4:213078:226765,COC(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c(F)c1F,QVMWHBBNFRFBOY-UHFFFAOYSA-N
rxn:4:213080:222812,CC(C)(C)OC(=O)Nc1cc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1Cl,XGTLVTDJFJANGV-UHFFFAOYSA-N
rxn:4:213088:223166,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCNCC4)nc3)c2C#N)CC1,BWMONPNJIINCHS-UHFFFAOYSA-N
rxn:4:213088:223904,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2C#N)CC1,MHFMOCUOIVQFGZ-UHFFFAOYSA-N
rxn:4:213092:223904,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cccc(C4CN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,HUKMKBGDTIPMIP-UHFFFAOYSA-N
rxn:4:213094:222998,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cc(F)cc(C3CCCNC3)c2)CC1,SHUMJNVIRBKQAM-UHFFFAOYSA-N
rxn:4:213094:223121,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccc(C(=O)NC3CC3)cc2)CC1,LONXLFZDUJUSGC-UHFFFAOYSA-N
rxn:4:213094:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cccc(C#N)c1N1CCN(C(=O)OC(C)(C)C)CC1,AIFGSZWIOQNPEY-UHFFFAOYSA-N
rxn:4:213094:225557,COC(=O)C1(c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,SGMNZNZJXXXZRF-UHFFFAOYSA-N
rxn:4:213095:223505,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,VZJDBNVMUAUHIV-UHFFFAOYSA-N
rxn:4:213095:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WZWYLUILOVUZBH-UHFFFAOYSA-N
rxn:4:213096:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,ZNMSEAFWURTXHW-UHFFFAOYSA-N
rxn:4:213126:225218,CC1CCCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2Cl)C1,PHHVZMAMNWMNQN-UHFFFAOYSA-N
rxn:4:213128:224624,COc1nc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)cn1C1CCCN(C(=O)OC(C)(C)C)C1,LHADUYYIISLPAE-UHFFFAOYSA-N
rxn:4:213129:226792,COc1nc(-c2cnc(N3CCOCC3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,HCJBYTXWASKECP-UHFFFAOYSA-N
rxn:4:213129:228349,COc1nc(-c2cnn(C3CCOC3)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,XINKJXMAAXUOCH-UHFFFAOYSA-N
rxn:4:213132:225975,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,PQJORWNISCYJAZ-UHFFFAOYSA-N
rxn:4:213132:225977,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,LWJBLJAXCYLDEA-UHFFFAOYSA-N
rxn:4:213135:225877,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,ONQGEDAXXZMRDN-UHFFFAOYSA-N
rxn:4:213139:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1,ADVLDZGHKQNTSS-UHFFFAOYSA-N
rxn:4:213141:225227,CC1CCN(c2ncc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[N+](=O)[O-])cc2Cl)CC1,ZYPULLGZZMQQHG-UHFFFAOYSA-N
rxn:4:213143:223387,CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)[nH]n1,JTXCTTGRXJKTDX-UHFFFAOYSA-N
rxn:4:213147:223655,Cc1ccc(S(=O)(=O)n2cc(-c3cncc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c3cccnc32)cc1,ILDLREWSWFARSN-UHFFFAOYSA-N
rxn:4:213147:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,XETDPIYPCBVRQN-UHFFFAOYSA-N
rxn:4:213147:223997,Cc1cc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,TXHLBYGHDSUHOG-UHFFFAOYSA-N
rxn:4:213147:225534,CCN(CC)Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,DRQDVFJPAJZWGA-UHFFFAOYSA-N
rxn:4:213147:226447,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccnc(C4CCOCC4)c3)c2)CC1,XDMBIETVKVQNER-UHFFFAOYSA-N
rxn:4:213150:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)s2)CC1,MVJDGUOINVTMFP-UHFFFAOYSA-N
rxn:4:213174:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)c(F)c2)CC1,RAVKFZGAOFLSHX-FBSWEULCSA-N
rxn:4:213178:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)c2)CC1,GWOBAZOJRBRGAZ-UHFFFAOYSA-N
rxn:4:213200:225898,COc1ccc(-c2cnn(CCN3CCOCC3)c2)c(C(=O)N2CCC(Oc3cc(C)nc(C)n3)C2)c1,AQIVDLJKZVXEKF-UHFFFAOYSA-N
rxn:4:213202:222719,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)CC2)nn1,XLQZCSIFDCESEQ-UHFFFAOYSA-N
rxn:4:213217:223536,CCN1CCN(c2ncc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,JGRIFDROKJJWDD-UHFFFAOYSA-N
rxn:4:213217:223776,CCN1CCN(c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cc2C(=O)OC(C)(C)C)CC1,JPBNLOJDQJEJGO-UHFFFAOYSA-N
rxn:4:213217:225312,CCN1CCN(c2ncc(-c3cnc(N4CCCN(C)CC4)nc3)cc2C(=O)OC(C)(C)C)CC1,NIGPLDKBQFYQKR-UHFFFAOYSA-N
rxn:4:213223:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,WPAXLCZOZYTGJP-UHFFFAOYSA-N
rxn:4:213223:223529,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,GVXNRYGQDINQGI-UHFFFAOYSA-N
rxn:4:213223:223649,COc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,GWKPMXVRGZSTMW-UHFFFAOYSA-N
rxn:4:213243:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,KESXDFWJSGXMNK-UHFFFAOYSA-N
rxn:4:213243:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,CQBKVXNLKOYUIC-FBSWEULCSA-N
rxn:4:213257:223602,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,HXNIKVZTTGYSLQ-UHFFFAOYSA-N
rxn:4:213264:223812,O=C(Cc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VBFQSJPAQIWXLZ-UHFFFAOYSA-N
rxn:4:213271:229332,COc1ccc(-c2ccoc2)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,XGDNLMNEVHPNDD-UHFFFAOYSA-N
rxn:4:213354:222948,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn1)C2,WORMDPPXBJJHTE-UHFFFAOYSA-N
rxn:4:213388:225829,CC1CCN(c2ncc(-c3ccnc4c3ccn4CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,QYHCHORPQVKNHT-UHFFFAOYSA-N
rxn:4:213459:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,ZBTGBQXAOLUTMY-WWPJHQMMSA-N
rxn:4:213476:226756,COc1cc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)ccc1C(F)(F)F,QXKOZANCSVQSAD-IOOMFELFSA-N
rxn:4:213476:228831,Cc1c(F)ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c1Cl,XAXFEACAVVBDBG-JJJRJVJOSA-N
rxn:4:213498:223602,COCn1nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1C(=O)OC,JMSBXIZYZJSAHY-UHFFFAOYSA-N
rxn:4:213657:224585,CC1CCN(C(=O)c2ccc(-c3cnn([C@H]4CON(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,GEXQIKBHWMSKQS-OAQYLSRUSA-N
rxn:4:213693:225313,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(N3CCN(C)CC3)nc2F)cn1,AWOMOSGRPRRPQF-UHFFFAOYSA-N
rxn:4:213714:224326,Cc1cc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)ccc1S(=O)(=O)N1CCCCC1,LAXCUHSSDHGCKF-FQEVSTJZSA-N
rxn:4:213737:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)cc2C)CC1,FFWXKFMACNLGHB-UHFFFAOYSA-N
rxn:4:213755:224274,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cs2)CC1,AVJLCSVBAYRXML-UHFFFAOYSA-N
rxn:4:213765:223945,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)C1,RKWIVKAIKCPMOZ-UHFFFAOYSA-N
rxn:4:213767:223593,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)o2)CC1,BVFAQVVIFQWVCD-UHFFFAOYSA-N
rxn:4:213793:223650,Cc1c(S(=O)(=O)c2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nnn1-c1cc(C(F)(F)F)ccc1Cl,LELRQCHCLWZVRS-UHFFFAOYSA-N
rxn:4:213798:222546,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GXODBAAXBAQLOR-UHFFFAOYSA-N
rxn:4:213798:223945,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,LAQLJRJCNGVETH-UHFFFAOYSA-N
rxn:4:213798:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2)CC1,KCMQYWCRAXFUKN-UHFFFAOYSA-N
rxn:4:213798:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)cn1,FFIKBZFFRHGFKH-UHFFFAOYSA-N
rxn:4:213798:225875,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,XGTSIINQJPDVHL-UHFFFAOYSA-N
rxn:4:213799:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ncn1,IPPDKFVCBZYJNA-UHFFFAOYSA-N
rxn:4:213801:225977,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(Cl)cnc3N3CCOCC3)n2)C1,UERAJMKPWNJDNC-UHFFFAOYSA-N
rxn:4:213801:225984,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)C1,PKBUNRUSGDCIGE-UHFFFAOYSA-N
rxn:4:213828:225986,O=S1(=O)CCCN1c1ccccc1-c1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1,OWHLLBDOASDYLQ-UHFFFAOYSA-N
rxn:4:213835:223526,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,ICVNZIAIYWKHHB-UHFFFAOYSA-N
rxn:4:213835:223648,CC(C)(C)OC(=O)N1CCC(n2nccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,CUHDVSBDFDJVTE-UHFFFAOYSA-N
rxn:4:213836:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)CC1,DPPVEWPNSMCDLJ-UHFFFAOYSA-N
rxn:4:213836:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cn2)CC1,BJWJNHXZPCZPQR-UHFFFAOYSA-N
rxn:4:213840:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nccn3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,FVNAUSWMANEZQJ-UHFFFAOYSA-N
rxn:4:213871:224128,CN(C(=O)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc1)C1CCCCC1,ICXHTDZQVNSWKM-UHFFFAOYSA-N
rxn:4:213874:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,XDAFOAILCVNWQN-UHFFFAOYSA-N
rxn:4:213875:223638,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)n2)CC1,FVFISNOIYVEIJW-UHFFFAOYSA-N
rxn:4:213876:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,FXTWFILVBXRJPL-UHFFFAOYSA-N
rxn:4:213881:223592,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cn2)CC1,HXQAXAWPOXNNQO-UHFFFAOYSA-N
rxn:4:213883:225852,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(C2CCCCC2)nc1Cl,TWTUVUIOGRXSOK-UHFFFAOYSA-N
rxn:4:213883:226679,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(N2CCCC2)cc1F,JVEPVKWAUSNHLK-UHFFFAOYSA-N
rxn:4:213885:224371,COC(=O)C1CCN(c2ncc(-c3nccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1,OOPRANSGEIIEOH-UHFFFAOYSA-N
rxn:4:213887:225947,CN1CCN(c2ncc(-c3ncc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cn2)CC1,NZXLVLKZQAFFBY-UHFFFAOYSA-N
rxn:4:213891:223940,CC(C)(C)OC(=O)N1CCCC(c2cnc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)cn2)C1,PLYFMQQJUJUAEW-UHFFFAOYSA-N
rxn:4:213891:224271,CC(C)(C)OC(=O)N1CCCC(c2cnc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cn2)C1,IENCAPMTWAMHRD-UHFFFAOYSA-N
rxn:4:213892:225980,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)ncc2F)CC1,VVQPDARWLJFRME-UHFFFAOYSA-N
rxn:4:213895:223975,CC(C)(C)OC(=O)N1CCCCC1c1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)nc23)cn1,NAHGZMRWNRZQDW-UHFFFAOYSA-N
rxn:4:213897:223059,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCNCC3)cc2Cl)CC1,VYNOFIKFYDDQLB-UHFFFAOYSA-N
rxn:4:213898:225898,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,STYNIQNVMNGAAW-UHFFFAOYSA-N
rxn:4:213901:222478,Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,OOBLKARRDMQDHC-UHFFFAOYSA-N
rxn:4:213901:223884,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1,KPEMUTYTYRDZSN-UHFFFAOYSA-N
rxn:4:213901:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,OPXLZDDYSXHZIX-UHFFFAOYSA-N
rxn:4:213902:223761,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cc2F)CC1,IMXOCRAXNNKARB-UHFFFAOYSA-N
rxn:4:213905:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)cc2)CC1,ITEVABHIGHPPSK-UHFFFAOYSA-N
rxn:4:213940:223933,Cn1ncc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)c1C1CCCN(C(=O)OC(C)(C)C)C1,QIAAKSVSEXYLHW-UHFFFAOYSA-N
rxn:4:213942:223588,Cc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NTQHIHVCGUWAKD-UHFFFAOYSA-N
rxn:4:213969:225987,O=C(c1ccc(-c2ccc(N3CCCS3(=O)=O)cc2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,DPCPMRDVHHELPZ-UHFFFAOYSA-N
rxn:4:213973:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)ccn2)CC1,XWDYDSMNTJBIHP-UHFFFAOYSA-N
rxn:4:213975:223818,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)nc2)CC1,AMQPKCSDYNUXEA-UHFFFAOYSA-N
rxn:4:213975:225437,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(CN4CCCCC4)c3)nc2)CC1,APINZEROELRREP-UHFFFAOYSA-N
rxn:4:213976:224161,CC1CN(c2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)n2)CCN1C(=O)OC(C)(C)C,RGGRZCJEBUOQSB-UHFFFAOYSA-N
rxn:4:213976:226539,CCOC(=O)c1ccc(Cl)cc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)n1,JTARLESPFOUUJB-UHFFFAOYSA-N
rxn:4:213979:223660,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)nn1,IUCSBNDDEVMZKT-UHFFFAOYSA-N
rxn:4:213979:223931,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc3ccc(Cl)cc3n2C(=O)OC(C)(C)C)nn1,IPLUVAMTDSYDQB-UHFFFAOYSA-N
rxn:4:213979:224974,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccccc2CN2CCN(C)CC2)nn1,NOIHPYJIONWTRY-UHFFFAOYSA-N
rxn:4:213987:224277,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccnc2c1ccn2C(=O)OC(C)(C)C,SLGRAAZJZHDVQK-UHFFFAOYSA-N
rxn:4:213988:224767,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)CC1,KJCMVWMBEXXXGD-UHFFFAOYSA-N
rxn:4:213990:223777,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,CZKWRDAUDVVGRD-UHFFFAOYSA-N
rxn:4:214000:222948,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1F,IHVCYMWBURBRBL-UHFFFAOYSA-N
rxn:4:214005:226487,COC(=O)COc1cccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)c1,VATAAZVBLNXTMY-UHFFFAOYSA-N
rxn:4:214005:228385,Cc1cc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)ccc1[N+](=O)[O-],SLJZONUAXNLBBH-UHFFFAOYSA-N
rxn:4:214017:223490,Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)CC2)n1,HYPCURHUOGTLRC-UHFFFAOYSA-N
rxn:4:214042:227404,O=C(c1ccc(-c2cc(N3CCCCC3)cs2)o1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,PPAHWGSPPMGLQG-UHFFFAOYSA-N
rxn:4:214050:228935,CC(=O)c1cc(Cl)sc1-c1cnc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(F)c1,QIKGMGSTAISCGI-OLZOCXBDSA-N
rxn:4:214051:228920,CSc1nccc(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)c1F,SCHSTKDFUCJMJX-UHFFFAOYSA-N
rxn:4:214054:225296,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C(=O)N1C1CC1,UYISGKLISLYWTL-UHFFFAOYSA-N
rxn:4:214054:227710,CS(=O)(=O)Oc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc1,TUHIQCBDULLPSK-UHFFFAOYSA-N
rxn:4:214054:228974,CS(=O)(=O)n1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cn1,OCUOEJSNZPJARR-UHFFFAOYSA-N
rxn:4:214064:222947,CS(=O)(=O)N1CCN(Cc2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2N2CCOCC2)CC1,KVVCACKCPXQJPE-UHFFFAOYSA-N
rxn:4:214065:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)n4nc(C)c(S(=O)(=O)N5CCC(C)CC5)c4C)cc3)c2)CC1,UIBCECJARNVDSV-UHFFFAOYSA-N
rxn:4:214065:223999,Cc1nn(C(=O)c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,VGAIUIBPQKVEGQ-UHFFFAOYSA-N
rxn:4:214065:224101,Cc1nn(C(=O)c2ccc(-c3cccc(OCCN4CCC(C)CC4)c3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,IQIJVWBNBLONIU-UHFFFAOYSA-N
rxn:4:214065:225451,Cc1nn(C(=O)c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,UCLSYGGCOYIIRF-UHFFFAOYSA-N
rxn:4:214082:223826,CC(C)N1CCN(Cc2ccc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)cc2N2CCOCC2)CC1,UOSVWYDTJNIWSM-UHFFFAOYSA-N
rxn:4:214109:223814,CCOC(=O)c1cnc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)c(C)nn2c1C(F)(F)F,QTCKCEMPIKCHCJ-UHFFFAOYSA-N
rxn:4:214115:224775,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c2c1N=S=N2,CMFIJSWYVJEAKV-UHFFFAOYSA-N
rxn:4:214146:225461,Cc1cc(N2CCCCC2)ccc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,AQSAAYWVCZDODW-UHFFFAOYSA-N
rxn:4:214146:225984,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2cnc(Cl)c(N3CCOCC3)c2)C1,LAPPLQBOQXCNLQ-UHFFFAOYSA-N
rxn:4:214147:227796,CC(C)(C)OC(=O)N1CCn2c(-c3cc(C(F)(F)F)ncc3Cl)nc(C(F)(F)F)c2C1,MLRFEJIVOGVSNP-UHFFFAOYSA-N
rxn:4:214153:225986,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3ccccc3N3CCCS3(=O)=O)cnn2C1,KIDIZNSTNZBEAE-OAHLLOKOSA-N
rxn:4:214180:222584,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,SJCRNKZAYYJUDC-UHFFFAOYSA-N
rxn:4:214185:223389,Cc1n[nH]c(C(F)(F)F)c1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,ASZALPVIMFOYQH-UHFFFAOYSA-N
rxn:4:214185:225461,Cc1cc(N2CCCCC2)ccc1-c1c(C(F)(F)F)nn2c1CN(C(=O)OC(C)(C)C)CCC2,SVYALOVVWXDJAJ-UHFFFAOYSA-N
rxn:4:214185:227625,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cnc(C4CCCO4)nc3)c2C1,AZEQWWHRLSZCSC-UHFFFAOYSA-N
rxn:4:214185:228066,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccc4c(c3)OCCO4)c2C1,GKLZMKVUNYLWCS-UHFFFAOYSA-N
rxn:4:214185:228459,COc1ncc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c(SC)n1,MDZOINRLLBJCOU-UHFFFAOYSA-N
rxn:4:214201:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CC3CC(C2)N3C(=O)OC(C)(C)C)nc1,IBGVOSHSAKSJCE-UHFFFAOYSA-N
rxn:4:214229:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)c2)CC1,OXBHXYHDVHGLJT-UHFFFAOYSA-N
rxn:4:214229:224356,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cn1)C2,QNJVBVWDFRKMRZ-UHFFFAOYSA-N
rxn:4:214234:225233,CC1CCCN(c2cc(-c3cnc4[nH]cc(C5=CCN(C(=O)OC(C)(C)C)CC5)c4c3)cnc2Cl)C1,FZHOTAOUINTCFH-UHFFFAOYSA-N
rxn:4:214255:223889,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c2c(Cl)ncnc21,JJJMTLZDVMSLBP-UHFFFAOYSA-N
rxn:4:214256:227385,Cc1nc(C(C)(C)C)ncc1-c1nn(C2CCOC2)c2c1CN(C(=O)OC(C)(C)C)CC2,UXEWACXRGIPMFV-UHFFFAOYSA-N
rxn:4:214274:222929,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cccc32)CC1,HQGDWDNIFCUBBB-UHFFFAOYSA-N
rxn:4:214274:224269,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cn(C(=O)OC(C)(C)C)c5cnccc45)cccc32)CC1,HBMVJTNRWLKLCX-UHFFFAOYSA-N
rxn:4:214275:223649,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,XNOOSCZWYHMXDO-UHFFFAOYSA-N
rxn:4:214276:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1,DBHKGBNMEDGUAV-UHFFFAOYSA-N
rxn:4:214304:228639,Cc1ccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c(C)c1F,LHZHHQNHMATUHI-UHFFFAOYSA-N
rxn:4:214304:228915,COc1cnc(F)c(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1,NDSIXEUWKCKHOL-UHFFFAOYSA-N
rxn:4:214320:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc2ncn(C3CCCN(C(=O)OC(C)(C)C)CC3)c2c1,XPJLNIVZXAOKHI-UHFFFAOYSA-N
rxn:4:214328:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)cc3)ccc2Cl)CC1,LOLJBSHXBRUNMU-UHFFFAOYSA-N
rxn:4:214335:227611,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccnn2C2CCCCO2)CC1,PQVQICBKNGAQEZ-UHFFFAOYSA-N
rxn:4:214337:223186,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3cnn(C4CCCCO4)c3)c2)CC1,LIOHJJXTPPZQMJ-UHFFFAOYSA-N
rxn:4:214409:223699,COC(=O)c1n[nH]c([N+](=O)[O-])c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,LUTMOZCTNQKZHI-UHFFFAOYSA-N
rxn:4:214568:223481,Cc1nc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)nn1CCc1ccccc1,MQLCDVMOOFFJFA-UHFFFAOYSA-N
rxn:4:214584:222604,COc1ccc(-c2cc(C)c(N=CN(C)C)c([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CCCC1,ZMQCYLURABUIOY-UHFFFAOYSA-N
rxn:4:214584:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(C)c(N=CN(C)C)c([N+](=O)[O-])c1,XYHPXYJTAMMDPY-UHFFFAOYSA-N
rxn:4:214628:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c2)CC1,PLSZRFJOANWWDD-UHFFFAOYSA-N
rxn:4:214661:223945,Cn1ncc(C(=O)N2CCCC(C(F)(F)F)C2)c1-c1ccc(OCCCN2CCOCC2)c(F)c1,ISIFSPIRXZYRFV-UHFFFAOYSA-N
rxn:4:214665:223671,COc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CTOSSXKANGEQLE-UHFFFAOYSA-N
rxn:4:214765:225061,CC1CCN(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])c(F)c2)CC1,RWJTUHKLPSQUDP-UHFFFAOYSA-N
rxn:4:214766:222846,CN(C)C1CCN(c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2[N+](=O)[O-])CC1,UQXMOMUBIRTHJH-UHFFFAOYSA-N
rxn:4:214818:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)CC1,HOMHZFXTEFBGEY-UHFFFAOYSA-N
rxn:4:214818:225520,CCCCOC(=O)c1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,JUYBHQVXBNTCRY-UHFFFAOYSA-N
rxn:4:214819:222916,O=C(NC1=NCCS1)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,LQJZSXSLBNPPRS-UHFFFAOYSA-N
rxn:4:214819:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,NPJPHUDBYHPJKH-UHFFFAOYSA-N
rxn:4:214820:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YDVXYGOGWGEKHA-UHFFFAOYSA-N
rxn:4:214835:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CPHBOHMXUMYJPJ-UHFFFAOYSA-N
rxn:4:214837:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c2Cl)CC1,RTOXNLUKBREMTA-UHFFFAOYSA-N
rxn:4:214862:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)CC1,JDHFLOPPWDFVKF-UHFFFAOYSA-N
rxn:4:214871:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,SZLOTFQYVSOINO-UHFFFAOYSA-N
rxn:4:214871:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(Cl)c3)c2)CC1,IDFAWUZKIJAZBV-UHFFFAOYSA-N
rxn:4:214872:227544,COC(=O)c1ccc(F)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DHYFLYOXEKYAOX-UHFFFAOYSA-N
rxn:4:214874:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1,LPDYTFCVFQIUPT-UHFFFAOYSA-N
rxn:4:214881:226685,O=C(C1CCN(c2ncccc2-c2cnc(C3CCOCC3)nc2)CC1)N1CCC(F)(F)CC1,LRNCHEZDYHRTEV-UHFFFAOYSA-N
rxn:4:214881:228975,O=C(C1CCN(c2ncccc2-c2cnn(C(F)(F)F)c2)CC1)N1CCC(F)(F)CC1,JFZXRHNGEFRNGH-UHFFFAOYSA-N
rxn:4:214900:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)cc2)CC1,PKKDCSHWSCYXSS-OGESRWMOSA-N
rxn:4:215019:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccnc3cnn(C(=O)OC(C)(C)C)c23)CC1,LQTKWFCPDYAYSZ-UHFFFAOYSA-N
rxn:4:215032:223493,COc1ccc(-n2c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c(C#N)c3cccnc32)cc1,IHHHEPMKONASAV-UHFFFAOYSA-N
rxn:4:215065:224820,CC(C)(C)OC(=O)N1CCn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1,JHUSEKWUOKAMRB-UHFFFAOYSA-N
rxn:4:215106:222929,Cc1nn2c(c1-c1cnc(Cl)c(N3CCC(O)CC3)c1)CN(C(=O)OC(C)(C)C)CC2,GPNAMICKLDPXRX-UHFFFAOYSA-N
rxn:4:215110:224830,Cc1nc(-c2cc(C(F)(F)F)nn2C2CCCCO2)c2n1CCN(C(=O)OC(C)(C)C)C2,ZDJCLIPRTDVWBC-UHFFFAOYSA-N
rxn:4:215148:223107,COc1ncc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1NS(C)(=O)=O,SWIQQNGSQOVJDL-UHFFFAOYSA-N
rxn:4:215303:227695,CCCN1CCC2(CC1)Oc1ccc(-c3cc(OC)cc([N+](=O)[O-])c3)cc1C1CC(c3ccc4ccccc4c3)=NN12,OHVLXTYJYCDVJC-UHFFFAOYSA-N
rxn:4:215772:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cc2Cl)CC1,PIFBEVGDSRBNLR-UHFFFAOYSA-N
rxn:4:215804:224691,O=C(c1ccc(-c2cncc([N+](=O)[O-])c2N2CCC(F)(F)CC2)cc1)N1CC2(COC2)C1,MSBVEQAUCWFGID-UHFFFAOYSA-N
rxn:4:215817:223606,Cn1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c1C(=O)N1CCCCC1,WHYMFNJUFHMCAC-UHFFFAOYSA-N
rxn:4:215818:223929,CC(=O)N1CCC(n2cc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,XDHJDHSDSDMJGW-UHFFFAOYSA-N
rxn:4:215912:222730,CCCc1cc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cc(C2CCNCC2)n1,YEPACPYGMUVIDU-UHFFFAOYSA-N
rxn:4:215925:223696,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n1,CHQILRFWTPBPBJ-UHFFFAOYSA-N
rxn:4:215927:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1nc(C2CC2)cc(N2CCCCC2)n1,ATTDJTGQMNRFJH-UHFFFAOYSA-N
rxn:4:215935:224404,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,NKISMJHCZCWZLO-UHFFFAOYSA-N
rxn:4:215968:224835,CC1CCCCN1c1cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)nc(C2CC2)n1,JPWSONSGDBZCFL-UHFFFAOYSA-N
rxn:4:215970:225347,CSc1ncc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)c(N2CCC3(CC2)OCCO3)n1,ZABYOTYRTCGHQV-UHFFFAOYSA-N
rxn:4:216356:222583,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)ccc2OC32CCN(C)CC2)cc1,VPRHHVOMZMQDOA-UHFFFAOYSA-N
rxn:4:216356:222748,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C(=O)NCC5CCCO5)c4)ccc2OC32CCN(C)CC2)cc1,KVPWAJAZZVKPMJ-UHFFFAOYSA-N
rxn:4:216356:222888,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCNCC5)c(Cl)c4)ccc2OC32CCN(C)CC2)cc1,ASUDLVBPPBECJA-UHFFFAOYSA-N
rxn:4:216356:224751,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)ccc2OC32CCN(C)CC2)cc1,XXWANRSFBCFVNB-UHFFFAOYSA-N
rxn:4:216356:225345,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N(C)C)ccc4OC)ccc2OC32CCN(C)CC2)cc1,MFEBGQOHXNPYJM-UHFFFAOYSA-N
rxn:4:216356:227246,CCCOc1cccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C)CC2)O3)c1F,CIDJCTBWVNUVML-UHFFFAOYSA-N
rxn:4:216435:223482,CS(=O)(=O)c1n[nH]c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,NIRUOFXFVBPTPJ-UHFFFAOYSA-N
rxn:4:216913:223507,Cc1nnc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1C1CCC1,OTNXQARAHBWQQM-UHFFFAOYSA-N
rxn:4:217076:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCOCC2)nn1,JYACPFKWXOZSKX-UHFFFAOYSA-N
rxn:4:217123:223481,CN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)o2)CC1,CSIPQTROIPRYOW-UHFFFAOYSA-N
rxn:4:217154:223671,Cc1nnc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C1CCCCC1,AQNFSONFJXTVOI-UHFFFAOYSA-N
rxn:4:217174:223823,CC1CCCCN1c1cnc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,ALTCYTSENZXAGP-UHFFFAOYSA-N
rxn:4:217860:223669,CC(C)N1CCc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nn2CC1=O,VOQTXHOIPSEHBF-UHFFFAOYSA-N
rxn:4:217890:223671,Cc1cc(C2CCCCC2)n2nc(C)c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2n1,BWLKEKGLHAWJBJ-UHFFFAOYSA-N
rxn:4:217905:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)cc1,ZHQCPTYHLWINCR-UHFFFAOYSA-N
rxn:4:217906:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,RXCQYJVSVXAARL-UHFFFAOYSA-N
rxn:4:218186:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc2n(n1)CCC2,GHECTNBCPUXUEG-UHFFFAOYSA-N
rxn:4:218454:223542,CN1CCN(S(=O)(=O)c2cc(-c3nnc4n3CCOCC4)ccc2OC(F)(F)F)CC1,IFOBSXASFAAGPA-UHFFFAOYSA-N
rxn:4:218578:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnn(C2(CC#N)CCN(C(=O)OC(C)(C)C)CC2)c1,RJCXSVDOYDKRNV-UHFFFAOYSA-N
rxn:4:218600:223880,Cc1ccc2c(c1)cc(-c1cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c1)n2C(=O)OC(C)(C)C,QEGGXSYUJYBIDR-UHFFFAOYSA-N
rxn:4:218640:224759,CC(C)c1ocnc1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,YZUDQQDTKUWLHY-UHFFFAOYSA-N
rxn:4:218642:222812,CC(C)(C)OC(=O)Nc1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)c2)cnc1Cl,MOIMYIUTZFTHIW-UHFFFAOYSA-N
rxn:4:218652:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,NOYYPJXDHKZNSR-UHFFFAOYSA-N
rxn:4:218652:227549,COC(=O)c1cc(Cl)ccc1-c1cnc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cn1,DDAHOXCXMQLEDB-UHFFFAOYSA-N
rxn:4:218664:225875,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)cc1,QQLBUFOFYMGZSS-UHFFFAOYSA-N
rxn:4:218665:225984,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)c1,VABQIXRXUUBWJI-UHFFFAOYSA-N
rxn:4:218675:226545,CCCOc1c(Cl)ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)c1F,YROSXODBCNFQPC-UHFFFAOYSA-N
rxn:4:218681:228458,CSc1ncc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)c(SC)n1,TUDQYBQRMOCPGQ-UHFFFAOYSA-N
rxn:4:218684:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(-c4ccc(C#N)c(N5CCN(C(=O)OC(C)(C)C)CC5)n4)c3)c2)CC1,BKMJNICTPVUEJA-UHFFFAOYSA-N
rxn:4:218755:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,QJHWQLIYXDWRLO-UHFFFAOYSA-N
rxn:4:218775:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCCCC5)CC4)c3)cc2)CC1,AVUSDPXYNIFBOL-UEOVJWFCSA-N
rxn:4:218778:223590,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)cc(Cl)cc32)cc(C)c1F,ITEHPCUZEPKPED-UHFFFAOYSA-N
rxn:4:218778:228721,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccnn4C(C)(C)C)cc(Cl)cc32)cc(C)c1F,UTXASNCBWNRKPH-UHFFFAOYSA-N
rxn:4:218815:225992,CC(C)Cn1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)c(C(F)(F)F)n1,BFXKNMCTDWTVJW-UHFFFAOYSA-N
rxn:4:218854:224718,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OCCN5CCOCC5)nc4)ccc3Cl)C2)nn1,FCQYSIXCQMZUIQ-UHFFFAOYSA-N
rxn:4:218886:223945,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,DYZHQBJMZRSGEA-UHFFFAOYSA-N
rxn:4:218894:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,IMCWWCWRCAXJRH-UHFFFAOYSA-N
rxn:4:218897:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)cc2)CC1,GTKZFLUVJHRMJN-PECFQXNXSA-N
rxn:4:218974:224817,Cc1cc(OCC2CCN(c3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3C#N)CC2)ccn1,XRUFXRKZDCDFRM-UHFFFAOYSA-N
rxn:4:218993:224759,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)s1,QXQPPKVHMFEPIA-UHFFFAOYSA-N
rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
rxn:4:219046:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c2)CC1,WCDPZSQBAPHFRQ-UHFFFAOYSA-N
rxn:4:219051:223649,CN(c1cnc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,UHMBIZBYHOVKNN-UHFFFAOYSA-N
rxn:4:219053:223007,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(F)cc(C5CCNCC5)c4)c3)cn2)CC1,YXWCAVQDUNMSPF-UHFFFAOYSA-N
rxn:4:219053:224290,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)cc4OCCN4CCOCC4)c3)cn2)CC1,NCYKYHFMHKRMTP-UHFFFAOYSA-N
rxn:4:219059:223536,CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)n2)cc1,WYWBPOOZSUMMRC-UHFFFAOYSA-N
rxn:4:219101:225210,CCCCn1c(=O)c2c(nc(-c3cnc(N4CCC(C)CC4)nc3C)n2C(C)C(C)=O)n(C)c1=O,KCFTYGLTRKJUFK-UHFFFAOYSA-N
rxn:4:219120:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CC1,AWQCMNRSOHNGPW-UHFFFAOYSA-N
rxn:4:219135:224587,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CN6CCC(C)CC6)c(F)c5)c4)C3C2=O)cc1,FWXYOULWEHBGST-UHFFFAOYSA-N
rxn:4:219135:224590,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CN6CCC(C)CC6)cc5F)c4)C3C2=O)cc1,OSUNRWLTFGTCAY-UHFFFAOYSA-N
rxn:4:219135:224634,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC)c(CN6CCOCC6)c5)c4)C3C2=O)cc1,RDMFOIFYZAXERR-UHFFFAOYSA-N
rxn:4:219135:224963,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cccc(COC6CCOCC6)c5)c4)C3C2=O)cc1,LICRWIYXVTYUPE-UHFFFAOYSA-N
rxn:4:219135:225619,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(Cl)cc5OC5CCCC5)c4)C3C2=O)cc1,LWTYSYRKPHSHSG-UHFFFAOYSA-N
rxn:4:219161:227611,COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3ccnn3C3CCCCO3)cnn12,XTKOTWWGVXAYDD-UHFFFAOYSA-N
rxn:4:219174:225867,O=C(CCc1ccccc1-c1cnc(Cl)c(N2CCCCC2)c1)N1CCCc2cnc(N3CCOCC3)nc21,MZCRHWXOTXKINI-UHFFFAOYSA-N
rxn:4:219184:223812,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc2)OC3)CC1,LKWKTPLQBNYFPT-UHFFFAOYSA-N
rxn:4:219210:223699,COC(=O)Cn1nc([N+](=O)[O-])nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,DDKUMJDUDXTCRS-UHFFFAOYSA-N
rxn:4:219281:225828,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1cnc(N2CCCCCC2)nc1,XSCONWIPCPURMI-UHFFFAOYSA-N
rxn:4:219369:225297,Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,AYJNZTQCZFXSLT-GOSISDBHSA-N
rxn:4:219370:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2C1,RLFAXVUXNRJQEJ-UHFFFAOYSA-N
rxn:4:219371:226429,CC1CCCN(c2ccc(-c3nncn3C3CCN(C(=O)OC(C)(C)C)CC3)s2)C1,OPJXETVKILGIEP-UHFFFAOYSA-N
rxn:4:219372:225975,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,NXWDZDPBCGBTJX-UHFFFAOYSA-N
rxn:4:219375:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1,PJKAJASJZQDPHA-UHFFFAOYSA-N
rxn:4:219381:226661,CSc1ncc(-c2cc(N3CCN(C)CC3)cs2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,HFFZHIPPWZVTJD-UHFFFAOYSA-N
rxn:4:219383:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c2)CC1,CIAYAEXGZRFQQT-UHFFFAOYSA-N
rxn:4:219391:222721,Cc1nc(N2CCC(Oc3ccncc3-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)C2)cc(C(F)(F)F)n1,WUEFOEXISDUEGZ-UHFFFAOYSA-N
rxn:4:219401:222987,Cc1nc(C2CCNCC2)ccc1-c1nnc(N2CCCN(C(=O)OC(C)(C)C)CC2)s1,RHXLOHGZGKRJQG-UHFFFAOYSA-N
rxn:4:219401:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2nnc(N3CCCN(C(=O)OC(C)(C)C)CC3)s2)CC1,XQEKHBGZSNFQOA-UHFFFAOYSA-N
rxn:4:219404:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1,BUMLPLGRPSHSPK-UHFFFAOYSA-N
rxn:4:219405:226652,Cc1cc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)n(C2CCCCO2)n1,YVMCWAYRAJYBPD-UHFFFAOYSA-N
rxn:4:219406:225982,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOCC4)cc3F)n2)CC1,SPQRVYIRGFOFCX-UHFFFAOYSA-N
rxn:4:219439:224396,Cc1cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,AWDRJNWFOUWHGI-UHFFFAOYSA-N
rxn:4:219452:225654,Cc1nc(-c2ccc(N3CCCC(C)C3)nc2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,MIHOXWSFLVCTLU-UHFFFAOYSA-N
rxn:4:219452:226395,Cc1nc(-c2cncc(N3CCCCC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,NPOGWWKVDFHBBG-UHFFFAOYSA-N
rxn:4:219452:226427,Cc1nc(-c2cc(N3CCC(C)CC3)cs2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,JPLJUNRXKUNLKD-UHFFFAOYSA-N
rxn:4:219454:226644,Cc1c(-c2cncc(N3CCOCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,PZZIMQQVEGTEIJ-UHFFFAOYSA-N
rxn:4:219463:223529,Cc1cc(OCC2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)ccn1,OGPYLHFYEHCFGJ-UHFFFAOYSA-N
rxn:4:219468:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1OCC,SFJOTRWLPHCUNJ-UHFFFAOYSA-N
rxn:4:219473:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,ILFJNLPDZFVOMV-UHFFFAOYSA-N
rxn:4:219477:223997,Cc1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,KLUIBKYOBGBLEJ-UHFFFAOYSA-N
rxn:4:219487:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,BWAQSVPJBUGRGZ-UHFFFAOYSA-N
rxn:4:219487:223650,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,DOVFKJVSAITWDR-UHFFFAOYSA-N
rxn:4:219487:226247,CCOc1ccc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(OCC)c1,HKOZMLMJYFKVKW-UHFFFAOYSA-N
rxn:4:219489:225834,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(N2CCCCC2)ncc1F,WCIUIOMCBRSWSB-UHFFFAOYSA-N
rxn:4:219489:226679,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCCC2)cc1F,CPNXACAQHSCPAO-UHFFFAOYSA-N
rxn:4:219497:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(C#N)c3)c2Cl)CC1,QERDAUVBSSPXNZ-UHFFFAOYSA-N
rxn:4:219529:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,KBNDQZAJNISPHJ-UHFFFAOYSA-N
rxn:4:219529:228935,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1sc(Cl)cc1C(C)=O,RNQSJYHHGNAMRO-UHFFFAOYSA-N
rxn:4:219530:226896,COCn1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)c(C(F)(F)F)n1,YJPCWDXCNNSWHI-UHFFFAOYSA-N
rxn:4:219531:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,WYDMNRZVVRFPDJ-UHFFFAOYSA-N
rxn:4:219543:223489,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)CC2)n1,YQIALEJUSACEKZ-UHFFFAOYSA-N
rxn:4:219552:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,DNLWEUGRTJIFGB-UHFFFAOYSA-N
rxn:4:219650:226276,COc1ccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)ccc2OC)cc1CN(C)C,RUMYPHQYQFPFAY-UHFFFAOYSA-N
rxn:4:219653:225829,CC1CCN(c2ncc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cn2)CC1,ACESJKXHDLQCRM-UHFFFAOYSA-N
rxn:4:219688:223504,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cn3n2)CC1,YJOGJPKXOBXCOG-UHFFFAOYSA-N
rxn:4:219688:225519,CCOC(=O)CCc1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)cc1,STYSNNWXMGKHMP-UHFFFAOYSA-N
rxn:4:219688:225899,Cc1cc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)n(C(=O)OC(C)(C)C)n1,KSLJQTOCMKXLNU-UHFFFAOYSA-N
rxn:4:219688:225980,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc(N5CCOCC5)ncc4F)cn3n2)CC1,QEEYMWMZCDUWKA-UHFFFAOYSA-N
rxn:4:219692:225294,CCN1CCN(c2ncc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cn2)CC1,CWZOVGGGJHGSFN-UHFFFAOYSA-N
rxn:4:219704:225875,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2)CC1,ROPWORHPEFEJOC-UHFFFAOYSA-N
rxn:4:219710:224157,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cn(C(=O)OC(C)(C)C)c6ccccc56)c(C)c4)C3C2=O)c1,MVSGHTGVHFHOIU-UHFFFAOYSA-N
rxn:4:219750:224818,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,MGPRTZSXLSTMHP-UHFFFAOYSA-N
rxn:4:219759:225975,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnc(N5CCOCC5)c4Cl)cc2)OC3)CC1,JPZYMESJHQEKIC-UHFFFAOYSA-N
rxn:4:219840:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(N4CCN(CCF)CC4)nc3)c2)CC1,RVDUYNXQZJVIRH-UHFFFAOYSA-N
rxn:4:219878:224398,Cc1cc(F)c(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCCC1,RXQWHHPTTBRVLI-UHFFFAOYSA-N
rxn:4:219880:224752,CSc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)c(N2CCN(S(C)(=O)=O)CC2)n1,XWAYWMPRUBTHHU-UHFFFAOYSA-N
rxn:4:219904:223505,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,AMKUZQAQDDPARO-UHFFFAOYSA-N
rxn:4:219939:223812,COc1cc(N2CCN(c3ncccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2=O)ccn1,KECCNJDUWPLFFK-UHFFFAOYSA-N
rxn:4:219955:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,BJUAWYNPJNFAIB-UHFFFAOYSA-N
rxn:4:219979:223505,Cc1ccnc(N2CCN(Cc3ccccc3-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)n1,GNTRZIJYYVYVKG-UHFFFAOYSA-N
rxn:4:219988:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,LNSYRBWPYZNZOD-UHFFFAOYSA-N
rxn:4:220021:223928,CCCC(=O)N1CCn2nc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)nc2C1,AWQAYXBXYQAASV-UHFFFAOYSA-N
rxn:4:220034:223696,CC(C)CC(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)nc2C1,ORTWUUBRHFXTLI-UHFFFAOYSA-N
rxn:4:220039:223539,COc1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VECQQXBPEXPZLG-UHFFFAOYSA-N
rxn:4:220041:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1nnn2c1CN(C(=O)OC(C)(C)C)CC2,UDOMNZMQXOJQEV-UHFFFAOYSA-N
rxn:4:220069:223682,CC(C)(C)OC(=O)N1CCc2nnc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)n2CC1,YUSKZBRYPFOIHY-UHFFFAOYSA-N
rxn:4:220069:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2,KSSLTSJYRHYLIL-UHFFFAOYSA-N
rxn:4:220070:222398,Cc1cc(-c2nc3n(n2)CCCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)NC1CC1,WJUADADFLCCELI-UHFFFAOYSA-N
rxn:4:220149:223828,CCN1CCN(c2cc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)cc(C(F)(F)F)c2)CC1,UGPFCXDPBNOOJO-UHFFFAOYSA-N
rxn:4:220205:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c(Cl)c2)CC1,JGUPWSVUZAZDIP-UHFFFAOYSA-N
rxn:4:220356:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc([N+](=O)[O-])nn3C3CCCCC3)cn2)CC1,ZSGHKNRNZYWTSS-UHFFFAOYSA-N
rxn:4:220393:223776,CC(=O)N1CCN(c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cn2)CC1,REBFFWQQZCKSNN-UHFFFAOYSA-N
rxn:4:220405:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N5CCOC5=O)C4)nc3)cc2F)CC1,CUHJNVRTGDXUOE-UHFFFAOYSA-N
rxn:4:220443:223534,CCC(=O)N1CCn2nc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)nc2C1,LJSCFPBGEFWVDS-UHFFFAOYSA-N
rxn:4:220461:223505,CC(C)C(=O)N1CCn2nc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2C1,XPOXMLAMCBDTFY-UHFFFAOYSA-N
rxn:4:220461:223885,CC(C)C(=O)N1CCn2nc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)nc2C1,KLXAJERALTWVIM-UHFFFAOYSA-N
rxn:4:220464:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1nc2n(n1)CCN(C(=O)C1CCC1)C2,BTRIMCMXPSZYMU-UHFFFAOYSA-N
rxn:4:220491:222546,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)nc2C1,ZEVCQGBNBOTCJU-UHFFFAOYSA-N
rxn:4:220491:222607,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)nc2C1,BWEJAMBZKAFBEB-UHFFFAOYSA-N
rxn:4:220491:224406,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)nc2C1,CAYMWRXWRXPNNT-UHFFFAOYSA-N
rxn:4:220812:223687,CN1CCN(c2cnc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)CC1,HOSVHFBAQHLVMK-UHFFFAOYSA-N
rxn:4:221076:223533,CN1CCn2c(nnc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C1,RTDIVXNAFOJUEE-UHFFFAOYSA-N
rxn:4:221107:225977,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)c(=O)c1C,NRTOQSTXEXFHBQ-UHFFFAOYSA-N
rxn:4:221152:223812,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,FPJBQJCKDYVRLI-UHFFFAOYSA-N
rxn:4:221173:222634,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)ccc1=O,VLMQWPUWHSIAMJ-UHFFFAOYSA-N
rxn:4:221204:222851,CCc1cc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc(C2CCNCC2)n1,KVOYTCBTPSJLST-UHFFFAOYSA-N
rxn:4:221204:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c2ccccc12,BQHGVJSNJCTWQN-UHFFFAOYSA-N
rxn:4:221208:225946,CC(=O)c1cc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)cc(C(F)(F)F)c1,HLCKVVRIEWCRII-UHFFFAOYSA-N
rxn:4:221208:226966,Cc1cc(N2CCN(CCc3ccc(-c4ccc5c(c4)C(=O)CCC5)cc3)CC2)nc(N2CCOCC2)n1,LRITZEYXBFBWFO-UHFFFAOYSA-N
rxn:4:221209:224759,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)n1,QMXXGQQOQNEXMD-UHFFFAOYSA-N
rxn:4:221245:225172,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)CC3)nn2c1C,XSIGDIAYVLIAOG-UHFFFAOYSA-N
rxn:4:221249:222887,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(C(=O)N6CCNCC6)c5)cnn4c3)cc2)CC1,XBZQIKZQSZTXIF-UHFFFAOYSA-N
rxn:4:221249:223670,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccnc5N5CCN(C(=O)OC(C)(C)C)CC5)cnn4c3)cc2)CC1,IKFRZIWMSLVISP-UHFFFAOYSA-N
rxn:4:221348:222546,Fc1cnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nc1,MZZIUWXGHNRBOP-UHFFFAOYSA-N
rxn:4:221350:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC(c5nc(-c6ncccn6)no5)C4)cc3)cc2)CC1,JFPYDMRSHLHUPJ-UHFFFAOYSA-N
rxn:4:221351:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)ccc21,DTUWXCIQSBOVTK-UHFFFAOYSA-N
rxn:4:221374:222634,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1=O,ADBXOJNKIDKZLB-UHFFFAOYSA-N
rxn:4:221412:223687,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)CC2)n1,ALOZDQQQJCULTR-UHFFFAOYSA-N
rxn:4:221419:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2C1,JIDPZSOXLNLRJI-UHFFFAOYSA-N
rxn:4:221429:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)c2Cl)CC1,BTCLSYOCICLSHS-UHFFFAOYSA-N
rxn:4:221442:223061,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(C4CCNCC4)ncc3F)CC2)n1,DLGGRNUCIMRUFW-UHFFFAOYSA-N
rxn:4:221442:226188,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3cc(C)c([Si](C)(C)C)cc3C)CC2)n1,IHFPZFQUTXOUIA-UHFFFAOYSA-N
rxn:4:221447:225671,Cc1cc(N2CCN(Cc3ccc(-c4cc(C5CCCCC5)ncc4F)cc3)CC2)nc(N2CCOCC2)n1,CRSDQHQIBHAQGA-UHFFFAOYSA-N
rxn:4:221498:223929,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)c23)CC1,JXKJIDNGDNVJGD-UHFFFAOYSA-N
rxn:4:221502:222546,Fc1cc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)ccc1OCCNC1CCCCC1,JRMPLXUONHGSIM-UHFFFAOYSA-N
rxn:4:221639:223525,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,COIFNUHLBKJKOW-UHFFFAOYSA-N
rxn:4:221639:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(C)ccc3=O)CC2)nc1,QZSDBASQBGYCFE-UHFFFAOYSA-N
rxn:4:221641:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)n(C(=O)OC(C)(C)C)c12,DNZPCQJFKRJSGV-UHFFFAOYSA-N
rxn:4:221641:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)CC1,FXWATNZVNSCKOG-UHFFFAOYSA-N
rxn:4:221642:228456,COc1nc(SC)ncc1-c1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1,UAUMVTRGVNEBCZ-UHFFFAOYSA-N
rxn:4:221645:222546,CC(C)(C)c1ccc(=O)n(C2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)n1,PYJKYFUZWXLJKV-UHFFFAOYSA-N
rxn:4:221718:222546,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2CCN2CCCCC2)n(C)c1=O,KOYLWPMGEWXLBR-UHFFFAOYSA-N
rxn:4:221730:223573,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,DJPQJWHHIRZNIO-UHFFFAOYSA-N
rxn:4:221745:224720,CC(C)(C)OC(=O)n1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)c(C2CC2)n1,MZYNGBKQAQQATI-UHFFFAOYSA-N
rxn:4:221937:222634,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1,TUUFYVLHMZKPPY-UHFFFAOYSA-N
rxn:4:221952:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)c(F)c2)CC1,YLCRIUARKLDRMK-DUYHBEBVSA-N
rxn:4:221971:222947,OC1CCCN(c2ncc(-c3cnc(OCC4CCN(Cc5nnc6n5CCC6)CC4)nc3)c(Cl)n2)C1,XFLLSGCGHWXRQL-UHFFFAOYSA-N
rxn:4:221971:225182,Clc1c(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)ccnc1OC1CCCCC1,KAQUTJQLHHYMJP-UHFFFAOYSA-N
rxn:4:221980:223812,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)sc3n2)CC1,RCILDNIYGNAQMQ-UHFFFAOYSA-N
rxn:4:221985:225875,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NZLIHULZPCHHJB-JOCHJYFZSA-N
rxn:4:222009:222623,CCC(C)c1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)cc(C2CCNCC2)n1,CVHTWVXABURHDF-UHFFFAOYSA-N
rxn:4:222032:222702,CN(C)c1nccc(N2CCN(c3ncc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3C(F)(F)F)CC2)n1,QYNSLWOZHVFICH-UHFFFAOYSA-N
rxn:4:222161:223671,Cn1nc(C2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n(C2CC2)c1=O,RCPRHCDSCIUSAD-UHFFFAOYSA-N
rxn:4:222337:223697,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)CC2)n1,HSBCKSSBQBNEFR-UHFFFAOYSA-N
rxn:4:222364:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2)CC1,RTEFUWYZASYIHX-UHFFFAOYSA-N
rxn:4:222364:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)CC1,LUEFGXDAMIZKKK-UHFFFAOYSA-N
rxn:4:222373:223845,Cc1cc(C)n(-c2cc(N3CCN(c4ncc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cn4)CC3)ncn2)n1,PQEJJJADQPILJB-UHFFFAOYSA-N
rxn:4:222513:177749,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OC2CCC2)cc(OC)c1F,CSVCGIBUZSFDAS-UHFFFAOYSA-N
rxn:4:222513:214584,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)c(N=CN(C)C)c([N+](=O)[O-])c1,VMUNZXOMBLUORL-UHFFFAOYSA-N
rxn:4:222582:189168,O=C(NCCN1CCOCC1)c1cccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2)c1,XHVMIMQZQQGWFV-UHFFFAOYSA-N
rxn:4:222931:214772,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cnc(Cl)c(N4CCCCC4O)c3)cn2)CC1,IZTQYVYKFZHKEF-UHFFFAOYSA-N
rxn:4:222981:219453,CC(C)N1CCC(N2CC(Cn3cc(-c4ccnc(NC5CCCCC5)c4)cn3)C2)C1=O,FACARJJCNGOAEJ-UHFFFAOYSA-N
rxn:4:223540:214934,CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)nn2c1,NBIJULRIUBXYDD-UHFFFAOYSA-N
rxn:4:223540:217895,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnn2c(OC)c3c(nc12)CCCC3,HKUZTUUCSXBOMR-UHFFFAOYSA-N
rxn:4:223590:215569,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)nnn1C1CCC1,CHVBKMVXGMINBR-UHFFFAOYSA-N
rxn:4:223670:216089,COC(=O)C1CCn2c(nnc2-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1,OOMJUDVFPNOGOU-UHFFFAOYSA-N
rxn:4:223900:197943,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc3c(c2)C(N2CCCCC2)CC3)cc1F,KCQVDAICQFCAQD-UHFFFAOYSA-N
rxn:5:177449:225448:225880,COc1cc(-c2cc(C)ccc2OC2CCCC2)c(-c2cc(C3CCOCC3)ncc2F)cc1OC(C)C,CJVGFBWNILZZJY-UHFFFAOYSA-N
rxn:5:177733:226663:225639,CC1CCN(c2ncccc2-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCSCC4)nc3)c2)CC1,MKYIKYKMXXDMCF-UHFFFAOYSA-N
rxn:5:177736:225784:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1,RNZLDBMMAJSLOV-UHFFFAOYSA-N
rxn:5:177737:225440:225470,CC1CCN(c2ccc(-c3ccc(-c4ccc(C5(C#N)CCCC5)cc4)c(C(=O)OC(C)(C)C)c3)cc2)CC1,RULZYBSNCICOMK-UHFFFAOYSA-N
rxn:5:177738:222960:223010,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2cc(C)cc(C3CCNCC3)c2)cc1OC1CCC1,RWSNHOFHTHHZJC-UHFFFAOYSA-N
rxn:5:177739:223061:225834,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCNCC3)ncc2F)c1-c1cc(N2CCCCC2)ncc1F,IHVAWTKGTSWWMZ-UHFFFAOYSA-N
rxn:5:177850:222984:226971,CCOc1ccc(-c2ccc(CN3CCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCCOC2,VPXKZTAKAQNWLA-UHFFFAOYSA-N
rxn:5:177850:222992:225810,CCOc1ccc(-c2ccc(N3CCCCC3O)cc2)c(C2OCCO2)c1-c1ccc(OC)cc1C1OCCO1,KJSDFUVIEJULBS-UHFFFAOYSA-N
rxn:5:177850:225452:223203,CCOc1ccc(-c2ccc(OC3C=CCCC3)cc2)c(C2OCCO2)c1-c1cccc(C2(O)CCC2)c1,WWHGKRKIQTZHPU-UHFFFAOYSA-N
rxn:5:177850:225594:225880,CCOc1ccc(-c2ccc(F)cc2CN2CCCC2)c(C2OCCO2)c1-c1cc(C2CCOCC2)ncc1F,SGABTDRTLSOTNU-UHFFFAOYSA-N
rxn:5:177850:225620:226452,CCOc1ccc(-c2ccc(OC3CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2OCCCO2)cc1,LJVXZYCCFFWRCE-UHFFFAOYSA-N
rxn:5:177850:226185:226764,CCOc1ccc(-c2ccc(C3CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(F)c(C(=O)OC)c1F,IPUXFHKPKJTBLY-UHFFFAOYSA-N
rxn:5:177850:226190:227613,CCOc1ccc(-c2ccc(C3CCCC3)cc2F)c(C2OCCO2)c1-c1cnn(C2CCOCC2)c1,GMOIJCNFSJWFPI-UHFFFAOYSA-N
rxn:5:177850:226197:223007,CCOc1ccc(-c2ccc(C3CCCOC3)cc2)c(C2OCCO2)c1-c1cc(F)cc(C2CCNCC2)c1,FRBYYNZABFAYHR-UHFFFAOYSA-N
rxn:5:177850:227560:223061,CCOc1ccc(-c2ccc(OC)c(C(F)F)c2)c(C2OCCO2)c1-c1cc(C2CCNCC2)ncc1F,SSUGYKVJPAOCHE-UHFFFAOYSA-N
rxn:5:177851:222984:226971,CCOc1c(-c2ccc(CN3CCC(O)C3)cc2)cc(C2OCCO2)cc1-c1ccc2c(c1)CCCOC2,KDBXLJIXDLEVAD-UHFFFAOYSA-N
rxn:5:177851:225451:226875,CCOc1c(-c2ccc(SC3CCCCC3)cc2)cc(C2OCCO2)cc1-c1cc(F)c(OC(F)F)cc1F,YLBNBDRSNSQAKT-UHFFFAOYSA-N
rxn:5:177851:226371:225498,CCOc1c(-c2cnc(N3CCCC3)cc2C)cc(C2OCCO2)cc1-c1cc(C2CCCCC2)ccc1F,LOBKTWCBGOURRR-UHFFFAOYSA-N
rxn:5:177851:227100:225436,CCOc1c(-c2ccc(CN3CCCCC3)cc2)cc(C2OCCO2)cc1-c1c(C)cc(C2CC2)cc1F,CMUAFEDKHAVMMV-UHFFFAOYSA-N
rxn:5:177891:223144:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1ccc(N2CCC(O)C2)cc1,CBKMCSCCLXOOLT-UHFFFAOYSA-N
rxn:5:177891:223313:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1ccc(C2(O)CC2)cc1,RYMCVLKWLAYFQP-UHFFFAOYSA-N
rxn:5:177891:223389:227386,Cc1n[nH]c(C(F)(F)F)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnn(C2CCCCC2)c1,FGVQAHOZAKXMIH-UHFFFAOYSA-N
rxn:5:177891:223389:228349,Cc1n[nH]c(C(F)(F)F)c1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cnn(C2CCOC2)c1,UTNRHZDWQMRLLU-UHFFFAOYSA-N
rxn:5:177891:226900:228269,COc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(S(F)(F)(F)(F)F)cc2)c(F)cc1C,UBBGMDAOCITNPI-UHFFFAOYSA-N
rxn:5:177891:226901:223354,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)cc1,LNCVFVHSLZZOFV-UHFFFAOYSA-N
rxn:5:177891:226901:227925,CC(C)Oc1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)c1,CCZAYMFZOWMZGX-UHFFFAOYSA-N
rxn:5:177891:227707:227673,CC(F)(F)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccccc2OC(F)(F)F)c1F,OCCGTVFRYSWLQO-UHFFFAOYSA-N
rxn:5:177891:227997:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cc(C2CC2)ccc1F,SMBAVLAAKLNEFJ-UHFFFAOYSA-N
rxn:5:177891:228499:227390,Cn1nc(C(F)(F)F)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnn1C1CCCCC1,MLKSVBDHHSHPSW-UHFFFAOYSA-N
rxn:5:178117:225499:227574,COc1c(F)ccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCOCC2)c1OC,ZYZNXPDVOODKFX-UHFFFAOYSA-N
rxn:5:178117:225499:227587,COc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCOCC2)cc(F)c1OC,FLXHZLNBWPFRNS-UHFFFAOYSA-N
rxn:5:178117:227364:223010,COc1ccc(-c2ccc(-c3ccc(C4(O)CCOCC4)cc3)c(OCC3CCOCC3)c2)c(OC)c1C,VGJXKZKBOXEWOO-UHFFFAOYSA-N
rxn:5:178117:227562:225394,COc1ccc(F)c(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(OCC3CCOCC3)c2)c1OC,FGDZKUOHHULLKH-UHFFFAOYSA-N
rxn:5:178120:225810:226586,COc1ccc(-c2cccc(OCC3CCOCC3)c2-c2ccnc(OC3CCOC3)c2)c(C2OCCO2)c1,HDCZZQVBTPBNMM-UHFFFAOYSA-N
rxn:5:178120:225884:227574,COc1c(F)ccc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3COCCO3)c(F)c2)c1OC,MABBRNHWYVSGRD-UHFFFAOYSA-N
rxn:5:178121:225929:226211,CC(=O)N1CCc2cc(-c3cccc(OCC4CCOCC4)c3-c3ccc(S(=O)(=O)N(C)C)c(C)c3)ccc21,GCKJDBIZVYILCN-UHFFFAOYSA-N
rxn:5:178122:225625:226152,COc1cc(C2CC2)cc(-c2cc(-c3cc(OC4CCCC4)ccc3F)ccc2COC2CCCCO2)c1C,RVLCVYZHNDQQJO-UHFFFAOYSA-N
rxn:5:178122:225625:227185,CN1CCOc2ccc(-c3cc(-c4cc(OC5CCCC5)ccc4F)ccc3COC3CCCCO3)cc21,OAWJGELVEIHHBT-UHFFFAOYSA-N
rxn:5:178122:226152:226191,COc1cc(C2CC2)cc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCCC4)ccc3F)c2)c1C,FDJOXQZTHHALQG-UHFFFAOYSA-N
rxn:5:178122:227371:225394,COc1c(C)ccc(-c2ccc(COC3CCCCO3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1OC,NKCHOYXDOAZAGG-UHFFFAOYSA-N
rxn:5:178122:227535:222990,CCOc1cc(F)c(F)cc1-c1ccc(COC2CCCCO2)c(-c2ccc(N3CCC(O)CC3)cc2)c1,PPTGRNPPZCBNRW-UHFFFAOYSA-N
rxn:5:178225:225394:227562,COc1ccc(F)c(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,FSFRRUDCSRRHMA-UHFFFAOYSA-N
rxn:5:178225:225449:225834,Fc1cnc(N2CCCCC2)cc1-c1c(OCC2CCCCC2)cccc1-c1cccc(OC2CCCCC2)c1,KNTXKYUCRRJTCF-UHFFFAOYSA-N
rxn:5:178225:225453:223202,OC1(c2ccc(-c3c(OCC4CCCCC4)cccc3-c3cccc(SC4CCCCC4)c3)cc2)CCC1,UQFOUTZJOMRATR-UHFFFAOYSA-N
rxn:5:178225:225498:227298,CN(C)Cc1ccc(F)cc1-c1c(OCC2CCCCC2)cccc1-c1cc(C2CCCCC2)ccc1F,GQXVXFJBPXYOFW-UHFFFAOYSA-N
rxn:5:178225:225498:227349,COc1cc(C)cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCCCC3)ccc2F)c1OC,ILTGEDTVTRTBPM-UHFFFAOYSA-N
rxn:5:178225:225618:223202,OC1(c2ccc(-c3c(OCC4CCCCC4)cccc3-c3cccc(OC4CCCCO4)c3)cc2)CCC1,IYLVHNVKDGSHRX-UHFFFAOYSA-N
rxn:5:178225:226596:225451,CC(C)Oc1c(F)ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(SC3CCCCC3)cc2)c1F,RVWRPGDYWRLMST-UHFFFAOYSA-N
rxn:5:178226:225394:227592,COc1cc(F)cc(-c2cccc(OCC3CCCCC3)c2-c2cc(C3CCC3)cc(C3CC3)c2)c1OC,JEFNKPYTUUGASH-UHFFFAOYSA-N
rxn:5:178226:225621:223201,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccccc2C2CCNC2)ccc1OC1CCOC1,IUCIQOQLUCDYFI-UHFFFAOYSA-N
rxn:5:178226:226665:227766,CCn1nc(C(F)(F)F)cc1-c1cccc(OCC2CCCCC2)c1-c1cnc(C2CCCOC2)nc1,QQUYGKQFQHBPRT-UHFFFAOYSA-N
rxn:5:178226:227166:225884,CN1CCOc2cc(-c3c(OCC4CCCCC4)cccc3-c3ccc(C4COCCO4)c(F)c3)ccc21,FZPSKVDRZMAKEI-UHFFFAOYSA-N
rxn:5:178226:227587:225924,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(S(=O)(=O)N(C)C)cc2C)cc(F)c1OC,IHEJQVKYDFKFCV-UHFFFAOYSA-N
rxn:5:178295:228200:228653,COC(=O)C1(c2cc(-c3cnn4c3CCCC4)ccc2-c2ccnn2C2CCCC2)CCC(=O)CC1,USBNJWUFJLUDDY-UHFFFAOYSA-N
rxn:5:178313:227073:225407,COc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C3CCCCCC3)cc2)cc(C2CC2)c1,LDMOTVTXEAPFQC-UHFFFAOYSA-N
rxn:5:178314:225634:223202,Cc1cc(-c2ccc(-c3ccc(C4(O)CCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)cnc1N1CCCCC1,VANGZGGWBHVSIW-UHFFFAOYSA-N
rxn:5:178314:226139:223056,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cnc2C2CC2)ccc1-c1ccc(N2CCC(O)CC2)nc1,YELKCVZQAHHOSP-UHFFFAOYSA-N
rxn:5:178314:226190:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2O[Si](C)(C)C(C)(C)C)c1,RDBODOYKFIFLKL-UHFFFAOYSA-N
rxn:5:178314:227072:225407,COc1cc(C2CC2)ccc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,YZFQADBMDJASQO-UHFFFAOYSA-N
rxn:5:178315:225514:225809,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)ccc2OC2CCOC2)cc(-c2cccc3c2OCC2(CC2)CO3)c1,UJUJCMLLLPELGP-UHFFFAOYSA-N
rxn:5:178315:227058:225445,COc1ccc(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccccc2OC2CCCCC2)c1,GZPLJBFDCHSQFG-UHFFFAOYSA-N
rxn:5:178353:225448:226067,Cc1ccc(OC2CCCC2)c(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc(C5=CCCCC5)cc4)c(C)c3)cc2C)c1,STMKUTYYSLFAIE-UHFFFAOYSA-N
rxn:5:178368:227033:222984,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(CN4CCC(O)C4)cc3)c(C)c2)c(C)cc1-c1ccc(C2CC2)c(C#N)c1,IIAGWZBNEGQAJN-UHFFFAOYSA-N
rxn:5:178466:223006:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cnc(C2CCNCC2)cc1F,TZDBHPBYNAXCHS-UHFFFAOYSA-N
rxn:5:178466:223006:225976,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,PRGQGJDDCQTDGM-UHFFFAOYSA-N
rxn:5:178466:225655:225980,CC1CCN(c2cncc(-c3ccc4c(-c5cc(N6CCOCC6)ncc5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,PYEWFJMHWQPQRM-UHFFFAOYSA-N
rxn:5:178466:225784:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,FVQVPUUMPSOWOW-UHFFFAOYSA-N
rxn:5:178466:225833:225849,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,ATAHJBOHBVWVPP-UHFFFAOYSA-N
rxn:5:178466:225982:223056,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,NTNLCKRNDIUUNN-UHFFFAOYSA-N
rxn:5:178467:223061:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PTRBMTFNPCVCTK-UHFFFAOYSA-N
rxn:5:178467:223061:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,HRVQRAJTYVUNBL-UHFFFAOYSA-N
rxn:5:178467:223064:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,UWUXFJRZKWAVLZ-UHFFFAOYSA-N
rxn:5:178467:225671:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cc(C4CCCCC4)ncc3F)c2OC1,ORQHMWIMCAMHDY-UHFFFAOYSA-N
rxn:5:178467:225834:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,ANMIOZMZTKFMFV-UHFFFAOYSA-N
rxn:5:178467:225834:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,HUACQJLDMDMTCK-UHFFFAOYSA-N
rxn:5:178467:225976:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,MWAPSGDFNWNGIX-UHFFFAOYSA-N
rxn:5:178467:225976:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,IFUWTSGGXACOBD-UHFFFAOYSA-N
rxn:5:178467:226644:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,ZPJMMYZXSCWOCW-UHFFFAOYSA-N
rxn:5:178467:226794:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,AVAWIUQBNASGNW-UHFFFAOYSA-N
rxn:5:178467:227379:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cccnc3N3CCCC3)c2OC1,LIDBZJHVDSGILG-UHFFFAOYSA-N
rxn:5:180020:226835:227390,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2ccnn2C2CCCCC2)ccc1OC1CCCC1=O,AMFCSDFHYPINNX-UHFFFAOYSA-N
rxn:5:180021:222983:227611,COc1c(-c2cccc(CN3CCC(O)C3)c2)cc(C2OCCO2)cc1-c1ccnn1C1CCCCO1,QNPCUTUMUDWYRB-UHFFFAOYSA-N
rxn:5:180021:222984:227611,COc1c(-c2ccc(CN3CCC(O)C3)cc2)cc(C2OCCO2)cc1-c1ccnn1C1CCCCO1,FQXWHURLVHJSJX-UHFFFAOYSA-N
rxn:5:180021:225446:226757,COc1c(-c2cc(C)cc(OC3CCCC3)c2)cc(C2OCCO2)cc1-c1ccc(OC(F)(F)F)c(C)c1,ZNGWANGKOZMTIH-UHFFFAOYSA-N
rxn:5:180021:225799:225594,COc1c(-c2cncc(OC3CCOCC3)c2)cc(C2OCCO2)cc1-c1ccc(F)cc1CN1CCCC1,JYNGRZUNKBQEJI-UHFFFAOYSA-N
rxn:5:180022:222983:227610,COc1c(-c2ccn(C3CCCCO3)n2)ccc(-c2cccc(CN3CCC(O)C3)c2)c1C1OCCO1,KECSGOYWDQUTIX-UHFFFAOYSA-N
rxn:5:180022:222983:227611,COc1c(-c2ccnn2C2CCCCO2)ccc(-c2cccc(CN3CCC(O)C3)c2)c1C1OCCO1,GGGFUOLLBZQKFG-UHFFFAOYSA-N
rxn:5:180022:222984:227610,COc1c(-c2ccn(C3CCCCO3)n2)ccc(-c2ccc(CN3CCC(O)C3)cc2)c1C1OCCO1,UCDLLJSTZHTFGP-UHFFFAOYSA-N
rxn:5:180022:222984:227611,COc1c(-c2ccnn2C2CCCCO2)ccc(-c2ccc(CN3CCC(O)C3)cc2)c1C1OCCO1,UNWUSBGAXUXGJG-UHFFFAOYSA-N
rxn:5:180022:222991:223130,COc1c(-c2ccc(CN3CC(O)C3)cc2)ccc(-c2ccc(N3CCCC(O)C3)cc2)c1C1OCCO1,ZGZOMRAJJOSUQA-UHFFFAOYSA-N
rxn:5:180022:222995:226794,COc1c(-c2cnc(N3CCSCC3)nc2)ccc(-c2cccc(N3CCCC(O)C3)c2)c1C1OCCO1,VQZQQCALMLEHOG-UHFFFAOYSA-N
rxn:5:180022:223010:226177,COc1c(-c2ccnc(C3CCCCC3)c2)ccc(-c2ccc(C3(O)CCOCC3)cc2)c1C1OCCO1,GTSXUWXMOSBDSJ-UHFFFAOYSA-N
rxn:5:180022:223130:222991,COc1c(-c2ccc(N3CCCC(O)C3)cc2)ccc(-c2ccc(CN3CC(O)C3)cc2)c1C1OCCO1,FWWWFJFREQPTHR-UHFFFAOYSA-N
rxn:5:180022:223144:225514,COc1c(-c2cccc3c2OCC2(CC2)CO3)ccc(-c2ccc(N3CCC(O)C3)cc2)c1C1OCCO1,PKHUQWJDKCYTNC-UHFFFAOYSA-N
rxn:5:180022:223186:222984,COc1c(-c2ccc(CN3CCC(O)C3)cc2)ccc(-c2cnn(C3CCCCO3)c2)c1C1OCCO1,ZIEWYWOBFLDMJO-UHFFFAOYSA-N
rxn:5:180022:225449:225515,COc1c(-c2cccc3c2OCC(C)(C)CO3)ccc(-c2cccc(OC3CCCCC3)c2)c1C1OCCO1,XCRPNEAXJVWEAT-UHFFFAOYSA-N
rxn:5:180022:225451:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2ccc(SC3CCCCC3)cc2)c1C1OCCO1,LAMRCCHWGHXIKB-UHFFFAOYSA-N
rxn:5:180022:226427:225879,COc1c(-c2ccc(N3CCOCC3)cc2F)ccc(-c2cc(N3CCC(C)CC3)cs2)c1C1OCCO1,MMGUHPYUPJPOPN-UHFFFAOYSA-N
rxn:5:180022:226464:223010,COc1ccc2c(c1-c1ccc(-c3ccc(C4(O)CCOCC4)cc3)c(OC)c1C1OCCO1)OCCO2,DOKFFCFLBHFFRN-UHFFFAOYSA-N
rxn:5:180022:226875:225639,COc1c(-c2cccnc2N2CCC(C)CC2)ccc(-c2cc(F)c(OC(F)F)cc2F)c1C1OCCO1,AJZAXOATVUCAQY-UHFFFAOYSA-N
rxn:5:180022:227119:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2cc(C3CCCCC3)cs2)c1C1OCCO1,RADUYCIEWOPVQS-UHFFFAOYSA-N
rxn:5:180092:225447:225499,C[Si](C)(C)C#Cc1cc(-c2ccc(OC3CCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,BMDUUGZNKQOWOS-UHFFFAOYSA-N
rxn:5:180097:225879:222405,O=C1NC(=O)C(c2cccc(-c3cc(OC4CCCC4)cc(-c4ccc(N5CCOCC5)cc4F)c3)c2)N1,XADONLPZKAUYAU-UHFFFAOYSA-N
rxn:5:180203:226027:226464,COc1ccc2c(c1-c1cc(OC3CCOCC3)cc(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c1)OCCO2,KVWLWQMGKMYSJW-UHFFFAOYSA-N
rxn:5:180204:226027:226464,COc1ccc2c(c1-c1ccc(OC3CCOCC3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c1)OCCO2,ZETGIMDEULEWBR-UHFFFAOYSA-N
rxn:5:180297:225581:227276,CCc1cc(N(C)C)ncc1-c1cc(C2(C)OCCO2)c(-c2ccc(CN3CCOCC3)cc2)cc1OC,HLEVHOWCQKRSHR-UHFFFAOYSA-N
rxn:5:180297:225803:226176,COc1cc(-c2ccnc(OC3CCOCC3)c2)c(C2(C)OCCO2)cc1-c1ccncc1C1CCCCC1,MTKWBEQBBJAHBS-UHFFFAOYSA-N
rxn:5:180297:225880:225884,COc1cc(-c2cc(C3CCOCC3)ncc2F)c(C2(C)OCCO2)cc1-c1ccc(C2COCCO2)c(F)c1,NGCZAAGMPAMCHC-UHFFFAOYSA-N
rxn:5:180297:227556:226837,COc1cc(-c2cc(OC)c(F)c(OC)c2)c(C2(C)OCCO2)cc1-c1c(C)nn(CC(F)(F)F)c1C,BEFBKSFKFUOTSG-UHFFFAOYSA-N
rxn:5:180422:223002:225810,COc1ccc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C3CCNCC3)cc2F)c(C2OCCO2)c1,ZMNAHPKGCGNPQL-UHFFFAOYSA-N
rxn:5:180422:225499:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2F)cc1,JLRRWSNYXJITFI-UHFFFAOYSA-N
rxn:5:180602:223294:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2O1,HCFLQGKKMGPUJT-UHFFFAOYSA-N
rxn:5:180602:225849:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,WXNKLLLSXDHYGC-UHFFFAOYSA-N
rxn:5:180662:223061:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,BVMRYOIOSOQULJ-UHFFFAOYSA-N
rxn:5:180662:223061:225833,COC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,SGIIQJMTYPUCPV-UHFFFAOYSA-N
rxn:5:182953:225832:226836,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cn(C(C)C)nc2C(F)(F)F)ccc2c1OCCC2=O,ACOYRNHBCWJDIE-UHFFFAOYSA-N
rxn:5:183216:226084:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc3c(c2)C(=O)CCCC3)cc2c1OC(C)(C)CC2=O,XICIOMSAKQGUAL-UHFFFAOYSA-N
rxn:5:183217:226033:226341,COc1cc(F)c(C(C)C)cc1-c1cc2c(c(-c3cc(OC)c(F)c(C(F)(F)F)c3)c1)OC(C)(C)CC2=O,LFXJRSYKVFFURF-UHFFFAOYSA-N
rxn:5:188446:228340:225832,COC(=O)c1cc(-c2sc(C3CC3)nc2OC)c(-c2c(C)nn(C3CCCCO3)c2C)c([N+](=O)[O-])c1,ULEDZRFYPBTFCX-UHFFFAOYSA-N
rxn:5:188448:226027:226181,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c([N+](=O)[O-])cc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,JSTVKFOGCACHRJ-UHFFFAOYSA-N
rxn:5:188458:225925:226212,CON=C1CCc2cc(-c3cc(C(=O)OC)c([N+](=O)[O-])cc3-c3cc(S(=O)(=O)N(C)C)ccc3C)ccc21,NCGSEXIPENQFEF-UHFFFAOYSA-N
rxn:5:188459:222956:226749,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C)cc2C2CCCNC2)cc1-c1c(OC)cccc1C(F)(F)F,LGSCRIHFIUTUKU-UHFFFAOYSA-N
rxn:5:188461:226181:226027,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C3=CCCCC3)nc2)c1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,UKSQSKQJRXKRJZ-UHFFFAOYSA-N
rxn:5:188632:226652:225611,COC(=O)c1nc(OC)c(-c2cc(C)nn2C2CCCCO2)cc1-c1ccc(N2CCCC2)cc1OC,JKUUCWNEMIKRKF-UHFFFAOYSA-N
rxn:5:188633:226084:225832,COC(=O)c1c(-c2ccc3c(c2)C(=O)CCCC3)cnc(OC)c1-c1c(C)nn(C2CCCCO2)c1C,RJJRQNDTVRBYOV-UHFFFAOYSA-N
rxn:5:188787:226027:226464,COc1ccc2c(c1-c1cc(OC3CC3)c([N+](=O)[O-])cc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1)OCCO2,BXACVHHNCRAXMW-UHFFFAOYSA-N
rxn:5:188930:227766:226589,CCn1nc(C(F)(F)F)cc1-c1cc(-c2cc(C(F)F)ncc2C(C)C)c(C(=O)OC)cc1S(N)(=O)=O,PJVYNNUWBSEBEG-UHFFFAOYSA-N
rxn:5:188932:225800:227784,COC(=O)c1cc(-c2ccc(C(=O)N3CCSC3)cc2)c(S(N)(=O)=O)c(-c2cc(F)c(F)c([N+](=O)[O-])c2)c1,SMDIUZZOGLNYFC-UHFFFAOYSA-N
rxn:5:188932:226319:223065,COC(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(N3CCNCC3)cc2F)c1,IWZBDWWOPIDWSC-UHFFFAOYSA-N
rxn:5:189207:223186:228460,COc1ncnc(OC)c1-c1ccc(-c2cnn(C3CCCCO3)c2)cc1C(=O)ON1C(=O)CCC1=O,FEARVUQRVRACPV-UHFFFAOYSA-N
rxn:5:189207:225507:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C(=O)ON1C(=O)CCC1=O,PWCGCSAVLZZJAQ-UHFFFAOYSA-N
rxn:5:189207:225616:226186,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCCC2)ccc1-c1ccccc1C1CCOCC1,QSWKTTDMXZPAOQ-UHFFFAOYSA-N
rxn:5:189207:225616:228078,O=C1OCc2cc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)cc3C(=O)ON3C(=O)CCC3=O)ccc21,YTLMGHURAWADOD-UHFFFAOYSA-N
rxn:5:189207:225871:227998,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)ccc1-c1ccc(F)cc1C1CC1,KQXRZGCNXRJLII-UHFFFAOYSA-N
rxn:5:189207:225986:227125,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1ccccc1C1CCOC1,YKPIYKSIUXVNHA-UHFFFAOYSA-N
rxn:5:189207:226174:228872,COC(=O)c1sccc1-c1ccc(-c2ccc(C3CCCCC3)nc2)cc1C(=O)ON1C(=O)CCC1=O,MFYTWLZYUJWZPC-UHFFFAOYSA-N
rxn:5:189207:226366:228877,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1-c1ccnn1C1CC1F,FLTKVUATMIWWBH-UHFFFAOYSA-N
rxn:5:189207:226411:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,GLZGVLWCBHITFK-UHFFFAOYSA-N
rxn:5:189207:226411:227044,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1ccc(C(=O)C2CC2)cc1,UMCOQUDNGFMGBU-UHFFFAOYSA-N
rxn:5:189207:226411:227081,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)ccc1-c1ccc(N2CCCC2)cc1,MTWRXVMTBLEOEW-UHFFFAOYSA-N
rxn:5:189207:226415:226452,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2N2CCOCC2)ccc1-c1ccc(C2OCCCO2)cc1,FVGZMRAVZDIYPN-UHFFFAOYSA-N
rxn:5:189207:226899:228002,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1sccc1C1CCCC1,MATGDWMBPSVQSG-UHFFFAOYSA-N
rxn:5:189207:226969:225616,O=C1CCCc2cc(-c3ccc(-c4ccccc4C(=O)N4CCCC4)c(C(=O)ON4C(=O)CCC4=O)c3)ccc21,PBQLAJNAWDBCFH-UHFFFAOYSA-N
rxn:5:189207:227047:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCC3)c2)ccc1-c1cccc2c1C(=O)CCC2,OSDRVRUDMPTRBN-UHFFFAOYSA-N
rxn:5:189207:227205:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cccc3c2OCCCO3)cc1C(=O)ON1C(=O)CCC1=O,CEVHVVYXRSQRTI-UHFFFAOYSA-N
rxn:5:189207:227205:225822,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCCO3)ccc1-c1cccc(C(F)(F)F)c1C1CC1,GWWSDDQUBKPCOO-UHFFFAOYSA-N
rxn:5:189207:227205:227745,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCCO3)ccc1-c1ccc(C(F)(F)F)c(F)c1,GZGPPEYREQGQIR-UHFFFAOYSA-N
rxn:5:189207:227515:225450,CC(C)Oc1cnc(F)c(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,FAWGSVMLOITQSQ-UHFFFAOYSA-N
rxn:5:189207:227679:225986,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1-c1ccccc1N1CCCS1(=O)=O,LNTOODPVBJHXDX-UHFFFAOYSA-N
rxn:5:189207:228174:225873,CC(=O)Oc1ccc(-c2ccc(-c3cccc(N4CCOCC4=O)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,XPULGCWLFUZXGK-UHFFFAOYSA-N
rxn:5:189207:228241:226415,CC(=O)c1cc(-c2ccc(-c3ccccc3N3CCOCC3)c(C(=O)ON3C(=O)CCC3=O)c2)ccc1F,XNHGXQZVFLAFSB-UHFFFAOYSA-N
rxn:5:189207:228498:228194,Cc1nn(C(C)C)c(C)c1-c1ccc(-c2cn(C)nc2C(F)(F)F)cc1C(=O)ON1C(=O)CCC1=O,GFULKUFWXIEJHK-UHFFFAOYSA-N
rxn:5:189207:228781:225598,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(F)F)cc2)ccc1-c1cccc(CN2CCSCC2)c1,ILQBEOMBTVBINP-UHFFFAOYSA-N
rxn:5:189207:229083:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(-c2cnc(C(C)C)o2)cc1C(=O)ON1C(=O)CCC1=O,HIQFDCRSBSLDAW-UHFFFAOYSA-N
rxn:5:189208:225584:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccc(C2OCCO2)cc1,VUKRUNNSGCSYJQ-UHFFFAOYSA-N
rxn:5:189208:225584:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1cccc2c1COC2=O,CFCFWVOYUDNCOS-UHFFFAOYSA-N
rxn:5:189208:225871:227131,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1cccc(C2CCOC2)c1,KTOQLHCEBSRJGN-UHFFFAOYSA-N
rxn:5:189208:225873:227044,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1ccc(C(=O)C2CC2)cc1,LMDZQHVGYHVGRL-UHFFFAOYSA-N
rxn:5:189208:225985:226186,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCCS3(=O)=O)c2)cc1-c1ccccc1C1CCOCC1,SPFMLNVNQWTXQS-UHFFFAOYSA-N
rxn:5:189208:226069:226980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCCCC3)c2)cc1-c1cccc2c1C(=O)CCC2,PKKLOHFBQCTCLS-UHFFFAOYSA-N
rxn:5:189208:226084:226319,O=C1CCCCc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C(=O)N5CCC5)cc4)c3)cc21,RNLCNVBSXJVPOE-UHFFFAOYSA-N
rxn:5:189208:226155:227829,CC(=O)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccccc3C3CCC3)c2)cc(C2CC2)c1,DOSTWERWFGDHHX-UHFFFAOYSA-N
rxn:5:189208:226186:228150,COC(=O)c1ccc(-c2cc(-c3ccccc3C3CCOCC3)ccc2C(=O)ON2C(=O)CCC2=O)cc1,HDSHFFOLVVMRAD-UHFFFAOYSA-N
rxn:5:189208:226469:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1C(=O)ON1C(=O)CCC1=O,ISJFOZYBZWPGJZ-UHFFFAOYSA-N
rxn:5:189208:226469:226332,CN1C(=O)COc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C(=O)N4CCC4)c3)cc21,IKPXGWZECPRUDJ-UHFFFAOYSA-N
rxn:5:189208:226652:229168,COc1nc(C)sc1-c1cc(-c2cc(C)nn2C2CCCCO2)ccc1C(=O)ON1C(=O)CCC1=O,JOKBKMXTRZHSIF-UHFFFAOYSA-N
rxn:5:189208:226686:229087,CC(=O)c1ccsc1-c1cc(-c2c(C)cnn2C2CCCCO2)ccc1C(=O)ON1C(=O)CCC1=O,ZBQLMDQLEDDLLX-UHFFFAOYSA-N
rxn:5:189208:226739:227203,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)OCCCO4)c2)cc1[N+](=O)[O-],MONZBRYKYASTLA-UHFFFAOYSA-N
rxn:5:189208:227095:227183,CN1Cc2cc(-c3cc(-c4ccc(C5CC(=O)C5)cc4)ccc3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,SEQKKFGMERVOOP-UHFFFAOYSA-N
rxn:5:189208:227183:227506,CN1Cc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4cccc(/C=C/[N+](=O)[O-])c4)c3)ccc2C1=O,WEDHQNYBDARXGY-VAWYXSNFSA-N
rxn:5:189208:227386:228318,COC(=O)c1ccncc1-c1cc(-c2cnn(C3CCCCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,PMVFDKGSQYSHLS-UHFFFAOYSA-N
rxn:5:189208:227680:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2OC(F)(F)O3)cc1-c1cccc(C(=O)N2CCC2)c1,QQZQHPCYRXITPH-UHFFFAOYSA-N
rxn:5:189208:227764:227183,CN1Cc2cc(-c3cc(-c4cc(F)c(C(F)F)c(F)c4)ccc3C(=O)ON3C(=O)CCC3=O)ccc2C1=O,FRAVDGSMGJEEMY-UHFFFAOYSA-N
rxn:5:189208:228066:226763,COC(=O)c1c(F)cc(-c2cc(-c3ccc4c(c3)OCCO4)ccc2C(=O)ON2C(=O)CCC2=O)cc1F,PSSDUFYOCDZNCD-UHFFFAOYSA-N
rxn:5:189208:228079:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)cc1-c1cccc(C(=O)N2CCC2)c1,NIAZSSIFRRPDRL-UHFFFAOYSA-N
rxn:5:189208:228149:227656,COC(=O)c1ccccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cc(N3CCOCC3)cs2)c1,DEZZCXQCLNZPIK-UHFFFAOYSA-N
rxn:5:189208:228174:226182,CC(=O)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccnc3C3CCCCC3)c2)cc1,SASJWLUVVOOEGR-UHFFFAOYSA-N
rxn:5:189208:228475:226332,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccccc1C(=O)N1CCC1,YFMRZBYSIBHKGT-UHFFFAOYSA-N
rxn:5:189209:223426:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(/C=N/O)c2)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1,AGWKPNFPQWSJGB-MUFRIFMGSA-N
rxn:5:189209:225702:227656,COC(=O)n1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(N4CCOCC4)cs3)c2)cc2ccccc21,FWDIQEGDCMKGLW-UHFFFAOYSA-N
rxn:5:189209:226069:228150,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(C4CCCCC4)c3)c2)cc1,AZSBZKKUEKDVGQ-UHFFFAOYSA-N
rxn:5:189209:226187:228698,CCC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(C4CCOCC4)c3)c2)s1,QGOFQXMOZWGSNJ-UHFFFAOYSA-N
rxn:5:189209:226332:226980,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2C(=O)N2CCC2)cc(-c2cccc3c2C(=O)CCC3)c1,RSWVKCRGPHRMRZ-UHFFFAOYSA-N
rxn:5:189209:227131:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(C3CCOC3)c2)cc(-c2cccc(N3C(=O)C=CC3=O)c2)c1,PXDFTFXJXRBZPL-UHFFFAOYSA-N
rxn:5:189209:227183:227505,CN1Cc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(/C=C/[N+](=O)[O-])cc4)c3)ccc2C1=O,PDOJZMMWPRUCFX-ZHACJKMWSA-N
rxn:5:189209:227203:225873,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCOCC3=O)c2)cc(-c2ccc3c(c2)OCCCO3)c1,JHFYATAKTPOJIJ-UHFFFAOYSA-N
rxn:5:189209:227386:227522,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnn(C4CCCCC4)c3)c2)c(C)n1,PDLUQNLNWSTFGU-UHFFFAOYSA-N
rxn:5:189209:228077:226760,COC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc4c(c3)C(=O)OC4)c2)cc(F)c1F,GPLQXTLZIINDHS-UHFFFAOYSA-N
rxn:5:189209:228893:225926,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(-c2cccc([N+](=O)[O-])c2)c1,OERNHSKXCZQENR-UHFFFAOYSA-N
rxn:5:189209:229091:225943,CC(=O)c1occc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(=O)N3CCOCC3)s2)c1,YEPFBQYFFOLIRS-UHFFFAOYSA-N
rxn:5:189210:223133:227072,COc1cc(C2CC2)ccc1-c1cccc(-c2ccccc2N2CCNCC2)c1C(=O)ON1C(=O)CCC1=O,VLFLUDYGFRXEFA-UHFFFAOYSA-N
rxn:5:189210:225832:227896,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccccc2C=CC#N)c1C(=O)ON1C(=O)CCC1=O,HYNUUCGUZDCDJE-UHFFFAOYSA-N
rxn:5:189210:225871:223424,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(C=NO)cc2)cccc1-c1cccc(N2C(=O)C=CC2=O)c1,ZVNVPZBKWHFETI-UHFFFAOYSA-N
rxn:5:189210:226069:228174,CC(=O)Oc1ccc(-c2cccc(-c3cccc(C4CCCCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1,DOBBLOXEPKLULK-UHFFFAOYSA-N
rxn:5:189210:226069:228345,COC(=O)c1sc(C)cc1-c1cccc(-c2cccc(C3CCCCC3)c2)c1C(=O)ON1C(=O)CCC1=O,VGEVRIXSKPVASG-UHFFFAOYSA-N
rxn:5:189210:228704:226067,CCn1nc(C)c(-c2cccc(-c3ccc(C4=CCCCC4)cc3)c2C(=O)ON2C(=O)CCC2=O)c1C,KZZZHRBEPLZRCE-UHFFFAOYSA-N
rxn:5:189211:225871:223425,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccccc1C=NO,BGKTYKUKSSJFNR-UHFFFAOYSA-N
rxn:5:189211:225871:226146,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc(SC2CCCC2)cc1,BAEHWUMVVWBGGU-UHFFFAOYSA-N
rxn:5:189211:226186:225986,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C2CCOCC2)c1-c1ccccc1N1CCCS1(=O)=O,LOQXTWUAMKDAPJ-UHFFFAOYSA-N
rxn:5:189211:226186:226332,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccccc2C2CCOCC2)c1-c1ccccc1C(=O)N1CCC1,FOIYFDONWOHCCZ-UHFFFAOYSA-N
rxn:5:189211:226415:227927,CCC(=O)c1cccc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2N2CCOCC2)c1,JDIAMXDJVIEGBQ-UHFFFAOYSA-N
rxn:5:189211:226980:228343,COC(=O)c1sc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc3c2C(=O)CCC3)cc1C,STGAEWHMJWCWEO-UHFFFAOYSA-N
rxn:5:189211:228484:227449,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc([N+](=O)[O-])c(F)c2)c1-c1ccc(C2CCOCC2)s1,WXMZMUCDHTVYDC-UHFFFAOYSA-N
rxn:5:189211:228895:222994,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1-c1cccc(N2CCC(O)CC2)c1,JBHXYFPDPJNYEL-UHFFFAOYSA-N
rxn:5:189212:225450:229089,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(C(=O)C2CCCC2)cc1,IZQQLLQXUKQFOK-UHFFFAOYSA-N
rxn:5:189212:225873:228243,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3CCOCC3=O)c2)c1F,AAGGISIOACQYQW-UHFFFAOYSA-N
rxn:5:189212:225987:226187,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C3CCOCC3)c2)c(-c2ccc(N3CCCS3(=O)=O)cc2)c1,DMAUUTCYPGIOIO-UHFFFAOYSA-N
rxn:5:189212:226150:228150,COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(SC3CCCC3)c2)cc1,XOOSSXPXEBCTTG-UHFFFAOYSA-N
rxn:5:189212:226187:227679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cccc(C3CCOCC3)c2)c1,PUDOIMAEDCWNEB-UHFFFAOYSA-N
rxn:5:189212:226452:226415,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2N2CCOCC2)c(-c2ccc(C3OCCCO3)cc2)c1,FJEJVXYSRYLHLH-UHFFFAOYSA-N
rxn:5:189212:227206:226049,Cc1c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)c(OC(F)(F)F)c(F)c2)ccc2c1COC2=O,MAJXTIZAVSTPQG-UHFFFAOYSA-N
rxn:5:189212:227449:228487,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(F)c2[N+](=O)[O-])c(-c2ccc(C3CCOCC3)s2)c1,FPGLXKBYBAGSEU-UHFFFAOYSA-N
rxn:5:189212:227679:223267,CNC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc3c(c2)OC(F)(F)O3)cc1F,ZHFWTOGRMBFNJG-UHFFFAOYSA-N
rxn:5:189212:227992:226738,CC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3COC3)cc2)c([N+](=O)[O-])c1,KJMNMFMNFFQAOW-UHFFFAOYSA-N
rxn:5:189212:228077:225583,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc3c(c2)C(=O)OC3)c1,NQQRWQSSSUBRNT-UHFFFAOYSA-N
rxn:5:189212:228151:225873,COC(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3CCOCC3=O)c2)c1,ZBJMJHVQDAMZCD-UHFFFAOYSA-N
rxn:5:189212:228247:226411,CC(=O)c1ccc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)cc2)c1,ACKGVFNUVHFALZ-UHFFFAOYSA-N
rxn:5:189212:228509:225871,CC(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc1,HJMHGHPLWGGMAV-UHFFFAOYSA-N
rxn:5:189212:228513:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccccc2C2CC2)c1,LEKKCTBSPGNRFS-UHFFFAOYSA-N
rxn:5:189540:223010:225514,COC1CN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cccc3c2OCC2(CC2)CO3)C1,SJFINRNCLOCAAZ-UHFFFAOYSA-N
rxn:5:189662:225879:227540,COc1c(F)cc(SC)cc1-c1ncc(-c2ccc(N3CCOCC3)cc2F)cc1OCC1CCOCC1,LOROWFBKQYLENN-UHFFFAOYSA-N
rxn:5:189665:226837:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cnc(OCC2CCOCC2)c(-c2c(C)nn(CC(F)(F)F)c2C)c1,ZHSSHHNXPKFQGN-UHFFFAOYSA-N
rxn:5:189666:226836:228100,CCCn1nc(C)c(-c2ccc(/C=N/[S@](=O)C(C)(C)C)cc2-c2cn(C(C)C)nc2C(F)(F)F)c1C,RKRIWELNPLFAJJ-FVLOIXKZSA-N
rxn:5:189666:227039:225942,CC(C)c1ncc(-c2ccc(/C=N/[S@](=O)C(C)(C)C)cc2-c2ccc(OC(C)(C)C)cc2)cc1C(F)(F)F,BOBZBLFGAYEWQY-RDDHAFNJSA-N
rxn:5:189673:226571:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn(CC3CCOCC3)c2)ccc1/C=N/S(=O)C(C)(C)C,LWXNNOMKMNCOFE-HIWRWHBISA-N
rxn:5:189674:225928:225631,Cc1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc2/C=N/S(=O)C(C)(C)C)cc1S(=O)(=O)N(C)C,BKJUZOJUHVGNKS-WEMUVCOSSA-N
rxn:5:189675:226395:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)c(/C=N/S(=O)C(C)(C)C)c1,JMOTUPWGLWXHCD-JEPNHJGPSA-N
rxn:5:189718:227768:226189,CN(C)S(=O)(=O)n1cccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(C2CCCC2)c(F)c1,NVRCOJSOMRRQDT-UHFFFAOYSA-N
rxn:5:189718:228599:225818,COc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(C(F)(F)F)cc2C2CC2)cc1C,GXDNLNZWRTZQQF-UHFFFAOYSA-N
rxn:5:189826:227575:225407,COc1ccc(OC)c(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCOCC2)c1F,JOOXMESTQFUTIL-UHFFFAOYSA-N
rxn:5:189827:227667:226469,CC(=O)c1ccc(F)c(-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc3c(c2)N(C)C(=O)CO3)c1F,OSMAOPBEVFBAGH-UHFFFAOYSA-N
rxn:5:189908:225978:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ncc(-c2ccc(N3CCOCC3)nc2F)cc1OCC1CCCCC1,RHGOEVPUYKLKLQ-UHFFFAOYSA-N
rxn:5:189908:227390:226747,CCc1ncc(-c2ncc(-c3ccnn3C3CCCCC3)cc2OCC2CCCCC2)cc1C(F)(F)F,XAJRKRHUJLAXLO-UHFFFAOYSA-N
rxn:5:189909:225849:225976,Fc1cc(N2CCCCC2)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,YXGLIXICQUDOJY-UHFFFAOYSA-N
rxn:5:189909:226322:225446,Cc1cc(OC2CCCC2)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(CCN3CCOCC3)c2)c1,XZKCMXBMTYHVOJ-UHFFFAOYSA-N
rxn:5:189910:225834:226366,Fc1cnc(N2CCCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,SLMBHXQKEBRYLM-UHFFFAOYSA-N
rxn:5:189910:226652:225440,Cc1cc(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)c(CCN3CCOCC3)c2)n(C2CCCCO2)n1,VEMXSOYFKRNOPX-UHFFFAOYSA-N
rxn:5:189952:223061:225976,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,HLVDCCYHUFXDRQ-UHFFFAOYSA-N
rxn:5:189952:225655:227316,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(F)nc(CC(C)C)c1,VNDIIYKTEJACFU-UHFFFAOYSA-N
rxn:5:189952:225784:225982,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)cc1F,BQPFKZGODQHPFA-UHFFFAOYSA-N
rxn:5:189952:225834:227379,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cccnc1N1CCCC1,FBDZWBWZCWHLSA-UHFFFAOYSA-N
rxn:5:189952:225976:223113,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DYGVGHYXDZVWNE-UHFFFAOYSA-N
rxn:5:189952:228866:226837,COCc1noc(C)c1-c1cc(C(=O)N2CCOCC2)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1OC,XINBCEGZWUZMOD-UHFFFAOYSA-N
rxn:5:190001:226658:227072,COc1cc(C2CC2)ccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(N2CCCC2)nc1F,YQIPEJZLEFUATQ-UHFFFAOYSA-N
rxn:5:190001:226739:227679,CC(=O)c1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-],XWPPRHVVDPGWKX-UHFFFAOYSA-N
rxn:5:190001:226771:225880,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C2CCOCC2)ncc1F,UDCQJRHTBNBMIC-UHFFFAOYSA-N
rxn:5:190127:225591:227544,COC(=O)c1ccc(F)cc1-c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1C(=O)N1CCC(OC)CC1,CNGJZJXVENJZLW-UHFFFAOYSA-N
rxn:5:190127:226610:223142,CCc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3)c(C(=O)N3CCC(OC)CC3)c2)cc(C(F)(F)F)c1,JLNXOLFNHNABNS-UHFFFAOYSA-N
rxn:5:190128:223200:226139,COC1CCN(C(=O)c2ccc(-c3ccc(C4CCNC4)cc3)c(-c3cc(C4CC4)cnc3C3CC3)c2)CC1,UGQZRPSCWHLZLU-UHFFFAOYSA-N
rxn:5:190128:227386:225884,COC1CCN(C(=O)c2ccc(-c3cnn(C4CCCCC4)c3)c(-c3ccc(C4COCCO4)c(F)c3)c2)CC1,DPJDVDRPVCSOOZ-UHFFFAOYSA-N
rxn:5:190131:226836:229049,COc1c(-c2cn(C(C)C)nc2C(F)(F)F)cc(C(=O)N2CCCCC2)cc1-c1cnc2n1CCC2,UYWXKCOASJREFD-UHFFFAOYSA-N
rxn:5:190132:225499:228917,COc1cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C(=O)N2CCC(OC)CC2)cnc1F,WLBDEPJZFJQJGQ-UHFFFAOYSA-N
rxn:5:190132:226875:225811,COC1CCN(C(=O)c2ccc(-c3cc(F)c(OC(F)F)cc3F)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)CC1,GMMHEUDOMXXNHR-UHFFFAOYSA-N
rxn:5:190177:226884:226900,O=C1CC(Sc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2c(F)cc(C(F)(F)F)cc2F)cc1,DRBUMQCWOJGEQV-UHFFFAOYSA-N
rxn:5:190177:226887:226900,O=C1CC(Sc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2)C(=O)N1c1ccc(-c2ccc(F)c(C(F)(F)F)c2F)cc1,PWUABQGZKPWBCQ-UHFFFAOYSA-N
rxn:5:190177:228496:226583,O=C1CC(Sc2ccc(-c3ccc(CN4CCOCC4)s3)cc2)C(=O)N1c1ccc(-c2cnn(CC(F)(F)F)c2)cc1,GNJYFQDSNGOMSF-UHFFFAOYSA-N
rxn:5:190194:225499:228178,COCc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2F)c1,KNDCZPRIXSETEE-UHFFFAOYSA-N
rxn:5:190194:225810:226452,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3OCCCO3)cc2)c(C2OCCO2)c1,KZWCURMASOCMHL-UHFFFAOYSA-N
rxn:5:190194:225810:227939,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2C(C)OC)c(C2OCCO2)c1,MWNGJUCWHDDFMA-UHFFFAOYSA-N
rxn:5:190195:223113:225881,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(C3CCOCC3)nc2F)c1)C1CCOCC1,ALFFOTOCOKSVAW-UHFFFAOYSA-N
rxn:5:190195:226438:225810,COc1ccc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cnc(C3CCCC3)cc2F)c(C2OCCO2)c1,OGTWGANZWLGEHJ-UHFFFAOYSA-N
rxn:5:190195:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnn(CC2CCOCC2)c1,TVBOGCAYOUVURL-UHFFFAOYSA-N
rxn:5:190195:227385:225634,Cc1cc(-c2cc(CN(C)C3CCOCC3)ccc2-c2cnc(C(C)(C)C)nc2C)cnc1N1CCCCC1,IEZAEDDCWUQJBI-UHFFFAOYSA-N
rxn:5:190196:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccnc(OC3CCOCC3)c2)c1,XKGIOMMVOHYSJE-UHFFFAOYSA-N
rxn:5:190197:223113:225655,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)c(-c4ccc5c(c4)C(C)(C)C(=O)N5)c3)c2)CC1,WNHVYVXQWSUJPT-UHFFFAOYSA-N
rxn:5:190197:225679:227950,Cc1ccc(N(C)C)cc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCCCC3)cc2F)c1,YXHIOSYAYHZEJO-UHFFFAOYSA-N
rxn:5:190197:226679:227561,COc1cc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3cnc(N4CCCC4)cc3F)c2)cc1OC,JPHYLOQJYQQCIC-UHFFFAOYSA-N
rxn:5:190197:227684:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnn(CC2OCCO2)c1)C1CCOCC1,UZEPGKFCSZEVDP-UHFFFAOYSA-N
rxn:5:190198:226366:223188,CNc1cc(C(F)(F)F)c(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2CN(C)C2CCOCC2)cn1,PWRFEOOPUUHCLV-UHFFFAOYSA-N
rxn:5:190199:228141:222960,CCCc1cc(F)c(-c2ccc(-c3cc(C)cc(C4CCNCC4)c3)cc2CN(C)C2CCOCC2)cn1,UHLXETWOKXNTJG-UHFFFAOYSA-N
rxn:5:190200:227381:225803,CN(Cc1cc(-c2cnc(C3CCCC3)nc2)cc(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,QEWSXDFLFSDQBC-UHFFFAOYSA-N
rxn:5:190201:225784:223113,CC1CN(CCc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,FSZKWLNQIIFMIV-UHFFFAOYSA-N
rxn:5:190201:228460:225784,COc1ncnc(OC)c1-c1ccc(-c2ccc(CN3CCOCC3)nc2)c(CCN2CCOC(C)C2)c1,QXTSSULBZNWHSE-UHFFFAOYSA-N
rxn:5:190231:223058:227341,COc1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(OC(C)C)c1F,UOHREPBZHJXZAW-UHFFFAOYSA-N
rxn:5:190231:225976:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(N2CCOCC2)c1F,OFNHIBRPCQEAAK-UHFFFAOYSA-N
rxn:5:190264:223140:226583,CC1CCN(C(=O)Cc2ccc(-c3ccc(CN4CCOCC4)s3)c(-c3ccnc(C4CCCNC4)c3)c2)CC1,JUTSMQYMXJYPGD-UHFFFAOYSA-N
rxn:5:190264:223251:226901,CC1CCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3ccc4c(c3)OCC(=O)N4)c2)CC1,XJIBDAXYJZQARC-UHFFFAOYSA-N
rxn:5:190264:223437:223008,CC1CCN(C(=O)Cc2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3cc(C#N)[nH]c(=O)c3)c2)CC1,NELNZRMRZGTODC-UHFFFAOYSA-N
rxn:5:190264:226836:228653,CC1CCN(C(=O)Cc2ccc(-c3cnn4c3CCCC4)c(-c3cn(C(C)C)nc3C(F)(F)F)c2)CC1,HEJIPQQJPQWBSW-UHFFFAOYSA-N
rxn:5:190264:226927:227307,Cc1ccc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2c(C)c(C)c(C)c(C)c2C)c(OC(C)C)n1,HKSSTVKZDFXCLD-UHFFFAOYSA-N
rxn:5:190299:227304:227044,COc1ccc(-c2cnc(OC(C)C)cc2C)cc1C=C1SC(=O)N(c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)C1=O,VKZIQWJOXSWBRQ-UHFFFAOYSA-N
rxn:5:190307:228181:226029,CCOc1c(F)c(F)c(-c2ccc(-c3ccc(F)cc3COC)cc2CCN2CCC(C)CC2)c(F)c1F,KRDXJBJMNLLPCR-UHFFFAOYSA-N
rxn:5:190308:223140:227369,CC1CCCN(CCc2cc(-c3ccnc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2OC2CC2)C1,JRVSSKFMMDFQTI-UHFFFAOYSA-N
rxn:5:190308:226068:226685,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(-c2cnc(C3CCOCC3)nc2)c(CCN2CCCC(C)C2)c1,NLLYJIGJHZSWIP-UHFFFAOYSA-N
rxn:5:190308:227769:226759,COc1cc(-c2ccc(-c3cc([N+](=O)[O-])cnc3OC)cc2CCN2CCCC(C)C2)cc(C(F)(F)F)c1,GIPARPRGNWOQJC-UHFFFAOYSA-N
rxn:5:190309:226345:226762,COC(=O)c1cc(-c2ccc(-c3cc(SC)cc(C(F)(F)F)c3)c(CCN3CCCCC3C)c2)c(C)cc1C,XDXSABITZYSSSD-UHFFFAOYSA-N
rxn:5:190335:223389:223439,COc1c(-c2cc(C(F)(F)F)[nH]n2)cc(C(=O)N2CCCCC2C)cc1-c1c(C)n[nH]c1C(F)(F)F,VDDLXNFXHVJOGS-UHFFFAOYSA-N
rxn:5:190335:226329:226921,COc1c(-c2ccc(C3(C#N)CC3)c(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)c(C)cc1C,XHYRXYJRSMPDIR-UHFFFAOYSA-N
rxn:5:190335:228411:226586,COc1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccnc(OC4CCOC4)c3)c2OC)c(F)c1F,CDDGSMHTYGZHNR-UHFFFAOYSA-N
rxn:5:190336:227962:226851,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(C)nc(C4CC4)c3)c2OC)c(C(F)(F)F)cn1,VZVPYZCTCIEZFT-UHFFFAOYSA-N
rxn:5:190336:229197:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cnn(C(F)F)c2)c1OC,HCYOXAMKNRZXBZ-UHFFFAOYSA-N
rxn:5:190418:227660:226145,Cc1ccc(C(F)(F)F)cc1-c1ccc(CC2CC(=O)N(c3ccc(-c4ccc(OC5CCCC5)cc4)cc3C)C2=O)cc1,XHMYQMNSHYKYFO-UHFFFAOYSA-N
rxn:5:190421:223054:227992,CC(c1ccc(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6ccc(C7COC7)cc6)c5)C4=O)o3)cc2)s1)N1CCC(O)C1,JOOLEBYCDCTKCV-UHFFFAOYSA-N
rxn:5:190484:225417:226129,CCOc1ccc2ccccc2c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccc(CN4CCCC4)c3)S(=O)(=O)CC2)c1,HGAGIAFGZUAJEI-UHFFFAOYSA-N
rxn:5:190484:226777:228381,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(F)cc(C#N)cc4F)S(=O)(=O)CC3)c2)cc(OC(F)F)c1F,MDVYYSXTLDLHMX-UHFFFAOYSA-N
rxn:5:190484:229080:226901,O=C(c1cccc(-c2cnc(C3CC3)s2)c1)N1CCC(c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)S(=O)(=O)CC1,LWZNAQYEGQVHGX-UHFFFAOYSA-N
rxn:5:190740:223065:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,FSAJODAKYOTWMX-UHFFFAOYSA-N
rxn:5:190740:225834:225976,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,WGLPGVILAKVIKN-UHFFFAOYSA-N
rxn:5:190740:225849:225454,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,UVWZBNKYGPQKMK-UHFFFAOYSA-N
rxn:5:190740:225849:225656,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cncc(N2CCCCC2C)c1,JECZMPLFXGMBQW-UHFFFAOYSA-N
rxn:5:190740:225881:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,KRHMEHRDKWGZPY-UHFFFAOYSA-N
rxn:5:190741:223056:223062,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,GKDNTDUFCOMZOL-UHFFFAOYSA-N
rxn:5:190741:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,BBHLIGZQLXYIGT-UHFFFAOYSA-N
rxn:5:190741:223065:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,OAYZAKRLSWCAHD-UHFFFAOYSA-N
rxn:5:190741:225655:223062,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,YPTUDQKUZSCQIS-UHFFFAOYSA-N
rxn:5:190741:225684:225595,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3C)cc(C)cc2c1-c1ccc(F)c(CN2CCCC2)c1,XGPNSZCLNZGKTH-UHFFFAOYSA-N
rxn:5:190741:225834:223061,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ATVADJXPCUIIMN-UHFFFAOYSA-N
rxn:5:190741:225849:225454,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2=CCN(C)CC2)cc1,DWKOWDOOOIBGLL-UHFFFAOYSA-N
rxn:5:190742:223062:225598,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cccc(CN2CCSCC2)c1,WUGSFFAQGANUHE-UHFFFAOYSA-N
rxn:5:190742:223062:226571,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cnn(CC2CCOCC2)c1,YIVWSAAXMRKMRK-UHFFFAOYSA-N
rxn:5:190742:225784:225590,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(CN2CCCC2)c(F)c1,CTPFQPVUZRLCNL-UHFFFAOYSA-N
rxn:5:190742:225849:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,VXMBPIJTBOULDU-UHFFFAOYSA-N
rxn:5:190742:225849:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccc(C2CCNCC2)nc1F,ZTMFLMRXUBIGSX-UHFFFAOYSA-N
rxn:5:190742:225849:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,RCVDFMYQKOKKEO-UHFFFAOYSA-N
rxn:5:190742:225881:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cc(C2CCNCC2)ncc1F,PWOGVDRGOVXFKD-UHFFFAOYSA-N
rxn:5:190743:223056:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cc(C2CCNCC2)ncc1F,DYJVNGIMWXXZTE-UHFFFAOYSA-N
rxn:5:190743:225784:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccnc(N2CCCCC2)c1F,YCADWXGUJAXSKS-UHFFFAOYSA-N
rxn:5:190743:225976:225656,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cncc(N2CCCCC2C)c1,LOCOFLKKNDXFLW-UHFFFAOYSA-N
rxn:5:190744:223056:223064,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,WLNCIWMYTKQXFZ-UHFFFAOYSA-N
rxn:5:190744:225982:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XQOVWEWITPDWBF-UHFFFAOYSA-N
rxn:5:190832:225654:226457,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCCC(C)C4)nc3)c(C)c2c1-c1ccc(C2CCOC2)c(F)c1,XSLBQOMJQMZWEX-UHFFFAOYSA-N
rxn:5:190832:225655:225833,CCOC(=O)c1cnc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,QALFGZHOQGWGOM-UHFFFAOYSA-N
rxn:5:190833:226835:229048,CC(C)n1nc(C(F)(F)F)cc1-c1ccc(-c2cnn3c2CCC3)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,XEJUBMJMYWHRON-UHFFFAOYSA-N
rxn:5:190859:225464:227717,CC1CCCN(c2cccc(-c3ccc4c(c3-c3ccc(F)cc3OC(F)F)CCN4C(=O)OC(C)(C)C)c2)C1,OPWRMJQMRLRVAA-UHFFFAOYSA-N
rxn:5:190859:225812:226142,Cc1cc(-c2ccc3c(c2-c2cccc(OC4CCCC4)c2)CCN3C(=O)OC(C)(C)C)c(F)c(OC(C)C)c1F,XGAFNOURQOIAQE-UHFFFAOYSA-N
rxn:5:190993:226901:226900,O=C1COc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2CN1CCc1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1,KWNPKRQUNPCRFP-UHFFFAOYSA-N
rxn:5:190998:225446:228463,COC(=O)c1cc(-c2ccc(OC(F)F)nc2)ccc1N1Cc2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2OCC1=O,HUYBPOAGZSCWEZ-UHFFFAOYSA-N
rxn:5:191049:225978:227684,COc1cc(N2Cc3cc(-c4ccc(N5CCOCC5)nc4F)ccc3OCC2=O)c(OC)cc1-c1cnn(CC2OCCO2)c1,ADCWCRFKTCUMBE-UHFFFAOYSA-N
rxn:5:191049:226366:228653,COc1cc(N2Cc3cc(-c4ccnc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnn2c1CCCC2,VAQXBIHFNSHWTH-UHFFFAOYSA-N
rxn:5:191049:226794:223056,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCC(O)CC2)nc1,JGEARTDZHPQNSY-UHFFFAOYSA-N
rxn:5:191049:227919:226424,CCOc1cc(C)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(N5CCCC(C)C5)cs4)cc2OC)C(=O)CO3)c1,ORFUIRPRCAWIOO-UHFFFAOYSA-N
rxn:5:192234:226837:225935,COc1c(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc(-c2c(C)nn(CC(F)(F)F)c2C)cc1S(N)(=O)=O,TWEBERGKJRZXRT-UHFFFAOYSA-N
rxn:5:192235:226836:226054,COc1cc(-c2cn(C(C)C)nc2C(F)(F)F)c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1S(N)(=O)=O,VZHWKKYSRPOCQF-UHFFFAOYSA-N
rxn:5:192560:225925:225622,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccccc2OC2CCCCO2)c(C(=O)N2CCC2)c1,UTTLYXQGFLMGQN-UHFFFAOYSA-N
rxn:5:192561:225616:225871,O=C(c1ccccc1-c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1C(=O)N1CCC1)N1CCCC1,VYZFDWRQVJFIEA-UHFFFAOYSA-N
rxn:5:193051:226901:222990,O=C1CCCN1Cc1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(N2CCC(O)CC2)cc1,AHPIWAJFUBNAOL-UHFFFAOYSA-N
rxn:5:193052:226900:225818,O=C(c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1ccc(C(F)(F)F)cc1C1CC1)N1CCCC1,ZVKHEDALDBIGKB-UHFFFAOYSA-N
rxn:5:193225:226420:226374,O=C(c1cc(-c2ccc(F)c(N3CCCC3)c2)ccc1-c1cncnc1C1CCCCC1)N1CCOCC1,FJGQKGOUZRXLNA-UHFFFAOYSA-N
rxn:5:193225:228211:225439,CC(c1cccc(-c2ccc(-c3cc(N4CCCC4)cs3)cc2C(=O)N2CCOCC2)c1)N1CCCC1,HDZWSPSNOPEDII-UHFFFAOYSA-N
rxn:5:193226:223061:225784,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(CN3CCOCC3)nc2)c1)N1CCOCC1,JJWHITUJLXIOAL-UHFFFAOYSA-N
rxn:5:193226:223062:225598,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cccc(CN3CCSCC3)c2)c1)N1CCOCC1,FPJSCGPQNRSGNU-UHFFFAOYSA-N
rxn:5:193226:225982:223141,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cncc(C3CCNCC3)c2)c1)N1CCOCC1,SSJWGNZMBFMCDJ-UHFFFAOYSA-N
rxn:5:193226:226837:226450,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(=O)N2CCOCC2)cc1-c1cccc(C2(C)OCCO2)c1,OTZMTDXVBSTSIX-UHFFFAOYSA-N
rxn:5:193229:225976:222987,Cc1nc(C2CCNCC2)ccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccnc(N2CCOCC2)c1F,XIVIFBINABRHSZ-UHFFFAOYSA-N
rxn:5:193229:226571:223006,O=C(c1cccc(-c2cnn(CC3CCOCC3)c2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,WSYALZHRWVYKGF-UHFFFAOYSA-N
rxn:5:193230:225976:227316,CC(C)Cc1cc(-c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2C(=O)N2CCOCC2)cc(F)n1,BHMJCCQEESUQLL-UHFFFAOYSA-N
rxn:5:193230:226583:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,DLHYXGDJGWQRBV-UHFFFAOYSA-N
rxn:5:193230:226864:225515,CC1(C)COc2cccc(-c3cc(-c4cc(F)c(OC(F)F)c(F)c4)ccc3C(=O)N3CCOCC3)c2OC1,FKGOYBVUUXTMTO-UHFFFAOYSA-N
rxn:5:193231:227079:225679,CC(C)Cc1ccc(F)c(-c2ccc(C(=O)N3CCSCC3)c(-c3ccc(N4CCCCC4)cc3F)c2)c1,VHFTXTVXKZONLO-UHFFFAOYSA-N
rxn:5:193335:226366:225982,Fc1cc(N2CCOCC2)ncc1-c1cccc(-c2ccnc(N3CCCCC3)c2)c1CN1CCOCC1,HOUJVEFVQVVGFY-UHFFFAOYSA-N
rxn:5:193382:223065:226366,O=S(=O)(c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,WFQDFRMVVBSRTL-UHFFFAOYSA-N
rxn:5:193382:223439:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1S(=O)(=O)N1CCOCC1,VKRBJTWDKVETSK-UHFFFAOYSA-N
rxn:5:193382:226464:227458,COc1ccc2c(c1-c1ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc4c(c3)OCCN4C)c1)OCCO2,IJGPSSJPUZWMKA-UHFFFAOYSA-N
rxn:5:193382:226652:228974,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnn(S(C)(=O)=O)c3)c2)n(C2CCCCO2)n1,RSXVQNVNLLIWEI-UHFFFAOYSA-N
rxn:5:193382:227371:226586,COc1c(C)ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(OC4CCOC4)c3)c2)c1OC,JEHKOYLPXSHMLV-UHFFFAOYSA-N
rxn:5:193382:227679:225986,O=S1(=O)CCCN1c1ccccc1-c1cc(-c2ccc3c(c2)OC(F)(F)O3)ccc1S(=O)(=O)N1CCOCC1,PNPKPBDJMOQDTK-UHFFFAOYSA-N
rxn:5:193459:227437:225584,O=C(c1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(-c2ccnc(C3CCCO3)c2)c1)N1CCCCC1,NMSXDPYZHPZIHO-UHFFFAOYSA-N
rxn:5:193461:225805:227611,CC(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccnn3C3CCCCO3)c2)s1)N1CCOCC1,PRLYRNNQPRWLII-UHFFFAOYSA-N
rxn:5:193462:226464:226318,COc1ccc2c(c1-c1ccc(-c3cc(C4CC4)nc(N(C)C)c3)c(CN3CCC(=O)CC3)c1)OCCO2,SWWLDPDWCZOSJD-UHFFFAOYSA-N
rxn:5:193462:226836:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cn(C(C)C)nc2C(F)(F)F)cc1CN1CCC(=O)CC1,XYLPNOGVGZHJKR-UHFFFAOYSA-N
rxn:5:193463:222993:226901,O=C1CCN(Cc2ccc(-c3cccc(N4CCCCC4O)c3)cc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,JEGWNBYIJLNXPP-UHFFFAOYSA-N
rxn:5:193463:226054:226969,O=C1CCN(Cc2ccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)cc2-c2ccc3c(c2)CCCC3=O)CC1,YDCSEILQPHEQER-UHFFFAOYSA-N
rxn:5:193465:225986:227748,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O,WYULWOZRAKWIFL-SFHVURJKSA-N
rxn:5:193465:226042:227505,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,QJOPXQZJYJXUOI-VOGRQWBCSA-N
rxn:5:193465:226047:227784,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)c(F)c([N+](=O)[O-])c2)c1-c1ccc(OC(F)(F)F)c(F)c1F,QLEWJOMHTIJIEA-LBPRGKRZSA-N
rxn:5:193465:226084:225871,C[C@H]1CCCN1C(=O)c1cccc(-c2cccc(N3C(=O)C=CC3=O)c2)c1-c1ccc2c(c1)C(=O)CCCC2,ROWQHWSTXKHXTL-NRFANRHFSA-N
rxn:5:193465:226969:226053,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(OC(F)(F)F)c2F)c1-c1ccc2c(c1)CCCC2=O,MGNYAZMKOCKAQQ-INIZCTEOSA-N
rxn:5:193465:227207:226054,C[C@H]1CCCN1C(=O)c1cccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c1-c1cccc2c1OCCC2=O,NUVLIPIDLSRQFM-HNNXBMFYSA-N
rxn:5:193465:227659:222993,Cc1c(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2cccc(N3CCCCC3O)c2)cccc1C(F)(F)F,NWPKVQYFJJENLN-CQHAJPFMSA-N
rxn:5:193465:227707:225616,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2C(=O)N2CCCC2)c1-c1ccccc1OC(F)(F)F,PWNAKDKLKDIDCE-FQEVSTJZSA-N
rxn:5:193465:227752:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccc(C(F)(F)F)cc1F,AYIXXXSTILJDRA-SFHVURJKSA-N
rxn:5:193466:226042:223216,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,JMOCRLBIAJDASH-MRXNPFEDSA-N
rxn:5:193466:226900:227119,C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(C3CCCCC3)cs2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,LISJOVOZNJJLDJ-LJQANCHMSA-N
rxn:5:193467:226041:227800,C[C@H]1CCCN1C(=O)c1cc(-c2cc(F)nc(C(F)(F)F)c2)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,ANKIPBLLHQEZIA-ZDUSSCGKSA-N
rxn:5:193467:226190:226900,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccc(C2CCCC2)cc1F,SCEBNHYOFHVQSI-IBGZPJMESA-N
rxn:5:193467:226900:223143,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1ccc(S(F)(F)(F)(F)F)cc1,WAAXCKTWOSVFLM-XGLRFROISA-N
rxn:5:193467:226901:225987,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(N3CCCS3(=O)=O)cc2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1,CYDMQNRYQXCFHP-IBGZPJMESA-N
rxn:5:193467:227749:225986,C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1-c1cc(F)cc(C(F)(F)F)c1,ARHLAIZJAABQRW-SFHVURJKSA-N
rxn:5:193467:227756:225873,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1-c1c(F)cccc1C(F)(F)F,XGUFFKZNGBFBQV-SFHVURJKSA-N
rxn:5:193468:222992:227755,C[C@H]1CCCN1C(=O)c1c(-c2ccc(N3CCCCC3O)cc2)cccc1-c1cc(C(F)(F)F)ccc1F,ITAFIRRLLDLHHK-JDEXWRGDSA-N
rxn:5:193468:225450:227659,Cc1c(-c2cccc(-c3ccc(C(=O)C4CCCC4)cc3)c2C(=O)N2CCC[C@@H]2C)cccc1C(F)(F)F,LPPOTTXCYHZSTJ-FQEVSTJZSA-N
rxn:5:193468:225469:226901,CC1CCCN(c2ccc(-c3cccc(-c4cccc(S(F)(F)(F)(F)F)c4)c3C(=O)N3CCC[C@@H]3C)cc2)C1,SZXMHDCGMGVEGL-KEKNWZKVSA-N
rxn:5:193468:226084:226839,C[C@H]1CCCN1C(=O)c1c(-c2ccc3c(c2)C(=O)CCCC3)cccc1-c1cc(C(F)(F)F)ncc1C#N,YQHGOEDMNVTXSW-SFHVURJKSA-N
rxn:5:193469:222992:226742,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCCCC3O)cc2)cc1-c1ccc(C#N)cc1C(F)(F)F,XNCFFZQXAHTMSG-CUXXENAFSA-N
rxn:5:193469:223145:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1-c1cccc(S(F)(F)(F)(F)F)c1,LNZZQDRMRVXTCA-QOBPCVTDSA-N
rxn:5:193469:226332:225871,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(=O)N2CCC2)cc1-c1cccc(N2C(=O)C=CC2=O)c1,FBSOXNGRMISRTR-OAQYLSRUSA-N
rxn:5:193506:225832:229093,Cc1ncnc(C)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1S(=O)(=O)N1CCC(=O)CC1,JCKWJNQGVHXZNE-UHFFFAOYSA-N
rxn:5:193506:225926:229083,CC(C)c1ncc(-c2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)o1,MFNPMTYUTQIBKB-UHFFFAOYSA-N
rxn:5:193506:227390:228455,COc1ncc(-c2cc(-c3ccnn3C3CCCCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)c(OC)n1,GUTWAEASTMQAFC-UHFFFAOYSA-N
rxn:5:193506:227610:228195,Cc1nn(C(C)(C)C)cc1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1S(=O)(=O)N1CCC(=O)CC1,ROSCYQGNYBPKIK-UHFFFAOYSA-N
rxn:5:193506:227611:228416,COc1cc(F)cc(F)c1-c1cc(-c2ccnn2C2CCCCO2)ccc1S(=O)(=O)N1CCC(=O)CC1,QFGZGWUGYXNZDU-UHFFFAOYSA-N
rxn:5:193506:228150:226899,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1,VYUWTZSTBREHFJ-UHFFFAOYSA-N
rxn:5:193506:228200:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccnn2C2CCCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,TUIWCVFVKDJERO-UHFFFAOYSA-N
rxn:5:193506:228497:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccnn2CC(F)(F)F)ccc1S(=O)(=O)N1CCC(=O)CC1,AKXBANZOFYSMHQ-UHFFFAOYSA-N
rxn:5:193506:228653:226747,CCc1ncc(-c2cc(-c3cnn4c3CCCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C(F)(F)F,BDZSJOLDFAQMCJ-UHFFFAOYSA-N
rxn:5:193506:229061:225986,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3N3CCCS3(=O)=O)c2)cn1,LWNMKUQOMDOVRF-UHFFFAOYSA-N
rxn:5:193506:229197:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(C(F)F)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,VGHZXAYGHZVXEM-UHFFFAOYSA-N
rxn:5:193541:222404:226573,Cc1nc(OC(C)(C)C)ncc1-c1cc(CN2CCCCC2)cc(-c2ccc(C3NC(=O)NC3=O)cc2)c1,KTTOJTRHUXKJGN-UHFFFAOYSA-N
rxn:5:193542:226333:225451,O=C(c1cccc(-c2cccc(CN3CCCCC3)c2-c2ccc(SC3CCCCC3)cc2)c1)N1CCC1,ZFOALLOCAXUERY-UHFFFAOYSA-N
rxn:5:193681:227611:222982,CN1CCC(Oc2cc(-c3ccnn3C3CCCCO3)ccc2-c2ccc(CN3CC[C@@H](O)C3)cc2)CC1,BVXVATDOUYZTRV-SYQKMTEESA-N
rxn:5:193711:226582:225985,CN(C)C(=O)c1ccc(-c2ccc(N3C(=O)C(=Cc4ccccc4-c4cccc(N5CCCS5(=O)=O)c4)SC3=S)cc2)c(F)c1,XLSNJDFVTYDOQA-UHFFFAOYSA-N
rxn:5:193748:226901:227450,CC1CCCN(C(=O)c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2-c2cccc(C3CC3(F)F)c2)C1,STWPNCRRNKLLPS-UHFFFAOYSA-N
rxn:5:193751:225819:223307,CC1CCCN(C(=O)c2cc(-c3ccc4c(c3)CCNC4)ccc2-c2cc(C(F)(F)F)ccc2C2CC2)C1,CXFGLRFGCNCWPK-UHFFFAOYSA-N
rxn:5:193753:225605:227968,Cc1cnc(OC2CCCC2)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3cnccc3C3CCC3)c2)c1,BGMGEHRKIAFEJK-UHFFFAOYSA-N
rxn:5:193753:227613:227029,CC1CCCCN1C(=O)c1cc(-c2cnn(C3CCOCC3)c2)cc(-c2ccccc2C(C)(C)C#N)c1,QUYILCJLYJFIFF-UHFFFAOYSA-N
rxn:5:193754:228196:225633,Cc1ncnc(C2CC2)c1-c1cccc(C(=O)N2CCC(C)CC2)c1-c1ccc(N2CCCCCC2)nc1,ACPQILSQTFLTTO-UHFFFAOYSA-N
rxn:5:193756:226064:227552,CC1CCCCN1C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccccc1CC(F)(F)F,FKJAWGBLXJBTJU-UHFFFAOYSA-N
rxn:5:193756:226900:227563,CC1CCCCN1C(=O)c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1-c1cccc(CC(F)(F)F)c1,RPPYHVIQFQEBNU-UHFFFAOYSA-N
rxn:5:193807:222991:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1ccc(N2CCCC(O)C2)cc1,BMOPGKUQOYTILO-UHFFFAOYSA-N
rxn:5:193807:225622:227038,COc1ccc(C(C)C)cc1-c1cccc(CN2CCC(C)CC2)c1-c1ccccc1OC1CCCCO1,PIIILRYKZMWQTI-UHFFFAOYSA-N
rxn:5:193809:226901:226159,CC1CCN(Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2-c2cccc(N3CCCCC3)c2)CC1,YBMAUKKSXQCLHI-UHFFFAOYSA-N
rxn:5:193866:226974:222993,CC1(C)OCc2cc(-c3ccc(C4(N5CCC(=O)CC5)CC4)cc3-c3cccc(N4CCCCC4O)c3)ccc21,QTUNQPOSPZFTGI-UHFFFAOYSA-N
rxn:5:193868:226320:227365,CCOc1cc(-c2ccc(-c3cc(C4(C#N)CC4)ccc3F)cc2C(=O)N2CC(C)OC(C)C2)cc(C)c1F,QRTBLEXXKOARKN-UHFFFAOYSA-N
rxn:5:193869:226768:228066,CSc1ccc(-c2cc(C)c(-c3ccc4c(c3)OCCO4)cc2S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,PYAWAWJMBAQTEG-UHFFFAOYSA-N
rxn:5:193870:226835:228357,COc1nc(C)c(-c2cc(-c3cc(C(F)(F)F)nn3C(C)C)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)n1,RVFVCFRDBNWGEK-UHFFFAOYSA-N
rxn:5:193870:228610:225607,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1ccc(C(C)(C)C)s1,ZGCYEEUENZHEMF-UHFFFAOYSA-N
rxn:5:193871:226347:226654,Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2csc(N3CCC(C)CC3)n2)c(OC(C)C)cc1F,VKJGGDXAXLVLFF-UHFFFAOYSA-N
rxn:5:193932:226900:228182,CC1CC(C)CN(C(=O)c2ccc(-c3cccc(CC(F)F)c3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,UCKUAZLDSSIKRU-UHFFFAOYSA-N
rxn:5:193967:223146:228866,COCc1noc(C)c1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1CN1CCC2(CC1)OCCO2,IDPKEZHICMHOHI-UHFFFAOYSA-N
rxn:5:193967:223307:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)CCNC3)ccc1CN1CCC2(CC1)OCCO2,RRPXQVAYTYGFTI-UHFFFAOYSA-N
rxn:5:193967:223340:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)NCCO3)ccc1CN1CCC2(CC1)OCCO2,AQKIDLNUSFSMAY-UHFFFAOYSA-N
rxn:5:193967:225446:228180,COCc1cc(-c2cc(-c3cc(C)cc(OC4CCCC4)c3)ccc2CN2CCC3(CC2)OCCO3)ccc1F,VLQJCLQPVNSBAV-UHFFFAOYSA-N
rxn:5:193967:225499:227943,Cc1ccc(N(C)C)c(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CN2CCC3(CC2)OCCO3)c1,LISUJOGTQUHBLK-UHFFFAOYSA-N
rxn:5:193967:225611:225447,COc1cc(N2CCCC2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(OC3CCCCC3)cc2)c1,MLGVRKYJEZYPKV-UHFFFAOYSA-N
rxn:5:193967:226343:228278,COc1cc(C)c(F)cc1-c1cc(-c2ccc(OC3CCOC3)cc2)ccc1CN1CCC2(CC1)OCCO2,CUQKGGBUGBUGEJ-UHFFFAOYSA-N
rxn:5:193967:226450:228393,COc1c(F)cc(F)cc1-c1cc(-c2cccc(C3(C)OCCO3)c2)ccc1CN1CCC2(CC1)OCCO2,CQYDEIUINMJVQB-UHFFFAOYSA-N
rxn:5:193967:226464:222991,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(N4CCCC(O)C4)cc3)c1)OCCO2,UHRLCIFFRUEGPG-UHFFFAOYSA-N
rxn:5:193967:226464:222995,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc(N4CCCC(O)C4)c3)c1)OCCO2,GOFGPRDTMWXRRW-UHFFFAOYSA-N
rxn:5:193967:226464:223144,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(N4CCC(O)C4)cc3)c1)OCCO2,WDAZYMNNFROSPC-UHFFFAOYSA-N
rxn:5:193967:226664:227055,COc1ccc(-c2cc(-c3cc(N4CCCC4)ncc3F)ccc2CN2CCC3(CC2)OCCO3)cc1C1CC1,YBKUXTQJODNBOP-UHFFFAOYSA-N
rxn:5:193967:226971:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,DGYPGMHNLIJKFF-UHFFFAOYSA-N
rxn:5:193967:227203:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1CN1CCC2(CC1)OCCO2,YVDARRLFDMJPJL-UHFFFAOYSA-N
rxn:5:193967:227205:228340,COc1nc(C2CC2)sc1-c1cc(-c2cccc3c2OCCCO3)ccc1CN1CCC2(CC1)OCCO2,YLTYRUDCIXPUHQ-UHFFFAOYSA-N
rxn:5:193967:227375:228180,COCc1cc(-c2cc(-c3ccc(N4CCCC4)nc3)ccc2CN2CCC3(CC2)OCCO3)ccc1F,HHZKVWWFZBLDEQ-UHFFFAOYSA-N
rxn:5:193967:227863:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)CCCO3)ccc1CN1CCC2(CC1)OCCO2,NOCKHWNAUYZBNV-UHFFFAOYSA-N
rxn:5:193967:227867:228340,COc1nc(C2CC2)sc1-c1cc(-c2cccc3c2OCCC3)ccc1CN1CCC2(CC1)OCCO2,KRRWHQZCPAUQTK-UHFFFAOYSA-N
rxn:5:193967:227868:227492,COc1ncnc(C2CC2)c1-c1cc(-c2ccc3c(c2)OCCC3)ccc1CN1CCC2(CC1)OCCO2,IQXQRAWPGRUPCO-UHFFFAOYSA-N
rxn:5:193967:227875:228340,COc1nc(C2CC2)sc1-c1cc(-c2cccc3c2CCCO3)ccc1CN1CCC2(CC1)OCCO2,XVIUOBODAMZWOS-UHFFFAOYSA-N
rxn:5:193967:228063:228340,COc1nc(C2CC2)sc1-c1cc(-c2cnc3c(c2)COCC3)ccc1CN1CCC2(CC1)OCCO2,ATUFHGRVOSJESO-UHFFFAOYSA-N
rxn:5:193967:228066:227492,COc1ncnc(C2CC2)c1-c1cc(-c2ccc3c(c2)OCCO3)ccc1CN1CCC2(CC1)OCCO2,NGIKHCGYRLUIAU-UHFFFAOYSA-N
rxn:5:193967:228066:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccc3c(c2)OCCO3)ccc1CN1CCC2(CC1)OCCO2,DYUNHNWQTNJMKI-UHFFFAOYSA-N
rxn:5:193967:228292:228340,COc1nc(C2CC2)sc1-c1cc(-c2ccnc3c2OCCO3)ccc1CN1CCC2(CC1)OCCO2,LPTKXRQATSLMND-UHFFFAOYSA-N
rxn:5:193967:228335:227092,COc1ccnc(OC)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc(C3CCC3)nc2C)c1,NYRYPNQPJPSUEJ-UHFFFAOYSA-N
rxn:5:193968:223307:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)CCNC3)cc1CN1CCC2(CC1)OCCO2,RMJKZEIIAXGUNY-UHFFFAOYSA-N
rxn:5:193968:223340:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)NCCO3)cc1CN1CCC2(CC1)OCCO2,KTOMNZKPZGZFPI-UHFFFAOYSA-N
rxn:5:193968:223342:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)OCCN3)cc1CN1CCC2(CC1)OCCO2,IVBOAFQMMHFKBA-UHFFFAOYSA-N
rxn:5:193968:226182:228259,COc1cc(C)cc(-c2ccc(-c3cccnc3C3CCCCC3)cc2CN2CCC3(CC2)OCCO3)c1F,RBBGXXJFORSHJV-UHFFFAOYSA-N
rxn:5:193968:226318:228428,COc1cc(F)c(F)c(-c2ccc(-c3cc(C4CC4)nc(N(C)C)c3)cc2CN2CCC3(CC2)OCCO3)c1,AQFHLMPXAROGKD-UHFFFAOYSA-N
rxn:5:193968:226374:227544,COC(=O)c1ccc(F)cc1-c1ccc(-c2cncnc2C2CCCCC2)cc1CN1CCC2(CC1)OCCO2,PJYVPPRDNIRKPP-UHFFFAOYSA-N
rxn:5:193968:226450:225872,CC1(c2cccc(-c3ccc(-c4cc(F)c(F)c(N5CCCC5)c4)c(CN4CCC5(CC4)OCCO5)c3)c2)OCCO1,ODFNABKHBDIPSA-UHFFFAOYSA-N
rxn:5:193968:226971:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,ZGYLJRDKFSXOCS-UHFFFAOYSA-N
rxn:5:193968:226971:228866,COCc1noc(C)c1-c1ccc(-c2ccc3c(c2)CCCOC3)cc1CN1CCC2(CC1)OCCO2,OHGVKKDPBBHSRH-UHFFFAOYSA-N
rxn:5:193968:227203:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)OCCCO3)cc1CN1CCC2(CC1)OCCO2,CQJSJYOFVADYNM-UHFFFAOYSA-N
rxn:5:193968:227284:226966,N#Cc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CCC4)c(CN3CCC4(CC3)OCCO4)c2)c(C2CC2)cn1,NFSZFDKLHMJNOR-UHFFFAOYSA-N
rxn:5:193968:227863:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)CCCO3)cc1CN1CCC2(CC1)OCCO2,CGLNIAUDRXFIDJ-UHFFFAOYSA-N
rxn:5:193968:227868:227492,COc1ncnc(C2CC2)c1-c1ccc(-c2ccc3c(c2)OCCC3)cc1CN1CCC2(CC1)OCCO2,UYINSHFUGDCTOA-UHFFFAOYSA-N
rxn:5:193968:228063:228340,COc1nc(C2CC2)sc1-c1ccc(-c2cnc3c(c2)COCC3)cc1CN1CCC2(CC1)OCCO2,YGGHLRNRUXEWAA-UHFFFAOYSA-N
rxn:5:193968:228066:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccc3c(c2)OCCO3)cc1CN1CCC2(CC1)OCCO2,VYADZAFPLGMELI-UHFFFAOYSA-N
rxn:5:193968:228408:227403,COc1cc(F)c(-c2ccc(-c3ccc(N4CCCCC4)s3)c(CN3CCC4(CC3)OCCO4)c2)cc1F,GHZLLQPKKBLOTP-UHFFFAOYSA-N
rxn:5:193968:228755:223146,COc1cncc(-c2ccc(-c3cccc(C4CNCCO4)c3)c(CN3CCC4(CC3)OCCO4)c2)c1C,QWKNUDZFDCFWRG-UHFFFAOYSA-N
rxn:5:193968:229271:223007,COc1cc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)c(CN3CCC4(CC3)OCCO4)c2)sn1,FFMYFENDNJLIHU-UHFFFAOYSA-N
rxn:5:193972:227385:228502,Cc1cc(-c2cnc(C(C)(C)C)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1nn(C)cc1C(F)(F)F,ANHIANPJKOFYIH-UHFFFAOYSA-N
rxn:5:193972:228568:225810,COc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cccc(N(C)C)c3)cc2C)c(C2OCCO2)c1,HKZVKNDCBPSSAX-UHFFFAOYSA-N
rxn:5:193972:228572:225799,Cc1ccc(-c2cc(C)c(-c3cncc(OC4CCOCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1C#N,JISJXGNWRDUQKW-UHFFFAOYSA-N
rxn:5:193972:228705:226464,COc1ccc2c(c1-c1cc(S(=O)(=O)N3CCCCCC3)c(-c3cccnc3N(C)C)cc1C)OCCO2,NHRPEXNNGPWUER-UHFFFAOYSA-N
rxn:5:194397:225818:226901,O=C(c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(C(F)(F)F)cc1C1CC1)N1CC2CC2C1,FFCYHZUYJRVQOU-UHFFFAOYSA-N
rxn:5:194397:225935:227562,COc1ccc(F)c(-c2ccc(C(=O)N3CC4CC4C3)c(-c3cc(C(C)C)nc(C(F)(F)F)c3)c2)c1OC,LPFQINVQTGHUGS-UHFFFAOYSA-N
rxn:5:194399:226661:227075,COc1cc(-c2cc(C(=O)N3CC4CC4C3)ccc2-c2cc(N3CCN(C)CC3)cs2)cc(C(C)C)c1,YRMNTJUBVLIYRN-UHFFFAOYSA-N
rxn:5:194522:226901:225466,CC(C)CN1CCc2c1ccc(-c1cccc(S(F)(F)(F)(F)F)c1)c2-c1ccc(N2CCCCC2C)cc1,ZNRSWJOGYSFHNS-UHFFFAOYSA-N
rxn:5:194561:226900:227829,O=C(c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-c1ccccc1C1CCC1)N1C2CCC1COC2,ANBNKSNMTJCVCC-UHFFFAOYSA-N
rxn:5:194561:226900:228243,CC(=O)c1cccc(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2C(=O)N2C3CCC2COC3)c1F,SXSAXUILQLGCJG-UHFFFAOYSA-N
rxn:5:194688:223065:223065,COc1cc(-c2ccc(N3CCNCC3)cc2F)cc2c1OCC(=O)N(c1ccc(-c3ccc(N4CCNCC4)cc3F)cc1)C2,YHDYEOHMLUHCTA-UHFFFAOYSA-N
rxn:5:194688:223141:226794,COc1cc(-c2cnc(N3CCSCC3)nc2)cc2c1OCC(=O)N(c1ccc(-c3cncc(C4CCNCC4)c3)cc1)C2,AJACEVKYWPRZOO-UHFFFAOYSA-N
rxn:5:194733:225805:227196,CC(c1ccc(-c2ccc(-c3cc(F)c4cnccc4c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)s1)N1CCOCC1,QLEBCPVYIOYPKB-UHFFFAOYSA-N
rxn:5:194733:226900:228601,CC(=O)c1ccccc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,ATXXUWACFCFCLP-UHFFFAOYSA-N
rxn:5:194733:226901:229294,Cc1cc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)co1,NULTZGMPAQXILM-UHFFFAOYSA-N
rxn:5:194733:227419:225643,Cc1cc(-c2ccc(-c3ccc(C4CCC4)nc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc(-n2cnc(C)c2)c1,FQTBZPRKQGCNOY-UHFFFAOYSA-N
rxn:5:194733:227759:227910,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(F)c(OC)c3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cn1,SMKDKNWRHVHPPW-UHFFFAOYSA-N
rxn:5:194733:227865:226900,Cc1c(-c2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)sc2ccccc12,NEXFGVLAPQUGPJ-UHFFFAOYSA-N
rxn:5:194733:227897:227673,CC(F)(F)c1cccc(-c2ccc(-c3cccc(C=CC#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,FLCQMTOUKCXNSC-UHFFFAOYSA-N
rxn:5:194733:228509:227082,CC(C)c1ccc(-c2ccc(-c3ccccc3N3CCCC3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1,IMBDQBJUKGOXHG-UHFFFAOYSA-N
rxn:5:194733:228513:227659,Cc1c(-c2ccc(-c3ccccc3C3CC3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cccc1C(F)(F)F,RSAFMVUEBMXGOP-UHFFFAOYSA-N
rxn:5:194767:223140:227437,O=C1OC2(CCCN(C(=O)c3cc(-c4ccnc(C5CCCNC5)c4)ccc3-c3ccnc(C4CCCO4)c3)C2)c2ccccc21,ARTZZCHJHHJHKK-UHFFFAOYSA-N
rxn:5:194767:226644:225834,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3cc(N4CCCCC4)ncc3F)C2)c2ccccc21,PXJFQVWSDJXDMU-UHFFFAOYSA-N
rxn:5:194767:227376:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCC5)c4)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,KYNMWFUIRFNRHM-UHFFFAOYSA-N
rxn:5:194791:228665:225602,N#CC1(c2ccc(F)c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6ccc7ncoc7c6)C(=O)C45)cc3)c2)CCC1,QMLLIYGWLLMYJP-UHFFFAOYSA-N
rxn:5:196198:226159:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2cccc(N3CCCCC3)c2)c1,ONARHDHODNDBLN-UHFFFAOYSA-N
rxn:5:196408:222987:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2C)c1,CRXUZYYHEPKDOM-UHFFFAOYSA-N
rxn:5:196408:222987:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2C)c1,NPUFNLXNAXMJEW-UHFFFAOYSA-N
rxn:5:196408:225925:225833,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C1=NOCCO1,KGXXHRRBVJDGGI-UHFFFAOYSA-N
rxn:5:196533:225452:225671,O=C1CC(c2cc(C3CCCCC3)ncc2F)C(=O)N1c1ccc(-c2ccc(OC3C=CCCC3)cc2)cc1,CHKHDVDUHOKUHD-UHFFFAOYSA-N
rxn:5:196533:226042:226900,O=C1CC(c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1,TYTBZQKGIRETOW-UHFFFAOYSA-N
rxn:5:196623:222994:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cccc(N3CCC(O)CC3)c2)cc(N2CCCC2=O)c1,WODWPBRXWVJRRN-UHFFFAOYSA-N
rxn:5:196789:223062:225784,O=C1COCCN1c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)nc1,FJFDJYOROFQCBZ-UHFFFAOYSA-N
rxn:5:196789:223065:223065,O=C1COCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F,RHVWNAQFZUZOEI-UHFFFAOYSA-N
rxn:5:196789:225601:227768,CN(C)S(=O)(=O)n1cccc1-c1cc(-c2ccc(C3(C#N)CCC3)cc2F)ccc1N1CCOCC1=O,MLMVJRNUKZTASX-UHFFFAOYSA-N
rxn:5:196789:225833:223065,O=C1COCCN1c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(N2CCNCC2)cc1F,SOIXVDBBTGPCFA-UHFFFAOYSA-N
rxn:5:196789:225976:226794,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCSCC2)nc1,VJIMNSWFPCGLNQ-UHFFFAOYSA-N
rxn:5:196789:226588:225784,O=C1COCCN1c1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1ccc(CN2CCOCC2)nc1,PBUYCPHHBAMHKT-UHFFFAOYSA-N
rxn:5:196791:225794:227612,O=C1COCCN1c1cccc(-c2cnc(OC3CCCCC3)nc2)c1-c1cnn(C2CCCCO2)c1,LABJBQBVQQKEOE-UHFFFAOYSA-N
rxn:5:196791:225982:225976,O=C1COCCN1c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,IVFNWTWORMSKCE-UHFFFAOYSA-N
rxn:5:196791:226395:225833,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1ccnc(N2CCCCC2)c1F,LUWKYRBHPXDKDP-UHFFFAOYSA-N
rxn:5:196794:223064:225980,O=C1COCCN1c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cc(N2CCOCC2)ncc1F,ZPLLUKHBYFUKHK-UHFFFAOYSA-N
rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
rxn:5:196794:225982:225849,O=C1COCCN1c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cnc(N2CCCCC2)cc1F,BOBWTAHTHAPDSP-UHFFFAOYSA-N
rxn:5:196916:225616:225873,O=C(c1ccccc1-c1cc(-c2cccc(N3CCOCC3=O)c2)ccc1N1CCCCC1=O)N1CCCC1,ALHLNJVIOYTMCF-UHFFFAOYSA-N
rxn:5:196916:226395:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(N2CCCCC2=O)c(-c2cncc(N3CCCCC3)c2)c1,JDMAYBQUHIGDHZ-UHFFFAOYSA-N
rxn:5:196916:226835:226469,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1N1CCCCC1=O,BFTLVTKYGTWPPR-UHFFFAOYSA-N
rxn:5:196916:227103:225450,O=C(c1ccc(-c2ccc(N3CCCCC3=O)c(-c3sccc3C3CCCCC3)c2)cc1)C1CCCC1,QQCXJWKBUWKHBX-UHFFFAOYSA-N
rxn:5:196918:226838:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1c(-c2cnc(C#N)c(C(F)(F)F)c2)cccc1N1CCCCC1=O,XVSOZFAJWCJMHB-UHFFFAOYSA-N
rxn:5:196923:225584:226740,N#Cc1c(-c2cc(N3CCCCC3=O)ccc2-c2ccc(C(=O)N3CCCC3)cc2)cccc1C(F)(F)F,OSBHCZRTGJEIHJ-UHFFFAOYSA-N
rxn:5:196923:226740:222992,N#Cc1c(-c2ccc(N3CCCCC3=O)cc2-c2ccc(N3CCCCC3O)cc2)cccc1C(F)(F)F,OLGGHQIARUSGSV-UHFFFAOYSA-N
rxn:5:197526:226464:226052,COc1ccc2c(c1-c1ccc3c(c1-c1c(F)ccc(OC(F)(F)F)c1F)C(=O)CN3C(C)=O)OCCO2,IXNPJRXZJYMNDY-UHFFFAOYSA-N
rxn:5:197876:228021:225636,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccnc(N4CCC(C)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BUTNIERQVNHTHC-UHFFFAOYSA-N
rxn:5:197876:228499:226686,Cc1cnn(C2CCCCO2)c1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C)S(=O)(=O)N(C(C)(C)C)C2=O,DWUCKLMWHYGRID-UHFFFAOYSA-N
rxn:5:197876:229232:225832,CCc1ncsc1-c1cc2c(cc1-c1c(C)nn(C3CCCCO3)c1C)C(=O)N(C(C)(C)C)S2(=O)=O,CPDQQXBOMWYNOM-UHFFFAOYSA-N
rxn:5:199279:225811:225584,CN1CCc2c(cc(-c3ccc(C(=O)N4CCCC4)cc3)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)C1=O,SKBAPMWLLFBDQD-UHFFFAOYSA-N
rxn:5:199280:226426:225601,CC1CCN(c2ccc(-c3ccc4c(c3-c3ccc(C5(C#N)CCC5)cc3F)CCC(=O)N4C)s2)CC1,PPFMHFJPCVQGJO-UHFFFAOYSA-N
rxn:5:225881:180022:225672,COc1c(-c2cc(F)nc(C3CCCCC3)c2)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,JSWHGYULVHYGGX-UHFFFAOYSA-N
rxn:5:227390:180022:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)ccc(-c2ccnn2C2CCCCC2)c1C1OCCO1,ATUASKCMPDOVAF-UHFFFAOYSA-N
rxn:5:227556:190131:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cc(OC)c(F)c(OC)c2)c1OC,IZPIXCJHWPIWMU-UHFFFAOYSA-N
rxn:4:173296:223712,CCOC(=O)CCOc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1F,AFDIJSHUGKDUOO-UHFFFAOYSA-N
rxn:4:173340:223999,CCOC(=O)CC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc(C(F)(F)F)c1,RLUMTFVYLOZHCH-UHFFFAOYSA-N
rxn:4:173392:223901,CCCCOc1ccc(C(=O)OC)cc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,UCMFIFOPYPKCQY-UHFFFAOYSA-N
rxn:4:173508:225262,COc1cc(-c2ccc(C(=O)N(C)OC)cc2OC)ccc1OCCOC1CCCCO1,VKYXCCPDMGDFKJ-UHFFFAOYSA-N
rxn:4:173865:223505,COCCOc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BYKUYGQWCSNYKV-UHFFFAOYSA-N
rxn:4:174076:222522,COC(=O)c1cc(F)c(OCC2CC2)c(-c2ccc(OC)c(S(=O)(=O)N3CCC(O)CC3)c2)c1,VUXJQUXQIFQUJL-UHFFFAOYSA-N
rxn:4:174103:224059,COC(=O)c1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc(OC)c(OC)c1OC,BVNUUGQPBZMVRS-UHFFFAOYSA-N
rxn:4:174149:223498,CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,HOJSHOQTFWEGKE-UHFFFAOYSA-N
rxn:4:174231:223497,COc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1COC(=O)c1ccc(F)cc1,SGOHXTAAZZDEGB-UHFFFAOYSA-N
rxn:4:174257:223952,COC(=O)c1ccc(OCC2CCCO2)c(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c1,PODMEYYYJVDCLU-UHFFFAOYSA-N
rxn:4:174316:222465,COc1ccc(OCC(=O)C(C)(C)C)cc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NFBPGSDGLUGSDU-UHFFFAOYSA-N
rxn:4:174367:223832,COC(=O)c1ccccc1CS(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1,YEXKNJIOOMBNGY-UHFFFAOYSA-N
rxn:4:174372:224481,COC(=O)c1cc(-c2ccc(OCCCN3CCCC3)cc2)ccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1,TVKQWHICJMJQTN-UHFFFAOYSA-N
rxn:4:174406:224965,COC(=O)C1(c2ccc(-c3cccc(OCC4CCOCC4)c3)cc2)CC(OC)(OC)C1,SUHJQZPZXOCOLO-UHFFFAOYSA-N
rxn:4:174406:225053,COC(=O)C1(c2ccc(-c3ccc(N4CCCCC4C)cc3F)cc2)CC(OC)(OC)C1,GRBITGLXXCDMMU-UHFFFAOYSA-N
rxn:4:174406:225202,COC(=O)C1(c2ccc(-c3cc(C4CCC4)cc(C(F)(F)F)c3)cc2)CC(OC)(OC)C1,DASJPAKKEUOQBT-UHFFFAOYSA-N
rxn:4:174407:223584,COC(=O)C1(c2cccc(-c3ccc(S(=O)(=O)N(C)Cc4ccc(OC)cc4)cc3)c2)CC(OC)(OC)C1,XAOLIIHKSZEEEN-UHFFFAOYSA-N
rxn:4:174407:224733,COC(=O)C1(c2cccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)c2)CC(OC)(OC)C1,UTJJXQNDVMYCAP-UHFFFAOYSA-N
rxn:4:174407:224950,COC(=O)C1(c2cccc(-c3ccc(OC)cc3CN3CCCC3)c2)CC(OC)(OC)C1,RADZUQYYXKKMFN-UHFFFAOYSA-N
rxn:4:174407:224966,COC(=O)C1(c2cccc(-c3ccc(OCC4CCOCC4)cc3)c2)CC(OC)(OC)C1,REDQPFBTOLRABY-UHFFFAOYSA-N
rxn:4:174407:225009,COC(=O)C1(c2cccc(-c3cc(C)cnc3OC3CCCCC3)c2)CC(OC)(OC)C1,MKXWGHRAMIBJRS-UHFFFAOYSA-N
rxn:4:174407:225201,COC(=O)C1(c2cccc(-c3ccc(OC4CCCC4)c(F)c3F)c2)CC(OC)(OC)C1,AOUGJPBYNLKZNK-UHFFFAOYSA-N
rxn:4:174468:222546,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,WDKFPPDRVOBCKV-UHFFFAOYSA-N
rxn:4:174483:222634,COc1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1CO[Si](C)(C)C(C)(C)C,LLLCUZRIIGRHMQ-UHFFFAOYSA-N
rxn:4:174539:222673,COC(=O)C12CC(COc3ccc(-c4cc(C(=O)NC5CCCCC5)ccc4Cl)cc3)(C1)C2,AQVYLLLBFYUEFM-UHFFFAOYSA-N
rxn:4:174581:223527,COC(=O)c1c(C)oc2ccc(OCc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12,SUYIDORXOMLBAG-UHFFFAOYSA-N
rxn:4:174663:223089,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1,OJMNVZQCUYKNOV-HHMMATJQSA-N
rxn:4:174663:223267,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1F,QNQKSQJSRRXSNV-YWDCHRJXSA-N
rxn:4:174663:223377,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1,BCEKWVBNUIXZMB-QQXXBIGFSA-N
rxn:4:174663:223415,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)cc1,FTYIKBBHWWHPGG-QQXXBIGFSA-N
rxn:4:174663:224658,CC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)OCC(=O)[C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)cc3)cc2)CC1,INZOKQNYUBZIKF-QNEAORKJSA-N
rxn:4:174663:226657,Cc1cc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)ccc1-c1ncon1,HCTMWBWWCLEZMN-AMNGXLNPSA-N
rxn:4:174663:226748,COc1cc(C(F)(F)F)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,WDFZYUIBFQESCL-MWUKLDBESA-N
rxn:4:174663:227526,COC(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1Cl,UJNUJFUSWLZWPJ-YWDCHRJXSA-N
rxn:4:174663:227817,CC(C)Cc1ccccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,FGVUXNHXKJDBKN-OTLVMJKUSA-N
rxn:4:174663:227863,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCO3)cc1,FUIULSDQAUUSEV-AMNGXLNPSA-N
rxn:4:174663:228079,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cccc3c2COC3=O)cc1,AEVMRMFZCYAQIH-PDMVVSJHSA-N
rxn:4:174663:228252,COc1ccc(C)c(F)c1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,QAYTYPMNBFLEQV-SJHGWESOSA-N
rxn:4:174663:228480,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2cc(F)ccc2[N+](=O)[O-])cc1,RFJQTXOHNXTHTF-VNSRODFNSA-N
rxn:4:174663:228518,CC#Cc1ccc(-c2ccc(S(=O)(=O)OCC(=O)[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2)cc1,IDHKRVWYARRLAP-LUTSASADSA-N
rxn:4:174663:228715,Cc1nc(C#N)ccc1-c1ccc(S(=O)(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1,CPNXAYASWFDKCH-XVDHNCDISA-N
rxn:4:174663:228894,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1,GBILIVYWKSPCRZ-IJSUORRQSA-N
rxn:4:174779:223597,COCCOc1ccc(F)c(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,RYDBXAWVXMVRCT-UHFFFAOYSA-N
rxn:4:174883:223659,CCOC(=O)Cc1cc(F)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,PYCQBGSGVSSOPH-UHFFFAOYSA-N
rxn:4:175427:223832,COC(=O)c1ccc(OC2CCC2)c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c1,KSTDOBYAGXOJSD-UHFFFAOYSA-N
rxn:4:175710:223998,COC(=O)c1ccc(OC(C)(C)C)c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c(F)c2)c1,NMNXBDLFTCUELP-UHFFFAOYSA-N
rxn:4:175772:224022,C[Si](C)(C)c1cccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OS(=O)(=O)C(F)(F)F,UTIQLPUPLZYYHM-UHFFFAOYSA-N
rxn:4:175827:223999,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,QJDYGJWZWVRULZ-UHFFFAOYSA-N
rxn:4:175965:223810,COC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)ccc1S(=O)(=O)c1ccc(C)cc1,KOQKBCRHJRVOOV-UHFFFAOYSA-N
rxn:4:175996:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CC4)c(SC4CCOCC4)c3)cc2)CC1,WUHNLKLFOPOUFI-HZCBDIJESA-N
rxn:4:176085:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)cc2)CC1,MFHOBXGHGRBBQI-UHFFFAOYSA-N
rxn:4:176119:223593,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc(-c2ccc(Cl)cc2F)c1,DJTVYYHEIPXBJB-UHFFFAOYSA-N
rxn:4:176127:223593,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WLPREXVJOHIFRO-UHFFFAOYSA-N
rxn:4:176130:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2(O[Si](C)(C)C(C)(C)C)CC2)o1,XCPIQMNCKCQPNY-UHFFFAOYSA-N
rxn:4:176158:222616,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cc2)CC1,OALKLSWNWZEJIF-RQNOJGIXSA-N
rxn:4:176215:223748,COCCOC1CCCOc2cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)ccc21,HZNPXAGMSKQTTG-UHFFFAOYSA-N
rxn:4:176215:223900,COCCOC1CCCOc2cc(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)ccc21,UORPEXSSDGYHCA-UHFFFAOYSA-N
rxn:4:176316:227869,CC1Cc2cc(-c3ccc(OCC(F)(F)F)c(C4C5CC6CC(C5)CC4C6)c3)ccc2O1,GOOSGQBMDBLSFZ-UHFFFAOYSA-N
rxn:4:177274:223592,CC(C)OCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cc1Cl,SOZKXIIMUCMDKI-UHFFFAOYSA-N
rxn:4:177607:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(F)c(OCc4ccccc4)c(Cl)c3)cc12,GRQCXVZNBIQRMX-UHFFFAOYSA-N
rxn:4:177798:223597,C[Si](C)(C)OCc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,NQSULNIVMRSLNI-UHFFFAOYSA-N
rxn:4:177990:222389,COc1cc(OC)c(C2OCCO2)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QISRZHZXNUUGBW-UHFFFAOYSA-N
rxn:4:178255:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)CC3CCOCC3)cc2)cc1,NBPIGGOGWAYOCW-UHFFFAOYSA-N
rxn:4:178293:223712,COC(=O)C1(c2ccccc2-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)CCC(=O)CC1,JKXFFMWGBHIZRK-UHFFFAOYSA-N
rxn:4:178303:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(C(=O)c2cccc(C3OCCO3)c2)c(F)c1,OIQTYORPCXTRMH-UHFFFAOYSA-N
rxn:4:178328:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)CC3CCCCC3)cc2)c1,RMNSXWSEXLIZIC-IBGZPJMESA-N
rxn:4:178384:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1,SHAKJBCMFUZRPD-UHFFFAOYSA-N
rxn:4:178384:225061,CC1CCN(c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(F)c2)CC1,OPRUWEVCRDFVHJ-UHFFFAOYSA-N
rxn:4:178474:222542,CCOC(=O)c1oc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c2c1CCCC2,DMNLCHCOPYRLQW-UHFFFAOYSA-N
rxn:4:178584:222540,COc1cc2c(cc1OC)C(c1ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc1)OC(C)C2,RVODXLUOOWWJKR-UHFFFAOYSA-N
rxn:4:178598:224089,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OCCN3CCC(C)CC3)cc2)c1,GQHBOGJEFZSULM-UHFFFAOYSA-N
rxn:4:178598:224187,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(OCCN3CCCCC3)cc2F)c1,AIGVPDVVRQPQNX-UHFFFAOYSA-N
rxn:4:178598:224648,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)c1,RHRAUTGBNNNYBL-UHFFFAOYSA-N
rxn:4:178598:225000,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1,KAGXOMASVYSIJF-UHFFFAOYSA-N
rxn:4:178598:225181,COc1cc2c(cc1OC)C1CCCCC1OC2c1cccc(-c2cccc(CN3CCOCC3)c2F)c1,LSGONWYDOUHLIH-UHFFFAOYSA-N
rxn:4:179492:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(C(F)(F)F)cc3C(C)(F)F)c2)CC1,KNOMULZVRJVEEE-UHFFFAOYSA-N
rxn:4:179688:223507,Cc1cc(OC2CC2)ccc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BDEDUZRXONSLFD-UHFFFAOYSA-N
rxn:4:179793:223598,COC1(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)COC1,NMUPVDKGRYWCJW-UHFFFAOYSA-N
rxn:4:179957:223522,CCC1(c2ccc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cc2)CC1,ZRPQKEOGIJKWCI-UHFFFAOYSA-N
rxn:4:180175:223506,CCC(C)(C)c1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,TUYSOBUDPQBQRS-UHFFFAOYSA-N
rxn:4:180175:223520,CCC(C)(C)c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,KLXVNAYUOTZCRY-UHFFFAOYSA-N
rxn:4:180284:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1SC1CCC(=O)C1C,AYMAHZYHSMTAJN-UHFFFAOYSA-N
rxn:4:180421:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC4CCCCC4)ccc3Cl)c(F)c2)CC1,SZTKBNUCLVODJK-RZFKFIIISA-N
rxn:4:180423:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC4CCCCC4)cc3F)c(F)c2)CC1,KIRIYBITENEHNI-RZFKFIIISA-N
rxn:4:180439:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CC4)cc(C4COCCO4)c3)cc2)CC1,OUTJCRZRWSDZAR-BTWCTINZSA-N
rxn:4:180488:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)c(C4CCCOC4)c3)cc2)CC1,FSOYVCBEMIAMBG-RSSXGHEXSA-N
rxn:4:180492:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2)CC1,HGNOZECSVVMAIO-RSSXGHEXSA-N
rxn:4:180493:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCCCO4)c(C4CC4)c3)cc2)CC1,FONXKQKNBFVFLS-SWZCCTPQSA-N
rxn:4:180497:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCCOC4)c(C4CC4)c3)cc2)CC1,DKGWAAZWYWDIHH-RSSXGHEXSA-N
rxn:4:180498:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCCOC4)cc3C3CC3)cc2)CC1,NHUVUQMGAZYVMK-RSSXGHEXSA-N
rxn:4:180499:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)cc3C3CCCOC3)cc2)CC1,NXLBCHZRNCIUIV-RSSXGHEXSA-N
rxn:4:180504:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CC4)c(C4CCCCO4)c3)cc2)CC1,KELXRMORKGTIFI-SWZCCTPQSA-N
rxn:4:180507:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C4OCCO4)c([Si](C)(C)C)c(F)c3F)c(F)c2)CC1,RBQBUANGUYQBPL-IYARVYRRSA-N
rxn:4:180528:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC4CCC5(CC4)OCCO5)cc3)cc2)CC1,TZXVMAUIGXLELH-RQNOJGIXSA-N
rxn:4:180765:223660,COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc1)C2=O,JHVURGZXODMOKR-UHFFFAOYSA-N
rxn:4:181726:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3CC(=O)CO3)cc2)CC1,BGEGSMZSXOYIMN-UHFFFAOYSA-N
rxn:4:182026:223598,Cc1ccc(F)c([Si](C)(C)C)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,HLWVORNGPCQZOY-UHFFFAOYSA-N
rxn:4:182083:222654,O=C(NC1CCCCC1)c1cc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)ccc1Cl,DDIHVSZXIYIVTE-QVSSQLJNSA-N
rxn:4:182104:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4=CCC5(CC4)OCCO5)cc3)cc2)CC1,CCWCXCPGGDMIOC-RQNOJGIXSA-N
rxn:4:182109:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4CCC5(CC4)OCCO5)cc3)cc2)CC1,BHUOSDLZOMVCDQ-RQNOJGIXSA-N
rxn:4:182228:224017,O=C1CCOc2c1cc(-c1ccc(N3CCCS3(=O)=O)cc1C(F)(F)F)cc2C(F)(F)F,PKEYTWJTTCPTKJ-UHFFFAOYSA-N
rxn:4:182354:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c2c1OC1(CCCC1)C2,AOZSXRNBFQJSBN-UHFFFAOYSA-N
rxn:4:183098:223659,Cc1cc2c(c(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c1)OCCC2=O,YAUFDTOBOXPHKC-UHFFFAOYSA-N
rxn:4:183234:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4c(c3)C3(CCOC3)CC4=O)cc12,BCESIWKUIKNJSQ-UHFFFAOYSA-N
rxn:4:183268:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c(F)c2)CC1,NUNRIIZCQWPUPH-YHBQERECSA-N
rxn:4:183271:222589,OC1CCN(CCOc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)cc2Cl)CC1,JEFFCHWSUZTVFY-UHFFFAOYSA-N
rxn:4:183271:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)c(F)c2)CC1,RGHGVPJPIGGUNS-SOAUALDESA-N
rxn:4:183272:227543,COC(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1F,JPHBYCZXOGXIGB-UHFFFAOYSA-N
rxn:4:183272:227824,c1cc(C2CCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,XMLFFVXOEAYPKT-UHFFFAOYSA-N
rxn:4:183273:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)ccc21,QVAXRUMCAYHMHE-UHFFFAOYSA-N
rxn:4:183273:228301,CCOC(=O)c1sccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,HCEMAQHNUQAMKG-UHFFFAOYSA-N
rxn:4:183274:223315,Cc1ccc2[nH]ncc2c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UPUIEOWXMHLVEB-UHFFFAOYSA-N
rxn:4:183641:224820,O=C(CCOc1cccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)ON1C(=O)CCC1=O,NAUBORMKDHDPQU-UHFFFAOYSA-N
rxn:4:183685:224817,CCN(CC)C(=O)CS(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1,JPWYBAIZRHRUIJ-UHFFFAOYSA-N
rxn:4:183723:223970,Cc1ccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1,IVUAXVTUGGSAIB-UHFFFAOYSA-N
rxn:4:183723:224286,FC(F)(F)Oc1ccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)c(OCCN2CCCC2)c1,BAMDOYOFDUQIGL-UHFFFAOYSA-N
rxn:4:183765:226003,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc([N+](=O)[O-])ccc2C(=O)OC)C1,LCXZBTOWAXTBRG-UHFFFAOYSA-N
rxn:4:183804:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCCC3)c2Cl)CC1,YWXJDBKDLNACOH-UHFFFAOYSA-N
rxn:4:183863:224587,COC(=O)CN1CCCC(COc2ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc2)C1,ZESVJDKFJNMJID-UHFFFAOYSA-N
rxn:4:183865:223951,COC(=O)CN1CCCC(COc2ccccc2-c2ccc(OCCN3CCN(C)CC3)c(F)c2)C1,KIGBIGJZOMBPGC-UHFFFAOYSA-N
rxn:4:183865:225598,COC(=O)CN1CCCC(COc2ccccc2-c2cccc(CN3CCSCC3)c2)C1,GLKFHWQUULWKCK-UHFFFAOYSA-N
rxn:4:183870:226715,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)cc2)C1,GPHMTUVQXIRKRJ-UHFFFAOYSA-N
rxn:4:183876:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(Cl)ccc3OCC3CN(C(=O)OC(C)(C)C)C3)c2)CC1,DAVTZZVPDPOZCP-UHFFFAOYSA-N
rxn:4:183877:223556,CC(C)(C)OC(=O)N1CC(COc2cccc(Cl)c2-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)C1,QNFWVLFSBKPDRD-UHFFFAOYSA-N
rxn:4:183877:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1c(Cl)cccc1OCC1CN(C(=O)OC(C)(C)C)C1,PTBSBRQXNYTOSV-UHFFFAOYSA-N
rxn:4:183878:223941,CC(C)(C)OC(=O)N1CC(COc2cc(Cl)cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c2)C1,RRGOQHLZGNMBFN-UHFFFAOYSA-N
rxn:4:183880:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2Cl)CC1,VCJQGVUTOIZYJJ-UHFFFAOYSA-N
rxn:4:183882:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)c(Cl)c1,NQTKYQUNWWMBNU-UHFFFAOYSA-N
rxn:4:183882:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,BUBJRYDWZGOEKA-UHFFFAOYSA-N
rxn:4:183964:224180,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccccc2OCCN2CCN(C)CC2)c1,FXBXTHPWZAQYRK-UHFFFAOYSA-N
rxn:4:184013:223773,COc1cccc2cc(-c3ccc(COC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n(C(=O)OC(C)(C)C)c12,JPOCDDWDMYYOGN-UHFFFAOYSA-N
rxn:4:184014:223670,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KHIMPSWYSKTZIV-UHFFFAOYSA-N
rxn:4:184023:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(Cl)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1,DAVSOTSBKVXSDW-UHFFFAOYSA-N
rxn:4:184024:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,GGIFAONTHYUAIY-UHFFFAOYSA-N
rxn:4:184024:223761,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c2)C1,CHNICDRKXWOWAD-UHFFFAOYSA-N
rxn:4:184025:223939,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)ccc2Cl)CC1,RGJPYDFUJCQZKW-UHFFFAOYSA-N
rxn:4:184026:222432,CC(C)(C)OC(=O)N1CCCC(COc2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)ccc2Cl)C1,WRDRIIMCPSCOPG-UHFFFAOYSA-N
rxn:4:184026:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(Cl)c(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,WTJUUTIHUUARFR-UHFFFAOYSA-N
rxn:4:184027:223649,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)CC1,ZIMAVXHOCRMOHE-UHFFFAOYSA-N
rxn:4:184030:223533,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)CC1,ZYGBBTOBKIESQK-UHFFFAOYSA-N
rxn:4:184030:223638,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1,YYQBIOMAADCJII-UHFFFAOYSA-N
rxn:4:184030:223659,CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KDGXKCRWBKTICM-UHFFFAOYSA-N
rxn:4:184095:222794,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3cnccn3)cc2)cc1,KSZDJDSHMLQTMI-XMMPIXPASA-N
rxn:4:184187:223104,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2S1(=O)=O,BEDVMTVCOJIWAG-UHFFFAOYSA-N
rxn:4:184187:223934,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)ccc2S1(=O)=O,FABGXKCIXJWSDE-UHFFFAOYSA-N
rxn:4:184195:223531,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc1,ISYAUEJQZANZOI-UHFFFAOYSA-N
rxn:4:184195:223823,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,WRRLUSAWBBWLLU-UHFFFAOYSA-N
rxn:4:184245:223045,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C(=O)NC(C)C)ccc2F)cc1)N(CCCOC(C)C)C3=O,ZIEFUPOMFRKSBJ-UHFFFAOYSA-N
rxn:4:184777:223480,COC(=O)c1nc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1OCc1ccccc1,IJRLPMUUESOHGZ-UHFFFAOYSA-N
rxn:4:184848:224684,CCOc1cc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,UCCUIPQEEFQYSZ-UHFFFAOYSA-N
rxn:4:184865:223985,COc1ccc(C(C#N)O[Si](C)(C)C)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,VQXUWSSBSZQNQI-UHFFFAOYSA-N
rxn:4:185025:223939,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2)C1,BBPGDUMCJHGBRT-UHFFFAOYSA-N
rxn:4:185027:223931,CC(C)(C)OC(=O)N1CC(Sc2cccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)c2)C1,OESFUXZQHRXDPA-UHFFFAOYSA-N
rxn:4:185111:224290,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,ZUYBXQQZJNPNTR-UHFFFAOYSA-N
rxn:4:185130:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)CC1,JNDZZCZFRAUPRP-UHFFFAOYSA-N
rxn:4:185145:222622,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)cc2)C1,PSYJNHAIUAXOLO-UHFFFAOYSA-N
rxn:4:185145:222891,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cc(OC)nc(C4CCNCC4)c3)cc2)C1,DTFJQIPDGCXCSS-UHFFFAOYSA-N
rxn:4:185145:223695,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)C1,YCIFUJQKGYRGFM-UHFFFAOYSA-N
rxn:4:185145:227768,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccn3S(=O)(=O)N(C)C)cc2)C1,DUFASMPIWISQQF-UHFFFAOYSA-N
rxn:4:185149:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1cccc(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1,JKAQOOUMSGQDJI-UHFFFAOYSA-N
rxn:4:185154:227197,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C)C3)cc1CN1CCCC(C(F)(F)F)C1,POSJMVQYDOZBOW-UHFFFAOYSA-N
rxn:4:185159:225546,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2c(OC)cccc2OCC(C)C)c1,OTCPBFNWUPYZBA-UHFFFAOYSA-N
rxn:4:185201:223938,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C,BNRAPLMIYKGRKU-UHFFFAOYSA-N
rxn:4:185201:224270,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cn(C(=O)OC(C)(C)C)c2ncccc12,ABNKXWCHKMMFRX-UHFFFAOYSA-N
rxn:4:185202:224268,COc1cc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)ccc1C1CN(C(=O)OC(C)(C)C)C1,HLURXASJLJSZLV-UHFFFAOYSA-N
rxn:4:185207:223104,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc2Cl)C1,IFLDUGBMKVYQLA-UHFFFAOYSA-N
rxn:4:185208:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)c(F)c1,NIHJOYAJBXQORW-UHFFFAOYSA-N
rxn:4:185258:224022,CC(C)CN(Cc1cccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C1CCCC1,BZHFNXVMJIOPJC-UHFFFAOYSA-N
rxn:4:185260:225876,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(Cl)ccc3N3CCOCC3)cc2)C1,JNKXDROSYPDVFR-UHFFFAOYSA-N
rxn:4:185307:224010,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,PKXSXOPEKYYBNT-UHFFFAOYSA-N
rxn:4:185309:226773,COC(=O)c1c(Cl)ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,RHHFUINGXJIELB-UHFFFAOYSA-N
rxn:4:185324:223650,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)cc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,KSRNOVBAMWFIHL-UHFFFAOYSA-N
rxn:4:185382:223885,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2C(F)(F)F)CC1,GPFGLRLFVWIXDF-UHFFFAOYSA-N
rxn:4:185383:226421,CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3N3CCCC3)cc(C(F)(F)F)c2)CC1,OANPGVHXOOHUIQ-UHFFFAOYSA-N
rxn:4:185386:224971,CN1CCN(Cc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)cc2)CC1,TVUMEOIRHJZGTR-UHFFFAOYSA-N
rxn:4:185406:226773,COC(=O)c1c(Cl)ccc(-c2cc(OC)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,ZPPZKLCZHRBLAG-UHFFFAOYSA-N
rxn:4:185407:224073,CC[Si](CC)(CC)c1cc2cccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)c2s1,QBBKSLGXFQOGGF-UHFFFAOYSA-N
rxn:4:185408:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c2)CC1,VPUBQWZXBBURKE-UHFFFAOYSA-N
rxn:4:185408:223774,COc1cccc2c1cc(-c1ccc(C3CC3)c(C3CCN(C(=O)OC(C)(C)C)C3)c1)n2C(=O)OC(C)(C)C,ZRYKLSSIJAXEAF-UHFFFAOYSA-N
rxn:4:185414:223532,Cc1cc(Cl)cc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,JZFUJJZTQOLPIA-UHFFFAOYSA-N
rxn:4:185420:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C4CC4)cc3C3CN(C(=O)OC(C)(C)C)CCO3)c2)C1,WAWZXVVCNQYXBI-UHFFFAOYSA-N
rxn:4:185422:224653,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(Cl)cc3OCC3CCCCO3)cc2C2CC2)C1,ZAAVRTOOWKJNCG-UHFFFAOYSA-N
rxn:4:185423:224269,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc(C3CC3)c2)C1,JKQURRFJCMCXCS-UHFFFAOYSA-N
rxn:4:185423:227661,Cc1cc(C(F)(F)F)ccc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,FSVJREVNSKZXIN-UHFFFAOYSA-N
rxn:4:185423:228374,Cc1cc([N+](=O)[O-])ccc1-c1cc(C2CC2)cc(C2CN(C(=O)OC(C)(C)C)CCO2)c1,RUTJZIGVNMYMCW-UHFFFAOYSA-N
rxn:4:185437:223313,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccc(C3(O)CC3)cc2)CC1,HKEBYOFJQWEKJQ-UHFFFAOYSA-N
rxn:4:185438:223057,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)cc2)CC1,VHHBAMBFFGWQPD-UHFFFAOYSA-N
rxn:4:185438:224820,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,KUHMFLVPDLBTMT-UHFFFAOYSA-N
rxn:4:185438:225296,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1,LSVWEQRSELOPDP-UHFFFAOYSA-N
rxn:4:185502:223813,C[Si](C)(C)CCOCn1ccc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c21,NJCKTQFNVJILBJ-UHFFFAOYSA-N
rxn:4:185503:223811,C[Si](C)(C)CCOCn1ccc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,JPKYQBCBXMREFW-UHFFFAOYSA-N
rxn:4:185503:223813,C[Si](C)(C)CCOCn1ccc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc21,SCQQQDFMNBXRGC-UHFFFAOYSA-N
rxn:4:185505:223812,C[Si](C)(C)CCOCn1ccc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc21,SBOVEHJYTKASFE-UHFFFAOYSA-N
rxn:4:185505:223813,C[Si](C)(C)CCOCn1ccc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc21,LJOHZPDRZWRXEB-UHFFFAOYSA-N
rxn:4:185545:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4cc(OC5CN(C(=O)OC(C)(C)C)C5)ccc4c3)cn2)CC1,MRPPQSYZMIYXNW-UHFFFAOYSA-N
rxn:4:185670:223695,CCOC(=O)C(F)(F)c1csc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,NIVWJIHLKXWJDT-UHFFFAOYSA-N
rxn:4:185958:223696,CCOC(=O)Cc1ccnc(Cl)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,KCHMXVGLWVVEJX-UHFFFAOYSA-N
rxn:4:186121:223696,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(OC)c1[N+](=O)[O-],QYTIPZIRNDHFFK-UHFFFAOYSA-N
rxn:4:186462:223993,Cc1cc(-c2ccc([N+](=O)[O-])c(OCC3CCC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,KSECYCZACCGYDY-UHFFFAOYSA-N
rxn:4:186660:224953,COc1cccc(-c2ccc(OCC3CCCCC3)nc2)c1C(=O)ON1C(=O)CCC1=O,QXAPYYYSJBIHJP-UHFFFAOYSA-N
rxn:4:186662:224880,COc1ccc(-c2ccccc2CN2CCCCCC2)cc1C(=O)ON1C(=O)CCC1=O,ZZMBZWXMCLSWAR-UHFFFAOYSA-N
rxn:4:186749:224008,COC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c2)SC1=S,USVFAXNFYAPOIU-UHFFFAOYSA-N
rxn:4:186892:222735,O=C(NC1CCCCC1)c1cccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC2)c1,NAMQCQXYHPQXFP-UHFFFAOYSA-N
rxn:4:187011:225828,CS(=O)(=O)O[C@H]1CCN(Cc2ccc(-c3cnc(N4CCCCCC4)nc3)cc2F)C1=O,LNQDOIDPOWETJC-FQEVSTJZSA-N
rxn:4:187081:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc([N+](=O)[O-])cc(F)c2OCC2CCCCC2)CC1,ZCTRRJUBPCIEHZ-UHFFFAOYSA-N
rxn:4:187111:224176,COc1ccc(CCN2CCOCC2)cc1-c1ccc(OCCSC2CCOCC2)cc1,AQTHSCUYGFJDCK-UHFFFAOYSA-N
rxn:4:187190:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1,XLTYVOITWFRZRO-UHFFFAOYSA-N
rxn:4:187200:224490,COC(=O)c1ccc(-c2ccccc2OCCN2CCCCC2)c(CN2CCCCC2)c1,CWHOAUSHLQOWRA-UHFFFAOYSA-N
rxn:4:187206:224356,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)c(Cl)c2)C1,AMFYSNSCTNTMSA-UHFFFAOYSA-N
rxn:4:187212:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1F,IPWHKWZYSJKWAU-UHFFFAOYSA-N
rxn:4:187283:223597,COCC1CCN(Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,FKYVFMBGARHCTR-UHFFFAOYSA-N
rxn:4:187283:223598,COCC1CCN(Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)CC1,PVEKYCPVWWEWSS-UHFFFAOYSA-N
rxn:4:187283:223811,COCC1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,IGYUKXAOEOTSMR-UHFFFAOYSA-N
rxn:4:187283:223813,COCC1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2)CC1,RJUNXHOHCHALOB-UHFFFAOYSA-N
rxn:4:187284:223597,COCC1CCN(Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,PYBRLBRCTRQCBF-UHFFFAOYSA-N
rxn:4:187284:223598,COCC1CCN(Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,UHOURMCWWLSREV-UHFFFAOYSA-N
rxn:4:187284:223811,COCC1CCN(Cc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,CAWMPGXIVANIQX-UHFFFAOYSA-N
rxn:4:187284:223813,COCC1CCN(Cc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,JOEHNYCEQDSPEJ-UHFFFAOYSA-N
rxn:4:187303:224589,COC1CCN(CCc2cc(F)ccc2-c2ccc(F)cc2CN2CCC(C)CC2)CC1,YCIUBJRWDPNPOY-UHFFFAOYSA-N
rxn:4:187327:226853,COc1ccc(Cl)c(-c2cccc([C@H]3COS(=O)(=O)N3C(=O)OC(C)(C)C)c2)c1[N+](=O)[O-],UEPLMBOYKFCRME-OAHLLOKOSA-N
rxn:4:187360:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN(C)C4CCOCC4)cc3OC)c(F)c2)CC1,ZAXKUEDROTUSBQ-AFARHQOCSA-N
rxn:4:187365:224650,CCOc1cc(OC2CCN(C)CC2)ccc1-c1cc(F)ccc1OCC1CCOCC1,DISRZKKAJQBCGG-UHFFFAOYSA-N
rxn:4:187374:222827,CC1CCN(C(=O)CS(=O)(=O)c2cccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)c2)CC1,TUVXONKMGUIPNG-UHFFFAOYSA-N
rxn:4:187405:223753,Cc1ccc(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2C)cc1OCCCN1CCN(C)CC1,PURWQIFXMJVDTF-UHFFFAOYSA-N
rxn:4:187483:225636,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(OC)c1,MBAGOOKESBGBEI-UHFFFAOYSA-N
rxn:4:187488:223498,CCOc1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,GZBFLCINZARYMH-UHFFFAOYSA-N
rxn:4:187492:225911,COC(=O)c1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)c(Cl)cc1OC,WITXMMPJOUDKKK-UHFFFAOYSA-N
rxn:4:187494:224271,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)cc2)C1,KFHUURXUPLRNLG-UHFFFAOYSA-N
rxn:4:187499:223840,COc1ccc(-c2cc(OC)c(C(=O)N3CCCC(C)C3)c(OC)c2)cc1S(=O)(=O)N1CCN(C)CC1,RGQKCVBCSJMRDD-UHFFFAOYSA-N
rxn:4:187500:223064,COc1cc(-c2ccc(C3CCNCC3)nc2F)cc(OC)c1C(=O)N1CCCCC1C,JHMAHINIDAFWLV-UHFFFAOYSA-N
rxn:4:187504:226124,COCc1ccc(C2CC2)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,ZUFBVVOUHNRLMZ-UHFFFAOYSA-N
rxn:4:187558:225294,CCN1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4=O)cc3)cn2)CC1,MYFXBKHOOZSPLP-UHFFFAOYSA-N
rxn:4:187573:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,YUJXASHXGMMZBX-UHFFFAOYSA-N
rxn:4:187575:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,OZXKQRKNGOZJBJ-UHFFFAOYSA-N
rxn:4:187577:225200,COC(=O)c1cc(-c2ccc(F)c(OC3CCCC3)c2F)cc(N(C)C2CCCCC2)c1C,FJSMAEIIMNDHHL-UHFFFAOYSA-N
rxn:4:187578:223581,COC(=O)c1cccc2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)c(C)c3)n(C(=O)OC(C)(C)C)c12,MPYWBFWJZJDCOH-UHFFFAOYSA-N
rxn:4:187578:223602,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)ccc1C1CCN(C(=O)OC(C)(C)C)C1,OALRZNYNHREVNO-UHFFFAOYSA-N
rxn:4:187579:223084,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cnc(N3CCC(O)CC3)nc2)c1,VXPADDXWTWEQJD-UHFFFAOYSA-N
rxn:4:187579:223581,COC(=O)c1cccc2cc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4C)co3)n(C(=O)OC(C)(C)C)c12,NOFJTDQOSOQDLY-UHFFFAOYSA-N
rxn:4:187582:223937,CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)c2)CC1,ICALQJBWQDFLSG-UHFFFAOYSA-N
rxn:4:187583:223578,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)ccc2Cl)CC1,COMYWVIYFLMWJA-UHFFFAOYSA-N
rxn:4:187584:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(Cl)cc3C3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1,UUXQVIJFTAKWGN-UHFFFAOYSA-N
rxn:4:187587:223777,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2Cl)CC1,HJNCYKIODMZAMB-UHFFFAOYSA-N
rxn:4:187589:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccc3F)cc2)CC1,GBQFUGRCDXUUCA-UHFFFAOYSA-N
rxn:4:187589:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,AHOWUGGLPHQCAD-UHFFFAOYSA-N
rxn:4:187592:223790,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)c2)CC1,QGLLBBZFPKARIU-UHFFFAOYSA-N
rxn:4:187592:225118,COC(=O)c1cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)ccc1OC(C)C,CCEHQXPHXBVLEC-UHFFFAOYSA-N
rxn:4:187595:223883,CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c2)CC1,PHZUTAOAUFMTFR-UHFFFAOYSA-N
rxn:4:187598:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1,AMSGJVQEGNWMDV-UHFFFAOYSA-N
rxn:4:187621:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(N(C)CC5CCCCC5)CC4)cc3)c(F)c2)CC1,UUGVBFMEPWMFFO-YOCNBXQISA-N
rxn:4:187621:224733,CN(CC1CCCCC1)C1(c2ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc2)CC1,YRBKZSMTRSGTMP-UHFFFAOYSA-N
rxn:4:187622:224634,COc1ccc(-c2cc(CN3CCC(C)CC3)ccc2OC(C)C)cc1CN1CCOCC1,ZNSLXUYIOJNZGC-UHFFFAOYSA-N
rxn:4:187655:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCCC4)cc(C(C)(C)C)c3)c(F)c2)CC1,CRLIBCNEVQNLAW-ALOJWSFFSA-N
rxn:4:187668:226502,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccn(C(=O)OC(C)(C)C)c2)cc1,VWWTZYRQBBNDCM-UHFFFAOYSA-N
rxn:4:187670:225947,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cnc(N3CCN(C)CC3)nc2)c1,SSELPHBFNWJMKA-UHFFFAOYSA-N
rxn:4:187681:223577,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,QPKFXNQWBRBXIX-UHFFFAOYSA-N
rxn:4:187681:225519,CCOC(=O)CCc1ccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,QPVBABQHHOMQHE-UHFFFAOYSA-N
rxn:4:187863:224377,COC1c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2CN1C(=O)OC(C)(C)C,FHVWGQFDWCPJMZ-UHFFFAOYSA-N
rxn:4:187944:223010,OC1(c2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2)CCOCC1,HELXTQCIKXHRSG-UHFFFAOYSA-N
rxn:4:187944:224502,CN1CCCCC1COc1cccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,KRKIXJUQXHRPDO-UHFFFAOYSA-N
rxn:4:187944:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,UTUORJQRWFFOAA-UHFFFAOYSA-N
rxn:4:187944:225008,COC1CCN(c2ccc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2)CC1,LUMGDOGCAQCGND-UHFFFAOYSA-N
rxn:4:187944:225596,Clc1ccc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)cc1CN1CCCC1,JRMONNILJULYKH-UHFFFAOYSA-N
rxn:4:187944:226116,Cc1cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)ccc1OCC1CC1,IQVFKCRJOIYFOO-UHFFFAOYSA-N
rxn:4:187944:226295,CC(C)OCc1ccc(F)cc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,NJNUNLVYBZCEKH-UHFFFAOYSA-N
rxn:4:187944:226307,COCc1cc(C)cc(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1OC,FXVNCQAYLAJCOF-UHFFFAOYSA-N
rxn:4:187944:226644,c1cc2c(cc1-c1cncc(N3CCOCC3)c1)OCCCC2OCCN1CCOCC1,AZQVMORMPCNDLK-UHFFFAOYSA-N
rxn:4:187995:228218,CCc1cc(-c2cc(C3CC3)ncc2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,UFIKGUFLHAUPPX-UHFFFAOYSA-N
rxn:4:188049:223539,CCOC(=O)c1ncsc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,DXKZZQDKUWUTHF-UHFFFAOYSA-N
rxn:4:188627:223493,CCOc1cc([N+](=O)[O-])c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)cc1F,ABJCIUMLFKMFGP-UHFFFAOYSA-N
rxn:4:189207:224759,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ccc1Cl,GBZSVXKBBXVAGS-UHFFFAOYSA-N
rxn:4:189357:223785,CCN1CCN(CCOc2ccc(-c3cc(C)c(C(=O)OC)cc3S(N)(=O)=O)cc2Cl)CC1,WIRPDABTBGQHTQ-UHFFFAOYSA-N
rxn:4:189521:222465,COC1CCN(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)o2)C1,HNUYEDWWCHHQIQ-UHFFFAOYSA-N
rxn:4:189527:223575,COc1ccc(CN2CCC2)cc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,BOQDZRICLUPOIZ-UHFFFAOYSA-N
rxn:4:189774:223598,CN(Cc1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c1)C1CCC1,FLIOBZDNCFJOKP-UHFFFAOYSA-N
rxn:4:189791:223526,COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=N)(=O)C1CCC1,PDRACMXEPXACPQ-UHFFFAOYSA-N
rxn:4:189847:224490,CC(=O)N(c1ccc(-c2ccccc2OCCN2CCCCC2)cc1)C1C=CS(=O)(=O)C1,NVVNQHMPTRESNJ-UHFFFAOYSA-N
rxn:4:189898:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCC4)c(OC)c3)c(F)c2)CC1,FGJDWTPVZIVBBX-YHBQERECSA-N
rxn:4:189922:223540,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,QITAAXDCTOVLCG-UHFFFAOYSA-N
rxn:4:190015:222722,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(S(=O)(=O)N2CCC(O)CC2)c1,KNGLPZAKNIKJNU-UHFFFAOYSA-N
rxn:4:190042:223579,Cc1cccc(N(C)C(=O)c2cc(Cl)cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)c2)c1,QQKUNTMERPZEKU-UHFFFAOYSA-N
rxn:4:190204:224087,CN(Cc1ccc(-c2cccc(OCCN3CCCCCC3)c2)cc1F)C1CCOCC1,KOWLOJWQQDKTPM-UHFFFAOYSA-N
rxn:4:190205:224088,CN(Cc1ccc(F)cc1-c1ccc(OCCN2CCCCCC2)cc1)C1CCOCC1,MDIHCHKFOJGPDV-UHFFFAOYSA-N
rxn:4:190249:225294,CCN1CCN(c2ncc(-c3cccc(C=C4SC(=S)N(c5cccc(C(F)(F)F)c5)C4=O)c3)cn2)CC1,GCQJYVKGKQYEIA-UHFFFAOYSA-N
rxn:4:190378:222684,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1,ZNHXCNZGEYHDAB-UHFFFAOYSA-N
rxn:4:190378:224616,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccccc1OCCN1CCOCC1,IHSKWQARQNOKKB-UHFFFAOYSA-N
rxn:4:190443:222854,COc1ccc(C2CCCNC2)cc1-c1cc(S(=O)(=O)N2CCCCC2C)c(OC)cc1C,IWXKJRKVKDUVSV-UHFFFAOYSA-N
rxn:4:190499:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1c(C)cc(C)c(S(=O)(=O)N(C)C2CCCCC2)c1C,KFVUVFQDWINDCA-UHFFFAOYSA-N
rxn:4:190823:223480,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GRJNURGFPUOFKH-UHFFFAOYSA-N
rxn:4:190833:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)cnc2C1,MDVHYJFXPUHCAP-UHFFFAOYSA-N
rxn:4:190931:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)OC(C)(C)C)cc2Cl)CC1,YUIOEXBCSOPEPY-UHFFFAOYSA-N
rxn:4:190933:223635,CC1c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc2C(=O)N1C(=O)OC(C)(C)C,CRFHGMYYCCJSHW-UHFFFAOYSA-N
rxn:4:190933:224162,CC1c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)ccc2C(=O)N1C(=O)OC(C)(C)C,GJVBVVZKQNFPQI-UHFFFAOYSA-N
rxn:4:190948:223928,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2S1(=O)=O,VWBFVIVDDINHJB-UHFFFAOYSA-N
rxn:4:191043:224277,COC(=O)[C@H]1CC[C@H](N2Cc3cc(-c4ccnc5c4ccn5C(=O)OC(C)(C)C)ccc3C2=O)CC1,KEZIOZDDDKHBOJ-IRJFHVNHSA-N
rxn:4:191104:223938,CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(-c3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)cc12,GTLCEDZSEVLXLM-UHFFFAOYSA-N
rxn:4:191115:225876,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3cc(Cl)ccc3N3CCOCC3)ccc1O2,JRTPRTMSZBEVEX-UHFFFAOYSA-N
rxn:4:191117:222426,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c12,QZCCLDNVEKFXES-UHFFFAOYSA-N
rxn:4:191117:224273,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c12,GVKZHPLAYXYIBI-UHFFFAOYSA-N
rxn:4:191120:223929,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc1C2=O,RAHCIBRTHYZDJF-UHFFFAOYSA-N
rxn:4:191121:224278,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)c(F)c1C2=O,JAIOLXIPBLNDEL-UHFFFAOYSA-N
rxn:4:191127:223652,COc1ccc(Cl)c2cc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)n(C(=O)OC(C)(C)C)c12,ZRQIBAIOMKSBER-UHFFFAOYSA-N
rxn:4:193013:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(SC4CCOCC4)nc3)cc2F)CC1,QGFDSBQLXGXQLS-UHFFFAOYSA-N
rxn:4:193120:223594,Cc1ccc(C(=O)N2CC(F)(F)C2)cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PKVLFPWLGZKIIA-UHFFFAOYSA-N
rxn:4:193131:224492,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3ccc(CCC(=O)N4CCCC4)cc3)cc2)C=C1,PWRPNDBJIBUBDQ-UHFFFAOYSA-N
rxn:4:193345:223728,CCCCCC1CCC(c2ccc(-c3cc(F)cc(CN4CCOCC4)c3)c(F)c2)CC1,YCXNMQMXOOVQDS-UHFFFAOYSA-N
rxn:4:193382:223608,O=S(=O)(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl)N1CCOCC1,DCVZGZJEHNVUDW-UHFFFAOYSA-N
rxn:4:193457:222389,COc1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1CCCCO1,BZJGJOTVTBXGAB-UHFFFAOYSA-N
rxn:4:193457:222465,COc1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1C1CCCCO1,IBGSOKOZUQKXFN-UHFFFAOYSA-N
rxn:4:193562:223506,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZXBOFHYEXOACOS-UHFFFAOYSA-N
rxn:4:193662:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(OC4CCN(C)CC4)c3)c(F)c2)CC1,RSIAOTYQAUYQAC-YHBQERECSA-N
rxn:4:193664:223573,Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(CN2CCOCC2)c1,GJFJMSBLPASGGI-UHFFFAOYSA-N
rxn:4:193687:222719,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1,WNWDXQGSRRUMMS-UHFFFAOYSA-N
rxn:4:193742:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4CCOCC4)c(C4CC4)c3)cc2)CC1,ZPGCEIZORNQOOP-RQNOJGIXSA-N
rxn:4:193839:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1,CNCIPDRDTQHOAE-UHFFFAOYSA-N
rxn:4:193888:223999,Cc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1,WSGZCCQINKOLDM-UHFFFAOYSA-N
rxn:4:193908:223498,Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,QJULSZBCUGHSJG-UHFFFAOYSA-N
rxn:4:193964:223699,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,PUIOUJROGHYVND-UHFFFAOYSA-N
rxn:4:193973:222988,Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc(C2CCNCC2)n1,SZUYPZHBCOLWLY-UHFFFAOYSA-N
rxn:4:193974:222628,O=S(=O)(c1cccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OCCO2,QLHPMLCSVHYMKV-UHFFFAOYSA-N
rxn:4:193976:226836,CC(C)n1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)c(C(F)(F)F)n1,RHSBRHGIZAJPNV-UHFFFAOYSA-N
rxn:4:193983:222792,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1cc(NC(=O)OC(C)(C)C)ccc1F,JHUCTTMAGATWHF-UHFFFAOYSA-N
rxn:4:193990:224009,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(=C4CCC4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,QISMZFDEXFEJRZ-UHFFFAOYSA-N
rxn:4:194601:222465,O=c1oc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2cc1S(=O)(=O)N1CCCC1,DSMKOEAGKMOGPY-UHFFFAOYSA-N
rxn:4:194668:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)CN(CC3CCC3)CCO4)c(F)c2)CC1,JVBCPKPDZVCBJA-UHFFFAOYSA-N
rxn:4:194712:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc4c(c3)C(N3CCCC(C(F)(F)F)C3)CC4)ccc21,LYUABBAKNNEKCK-UHFFFAOYSA-N
rxn:4:194712:224272,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)cc2ccncc21,QYBNHYUWASFVBL-UHFFFAOYSA-N
rxn:4:194731:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C(N1CCC(OC)CC1)CC2,NKHQZGIOWQODNK-UHFFFAOYSA-N
rxn:4:194731:224655,COC1CCN(C2CCc3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4F)cc32)CC1,VUOKWWBFFDBHTM-UHFFFAOYSA-N
rxn:4:194736:223671,CC1CCCN(S(=O)(=O)c2cc3cc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3oc2=O)C1,ZLUUDDWVDZXZRA-UHFFFAOYSA-N
rxn:4:194737:223844,O=c1oc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2cc1S(=O)(=O)N1CCCCCC1,WCIYBBNKXVBRNH-UHFFFAOYSA-N
rxn:4:194737:224820,O=c1oc2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2cc1S(=O)(=O)N1CCCCCC1,RMJLPOIILDSZNV-UHFFFAOYSA-N
rxn:4:194741:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(F)ccc3N3Cc4cccc(OC)c4OC(C)C3=O)c2)CC1,LJKXZOKIJHXJPA-UHFFFAOYSA-N
rxn:4:194768:224650,COC1CCN(C2CCCc3cc(-c4cc(F)ccc4OCC4CCOCC4)ccc32)CC1,PPJXNRSZGVNDQK-UHFFFAOYSA-N
rxn:4:194768:224874,COC1CCN(C2CCCc3cc(-c4cccc(COC5CCCCC5)c4)ccc32)CC1,MVCQNLNLBRYRNT-UHFFFAOYSA-N
rxn:4:194853:224061,CCCC1CCC(c2ccc(-c3ccc4c(c3)c3c(n4CC4CCCCC4)CCCC3)c(F)c2)CC1,TVKDIQUCIDLVHS-UHFFFAOYSA-N
rxn:4:194853:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)c3c(n4CC4CCCCC4)CCCC3)cc2)CC1,AYUXSCGEIRUVBT-DUYHBEBVSA-N
rxn:4:195027:223482,CCc1scnc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CRUPVRJGMQASOT-UHFFFAOYSA-N
rxn:4:196012:223480,Cc1cc(-c2cnc(C3CCOC3)s2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PYVIBGIYUXNCIN-UHFFFAOYSA-N
rxn:4:196522:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncc(C4CCOC4)c3)cc2Cl)CC1,RWMNFCGZJWYDRO-UHFFFAOYSA-N
rxn:4:196873:223696,O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)cc2Cl)cc1)N1CCC2(CC1)OCCO2,MXYSIAYTGWRHQP-UHFFFAOYSA-N
rxn:4:196968:223823,CC1CCCCN1c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)o1,RYIWIXUVLMOTSW-UHFFFAOYSA-N
rxn:4:197929:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc2c(c1)C(N1CCOCC1)CC2,LCYMRNVLGFZWJZ-UHFFFAOYSA-N
rxn:4:197945:223755,CC1CCN(CCCOc2ccc(-c3cccc4c3CCCC4N3CCCC3)cc2F)CC1,XBVLNARJWFIHEC-UHFFFAOYSA-N
rxn:4:197971:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc4c3CCC4N3CCCCC3C)c(F)c2)CC1,WTRVMVOJSSAOOY-RZDYAYIMSA-N
rxn:4:197988:223728,CCCCCC1CCC(c2ccc(-c3cccc4c3CCCC4N3CCC(C)CC3)c(F)c2)CC1,MVVXQJZWKNAZGO-UHFFFAOYSA-N
rxn:4:197988:224482,CC1CCN(C2CCCc3c(-c4cccc(OCCCN5CCCC5)c4)cccc32)CC1,VDVFGNMNQJNAQB-UHFFFAOYSA-N
rxn:4:197991:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)CCCC4N3CCC(C)CC3)cc2)CC1,SKRNCFYOGYFABC-UHFFFAOYSA-N
rxn:4:197991:224482,CC1CCN(C2CCCc3cc(-c4cccc(OCCCN5CCCC5)c4)ccc32)CC1,DMHMVRCKDOVQGY-UHFFFAOYSA-N
rxn:4:199299:223522,CN1CCc2c(cccc2-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)C1,MNCAPMZVKUVHRR-UHFFFAOYSA-N
rxn:4:199334:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)N(C)CCC2(C)C,CWAMKMUFVXPBFV-UHFFFAOYSA-N
rxn:4:199438:224355,CCOC(=O)c1n[nH]c(C(=O)OCC)c1-c1ccc(N2CCC3(CC2)OCCO3)nc1,MNMHIXKSENILEW-UHFFFAOYSA-N
rxn:4:199577:226420,CN1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2-c2ccc(F)c(N3CCCC3)c2)CC1,RBVDYRQOFVJDJI-UHFFFAOYSA-N
rxn:4:199584:223823,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)co2)n1,LIIHWELFGJCWHQ-UHFFFAOYSA-N
rxn:4:199642:224247,CCN1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cc2Cl)CC1,GJSJDXFJGLTHEU-UHFFFAOYSA-N
rxn:4:199645:225898,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cnn(CCN3CCOCC3)c2)n1,ACNRSKXALDBILK-UHFFFAOYSA-N
rxn:4:199652:225877,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccc(Cl)cc3N3CCOCC3)c2)C1,YPRFCLNCRWPPNT-UHFFFAOYSA-N
rxn:4:199652:226046,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccnc(C(F)(F)C(F)(F)F)c3)c2)C1,USTOIBJQMDFENW-UHFFFAOYSA-N
rxn:4:199692:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(Cl)cn1,CYOYNHBPHDWQNW-UHFFFAOYSA-N
rxn:4:199709:223886,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)n2)CC1,AGBOIJZMRFYPDD-UHFFFAOYSA-N
rxn:4:199709:225592,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(F)ccc3CN3CCCC3)n2)CC1,IDAJMPWCDOPGFX-UHFFFAOYSA-N
rxn:4:199711:223941,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)nc2)C1,KWDSMIRKNFREGX-UHFFFAOYSA-N
rxn:4:199712:222538,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,VCIVVYYYKWUNMH-UHFFFAOYSA-N
rxn:4:199712:224752,CCCCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)cc1C,VXFWDNSOIGVPHB-UHFFFAOYSA-N
rxn:4:199714:223937,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc4cccc(Cl)c4n3C(=O)OC(C)(C)C)cn2)CC1,INKWDMCDWWOEAN-UHFFFAOYSA-N
rxn:4:199719:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1,UPVIUPKNHSIKQB-UHFFFAOYSA-N
rxn:4:199764:225232,COC(=O)c1cc(-c2cnc(Cl)c(N3CCC(C)CC3)c2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,DSIJLJTUAMNNSH-UHFFFAOYSA-N
rxn:4:199766:224372,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)CC1,SORGTAGBWUPPBJ-UHFFFAOYSA-N
rxn:4:199766:224486,CC(C)N(C(=O)c1cccc(-c2ccccc2CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)C,HYGLGDJUENKHLP-UHFFFAOYSA-N
rxn:4:199766:226661,CN1CCN(c2csc(-c3ccccc3CS(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,OAOCWMIZIXVGGY-UHFFFAOYSA-N
rxn:4:199769:223773,COc1cc(Cl)c(-c2cc3cccc(OC)c3n2C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HAHMQTUMDBHJSL-UHFFFAOYSA-N
rxn:4:199770:223595,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FDHXXXRAIOLQTG-UHFFFAOYSA-N
rxn:4:199770:225728,CCCCOc1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2C(=O)OC)c(F)c1F,CXCGSINRPZYIGN-UHFFFAOYSA-N
rxn:4:199770:226421,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1N1CCCC1,NBXSFYQIZRBGLH-UHFFFAOYSA-N
rxn:4:199770:228746,COC(=O)c1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C#N)c1Cl,ZUQOYHNTZSYXBW-UHFFFAOYSA-N
rxn:4:199778:223581,COC(=O)c1cccc2cc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n(C(=O)OC(C)(C)C)c12,FDEINBLCHDZOPZ-UHFFFAOYSA-N
rxn:4:199790:226267,COCCOc1ccc(C)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,WNXLUKIAOURAHJ-UHFFFAOYSA-N
rxn:4:199790:227403,COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(N2CCCCC2)s1,KUTUDHFCAPKMDV-UHFFFAOYSA-N
rxn:4:199809:222809,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)c1,QWALDNGSEKELLW-UHFFFAOYSA-N
rxn:4:199809:223776,CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,DLNFDSWBWYOHES-UHFFFAOYSA-N
rxn:4:199813:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(F)ccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1C,WCICNUULORPWDB-UHFFFAOYSA-N
rxn:4:199817:224374,CCCOc1ccc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,UZCFZJATDJAHEI-UHFFFAOYSA-N
rxn:4:199831:227544,COC(=O)c1ccc(F)cc1-c1ccc(F)c(CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1,VAHBOHRBOXKWTR-QGZVFWFLSA-N
rxn:4:199834:224588,CC1CCN(Cc2cc(F)cc(-c3cc(CCN4CCN(C(=O)OC(C)(C)C)C(C)C4)ccc3F)c2)CC1,NAWUBKJNITVENA-UHFFFAOYSA-N
rxn:4:199835:226893,CC1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(F)c(-c2cc(Cl)c(C(F)(F)F)cc2F)c1,UPNWYVYGMVPFNJ-UHFFFAOYSA-N
rxn:4:199839:223530,COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,SZHVXSMRBHZIDF-HSZRJFAPSA-N
rxn:4:199840:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C2CCCN2C(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1,IBMJQTILUDXRQY-UHFFFAOYSA-N
rxn:4:199840:226539,CCOC(=O)c1ccc(Cl)cc1-c1ccc(C2CCCN2C(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1,YBLWFRFEYQIZRB-UHFFFAOYSA-N
rxn:4:199846:224128,CCOc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,UTFUUQNYFNSADT-UHFFFAOYSA-N
rxn:4:199846:225979,CCOc1ccc(-c2cnc(N3CCOCC3)c(Cl)c2)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1,LCQXEVIBZQSONX-UHFFFAOYSA-N
rxn:4:199847:222631,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(OC)c2)CC1,ONWQIUKNTLAXDP-UHFFFAOYSA-N
rxn:4:199867:224423,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)c(C2OCCO2)c1,QBGBOXNOOYQZBU-FBSWEULCSA-N
rxn:4:199869:224811,CCCOc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,VPWPZDOCLIYYCE-UHFFFAOYSA-N
rxn:4:199870:226326,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(C2(C#N)CC2)c1F,XSQWBKZAXCDTIX-UHFFFAOYSA-N
rxn:4:199874:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CCCN4C(=O)C4CCCN(C(=O)OC(C)(C)C)C4)cc3)ccc2F)CC1,BNJOOPPIMOYKOQ-UHFFFAOYSA-N
rxn:4:199883:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)C4CCN(C5(C)CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3)s2)CC1,JZEVVABBUMQBFK-UHFFFAOYSA-N
rxn:4:200232:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1nc(Cl)cn1COCC[Si](C)(C)C,ALKQNDHKLOPHSP-UHFFFAOYSA-N
rxn:4:200340:225278,COC(=O)c1ccc(C(=O)OC)c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(F)(F)CC2)c1,AXTPDVGRIFKHHE-UHFFFAOYSA-N
rxn:4:200353:223695,CCOC(=O)c1cnn(CC2CCCCC2)c1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,DKBBDPKUNBZFAE-UHFFFAOYSA-N
rxn:4:200368:225665,CC(C)(C)OC(=O)N1CC(c2ccc(C#N)c(-c3ccc(Cl)cc3N3CCCCC3)c2)C1,ZQXHAWUTGOSVQT-UHFFFAOYSA-N
rxn:4:200369:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cc(C#N)ccc1C1CN(C(=O)OC(C)(C)C)C1,BVUFGBCNLBXOAL-UHFFFAOYSA-N
rxn:4:200372:228295,CCOC(=O)n1ccc(-c2ccccc2CCC(=O)N2CC(N3C(=O)CSC3=O)C2)c1,SHMKGFBOOMGUPH-UHFFFAOYSA-N
rxn:4:200386:226155,CC(=O)c1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc(C2CC2)c1,VLNIBGOUHYNXJE-UHFFFAOYSA-N
rxn:4:200386:227103,O=C(Cc1ccc(-c2sccc2C2CCCCC2)cc1)N1CC(CN2C(=O)COC2=O)C1,JSRLEDOZDNSYDQ-UHFFFAOYSA-N
rxn:4:200386:227691,COc1cc(-c2ccc(CC(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)ccc1[N+](=O)[O-],IHNIHWLGDYNTIR-UHFFFAOYSA-N
rxn:4:200436:222466,CCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,WTQFPABTNUBUCW-UHFFFAOYSA-N
rxn:4:200477:226896,COCn1cc(-c2cnc(OC)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C(F)(F)F)n1,BFGSSEPDPZJONT-UHFFFAOYSA-N
rxn:4:200494:222621,CC(C)Cc1cc(-c2ccc(C(=O)N3CCCC(COc4ccncc4)C3)o2)cc(C2CCCNC2)n1,UNSARNAGXHXAHH-UHFFFAOYSA-N
rxn:4:200539:223811,COc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccncc2-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)C1,YLSJUTXRAVBPGJ-UHFFFAOYSA-N
rxn:4:200555:223636,CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)n2)C1,JPMOIILCCDMYKP-UHFFFAOYSA-N
rxn:4:200559:226021,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(Cl)ccc3OCC(F)(F)F)co2)CC1,VCUOFCUSQCKIKE-UHFFFAOYSA-N
rxn:4:200559:226421,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(Cl)cc3N3CCCC3)co2)CC1,OFSRSSMERPUYNT-UHFFFAOYSA-N
rxn:4:200560:223886,CC(C)(C)OC(=O)N1CCN(Cc2occc2-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1,SDNHJIUBWYVJEF-UHFFFAOYSA-N
rxn:4:200567:223199,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CCNC4)c3)c(C)c2)CC1,FDHLYDFWABKTRZ-UHFFFAOYSA-N
rxn:4:200567:224156,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c(C)c2)CC1,APOQACPXFBKJNB-UHFFFAOYSA-N
rxn:4:200595:223492,Cc1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WDMWPVRBMALVAN-UHFFFAOYSA-N
rxn:4:200595:223532,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,GMMZAIOUFNTSAS-UHFFFAOYSA-N
rxn:4:200602:224157,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cn2)CC1,LEPWJLKTEINZEA-UHFFFAOYSA-N
rxn:4:200602:226502,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccn(C(=O)OC(C)(C)C)c3)cn2)CC1,NDVYTAMDVQUGRY-UHFFFAOYSA-N
rxn:4:200606:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,URSNRAFQRHXRAQ-SOAUALDESA-N
rxn:4:200607:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccnc1OC1CCN(C(=O)OC(C)(C)C)CC1,JCWSIXVDWQOATF-UHFFFAOYSA-N
rxn:4:200608:223506,COc1ncc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,WGFKPJVFRMIWFN-UHFFFAOYSA-N
rxn:4:200608:223904,COc1ncc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C1CCN(C(=O)OC(C)(C)C)C1,MHBFHXRANQVXPI-UHFFFAOYSA-N
rxn:4:200610:224290,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2F)CC1,NIWBFOCDATUZQR-UHFFFAOYSA-N
rxn:4:200650:224653,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2-c2ccc(Cl)cc2OCC2CCCCO2)CC1,WCQXAXMBSPRMKT-UHFFFAOYSA-N
rxn:4:200651:223536,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,FATIZJWGHWCZIH-UHFFFAOYSA-N
rxn:4:200655:224268,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc2C#N)CC1,GUFIRXVEMYEPMU-UHFFFAOYSA-N
rxn:4:200656:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)c1,PFCLDFPFICSGOT-UHFFFAOYSA-N
rxn:4:200658:227549,COC(=O)c1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,NCFCEIRAZOMFIL-UHFFFAOYSA-N
rxn:4:200695:223932,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)cc2)CC1,RWURBLXCXWGYIU-UHFFFAOYSA-N
rxn:4:200698:226245,CCCCOc1ccc(-c2ccc(CN3CCN(C(C)C)CC3)c(C(=O)OC)c2)cc1F,UPKIDJJAXRHUIK-UHFFFAOYSA-N
rxn:4:200700:224157,CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)c2)CC1,ZMKKLQVSPSPOCT-UHFFFAOYSA-N
rxn:4:200707:223933,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)cc2F)CC1,AMSXOILLVKRDDE-UHFFFAOYSA-N
rxn:4:200708:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,BXLRWTLXDNTPPU-UHFFFAOYSA-N
rxn:4:200709:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,NCUCGTZPJYUMQQ-UHFFFAOYSA-N
rxn:4:200711:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cccc(F)c1CN1CCN(C(=O)OC(C)(C)C)CC1,ZODAFYKVJCAXKO-UHFFFAOYSA-N
rxn:4:200724:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WBUZFWZOQZWZSE-UHFFFAOYSA-N
rxn:4:200730:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)c2)CC1,BOFJJKYBTQCHDK-UHFFFAOYSA-N
rxn:4:200730:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)cn2)CC1,LFZOUEYRAMLUOL-UHFFFAOYSA-N
rxn:4:200733:227916,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OC4CC4)cc3)cc2C(F)(F)F)CC1,ZZPKNIAGOIVRKE-UHFFFAOYSA-N
rxn:4:200734:224042,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(CN4CCc5ccccc54)cc3)c(F)c2)CC1,HZPXKYCXGJOVMY-UHFFFAOYSA-N
rxn:4:200740:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)cc3F)c2)CC1,LSZQATLTLHTHRM-UHFFFAOYSA-N
rxn:4:200744:222803,COc1ccc(C)cc1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccc(C3CCNC3)c(C(F)(F)F)c2)C1,WFYRABIWQKGXJY-UHFFFAOYSA-N
rxn:4:200760:226897,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OCC(F)(F)F)nc1,GEBYSLBCXWEMPY-UHFFFAOYSA-N
rxn:4:200774:225749,COc1ccc(C(=O)N(C)C)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3OC)C2)cc1,QGFFTYQLNXDELY-UHFFFAOYSA-N
rxn:4:200776:222846,CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCCNC4)ccc3C#N)CC2)cc1,XGFYPKQKOXJRDH-UHFFFAOYSA-N
rxn:4:200781:222790,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc(Cl)cc(NC(=O)OC(C)(C)C)c2)c1,QZXFOFUKPHJBQX-UHFFFAOYSA-N
rxn:4:200781:226715,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cnn(C(=O)OC(C)(C)C)c2)c1,FRNGCRNPWBCKAJ-UHFFFAOYSA-N
rxn:4:200783:223175,CCS(=O)(=O)Nc1cccc(-c2ccc(C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,WEYOUDNIIQLNTP-UHFFFAOYSA-N
rxn:4:200799:223362,C/C(=N\O)c1ccc(-c2ccccc2CCC(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,LBTXYTCTOSPXEK-OVVQPSECSA-N
rxn:4:200799:228071,O=C(CCc1ccccc1-c1cccc2c1OCCO2)N1CCC(N2C(=O)COCC2=O)CC1,MFKUNLURHJPKBE-UHFFFAOYSA-N
rxn:4:200813:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,GVTZHMYMUBAPBD-UHFFFAOYSA-N
rxn:4:200813:223530,CC(c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,NDHCNJSNEBLEPT-UHFFFAOYSA-N
rxn:4:200817:223528,CC(c1ccccc1-c1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,VIQDUKWTFXMWAM-UHFFFAOYSA-N
rxn:4:200818:228935,CC(=O)c1cc(Cl)sc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl,AGRIDPYGLLCYSG-AWEZNQCLSA-N
rxn:4:200822:223170,CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3cnc(C4CCCNC4)nc3)c2)CC1,ASKJCFMFVQFIKT-UHFFFAOYSA-N
rxn:4:200824:224270,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GGPUECQVLQARBP-UHFFFAOYSA-N
rxn:4:200825:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c2)CC1,SWYAGOQNJGQCTG-UHFFFAOYSA-N
rxn:4:200826:224728,COc1cc(-c2cc(C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)OC(C)(C)C)cn1,WOYCXHGRNYRYIB-UHFFFAOYSA-N
rxn:4:200828:224290,CC1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(-c2ccc(Cl)cc2OCCN2CCOCC2)c(F)cc1F,GFTYLLZAULIYCN-UHFFFAOYSA-N
rxn:4:200831:222856,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCNCC4)ccc3OC)CC2)cc1C,ZBVARGUQINIHCW-UHFFFAOYSA-N
rxn:4:200832:222854,COc1ccc(C2CCCNC2)cc1-c1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC,JNVCMBNHFFLKEZ-UHFFFAOYSA-N
rxn:4:200839:225394,COc1c(-c2cc(C3CCC3)cc(C3CC3)c2)cccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,VJZWBFAZUCRYIR-UHFFFAOYSA-N
rxn:4:200857:224414,Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1,CSIIZOYBIQDQPZ-MRXNPFEDSA-N
rxn:4:200866:223264,CNC(=O)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)ccc1F,MFHJSNPEQXNQIW-UHFFFAOYSA-N
rxn:4:200871:226290,Cc1cc(-c2cccc(C(=O)OC(C)C)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YBSSLMUSZWBOQB-UHFFFAOYSA-N
rxn:4:200871:228010,Cc1cc(-c2cc(Cl)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MXGSEMDCVVGYAH-UHFFFAOYSA-N
rxn:4:200871:228090,CCOCc1cncc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,OIVCUEHYPUICQR-UHFFFAOYSA-N
rxn:4:200880:224424,CCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,RZUSLBRLBRINDS-UHFFFAOYSA-N
rxn:4:200882:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cccc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2)CC1,WYYNQTIWOXJACV-UHFFFAOYSA-N
rxn:4:200884:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,JUYOIZAVGJSVPK-FBSWEULCSA-N
rxn:4:200887:223481,COc1ccccc1C1CC(c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)=NN1S(=O)(=O)c1ccc(C)cc1,PDDAXJSEPGLJQQ-UHFFFAOYSA-N
rxn:4:200895:227298,CN(C)Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCCC2CCN2CCCCCC2)cc1,AWRJSTUDTPXJBA-UHFFFAOYSA-N
rxn:4:201089:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3s2)CC1,PWESSHJSZSOPIZ-UHFFFAOYSA-N
rxn:4:201104:225432,CCOc1ccc(C2SCC3C(=O)N(c4ccc(-c5cccc(COC6CCCC6)c5)cc4)C(=S)N32)cc1OC,USRGDRMCUQMIQB-UHFFFAOYSA-N
rxn:4:201105:224634,COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN=C3Cc3cccc4ccccc34)c2)cc1CN1CCOCC1,WMXFBQCGCJTAFU-UHFFFAOYSA-N
rxn:4:201125:225810,COc1ccc(-c2ccc(CSc3nc(=O)n(CC4CCCO4)c4c3CCCC4)cc2)c(C2OCCO2)c1,CWRBOMNNMRUNQO-UHFFFAOYSA-N
rxn:4:201134:223638,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c3ccccc23)CC1,ISAOXNGXLLUWKT-UHFFFAOYSA-N
rxn:4:201150:224720,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cn(C(=O)OC(C)(C)C)nc4C4CC4)ccc3C2)CC1,UJBLXQSGMIGHHJ-UHFFFAOYSA-N
rxn:4:201151:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)CC1,KVBOUEIHWVQCQJ-UHFFFAOYSA-N
rxn:4:201151:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)CCN(CC3CCCN(C(=O)OC(C)(C)C)C3)C4)ccc2C1,YXUZARSSKFSANW-UHFFFAOYSA-N
rxn:4:201645:222787,CC(C)(C)OC(=O)Nc1ccc(-c2nc(C3CN(C(=O)OC(C)(C)C)C3)cs2)c(Cl)c1,SBQOKHQTAHDVAL-UHFFFAOYSA-N
rxn:4:201645:223761,CC(C)(C)OC(=O)N1CC(c2csc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)C1,ZIACGFSPNHDKOO-UHFFFAOYSA-N
rxn:4:201645:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)cs3)cc2C1,GABKBOAIHVYXIL-UHFFFAOYSA-N
rxn:4:201687:223970,Cc1ccc(-c2cnc(OCCC3CCCCC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,CWDXJQACNUWPIU-UHFFFAOYSA-N
rxn:4:201704:225155,O=C(c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)o2)cc1)N1CCOCC1,QXVZBXUGTZNILJ-UHFFFAOYSA-N
rxn:4:201704:225453,O=C(c1ccc(-c2cccc(SC3CCCCC3)c2)o1)N1CC(CN2C(=O)CCC2=O)C1,HLFBVPYZACQCRV-UHFFFAOYSA-N
rxn:4:201765:225450,O=C(c1ccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)cc1)C1CCCC1,JGBSKJPJCCJHTH-UHFFFAOYSA-N
rxn:4:201765:225583,O=C(c1cccc(-c2ccc(C(=O)N3CC(CN4C(=O)COC4=O)C3)cc2)c1)N1CCCC1,AOQVLLHPDDRBHX-UHFFFAOYSA-N
rxn:4:201783:223480,Cc1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MOCUKJWXIRCMQQ-UHFFFAOYSA-N
rxn:4:201794:222812,CN1CCN(C(=O)COc2ccc(Cl)cc2-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)CC1,IVJYLDCPEFUSJF-UHFFFAOYSA-N
rxn:4:201817:222612,COC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,ZKLGCOIARNFTGA-UHFFFAOYSA-N
rxn:4:201833:223809,CN1CCN(CCOc2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2F)CC1,KNLOREJGXBCIIY-UHFFFAOYSA-N
rxn:4:201837:224759,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)s2)C1,KTRPHBRIKRFPLW-UHFFFAOYSA-N
rxn:4:201837:226652,Cc1cc(-c2cnc(C3CN(C(=O)OC(C)(C)C)CCO3)s2)n(C2CCCCO2)n1,UCBGKBMZLBFBNS-UHFFFAOYSA-N
rxn:4:201845:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC(F)(F)F)cc2)CC1,NAMYXNCXIPEFDZ-AFARHQOCSA-N
rxn:4:201908:225159,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CC(CN4C(=O)CCC4=O)C3)cc2)c1)N1CCOCC1,CGRSVMDVEFXITH-UHFFFAOYSA-N
rxn:4:201936:225833,CN(C)CC1CSCCCN1C(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)o1,KEOWGDKZWRHRIP-UHFFFAOYSA-N
rxn:4:201946:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)nc3)ccc2F)CC1,PGHOVPRDXHYIAH-UHFFFAOYSA-N
rxn:4:201946:223818,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cn1,GSEOFWYGWZFNHJ-UHFFFAOYSA-N
rxn:4:201958:223883,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)c(F)n2)C1,JZWJHQRUXZBGSE-UHFFFAOYSA-N
rxn:4:201961:225898,CCN1CCN(c2cc(-c3cnn(CCN4CCOCC4)c3)c(C(=O)OC)cc2F)CC1,SLBYOSYNAGXXQK-UHFFFAOYSA-N
rxn:4:201961:225984,CCN1CCN(c2cc(-c3cnc(Cl)c(N4CCOCC4)c3)c(C(=O)OC)cc2F)CC1,POFCZMZBFDXKAM-UHFFFAOYSA-N
rxn:4:201962:223881,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2cc3ccc(C)cc3n2C(=O)OC(C)(C)C)c1,IFXXVVZTQRLIEP-UHFFFAOYSA-N
rxn:4:201994:223506,CC(C)(C)OC(=O)c1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc(N2CCOCC2)c1,KQLDCEASPDVITJ-UHFFFAOYSA-N
rxn:4:201994:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCOCC2)n1,GHAUEZNRBRJQLE-UHFFFAOYSA-N
rxn:4:201994:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCOCC2)n1,SNYNTCFYRHLZPG-UHFFFAOYSA-N
rxn:4:201997:225898,CC(C)(C)OC(=O)N1CCOC(c2cnccc2-c2cnn(CCN3CCOCC3)c2)C1,LKAORFNNKBCHBH-UHFFFAOYSA-N
rxn:4:201997:225984,CC(C)(C)OC(=O)N1CCOC(c2cnccc2-c2cnc(Cl)c(N3CCOCC3)c2)C1,CEEFNLNODLJOTP-UHFFFAOYSA-N
rxn:4:202001:222631,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,BPNYEUXFODBEBH-UHFFFAOYSA-N
rxn:4:202006:224633,CCOc1cc(-c2cc(CN3CCOCC3)ccc2OC)ccc1S(=O)(=O)N1CCN(C)CC1,NALCTXZOGGCHBD-UHFFFAOYSA-N
rxn:4:202008:222891,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(OC)nc(C2CCNCC2)c1,GIELJDBLWIWWTR-UHFFFAOYSA-N
rxn:4:202008:224321,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,QEWJRXMHUDAIPA-UHFFFAOYSA-N
rxn:4:202011:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,HZOHRSXPRSXTON-UHFFFAOYSA-N
rxn:4:202020:223775,COc1ccc2c(c1)c(-c1cnccc1C1CN(C(=O)OC(C)(C)C)CCO1)cn2C(=O)OC(C)(C)C,BTAFMPKUYXYBAZ-UHFFFAOYSA-N
rxn:4:202022:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(C2COCCN2C(=O)OC(C)(C)C)nc1,YINXMVVBUIHSMH-UHFFFAOYSA-N
rxn:4:202022:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(C2COCCN2C(=O)OC(C)(C)C)nc1,HKIMBXGBPWZVQI-UHFFFAOYSA-N
rxn:4:202073:225102,CCN(CC)C(=O)c1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1F,MPMIMOSGTYCZOH-UHFFFAOYSA-N
rxn:4:202073:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1=O,ZIWYWZJVTFOYDV-UHFFFAOYSA-N
rxn:4:202092:223753,Cc1ccc(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc1OCCCN1CCN(C)CC1,LPRSBLCHEFCPEC-UHFFFAOYSA-N
rxn:4:202095:224276,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cn(C(=O)OC(C)(C)C)c2cccnc12,NXIZMHOEYVEEBD-UHFFFAOYSA-N
rxn:4:202097:223556,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)n2)CC1,BXBSKUXKBGEMMK-UHFFFAOYSA-N
rxn:4:202101:222517,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2ccc(F)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)cs1,ZZTGVIUJRDESJA-UHFFFAOYSA-N
rxn:4:202101:224273,CC1CN(C(=O)OC(C)(C)C)CCC1c1nc(-c2cc3ncccc3n2C(=O)OC(C)(C)C)cs1,ZVUBBYITJDFMKF-UHFFFAOYSA-N
rxn:4:202103:223823,CC(C)(C)OC(=O)N1CCC(c2cnccc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,XVXDJOFNPSGGDQ-UHFFFAOYSA-N
rxn:4:202104:223525,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccn2)CC1,OQMATQAZVYYVPW-UHFFFAOYSA-N
rxn:4:202106:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ccn3)cc12,FHXRTAUMKQFCIU-UHFFFAOYSA-N
rxn:4:202106:226037,COc1c(C(F)(F)F)ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccn2)c1F,IHHUZRFZOKOPPL-UHFFFAOYSA-N
rxn:4:202110:225984,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)c(N3CCOCC3)c2)CC1,ZDFAPPMJYUGSOS-UHFFFAOYSA-N
rxn:4:202111:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2)CC1,GZDNCMUEPBANJF-UHFFFAOYSA-N
rxn:4:202111:224269,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(C(=O)OC(C)(C)C)c4cnccc34)cc2)CC1,KSRSHGRKWZKWLY-UHFFFAOYSA-N
rxn:4:202111:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BFMKXBBQNMQJBI-UHFFFAOYSA-N
rxn:4:202112:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1,BALFTPBFWQELHN-UHFFFAOYSA-N
rxn:4:202116:225561,CC(C)(C)OC(=O)c1ccccc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1,LVAZPCBXOPATOF-UHFFFAOYSA-N
rxn:4:202122:222913,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(CNS(=O)(=O)C2CC2)cc1,QVOAEUBBZQMSHR-UHFFFAOYSA-N
rxn:4:202122:225451,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(SC2CCCCC2)cc1,AHDFNRAGMZHMJP-UHFFFAOYSA-N
rxn:4:202126:225557,COC(=O)C1(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2)CC1,MISDKALECQNDAB-UHFFFAOYSA-N
rxn:4:202128:223533,CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2Cl)CC1,AYQUJBHQUQDLMS-UHFFFAOYSA-N
rxn:4:202161:222633,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)NCCN2CCCC2)cc1,MGVYELZDYMMCCS-UHFFFAOYSA-N
rxn:4:202161:224317,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)N2CCN(C)CC2)cc1F,QYUKLKBPWHDBJY-UHFFFAOYSA-N
rxn:4:202161:225228,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(N2CCN(C)CC2)cc1F,LOOJNSRWIRFNPJ-UHFFFAOYSA-N
rxn:4:202168:225987,O=C(C1CN(Cc2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2)CCO1)N1CCCC1,KEAWORTWTLFEAZ-UHFFFAOYSA-N
rxn:4:202175:222729,CCCc1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc(C2CCCNC2)n1,HBDSHMUTRKFZIY-UHFFFAOYSA-N
rxn:4:202175:225325,CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc([N+](=O)[O-])c1,MRJQIXGOZIJCMU-UHFFFAOYSA-N
rxn:4:202212:224597,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CC4)cc(N4CCOCC4)c3)C2)cc1C,USBFBYFOCXYZET-UHFFFAOYSA-N
rxn:4:202222:223562,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccnc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,CNBCHFIOZXYSGU-UHFFFAOYSA-N
rxn:4:202225:224276,CC1CN(C(=O)OC(C)(C)C)CCC1c1cccc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)n1,SLTLPCCMBXWCPY-UHFFFAOYSA-N
rxn:4:202226:222791,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)n1,FYSBAJVWCYCEOE-UHFFFAOYSA-N
rxn:4:202234:226655,Cc1c(-c2cc(Cl)cnc2N2CCCC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1,IYLIYQVTZMLMFZ-UHFFFAOYSA-N
rxn:4:202237:225286,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cn1,FGWGXZDIUWRODN-UHFFFAOYSA-N
rxn:4:202237:225517,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc(OCCCN(C)C)c2)cn1,GHGVUMGDZKDGNH-UHFFFAOYSA-N
rxn:4:202244:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)cc2)CC1,YUQYBXOBBNYLIY-UHFFFAOYSA-N
rxn:4:202267:224754,O=C(C1CN(Cc2cccc(-c3ccccc3S(=O)(=O)N3CCCCC3)c2)CCO1)N1CCCCC1,YESBFGVWYQAVGN-UHFFFAOYSA-N
rxn:4:202284:226354,COc1cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)c(Cl)c(C2CC2)c1,NUKFZUIDGWBSRC-UHFFFAOYSA-N
rxn:4:202295:222920,COc1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2C)ccc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1,NPPQDESCJWZWPJ-UHFFFAOYSA-N
rxn:4:202306:222975,CCN1CCN(Cc2cc(-c3ccc(C(=O)NC4CC4)cc3C)cc(C(C)(C)C)c2)CC1,ONELFRNLWHNHNE-UHFFFAOYSA-N
rxn:4:202309:225199,CN(Cc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1N1CCOCC1)C1CCOCC1,URAPTDYCBKWDFX-UHFFFAOYSA-N
rxn:4:202310:225138,O=S(=O)(c1ccc(-c2ccn(-c3ccnc(C4CC4)c3)n2)cc1)N1CCCSCC1CN1CCOCC1,JOCVZGBAFYQFSJ-UHFFFAOYSA-N
rxn:4:202311:228071,O=C(C1CCN(Cc2ccc(-c3cccc4c3OCCO4)cc2)CC1)N1CCC(F)(F)CC1,YTOUGJDGDMJELF-UHFFFAOYSA-N
rxn:4:202318:222701,Cc1ccc(S(=O)(=O)c2nc(-c3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)oc2N2CCOCC2)cc1,KFIQXABJCDTAFA-UHFFFAOYSA-N
rxn:4:202320:227166,CN1CCOc2cc(-c3cc(F)cc(N4CCN(O[Si](C)(C)C(C)(C)C)CC4)c3)ccc21,KWRIGNIIIHRYPD-UHFFFAOYSA-N
rxn:4:202327:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN(C)C2CCCCC2)c(N2CCOCC2)c1,HDFKVRBFLBRFNC-UHFFFAOYSA-N
rxn:4:202327:225827,CN1CCN(c2cc(-c3ccc(CN(C)C4CCCCC4)c(N4CCOCC4)c3)ccn2)CC1,NLERXBJPGROLKD-UHFFFAOYSA-N
rxn:4:202331:223055,COc1ccc(-c2ccc(N3CCNCC3)nc2C)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,QZIKXIYDYGPZJR-UHFFFAOYSA-N
rxn:4:202341:225054,CC(C)N1CCN(Cc2cc(-c3ccc(N4CCCCC4C)cc3Cl)cc(C(C)(C)C)c2)CC1,MVSICZKOCUKIDX-UHFFFAOYSA-N
rxn:4:202372:223606,COC(=O)CCn1ncc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)ccc21,ZAFUQCMMBAHUSQ-UHFFFAOYSA-N
rxn:4:202426:223606,CCOC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)n2c1CCCC2,RRBXCEPJDFCBMK-UHFFFAOYSA-N
rxn:4:202564:228225,CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccc(-c4cc(Cl)cnc4C4CC4)cc3C2=O)C1,CDHREAGEWSRRDN-UHFFFAOYSA-N
rxn:4:202564:228427,COc1ccc(-c2ccc3c(c2)C(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C3=O)c(F)c1Cl,WJCZFAIJOLMKAG-UHFFFAOYSA-N
rxn:4:202706:224397,O=C1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(Oc4cccc5cccnc45)CC3)cc2)CC1,LXWOLNJZFFHGDR-UHFFFAOYSA-N
rxn:4:202712:222608,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccc(S(=O)(=O)Nc5cccc(Cl)c5)cc4)ccc3C2=O)C1,ILICDPMFEOTXAA-VWLOTQADSA-N
rxn:4:202712:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C4=O)c(Cl)c2)CC1,WHOOADAFCMLNIZ-VWLOTQADSA-N
rxn:4:202713:224271,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cc5cccnc5n4C(=O)OC(C)(C)C)ccc3C2=O)CC1,ZFRIFGHTZXFMHR-UHFFFAOYSA-N
rxn:4:202714:223578,CC(C)(C)OC(=O)N1CCCC(c2cncc3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc23)C1,NTOZBYXIAYPFHD-UHFFFAOYSA-N
rxn:4:202726:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc2c(c1)CCN2C1CCN(C(=O)OC(C)(C)C)CC1,GVQFEYZLEOINHU-UHFFFAOYSA-N
rxn:4:202726:223648,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc32)CC1,RWSXSKPWEUQUIT-UHFFFAOYSA-N
rxn:4:202726:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CCN4C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,CPFPVZPNUSVMBT-UHFFFAOYSA-N
rxn:4:202755:223588,Cc1cc(-c2ccc3c(c2)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)CO3)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,CTFQWSOKEGZIPR-UHFFFAOYSA-N
rxn:4:202993:223541,CCOC(=O)c1n[nH]c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1C,KIFCFSBFJDMXNI-UHFFFAOYSA-N
rxn:4:203153:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cn(C(=O)OC(C)(C)C)cn3)ccc2F)CC1,IXNZNFLGWBHTCH-UHFFFAOYSA-N
rxn:4:203222:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)nc2)cc([N+](=O)[O-])c1,JXNPSIUDLTUTES-UHFFFAOYSA-N
rxn:4:203565:223699,COC(=O)c1cn(C2CCCCO2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,QRYKZEFCCJYKQH-UHFFFAOYSA-N
rxn:4:203638:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(S(=O)(=O)NN2CCOCC2)cc1,DEZOWLTUNFAMTK-UHFFFAOYSA-N
rxn:4:203651:224324,O=C1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])ccc2F)CC1,GHHGLSCJWHAHGO-UHFFFAOYSA-N
rxn:4:203684:222538,COc1c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cncc1S(=O)(=O)N1CCOCC1,YPUCEWAGHBADAC-UHFFFAOYSA-N
rxn:4:203709:226593,CC(C)Oc1ccc(F)c(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1F,QZYLDHVPABEPCD-UHFFFAOYSA-N
rxn:4:203757:223058,O=S(=O)(c1cncc(-c2cc(F)nc(C3CCCNC3)c2)c1)N1CCC(C(F)(F)F)CC1,UYUAPOWBWKLMCA-UHFFFAOYSA-N
rxn:4:203775:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cncc(S(=O)(=O)N2CCC(OC)CC2)c1,YCFGNQDZVUMVID-UHFFFAOYSA-N
rxn:4:203821:224817,CN1CCN(C(=O)Cc2cc(F)ccc2-c2ccccc2S(=O)(=O)N2CCOCC2)CC1,UVMSOAGSDMHHQX-UHFFFAOYSA-N
rxn:4:203881:224819,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1,UVDQLBGEFDQQLL-UHFFFAOYSA-N
rxn:4:203938:222622,CCC(C)c1cc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2)cc(C2CCCNC2)n1,WLSPMAHWHZNUOV-UHFFFAOYSA-N
rxn:4:203961:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(CC)c3)cc2)CC1,ZZLCPEIVOJIEHE-HCGLCNNCSA-N
rxn:4:203965:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)N2CCC(N(C)C)CC2)cc1Cl,YYRXTCLNVHHGTA-UHFFFAOYSA-N
rxn:4:203972:223057,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)c(C)c2)CC1,PSDYJUXAHDJPNH-UHFFFAOYSA-N
rxn:4:203985:226487,COC(=O)COc1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)COC3=O)CC2)c1,UTPVMGPYDHUVDX-UHFFFAOYSA-N
rxn:4:203985:226724,O=C(c1ccccc1-c1ccc(OCC(F)(F)F)cc1)N1CCC(N2C(=O)COC2=O)CC1,UVAXBCGRLLFCHQ-UHFFFAOYSA-N
rxn:4:203987:222419,NS(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,BDTJJSNUOYUCQB-UHFFFAOYSA-N
rxn:4:203987:223120,O=C(NC1CC1)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,UAKMGQVSXGYDIY-UHFFFAOYSA-N
rxn:4:203987:226040,Cc1c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-],FOBCZKMWWKYPFW-UHFFFAOYSA-N
rxn:4:203991:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,ONFFWZIZEXQZLP-UHFFFAOYSA-N
rxn:4:204008:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cc3F)cc2)CC1,YDTPCZFJUMCHBM-YOCNBXQISA-N
rxn:4:204011:224818,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2)CC1,YTIHIXJAXWFTQB-UHFFFAOYSA-N
rxn:4:204012:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,TUWCPQZQZAIWLU-UHFFFAOYSA-N
rxn:4:204012:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)CC1,UVZHPPONDHFXEC-UHFFFAOYSA-N
rxn:4:204026:224285,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(OCCN3CCOCC3)cc2F)CC1,ZQLXNNBFBNXAHY-UHFFFAOYSA-N
rxn:4:204028:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(S(C)(=O)=O)C[C@@H]4C)c3)cc2)CC1,FMTXWIOCMGHIGX-STNDURKZSA-N
rxn:4:204035:225802,CN(C)C1CCN(c2cc(-c3ccc(OC4CCCC4)nc3F)ccc2C(F)(F)F)CC1,YDMINIATWKWNHA-UHFFFAOYSA-N
rxn:4:204036:223094,CC(=O)Nc1cc(-c2cc(C(F)(F)F)ccc2N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-],NEOAXOIGHSTVAI-UHFFFAOYSA-N
rxn:4:204036:223897,Cc1ccc(-c2cc(C(F)(F)F)ccc2N2CCC(N(C)C)CC2)cc1OCCCN1CCOCC1,VUSOPJVXGUYUPJ-UHFFFAOYSA-N
rxn:4:204037:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(N2CCC(N(C)C)CC2)ccc1C(F)(F)F,RBFMILBLFZKYRJ-UHFFFAOYSA-N
rxn:4:204070:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(C(=O)N2CCC(N(C)C)CC2)ccc1C,RYSSDWABAOMTME-UHFFFAOYSA-N
rxn:4:204082:222448,O=C(NCc1ccccc1)c1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)cc([N+](=O)[O-])c1,SQIFRBFNPGLMAQ-UHFFFAOYSA-N
rxn:4:204082:225145,N#Cc1cc(-c2cccc(C(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)ccc1N1CCOCC1,NLZMWDOVGWEQAE-UHFFFAOYSA-N
rxn:4:204082:227501,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(N2C(=O)COCC2=O)CC1,RTOWWRXFQYTBER-UHFFFAOYSA-N
rxn:4:204082:228270,COc1cc(Cl)c(C)cc1-c1cccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,UJYGZFQTDABOQY-UHFFFAOYSA-N
rxn:4:204109:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)c2)C1,HCVKABFXIUJCDR-UHFFFAOYSA-N
rxn:4:204109:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,DXUOWIBEZIMRHA-UHFFFAOYSA-N
rxn:4:204109:227890,CCOCc1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,UTKXBWXSKZXTGG-UHFFFAOYSA-N
rxn:4:204109:228602,CC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,MWLGDSXEHIPQKJ-UHFFFAOYSA-N
rxn:4:204109:228798,CSc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F,ZEMNCOGPRGRJOG-UHFFFAOYSA-N
rxn:4:204113:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCCCC4)c(N4CCCC4)c3)c(F)c2)CC1,MNSUPHSNHUZRDO-UHFFFAOYSA-N
rxn:4:204122:223696,Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)nc2)cc1,CVGFOPKNSCCXIX-UHFFFAOYSA-N
rxn:4:204134:224817,O=S(=O)(c1ccccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1)N1CCOCC1,HWVNMVIUJBGHET-UHFFFAOYSA-N
rxn:4:204140:224853,CN1CCN(Cc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc(C(C)(C)C)c2)CC1,ABVYXAKFQWRKFG-UHFFFAOYSA-N
rxn:4:204153:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3C)c2)CC1,RZAZATKKJMITLF-UHFFFAOYSA-N
rxn:4:204153:224323,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)c(C)c3)CC2)cc1,REJKFJGBWXPWDY-UHFFFAOYSA-N
rxn:4:204166:225827,CC1CCCCN1Cc1ccc(-c2ccnc(N3CCN(C)CC3)c2)cc1N1CCOCC1,AXMAQKJCRNKJLC-UHFFFAOYSA-N
rxn:4:204180:225674,Cc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cnc(C5CCCCC5)cc4F)c(C)cc3C)CC2)c(C)c1,HCHNVHPAFJRDLJ-UHFFFAOYSA-N
rxn:4:204289:223598,CCOC(=O)n1ccc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c(Cl)nc21,FIMBJJVTKOAJNB-UHFFFAOYSA-N
rxn:4:204471:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cc(Cl)cc4c3cnn4C(=O)OC(C)(C)C)c2)CC1,FQDRLWFTMJFKMI-UHFFFAOYSA-N
rxn:4:204472:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cn(C(=O)OC(C)(C)C)c4cnc(Cl)cc34)c2)CC1,YVHGAEFJALAKHC-UHFFFAOYSA-N
rxn:4:204513:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(c3)CCN4C(=O)OC(C)(C)C)c(Cl)c2)CC1,FTSYHOASCOIQCC-UHFFFAOYSA-N
rxn:4:204556:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1,MLYKAMGJKNIBEX-UHFFFAOYSA-N
rxn:4:204603:223889,CC(C)(C)OC(=O)N1CCc2c(cncc2-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)C1,CPKHOJGDJDPMNL-UHFFFAOYSA-N
rxn:4:204606:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cc4c(nc3Cl)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,UNUJJSQLVYOSAX-UHFFFAOYSA-N
rxn:4:204606:223941,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)c(Cl)nc2C1,BEPAUCBBUYVJAV-UHFFFAOYSA-N
rxn:4:204644:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,USIFPLPXPUHBGY-UHFFFAOYSA-N
rxn:4:204654:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCc5cc(-c6ccncc6)ccc54)o3)c2)CC1,AYAPALMFSRXPEP-UHFFFAOYSA-N
rxn:4:204680:223934,CC(C)(C)OC(=O)N1CCc2ccc(-c3cc4ccc(F)cc4n3C(=O)OC(C)(C)C)nc2CC1,SORFWZCCAWTIIP-UHFFFAOYSA-N
rxn:4:204682:223492,Cc1cc2c(c(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)n1)CN(C(=O)OC(C)(C)C)CC2,YGYDTNADTDRHHD-UHFFFAOYSA-N
rxn:4:204720:222748,CCN1CCN(Cc2cc3c(c(-c4cccc(C(=O)NCC5CCCO5)c4)c2)OCC3)CC1,RCTRWADZFBEDIN-UHFFFAOYSA-N
rxn:4:204780:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,MJCAJYGZCDQZPB-UHFFFAOYSA-N
rxn:4:204780:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,COQHTMLKZUOESN-UHFFFAOYSA-N
rxn:4:204780:227095,O=C1CC(c2ccc(-c3ccc(S(=O)(=O)N4CC(N5CC6CCCC6C5)C4)cc3)cc2)C1,UXDLKJQBJKPVTA-UHFFFAOYSA-N
rxn:4:204800:223588,Cc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c3ccccc23)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FCJVGJNGWNEHIP-UHFFFAOYSA-N
rxn:4:204834:227680,O=C(C1=CN(c2cccc(-c3cccc4c3OC(F)(F)O4)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,JWWDXKCFOVMZHT-UHFFFAOYSA-N
rxn:4:204872:224719,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cn(C(=O)OC(C)(C)C)nc5C(C)C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,CIFIRDCXDZQJPG-UHFFFAOYSA-N
rxn:4:204943:223501,COc1cccc(C2c3c(oc4ccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,PIKGNGQAKZCCFT-UHFFFAOYSA-N
rxn:4:204955:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C3CC(c5ccc(OC)cc5)=NN3C(C3CCCCC3)O4)cc2)CC1,BPGJFSCTCFMPGK-FYXJLWOBSA-N
rxn:4:205103:222426,COC(=O)c1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cnn1,HDCWKOQDYLYLJZ-UHFFFAOYSA-N
rxn:4:205826:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(-c4nc(C(F)(F)F)c[nH]4)c3Cl)cc2Cl)CC1,MIHXBMVMUQSRNB-UHFFFAOYSA-N
rxn:4:205885:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ncc(C(=O)N3CCOCC3)s2)CC1,OEFJGPNMZANEMG-UHFFFAOYSA-N
rxn:4:206434:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(Cl)cc2C(=O)N2CCOCC2)CC1,KCCYTCWCFCFOTE-UHFFFAOYSA-N
rxn:4:206449:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)c(F)c2)CC1,ZERURIZSWYXTFA-UHFFFAOYSA-N
rxn:4:206544:223834,Cc1cc(-c2cnc(N3CCOCC3)cc2C(F)(F)F)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CVMBTJGKPNVUNR-UHFFFAOYSA-N
rxn:4:206712:223844,Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cnc1C(=O)N1CCOCC1,ZJBNMNULRAJSHW-UHFFFAOYSA-N
rxn:4:206943:225279,Cc1nc(C2CCN(S(C)(=O)=O)CC2)sc1-c1c(C)nn(C(=O)OC(C)(C)C)c1C,PYUJQYWTPAAKOJ-UHFFFAOYSA-N
rxn:4:207067:224376,CN1CCN(S(=O)(=O)c2cccc(-c3nc(C4CCOCC4)cc(C(C)(C)C)n3)c2)CC1,ILOJOOMFFJWJDF-UHFFFAOYSA-N
rxn:4:207315:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C(=O)OC)c4n3CCOC4)c(F)cc2C)CC1,WXURNDHFLOHNNS-UHFFFAOYSA-N
rxn:4:207796:223671,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3oc2=O)CC1,UPRSGHRVTKQLBP-UHFFFAOYSA-N
rxn:4:207796:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1,VEWVATWNKYNXOW-UHFFFAOYSA-N
rxn:4:207946:223128,COc1cc(-c2ccc(CNC3CC3)c(F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VXEVXNZVNAYDEB-UHFFFAOYSA-N
rxn:4:207946:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,UHIUBFINSXGOFA-UHFFFAOYSA-N
rxn:4:207946:224778,COc1cc(-c2c(F)cc(OC3CCOCC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,DYNACYRNLYTYFO-UHFFFAOYSA-N
rxn:4:207946:225346,COc1ccc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc1S(=O)(=O)N(C)C,OFNKUDNVMMTKQU-UHFFFAOYSA-N
rxn:4:207946:225883,COc1cc(-c2cnc(C3CCOCC3)c(Cl)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,VUUPKVIVHSWYSI-UHFFFAOYSA-N
rxn:4:207965:224552,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,VNTFKWUHZMIQRW-UHFFFAOYSA-N
rxn:4:209256:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cnc(N4C(=O)CCCC4=O)s3)cc2)CC1,HXVDGCURXDDMAZ-UHFFFAOYSA-N
rxn:4:209595:223695,CN1C(=O)C(=O)N(c2ccccc2-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)C1=O,LQCZDJFLHAQUAJ-UHFFFAOYSA-N
rxn:4:209842:223823,CC1CCN(c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,AGOMBVOWQIQQHP-UHFFFAOYSA-N
rxn:4:211089:225285,CC(C)Cc1ncc(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc1C(F)(F)F,JLBARRUBOHXAMZ-UHFFFAOYSA-N
rxn:4:211098:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(F)cc3)=NN1C1(CCCC1)O2,JNRLQNMDLCOUFV-UHFFFAOYSA-N
rxn:4:211099:225346,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCCC2)O3)cc1S(=O)(=O)N(C)C,GFVBILQAJXKUNW-UHFFFAOYSA-N
rxn:4:212234:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4c(c3)CN=S4(C)=O)c2)CC1,YIJILKDZVYKDFQ-UHFFFAOYSA-N
rxn:4:212491:222511,CN1CCN2CCc3ccc(-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)cc3C2C1,GBGSUFLCQROPKR-UHFFFAOYSA-N
rxn:4:212527:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)ccc21,HSBQXRYYIXUNAY-UHFFFAOYSA-N
rxn:4:212568:223251,N#CC(C#N)=C1C=CC=CN1C(=Cc1ccco1)C(=O)c1ccc(-c2ccc3c(c2)OCC(=O)N3)cc1,WUMCVQIUFFZERI-UHFFFAOYSA-N
rxn:4:212571:224356,Cn1cc(-c2cc3sc(Cl)cc3n2C(=O)OC(C)(C)C)c(OCC2CN(C(=O)OC(C)(C)C)C2)n1,NMICCBQYDCNSOA-UHFFFAOYSA-N
rxn:4:212571:226275,Cc1cc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)cnc1OCC(C)C,OCJAFGQNSPPVLE-UHFFFAOYSA-N
rxn:4:212593:222791,CN(C(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)nc1)C1CN(C(=O)OC(C)(C)C)C1,YKUSURBEPHKWJT-UHFFFAOYSA-N
rxn:4:212593:225233,CC1CCCN(c2cc(-c3ccc(C(=O)N(C)C4CN(C(=O)OC(C)(C)C)C4)cn3)cnc2Cl)C1,LWVUIPZCMFYSCF-UHFFFAOYSA-N
rxn:4:212636:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,JWDWRWDRTFVHEY-UHFFFAOYSA-N
rxn:4:212647:224268,CC(C)(C)OC(=O)N1CCCCC1CCc1cnc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cn1,HMUBHXQSYVEGFW-UHFFFAOYSA-N
rxn:4:212650:225984,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,LKPZVLQQRDWZNU-UHFFFAOYSA-N
rxn:4:212652:223525,COC(=O)c1cc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CAWGLOOVYMUJRP-UHFFFAOYSA-N
rxn:4:212652:229049,COC(=O)c1cc(-c2cnc3n2CCC3)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,KTNCNFKYYCTJAF-UHFFFAOYSA-N
rxn:4:212658:222791,COC(=O)c1ncc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,NTRXMMJJLPFMKD-UHFFFAOYSA-N
rxn:4:212669:225975,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3ccnc(N4CCOCC4)c3Cl)CC2)nc1,SXGNGXNQTLPSER-UHFFFAOYSA-N
rxn:4:212675:223937,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3cccc(Cl)c3n2C(=O)OC(C)(C)C)cc1[N+](=O)[O-],IIBPURJAZVJQFN-UHFFFAOYSA-N
rxn:4:212675:228470,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-],JZMLQNIIZMKTQZ-UHFFFAOYSA-N
rxn:4:212693:224368,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c2)c1,KTNKDTUPXHOEID-UHFFFAOYSA-N
rxn:4:212696:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cc2)CC1,JCJRCGFTJOMLLP-UHFFFAOYSA-N
rxn:4:212696:225554,CC(C)(C)Oc1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)cc1C#N,OAKDDYVYMBUKSM-UHFFFAOYSA-N
rxn:4:212710:225877,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4ccc(Cl)cc4N4CCOCC4)cc3)CC2)c1C,ZEFCVMDBKXJSCW-UHFFFAOYSA-N
rxn:4:212722:222988,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)nc(C4CCNCC4)c3)cc2)C(=O)N2CCN(C)CC2)cc1,IWRSMDXQARMNJZ-UHFFFAOYSA-N
rxn:4:212731:223671,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)C3)n2)c1,RNTGXEXZJRZCCH-UHFFFAOYSA-N
rxn:4:212738:225519,CCOC(=O)CCc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)cc1,PYHQDYGBUNJFPE-UHFFFAOYSA-N
rxn:4:212741:223595,CC1CN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,RYOXJAKKYDAJOU-UHFFFAOYSA-N
rxn:4:212744:225947,CN1CCN(c2ncc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,DTLSEPSOSDDWDB-UHFFFAOYSA-N
rxn:4:212747:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCOCC2)c1,LIXMUEKFUDEPBS-UHFFFAOYSA-N
rxn:4:212822:222538,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cc43)CC2)cc1,JERACHUHQOGXKM-UHFFFAOYSA-N
rxn:4:212822:222742,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C6CCNCC6)nc(C6CC6)c5)cc43)CC2)cc1,BJRQZYFJEZCZPI-UHFFFAOYSA-N
rxn:4:212822:225344,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5cc(C(F)(F)F)cnc5OC(C)C)cc43)CC2)cc1,AMWZOHOAXGMBQG-UHFFFAOYSA-N
rxn:4:212830:225876,CN(C(=O)c1cc2cc(-c3cc(Cl)ccc3N3CCOCC3)ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1,ZFJZTBKTLQEBMI-HSZRJFAPSA-N
rxn:4:212877:222466,COC(=O)c1nnn(-c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)c1C(=O)OC,WJHMAMXIJLQAFV-UHFFFAOYSA-N
rxn:4:212896:224336,O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1,JIZWBSFNHHYBHD-UHFFFAOYSA-N
rxn:4:212906:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cncc(OC4CN(C(=O)OC(C)(C)C)C4)n3)cc2)CC1,KHBMIVQOMPQLEN-UHFFFAOYSA-N
rxn:4:212923:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,WXSBWBDSPSLJBH-UHFFFAOYSA-N
rxn:4:212923:223581,COC(=O)c1cccc2cc(-c3ccc(C4(C#N)CN(C(=O)OC(C)(C)C)C4)nc3)n(C(=O)OC(C)(C)C)c12,RALGFYZJTZEOET-UHFFFAOYSA-N
rxn:4:212963:224277,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)n2)C1,ROOXJNZJSSHRBG-UHFFFAOYSA-N
rxn:4:212964:226502,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccn(C(=O)OC(C)(C)C)c3)cn2)C1,CVSKEANKLXTTKD-UHFFFAOYSA-N
rxn:4:212966:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2Cl)CC1,YOZNXOZWABWJMN-UHFFFAOYSA-N
rxn:4:212966:223888,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cn2)C1,LQYOEDBSQLZBSL-UHFFFAOYSA-N
rxn:4:212970:223668,Cc1nc(OC2CN(C(=O)OC(C)(C)C)C2)ncc1-c1ccc(OCc2ccccc2)cc1OC(F)(F)F,ACTOKLCBOJQDIZ-UHFFFAOYSA-N
rxn:4:213010:222787,CC(C)(C)OC(=O)Nc1ccc(-c2cnn(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)c(Cl)c1,LAKXUTQQIWLSFN-SFHVURJKSA-N
rxn:4:213011:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(F)c2)CC1,PGFHDWVHJNIVHA-ANRZFKABSA-N
rxn:4:213043:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)CC1,BHYZTOJUFPCPJP-UHFFFAOYSA-N
rxn:4:213070:223499,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,XYEKPQRJRSCWHP-UHFFFAOYSA-N
rxn:4:213070:226686,Cc1cnn(C2CCCCO2)c1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,XUMZBMLANYOXEW-UHFFFAOYSA-N
rxn:4:213077:225828,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CCCCCC4)nc3)c(C(F)F)n2)CC1,WIBCGCAOUVYVNW-UHFFFAOYSA-N
rxn:4:213078:225876,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(Cl)ccc3N3CCOCC3)c2C(F)F)CC1,VERWVPDMOLFTNL-UHFFFAOYSA-N
rxn:4:213078:226675,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(C4CCCC4)nc3Cl)c2C(F)F)CC1,NCJPQWLFNKNSSJ-UHFFFAOYSA-N
rxn:4:213079:223932,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4c(Cl)cccc4n3C(=O)OC(C)(C)C)nc2)CC1,FHPPNHYMJBDHQS-UHFFFAOYSA-N
rxn:4:213079:226096,CC(C)CCOc1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,XTJAQKVOOPZQOZ-UHFFFAOYSA-N
rxn:4:213093:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C#N)c2)CC1,SRLZZUPVBQYWKW-UHFFFAOYSA-N
rxn:4:213094:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(C#N)c3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,FPMABRLCVSSXBX-UHFFFAOYSA-N
rxn:4:213097:225758,CC(C)(C)OC(=O)c1cnccc1-c1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)nc1,GSAWVKKZJAFNAR-UHFFFAOYSA-N
rxn:4:213100:223573,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(C(F)(F)F)n2)CC1,ZFJDGOSRCHLZIE-UHFFFAOYSA-N
rxn:4:213100:223889,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)n2)CC1,WKSPGNHMKILUBD-UHFFFAOYSA-N
rxn:4:213128:223225,CCNC(=O)c1ccccc1-c1cn(C2CCCN(C(=O)OC(C)(C)C)C2)c(OC)n1,ORISKLRSYZBCAU-UHFFFAOYSA-N
rxn:4:213128:227042,CCOc1cc(C)c(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)c(C)c1,NSUJTZQJEXZGOG-UHFFFAOYSA-N
rxn:4:213129:225561,COc1nc(-c2ccccc2C(=O)OC(C)(C)C)cn1C1CCN(C(=O)OC(C)(C)C)CC1,IBLPGHUEDHBTHL-UHFFFAOYSA-N
rxn:4:213129:225794,COc1nc(-c2cnc(OC3CCCCC3)nc2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,ONWXTKBJPOELCN-UHFFFAOYSA-N
rxn:4:213135:222634,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,QSQKWGITABBELM-UHFFFAOYSA-N
rxn:4:213138:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cnc2F)CC1,XABUEGPCZQMNPM-UHFFFAOYSA-N
rxn:4:213141:223506,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,NKIHMTSKZZTTGF-UHFFFAOYSA-N
rxn:4:213144:228123,CCOc1cncc(C)c1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1,HOCBDUARTYFGNY-UHFFFAOYSA-N
rxn:4:213164:223945,O=C(C1CCCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,OVJRRKZIDKETLB-UHFFFAOYSA-N
rxn:4:213178:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)oc5C)C4)nc3)c(Cl)c2)CC1,QGSBDCUQGQPRJJ-UHFFFAOYSA-N
rxn:4:213202:222389,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)CC2)nn1,JQJWLEZPBLYDSX-UHFFFAOYSA-N
rxn:4:213202:222631,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)CC2)nn1,SEPWCGPZMHQCER-UHFFFAOYSA-N
rxn:4:213213:222792,CN(c1cccc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)n1)C1CCN(C(=O)OC(C)(C)C)CC1,GCKHIBRQZWULCA-UHFFFAOYSA-N
rxn:4:213213:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,JZRQBYPSVOHPJN-UHFFFAOYSA-N
rxn:4:213213:224290,CN(c1cccc(-c2ccc(Cl)cc2OCCN2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,POKUVDSFVQBKRF-UHFFFAOYSA-N
rxn:4:213217:223227,CCN1CCN(c2ncc(-c3ccc(C(C)NC4CC4)s3)cc2C(=O)OC(C)(C)C)CC1,CMAPXKAZNZCGLO-UHFFFAOYSA-N
rxn:4:213223:223507,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)N2CCC(Cn3ccnc3C)CC2)c1,VGLYHVVKQVLCGA-UHFFFAOYSA-N
rxn:4:213237:225799,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3cncc(OC4CCOCC4)c3)cc2)[nH]1,UUZVLOYDXZOGON-DEOSSOPVSA-N
rxn:4:213259:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc(C(F)(F)F)c2)CC1,RRSMFHQGFZDTJT-UHFFFAOYSA-N
rxn:4:213275:223658,COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)no3)CC2)cc1,RMOCIPDFHXWTMW-UHFFFAOYSA-N
rxn:4:213320:222722,COC(=O)c1nc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,TXKDVFGRWZRTOA-UHFFFAOYSA-N
rxn:4:213337:222546,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc3s2)CC1,WZPSUMJPZNNCSK-UHFFFAOYSA-N
rxn:4:213476:228282,CC(F)(F)c1ccccc1-c1cccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1,IBDYQRMTEPLFKP-PUWKHJQCSA-N
rxn:4:213476:229106,Cc1cnc(F)c(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)c1,XIXPZTGBYLNFSL-RIJBGBJPSA-N
rxn:4:213632:223775,COc1ccc2c(c1)c(-c1nccn1C1CN(C(=O)OC(C)(C)C)C1)cn2C(=O)OC(C)(C)C,DRZINXRDIQGULJ-UHFFFAOYSA-N
rxn:4:213672:223659,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,WTMBOPOVJOEXIQ-UHFFFAOYSA-N
rxn:4:213767:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)cc2)CC1,XKGWOQMJVGWTSC-UHFFFAOYSA-N
rxn:4:213782:222612,O=C(c1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)o1)N1CCN(Cc2ccncc2)CC1,ABWKHISIPPQOCT-UHFFFAOYSA-N
rxn:4:213798:224720,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cn2)C1,RCRDKCIKMHRBIM-UHFFFAOYSA-N
rxn:4:213799:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2CN(C(=O)OC(C)(C)C)CCO2)ncn1,GCXJXRDONSQNKE-UHFFFAOYSA-N
rxn:4:213799:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cc(C4CN(C(=O)OC(C)(C)C)CCO4)ncn3)c2)C1,CNVXLCQVLQGFCY-UHFFFAOYSA-N
rxn:4:213799:225975,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ncn2)C1,XMSZIRIRDIFCSU-UHFFFAOYSA-N
rxn:4:213801:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cncc(C2CN(C(=O)OC(C)(C)C)CCO2)n1,LRZDLPAQIKQXLW-UHFFFAOYSA-N
rxn:4:213836:222787,CC(C)(C)OC(=O)Nc1ccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,APUVCWLRHFKHNO-UHFFFAOYSA-N
rxn:4:213836:225233,CC1CCCN(c2cc(-c3ccnn3C3CCCN(C(=O)OC(C)(C)C)C3)cnc2Cl)C1,PHKRXIIEAQOJTD-UHFFFAOYSA-N
rxn:4:213836:226715,CC(C)(C)OC(=O)N1CCCC(n2nccc2-c2cnn(C(=O)OC(C)(C)C)c2)C1,BLUDOMHABMMDNS-UHFFFAOYSA-N
rxn:4:213861:224323,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4cccnn4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCCC1,BDFXWISFCDDEMY-UHFFFAOYSA-N
rxn:4:213868:222621,CC(C)Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)nc2)cc(C2CCCNC2)n1,BRSDBDGTYGTGIC-UHFFFAOYSA-N
rxn:4:213876:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1,OTNJQLREDRBATJ-UHFFFAOYSA-N
rxn:4:213879:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ncccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,WQDXIAHOMPVMGR-UHFFFAOYSA-N
rxn:4:213879:224268,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)CC1,FZUNXSXCOITKHS-UHFFFAOYSA-N
rxn:4:213880:223480,Cc1cc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JKTKAZQPWBFSLQ-UHFFFAOYSA-N
rxn:4:213880:224974,CN1CCN(Cc2ccccc2-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1,FCZMHTULYPFILU-UHFFFAOYSA-N
rxn:4:213880:225978,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCOCC3)nc2F)CC1,XFQFBLANMSIKJT-UHFFFAOYSA-N
rxn:4:213880:226716,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccn(C(=O)OC(C)(C)C)n2)CC1,QJGOUJIJSNGDCB-UHFFFAOYSA-N
rxn:4:213884:222985,Cc1nc(C2CCCNC2)ccc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,WXEICDUTLZYNCF-UHFFFAOYSA-N
rxn:4:213884:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CJSSTYRPVXXPGL-UHFFFAOYSA-N
rxn:4:213885:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3nccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc(C(F)(F)F)c2)CC1,HGNSFDNPZUTUCU-UHFFFAOYSA-N
rxn:4:213891:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)c2Cl)CC1,LNONNCCRFQWOHS-UHFFFAOYSA-N
rxn:4:213891:223818,CC(C)(C)OC(=O)N1CCCC(c2cnc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)cn2)C1,RDCLDESNDRYSSV-UHFFFAOYSA-N
rxn:4:213896:225181,CC(C)(C)OC(=O)N1CCC(c2ncc(-c3cccc(CN4CCOCC4)c3F)cn2)CC1,VSOFUQSQWKBLOJ-UHFFFAOYSA-N
rxn:4:213899:222890,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cc(OC)nc(C2CCCNC2)c1,CIEDXYRSEZDDME-UHFFFAOYSA-N
rxn:4:213900:223945,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,VJTBCEBAKZKDFE-UHFFFAOYSA-N
rxn:4:213902:223777,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,DIUNJPFNUDLKEW-UHFFFAOYSA-N
rxn:4:213933:229153,Cn1ncc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1C#N,ZVWAMDPJTOCMPW-UHFFFAOYSA-N
rxn:4:213940:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(C)c2C2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,NQXOCTAIFXFHHY-UHFFFAOYSA-N
rxn:4:213942:223536,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,VGFACSIHRBMPPS-UHFFFAOYSA-N
rxn:4:213943:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn[nH]c3C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,NLSMJOYMTPOWST-UHFFFAOYSA-N
rxn:4:213952:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCC(Oc5ncc(C)cn5)CC4)c3)cc2)CC1,HFHBCTAGZCQOFD-KWQFAZJVSA-N
rxn:4:213974:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)c1,VPOYSGDNBZAQOC-UHFFFAOYSA-N
rxn:4:213975:223480,Cc1cc(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,OGTWIDIVQCMDKJ-UHFFFAOYSA-N
rxn:4:213975:223687,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)nc2)CC1,UQWUGILHLGCMJT-UHFFFAOYSA-N
rxn:4:213979:226421,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(Cl)cc2N2CCCC2)nn1,GUYUFEQAPYZHNG-UHFFFAOYSA-N
rxn:4:213985:223932,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c1,ZNVGXQNAWCBYLQ-UHFFFAOYSA-N
rxn:4:213986:226541,COC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1OC,UYJDIMCMIJPXMT-UHFFFAOYSA-N
rxn:4:213990:223934,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc2ccc(F)cc2n1C(=O)OC(C)(C)C,POHMVWHSJKNDAY-UHFFFAOYSA-N
rxn:4:214005:224622,O=C(c1cccc(-c2ccn(C(=O)OCc3ccccc3)c2)c1)N1CCN(C(=O)N2CCOCC2)CC1,GXIGFEUBHNKVIE-UHFFFAOYSA-N
rxn:4:214005:228299,CCOC(=O)c1csc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)c1,FQNDXHJYNMXVIR-UHFFFAOYSA-N
rxn:4:214005:228368,Cc1c(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cccc1[N+](=O)[O-],LAOIHZXGBRQTQC-UHFFFAOYSA-N
rxn:4:214043:222629,CC(C)(C)c1cc(-c2ccccc2-c2noc(C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc(C2CCCNC2)n1,UYXBUOSKWLVTNI-UHFFFAOYSA-N
rxn:4:214048:223788,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,AXJUKZISLKOGQN-UHFFFAOYSA-N
rxn:4:214050:223040,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(C(=O)NC3CC3)c(F)c2)cc1F,ZBTMVLPUDBNCMP-CVEARBPZSA-N
rxn:4:214051:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nc(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c(C(C)C)s1,YYWSCTRQDRSEDE-UHFFFAOYSA-N
rxn:4:214051:227735,Cc1ncc(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)cc1C(F)(F)F,DRXDKAGOZONLHV-UHFFFAOYSA-N
rxn:4:214054:222414,Cc1ccc(S(N)(=O)=O)c(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,JTSHTWNOQZFCNJ-UHFFFAOYSA-N
rxn:4:214054:228713,CC(C)(C)n1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1,ODWACLAZVNBHIN-UHFFFAOYSA-N
rxn:4:214057:223754,CCN1CCN(Cc2ccc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)cc2N2CCCC2)CC1,MCCZKNZMNXXGKN-UHFFFAOYSA-N
rxn:4:214062:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)cc2)CC1,GFWAKOWMPSGKOX-QVYRIUEQSA-N
rxn:4:214066:227095,O=C1CC(c2ccc(-c3cccc(N4C(=O)CC(N5CCN(C(=O)c6ccccc6)CC5)C4=O)c3)cc2)C1,DCFXFSLYVAJONG-UHFFFAOYSA-N
rxn:4:214083:223489,Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)no3)CC2)cc1C,BJPBBKNGNHVWNX-UHFFFAOYSA-N
rxn:4:214086:223861,CCCCOc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCCC4)c3)cc2)cc1,LLDBPGDIBSWJSH-UHFFFAOYSA-N
rxn:4:214135:223658,CCN(CC)S(=O)(=O)c1c(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)nc2n1CCOC2,IKBURNKUKUPNOJ-UHFFFAOYSA-N
rxn:4:214146:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1c(C(F)(F)F)nc2n1CCN(C(=O)OC(C)(C)C)C2,MFSVISZLZYMHLC-UHFFFAOYSA-N
rxn:4:214147:222409,COc1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1S(N)(=O)=O,LAEUBVDLDAVWSF-UHFFFAOYSA-N
rxn:4:214147:228496,CC(C)(C)OC(=O)N1CCn2c(-c3cnn(CC(F)(F)F)c3)nc(C(F)(F)F)c2C1,JYOQWVYYTHYJFF-UHFFFAOYSA-N
rxn:4:214153:223106,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cnc(N4CCC(O)C4)nc3Cl)cnn2C1,APCHGEUCZWNBLN-PZORYLMUSA-N
rxn:4:214153:225361,CN(C(=O)OC(C)(C)C)[C@H]1COc2c(-c3cn(C4CCCC4)nc3C(F)(F)F)cnn2C1,XSIGVZWNGSELQH-CQSZACIVSA-N
rxn:4:214180:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)nn3c2)c1,IWWAWFZTDOQQFB-UHFFFAOYSA-N
rxn:4:214185:225975,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccnc(N4CCOCC4)c3Cl)c2C1,VORVRCAMDMDAQU-UHFFFAOYSA-N
rxn:4:214185:226849,COc1nccc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c1C(F)(F)F,HTVSQLGDGFIFDC-UHFFFAOYSA-N
rxn:4:214185:227205,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3cccc4c3OCCCO4)c2C1,NOQBSQIFNSWCQP-UHFFFAOYSA-N
rxn:4:214201:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)CC1,FYHUZCGRDHQWFZ-UHFFFAOYSA-N
rxn:4:214202:223115,CC(=O)NCCc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)cc1,KRWZWPHFATZMPK-NNWRFLSQSA-N
rxn:4:214236:223750,CC(C)(C)OC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)C1,PXOZELFBZBLWHL-UHFFFAOYSA-N
rxn:4:214277:223928,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc32)CC1,GAMGTLZKKXFGLC-UHFFFAOYSA-N
rxn:4:214292:226520,COc1ccc(-c2ccc3[nH]c([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)nc3c2)c(OC)c1OC,KEAGKGLVTUNIKF-JKSBSHDWSA-N
rxn:4:214304:227587,COc1cc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc(F)c1OC,OWIFSFIKQZGIOG-UHFFFAOYSA-N
rxn:4:214304:228920,CSc1nccc(-c2nn(C3CCOCC3)c3c2CN(C(=O)OC(C)(C)C)CC3)c1F,VXNLKVQZDOHFPB-UHFFFAOYSA-N
rxn:4:214320:223505,CC(C)(C)OC(=O)N1CCCC(n2cnc3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc32)CC1,XYCDVHLIRRBGQG-UHFFFAOYSA-N
rxn:4:214735:222997,O=S(=O)(C1CC1)N1CCN(c2ncc(-c3ccc(Cl)cc3C3CCCNC3)cc2F)CC1,CPXOCPVGXLIRBP-UHFFFAOYSA-N
rxn:4:214766:225000,CN(C)C1CCN(c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2[N+](=O)[O-])CC1,VUUPABYMISABBQ-UHFFFAOYSA-N
rxn:4:214772:225297,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)cn2)CC1,ROTMQPDQMUUQCU-UHFFFAOYSA-N
rxn:4:214826:225295,CC(C)(C)C(=O)N1CCC(c2cnc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)CC1,HKSHBOUHEHHCGO-UHFFFAOYSA-N
rxn:4:214826:225361,CC(C)(C)C(=O)N1CCC(c2cnc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)CC1,DHVXJQYINXJPNZ-UHFFFAOYSA-N
rxn:4:214829:222546,O=C(C1CN(c2ncccc2-c2ccc(OCCNC3CCCCC3)c(F)c2)CCO1)N1CCSCC1,FOGZLNRPTLEFFK-UHFFFAOYSA-N
rxn:4:214836:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,UZNKNJWULRVQCG-UHFFFAOYSA-N
rxn:4:214857:224326,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4ccn(C)n4)CC3)cc2)ccc1S(=O)(=O)N1CCCCC1,NNDOPWBSXWSKEC-UHFFFAOYSA-N
rxn:4:214862:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,DSFCZUJMJOFSQO-UHFFFAOYSA-N
rxn:4:214862:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,WJZVAYCUEKDUAZ-UHFFFAOYSA-N
rxn:4:214865:226231,CCCCOc1ncc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,KKUZESIBBOYDHH-UHFFFAOYSA-N
rxn:4:214870:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,DWYJBIJQANEURJ-UHFFFAOYSA-N
rxn:4:214871:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,OPKQPZTUTYVMFZ-UHFFFAOYSA-N
rxn:4:214874:226276,COc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1CN(C)C,GEKJLEJYRQFMIF-UHFFFAOYSA-N
rxn:4:214879:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4C(=O)CC(N5CCN(CC)CC5)C4=O)cc3)c(F)c2)CC1,KLXJYKRAKJCOHH-DUJLPWPBSA-N
rxn:4:214894:226664,CN1CCN(Cc2ccc(-c3cc(N4CCCC4)ncc3F)cc2N2CCOCC2)CC1,SGSYXOXFBXYZIB-UHFFFAOYSA-N
rxn:4:214896:228064,Cc1cc(-c2cnc3c(c2)C(=O)CC3)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,HXWPZXBABNPFDN-UHFFFAOYSA-N
rxn:4:214900:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)cc2)CC1,PKKDCSHWSCYXSS-UHFFFAOYSA-N
rxn:4:214900:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)cc2)CC1,YHRGMRRXCSPXHD-QVYRIUEQSA-N
rxn:4:214995:223844,CCOC(=O)C1CCc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)nnn2C1,LAHPSYJPCDUINT-UHFFFAOYSA-N
rxn:4:215019:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccnc3cnn(C(=O)OC(C)(C)C)c23)cc1,BUKBLELFIWFHQK-UHFFFAOYSA-N
rxn:4:215058:224424,CCCC1CCC(c2ccc(-c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,HQCGXQWEJYXYBL-UHFFFAOYSA-N
rxn:4:215065:224761,CC(C)(C)OC(=O)N1CCn2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2C1,SOSGSZIVWRQGFJ-UHFFFAOYSA-N
rxn:4:215096:225992,CC(C)Cn1cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)c(C(F)(F)F)n1,IGYMDQGVTNTOBY-UHFFFAOYSA-N
rxn:4:215100:225190,COc1cc(N2CCOCC2)ccc1-c1cnc2n1CCN(C(=O)OC(C)(C)C)CC2,XQUJTFUDMHQERB-UHFFFAOYSA-N
rxn:4:215101:223521,CC(c1cccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KJJLMVWMFKVMJQ-UHFFFAOYSA-N
rxn:4:215102:224283,CC(C)(C)OC(=O)N1CCc2nc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cn2CC1,DXTCJTSHYFTADN-UHFFFAOYSA-N
rxn:4:215102:225182,CC(C)(C)OC(=O)N1CCc2nc(-c3ccnc(OC4CCCCC4)c3Cl)cn2CC1,CJTHQNMTJXQBGL-UHFFFAOYSA-N
rxn:4:215110:224355,Cc1nc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)c2n1CCN(C(=O)OC(C)(C)C)C2,JHLNXXMYKCKOIF-UHFFFAOYSA-N
rxn:4:215201:224394,Cc1ccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N1CCOCC1,YNZWCBHCGMRJFE-UHFFFAOYSA-N
rxn:4:215201:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,GBMVGDGLNGRTGO-UHFFFAOYSA-N
rxn:4:215201:225637,CN1CCN(c2ccccc2-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)CC1,DXZIFGPDLKDPPA-UHFFFAOYSA-N
rxn:4:215232:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4ccc(N5CCCC(C(=O)N6CCOCC6)C5)nc4c3)c2)CC1,SJOFZEOYJJDUPZ-UHFFFAOYSA-N
rxn:4:215299:223281,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5(O)COC5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,HPIXYQJXPRQWDQ-UHFFFAOYSA-N
rxn:4:215309:223500,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc1-2,QFSODQSBRAHJRA-SANMLTNESA-N
rxn:4:215356:223506,CCn1nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],XTCVVGDUURPVAD-UHFFFAOYSA-N
rxn:4:215704:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOCC4)c(C#N)c3)c2Cl)CC1,HRTTVCLFXQVHFW-UHFFFAOYSA-N
rxn:4:215852:223696,O=S(=O)(c1ccc(-c2cc(N3CCOCC3)nc(C3CC3)n2)cc1)N1CCC2(CC1)OCCO2,PHNAYAHPWCCKNZ-UHFFFAOYSA-N
rxn:4:215905:222702,Cc1nc(N2CCOCC2)c(C#N)c(C)c1-c1cc(C2CCCNC2)ccc1C(F)(F)F,OCODTDBHFKRJQD-UHFFFAOYSA-N
rxn:4:215926:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cc(N2CCCCC2)nc(C2CC2)n1,WVWDALIXQZMBAT-UHFFFAOYSA-N
rxn:4:215939:223928,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,DHGQBSJSBMJPHB-UHFFFAOYSA-N
rxn:4:215941:222584,CN(C)C1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,MVSGUSYCAWEHRM-UHFFFAOYSA-N
rxn:4:215955:223997,Cc1cc(-c2cnccc2N2CCC(N(C)C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,SKRUZIHLQAWWAF-UHFFFAOYSA-N
rxn:4:215987:224490,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2ccccc2OCCN2CCCCC2)n1,RKPQYIDQIFNCFG-UHFFFAOYSA-N
rxn:4:215989:226714,CN1CCN(C2CCN(c3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3)CC2)CC1,QHVSYEGYHBNXPL-UHFFFAOYSA-N
rxn:4:217020:223606,O=S(=O)(c1ccc(-c2nnc(N3CCCCC3)s2)cc1F)N1CCC2(CC1)OCCO2,VBBCZKSLZXVBIA-UHFFFAOYSA-N
rxn:4:217024:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ncn(C2CCCCO2)n1,JRGWVGZIQYMPQG-UHFFFAOYSA-N
rxn:4:217087:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(Cl)nc3N3CCOCC3)c2)CC1,BVHXFPOBRIEDMO-UHFFFAOYSA-N
rxn:4:217145:223541,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cnc1N1CCOCC1,ZLPLDXMFUZBAKS-UHFFFAOYSA-N
rxn:4:217160:223823,CN1CCN(c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,CMWZDXJBWITRDD-UHFFFAOYSA-N
rxn:4:217200:223606,Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cnc1N1CCC(F)(F)CC1,QUBNPOJHYYUBPB-UHFFFAOYSA-N
rxn:4:217200:223695,Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cnc1N1CCC(F)(F)CC1,NZDGZRCBMOXIQL-UHFFFAOYSA-N
rxn:4:217447:223482,N#Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nc2n1CCOC2,ZGQZOESCUIKBLI-UHFFFAOYSA-N
rxn:4:217857:222542,Cc1ccc(-c2cnn(C)c2C23CCN(C)CC2O3)cc1OCCCN1CCNCC1,RAOMCLYSYDHJLJ-UHFFFAOYSA-N
rxn:4:217857:223809,CN1CCC2(c3c(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cnn3C)OC2C1,SFMBDBGLPVMXAJ-UHFFFAOYSA-N
rxn:4:217860:223957,CC(C)N1CCc2cc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)nn2CC1=O,ZOJRWTVWRQSDIN-UHFFFAOYSA-N
rxn:4:217905:223187,CONS(=O)(=O)c1cccc(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)c1,QMIJOPUSECFRTI-UHFFFAOYSA-N
rxn:4:218544:223541,Cc1nn2c(Cl)c3c(nc2c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2)CCCC3,UAVVCYJBJMRRSR-UHFFFAOYSA-N
rxn:4:218578:223646,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)CC1,JRQCKKKYQXDBDN-UHFFFAOYSA-N
rxn:4:218631:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1C,RYQQYFAELOOFNU-UHFFFAOYSA-N
rxn:4:218642:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1,JPDGEKCOEUJPBF-UHFFFAOYSA-N
rxn:4:218652:223928,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cn1,IEEUFQSJMGQQJG-UHFFFAOYSA-N
rxn:4:218664:225984,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)cc1,IPGKWUHAOHIJDX-UHFFFAOYSA-N
rxn:4:218681:224378,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnc(N5CCCCC5)c(C(F)(F)F)c4)cn3)CC2)CC1,DQJAKIYEGQYWNX-UHFFFAOYSA-N
rxn:4:218684:224279,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)c3)ccc2C#N)CC1,XGJZUZKQNHYPDJ-UHFFFAOYSA-N
rxn:4:218684:226538,CCOC(=O)c1cc(Cl)ccc1-c1cccc(-c2ccc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,XQTBJHHHLKRRPR-UHFFFAOYSA-N
rxn:4:218687:225234,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(N5CCCCC5)c(F)c4F)c3)CC2)nn1,JYKILARUSUUDCY-UHFFFAOYSA-N
rxn:4:218699:222947,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCCC(O)C5)nc4Cl)c3)ccc2C#N)CC1,ZVOBPTFCWKPNSH-UHFFFAOYSA-N
rxn:4:218699:223818,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)c3)ccc2C#N)CC1,WHROJSIXZDJWFT-UHFFFAOYSA-N
rxn:4:218699:224161,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)c3)ccc2C#N)CC1,YOHWJFRVXZFRDN-UHFFFAOYSA-N
rxn:4:218699:224213,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cc(F)ccc4OCc4cccc(F)c4)c3)ccc2C#N)CC1,AIAZMUIDBODYED-UHFFFAOYSA-N
rxn:4:218699:228935,CC(=O)c1cc(Cl)sc1-c1cccc(-c2ccc(C#N)c(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)c1,PRPQZVOKTVYAIY-UHFFFAOYSA-N
rxn:4:218706:224042,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(CN5CCc6ccccc65)cc4)c3C)CC2)cc1C,MLODUZFKPBGKLL-UHFFFAOYSA-N
rxn:4:218711:225486,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(F)c(-c4ccccc4)c3)CC2)CC1,QGOHBHIQCQFWMK-UHFFFAOYSA-N
rxn:4:218711:227536,CCOc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(F)cc1F,VMRWDWDEEPUSOQ-UHFFFAOYSA-N
rxn:4:218711:229103,Cc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc(Cl)n1,MUNLGTWXTBIJJW-UHFFFAOYSA-N
rxn:4:218716:226686,COC(=O)Cn1c(=O)c2c(nc(-c3c(C)cnn3C3CCCCO3)n2CC(=O)OC)n(C)c1=O,JTSVPGRLHBXFBQ-UHFFFAOYSA-N
rxn:4:218755:223573,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3n(CC#N)c2=O)CC1,ZUEFPRJATRJNPI-UHFFFAOYSA-N
rxn:4:218755:223574,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n(CC#N)c2=O)CC1,OIYHPKYPSFAGKX-UHFFFAOYSA-N
rxn:4:218778:222948,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(N5CCC(O)CC5)nc4Cl)cc(Cl)cc32)cc(C)c1F,GMFOVUDVAKTLBS-UHFFFAOYSA-N
rxn:4:218834:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)cc2)CC1,HSGRHUCSLFTKKS-SOAUALDESA-N
rxn:4:218851:224279,CN(c1cnc(-c2ccc3c(c2)ncn3C(=O)OC(C)(C)C)cn1)C1CN(C(=O)OC(C)(C)C)C1,NAJUKFSSNJFFTN-UHFFFAOYSA-N
rxn:4:218877:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cnc(OC2CCCN(C(=O)CN3CCOC3=O)C2)nc1,IHMWGSNJMYIYGR-UHFFFAOYSA-N
rxn:4:218896:223812,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,KMXOHLIQRDLSLQ-UHFFFAOYSA-N
rxn:4:218899:224397,N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC(=O)CC5)cc4)cn3)CC2)cc1,ZKLXPQZHLGJYRC-UHFFFAOYSA-N
rxn:4:218914:223670,Cc1nc(CN2CCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)cs1,RCDDOBOLKGDYQA-UHFFFAOYSA-N
rxn:4:218944:223788,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2[N+](=O)[O-])CC1,LZGVQUYFLMDBET-UHFFFAOYSA-N
rxn:4:218948:222608,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cn2)CC1,UMYKJOZHOTWZJV-UHFFFAOYSA-N
rxn:4:218948:224161,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1,MTUVWSUZINGHDQ-UHFFFAOYSA-N
rxn:4:218974:224321,Cc1cc(OCC2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3C#N)CC2)ccn1,LTPYBFRMCLWUDO-UHFFFAOYSA-N
rxn:4:219002:223812,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1=O,YKSULZXRIISNQC-UHFFFAOYSA-N
rxn:4:219028:223498,CC1CN(C(=O)c2cnn(C)c2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCN1C(=O)OC(C)(C)C,YFUVOCMMRMCOJO-UHFFFAOYSA-N
rxn:4:219028:223635,CC1CN(C(=O)c2cnn(C)c2-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCN1C(=O)OC(C)(C)C,ITOUDHBIPRRYRU-UHFFFAOYSA-N
rxn:4:219028:226539,CCOC(=O)c1ccc(Cl)cc1-c1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cnn1C,GKXJVSFSOYFKIR-UHFFFAOYSA-N
rxn:4:219028:228558,CCSc1cccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)c1,VXWLKSNYWVUZTD-UHFFFAOYSA-N
rxn:4:219033:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cn2)CC1,UNLQKHGXHJQURS-UHFFFAOYSA-N
rxn:4:219033:223880,Cc1ccc2c(c1)cc(-c1ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc1)n2C(=O)OC(C)(C)C,JVLGUKGLAZJNKE-UHFFFAOYSA-N
rxn:4:219033:223970,Cc1ccc(-c2ccc(CC(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,GORNUCZNRUMFTD-UHFFFAOYSA-N
rxn:4:219033:225232,CC1CCN(c2cc(-c3ccc(CC(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)cc3)cnc2Cl)CC1,KEIQUTNNIUIMCU-UHFFFAOYSA-N
rxn:4:219047:222631,COc1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,IVSRCSSWHWNECX-UHFFFAOYSA-N
rxn:4:219047:223930,COc1ccc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2C)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,TXSXIUPRUKMAQA-UHFFFAOYSA-N
rxn:4:219051:223084,CN(c1cnc(-c2cnc(N3CCC(O)CC3)nc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,CMSBNXKGCXQGIT-UHFFFAOYSA-N
rxn:4:219051:223505,CN(c1cnc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,KNVSAOUYRDNKTL-UHFFFAOYSA-N
rxn:4:219051:223635,CN(c1cnc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,SFDKTQDIDNWCHM-UHFFFAOYSA-N
rxn:4:219128:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,LFGIDJLBMWDPFZ-UHFFFAOYSA-N
rxn:4:219135:223255,CONC(=O)c1cccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)c1,IOXACSUAMZRICP-UHFFFAOYSA-N
rxn:4:219135:224010,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(S(=O)(=O)N6CCOCC6)ccc5OC)c4)C3C2=O)cc1,LVLFVZDDJDMRHF-UHFFFAOYSA-N
rxn:4:219135:224620,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CO[Si](C)(C)C(C)(C)C)nc5)c4)C3C2=O)cc1,PXCSHHNTTJUSEB-UHFFFAOYSA-N
rxn:4:219135:225176,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(CN6CCOCC6)c(Cl)c5)c4)C3C2=O)cc1,IPUJRIIAAPMPTC-UHFFFAOYSA-N
rxn:4:219135:225183,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5ccc(OC6CCCCC6)nc5F)c4)C3C2=O)cc1,NRWRHPHCLOGQFC-UHFFFAOYSA-N
rxn:4:219135:225187,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(Cl)ccc5CN5CCOCC5)c4)C3C2=O)cc1,PFXLQFPFGRKBAN-UHFFFAOYSA-N
rxn:4:219155:224459,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCCC5)c(C(C)(C)C)c4)c2)C3)nc1,URFUXNYREMMBPU-UHFFFAOYSA-N
rxn:4:219334:223106,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cnc(N4CCC(O)C4)nc3Cl)s2)CC1,JKSVBBDYPWMSDL-UHFFFAOYSA-N
rxn:4:219334:223578,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)s2)CC1,XFRYQWWBBNWHFP-UHFFFAOYSA-N
rxn:4:219369:224690,Cn1c(-c2ccc(CN3CCC(=O)CC3)cc2F)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,KQIOYFVDPBXIPJ-HXUWFJFHSA-N
rxn:4:219369:224760,Cn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,DPMYUQUBHHRZMG-LJQANCHMSA-N
rxn:4:219370:225653,CC1CCCCN1c1ccc(-c2cnn(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cn1,JZBRKMUMRXYJOU-UHFFFAOYSA-N
rxn:4:219371:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1nncn1C1CCN(C(=O)OC(C)(C)C)CC1,WSIXDYMGROBRMR-UHFFFAOYSA-N
rxn:4:219373:222948,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)n2)CC1,AFPZAZFOHLREBU-UHFFFAOYSA-N
rxn:4:219373:225221,CC1CCCN(c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)n3)c(F)cn2)C1,AWXTZLPUMMZLIB-UHFFFAOYSA-N
rxn:4:219374:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1,LBDBNFOXHKWGSE-UHFFFAOYSA-N
rxn:4:219381:224017,CSc1ncc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,IWAWWXMALSSUGK-UHFFFAOYSA-N
rxn:4:219381:226896,COCn1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)c(C(F)(F)F)n1,DDCVLERRWKPBMY-UHFFFAOYSA-N
rxn:4:219402:223065,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(N4CCNCC4)cc3F)cn2)CC1,AHILATBMODEBRD-UHFFFAOYSA-N
rxn:4:219402:225984,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,YMQDWMXMAMODMV-UHFFFAOYSA-N
rxn:4:219403:225232,CC1CCN(c2cc(-c3cnn(CC4CN(C5CCN(C6CC6)C5=O)C4)c3)cnc2Cl)CC1,YOARCEYAQLXTPK-UHFFFAOYSA-N
rxn:4:219403:227767,CCn1cc(-c2cnn(CC3CN(C4CCN(C5CC5)C4=O)C3)c2)c(C(F)(F)F)n1,VNPRMEJTPLYUHD-UHFFFAOYSA-N
rxn:4:219404:224276,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4cccnc34)n2)CC1,ZQNQRDDCHWPUNZ-UHFFFAOYSA-N
rxn:4:219404:224277,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)n2)CC1,PPMTVSVQGBBJKL-UHFFFAOYSA-N
rxn:4:219405:225296,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1,AODYKWDXYCGTBT-UHFFFAOYSA-N
rxn:4:219406:224162,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n2)CC1,RKYLRGUSZVTKMI-UHFFFAOYSA-N
rxn:4:219414:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)c1Cl,IHNGNWOOAJERFV-UHFFFAOYSA-N
rxn:4:219439:222702,FC(F)(F)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)c3)CC2)n1,YYNWQMRSXOWDKR-UHFFFAOYSA-N
rxn:4:219454:226412,Cc1c(-c2cc(F)cc(N3CCCC3)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1,SKEFSULOGHXIRW-UHFFFAOYSA-N
rxn:4:219456:223573,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,MBQWCLGRQPUWDX-UHFFFAOYSA-N
rxn:4:219456:223880,Cc1ccc2c(c1)cc(-c1cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n1)n2C(=O)OC(C)(C)C,XNWWQKXYRUNQPM-UHFFFAOYSA-N
rxn:4:219508:222546,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(OCCNC4CCCCC4)c(F)c3)CC2)cc(C(F)(F)F)n1,YZRIVKVHJOBUMQ-UHFFFAOYSA-N
rxn:4:219533:224818,CSc1ncc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,RWNIQBQOSULPPH-UHFFFAOYSA-N
rxn:4:219533:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,LQIZDDSXALJEEO-UHFFFAOYSA-N
rxn:4:219539:223823,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,FBIATZIVBXRUIV-UHFFFAOYSA-N
rxn:4:219543:223835,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3)CC2)n1,JWJBKUAKSXVNJA-UHFFFAOYSA-N
rxn:4:219551:227625,CC(C)N1CCC(N2CCC(Oc3ncc(-c4cnc(C5CCCO5)nc4)cn3)CC2)C1=O,DSJFKMDLWFHFCL-UHFFFAOYSA-N
rxn:4:219552:223945,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCCCN2CCOCC2)c(F)c1,GMRMJEUFHLZHAV-UHFFFAOYSA-N
rxn:4:219650:226255,CCCCOc1ccc(Cl)cc1-c1cc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1OC,XKXBYFDVQRFMNS-UHFFFAOYSA-N
rxn:4:219653:225978,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCOCC5)nc4F)nc3s2)CC1,OZAXDXFXDKOSNS-UHFFFAOYSA-N
rxn:4:219688:223084,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCC(O)CC5)nc4)cn3n2)CC1,WZTPUUJVYRIQLT-UHFFFAOYSA-N
rxn:4:219689:223084,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCC(O)CC5)nc4)n3c2)CC1,VTFNLNIECFSHLJ-UHFFFAOYSA-N
rxn:4:219691:222769,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(C(=O)NC5CCCC5)c(F)c4)c3n2)C1,SOPBHGTUWSHUAL-UHFFFAOYSA-N
rxn:4:219691:222929,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)c3n2)C1,PVZRNUNNAJMNIL-UHFFFAOYSA-N
rxn:4:219692:223490,Cc1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QCYHPKOJKONWHJ-UHFFFAOYSA-N
rxn:4:219692:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2nc(Cl)ncc12,CYBCJOIMKCQFET-UHFFFAOYSA-N
rxn:4:219710:225947,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnc(N6CCN(C)CC6)nc5)c(C)c4)C3C2=O)c1,AKQLHCRQWMKNRJ-UHFFFAOYSA-N
rxn:4:219780:223389,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(C)n[nH]c5C(F)(F)F)c(C(F)F)cc43)nn2C2CCOCC2)C1,PTUHGLNGDGEPLY-UHFFFAOYSA-N
rxn:4:219780:228455,COc1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(OC)n1,ZIZTWESDECKMMK-UHFFFAOYSA-N
rxn:4:219931:225294,CCN1CCN(c2ncc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cn2)CC1,HFCKRFKEFDWIDL-UHFFFAOYSA-N
rxn:4:219988:222546,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1)N1CCOCC1,OEBFQFKSMMOSJC-UHFFFAOYSA-N
rxn:4:219998:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1,YCTOVBZEUKDMAO-UHFFFAOYSA-N
rxn:4:220034:224018,CC(C)CC(=O)N1CCn2nc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)nc2C1,DIQDWWWMMUYPHU-UHFFFAOYSA-N
rxn:4:220034:224365,CCCCOc1cc(-c2nc3n(n2)CCN(C(=O)CC(C)C)C3)cc(C(F)(F)F)c1F,SBTBJRKPBDYSTR-UHFFFAOYSA-N
rxn:4:220039:222647,Cc1cc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c(C)cc1NC(=O)OC(C)(C)C,XWRNDRIXYLQFRC-UHFFFAOYSA-N
rxn:4:220039:223748,CC(C)(C)OC(=O)N1CCc2nnc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)n2C1,IMFUNJXCYVXTAB-UHFFFAOYSA-N
rxn:4:220039:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1nnc2n1CN(C(=O)OC(C)(C)C)CC2,QJJLAMVFGOLUKS-UHFFFAOYSA-N
rxn:4:220039:224415,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)n2C1,AHBAFRWSBMQCPC-UHFFFAOYSA-N
rxn:4:220041:224378,CC(C)(C)OC(=O)N1CCn2nnc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)c2C1,AIVLLAUAMNXLFC-UHFFFAOYSA-N
rxn:4:220041:224773,Cc1cc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)ccc1S(=O)(=O)N1CCCC1,XFGVJDYXBOHYQU-UHFFFAOYSA-N
rxn:4:220069:224132,CN(C(=O)c1ccccc1-c1nnc2n1CCN(C(=O)OC(C)(C)C)CC2)C1CCCCC1,FYWXIFMVBGFSSE-UHFFFAOYSA-N
rxn:4:220069:224404,CC(C)(C)OC(=O)N1CCc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)n2CC1,HYNAZFBVHDAMOJ-UHFFFAOYSA-N
rxn:4:220069:224658,CC(=O)N1CCN(c2ccc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cc2)CC1,SDFCVTKLJGPUJB-UHFFFAOYSA-N
rxn:4:220070:224336,CC(C)(C)OC(=O)N1CCCn2nc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)nc2C1,QPWPALXMUAKPPZ-UHFFFAOYSA-N
rxn:4:220226:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)ncc4c3)c2Cl)CC1,XYICNNMVMCWBDV-UHFFFAOYSA-N
rxn:4:220396:223695,CN1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2[N+](=O)[O-])CC1=O,UHIIJPWGHVZANG-UHFFFAOYSA-N
rxn:4:220464:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3nc4n(n3)CCN(C(=O)C3CCC3)C4)cn2)CC1,NSEBZFBHQKDRKW-UHFFFAOYSA-N
rxn:4:220464:223835,Cc1cc(F)c(-c2nc3n(n2)CCN(C(=O)C2CCC2)C3)cc1S(=O)(=O)N1CCC(C)CC1,DANNRRSECVSKNJ-UHFFFAOYSA-N
rxn:4:220592:223482,CC(C)n1nnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1,ADQDZOQSIHVJGJ-UHFFFAOYSA-N
rxn:4:221121:224424,CCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,RXGGMTSMXAYEHG-UHFFFAOYSA-N
rxn:4:221152:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c(F)c2)CC1,LVFWVGNDIADYKT-GLQXSRQHSA-N
rxn:4:221157:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)c(F)c2)CC1,GEGICWVRCGHTSJ-UHFFFAOYSA-N
rxn:4:221182:227404,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc(N5CCCCC5)cs4)cn3)CC2)C1=O,MOPIXCPUMDLHAO-UHFFFAOYSA-N
rxn:4:221186:223696,CN(CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)cn2)CC1)c1cc(C(F)(F)F)ccn1,IJAQRLAWLDXCNB-UHFFFAOYSA-N
rxn:4:221198:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)nc3)cc2C1,ZKLBKMXJRCHUET-UHFFFAOYSA-N
rxn:4:221207:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccc(CCN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)c2F)cc1,FORPNFKJRBLAKI-UHFFFAOYSA-N
rxn:4:221207:223542,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,JTXPCFYHLMQNTG-UHFFFAOYSA-N
rxn:4:221232:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2Cl)CC1,BWTBJOIJDSCBGN-UHFFFAOYSA-N
rxn:4:221240:223532,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,OMRYUAADMHXSAH-UHFFFAOYSA-N
rxn:4:221249:223062,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(C6CCNCC6)cc5F)cnn4c3)cc2)CC1,SBHLNNKAQKDBNE-UHFFFAOYSA-N
rxn:4:221275:223775,COc1ccc2c(c1)c(-c1ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc1)cn2C(=O)OC(C)(C)C,BYCSNQVWEXNLNL-UHFFFAOYSA-N
rxn:4:221351:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)ccn2)CC1,FPYAPYUVVKCOAE-UHFFFAOYSA-N
rxn:4:221358:223525,Cc1cc(N2CC(Cn3cc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)nc(C2CC2)n1,JTDCJEPFBOZXHT-UHFFFAOYSA-N
rxn:4:221369:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c2)CC1,PSRYXFCUQVTPDI-UHFFFAOYSA-N
rxn:4:221401:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(CN2CCN(c3nccc(N(C)C)n3)CC2)c1,QVHGKWXGAOHECC-UHFFFAOYSA-N
rxn:4:221412:224719,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cn3)CC2)n1,FKKQLZRNLLHWHR-UHFFFAOYSA-N
rxn:4:221412:224736,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(C(F)(F)F)cc4OCC(C)C)cn3)CC2)n1,NMMIZGYUCBEHSL-UHFFFAOYSA-N
rxn:4:221413:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2)CC1,VDVASHXQUGXFBF-UHFFFAOYSA-N
rxn:4:221419:225232,CC1CCN(c2cc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cnc2Cl)CC1,GSLSNXUKBOOTHP-UHFFFAOYSA-N
rxn:4:221421:222721,O=C(c1cccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,SNQQKNPFLDKSTC-UHFFFAOYSA-N
rxn:4:221422:226231,CCCCOc1ncc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1C,LJAWBGBFEWXSER-UHFFFAOYSA-N
rxn:4:221425:223061,Fc1cnc(C2CCNCC2)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,SYQYGUOLOSUYSC-UHFFFAOYSA-N
rxn:4:221425:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)c2)CC1,DSERCTVXACNCNU-UHFFFAOYSA-N
rxn:4:221425:225431,CCOc1ccc(C(C)(C)C)cc1-c1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,UBYGJERBGQRGOT-UHFFFAOYSA-N
rxn:4:221425:225641,CC1CCCN(c2cc(-c3cccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)c3)ccn2)C1,ACTPJHDJFZMUHE-UHFFFAOYSA-N
rxn:4:221428:222851,CCc1cc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cc(C2CCNCC2)n1,VPEYORBYRLGHLX-UHFFFAOYSA-N
rxn:4:221447:225952,Cc1cc(N2CCN(Cc3ccc(-c4cnc(N5CCOCC5)nc4C)cc3)CC2)nc(N2CCOCC2)n1,RVNAEXUXWRYUOS-UHFFFAOYSA-N
rxn:4:221491:222546,Fc1cnc(OCC23CCCC2CN(c2ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn2)C3)nc1,RYDQEZKDMQXBSL-UHFFFAOYSA-N
rxn:4:221498:225984,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4cnc(Cl)c(N5CCOCC5)c4)c23)CC1,OQUHIGGDPWCMIK-UHFFFAOYSA-N
rxn:4:221522:223520,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cn4)CC3)cnc2c1,SSIKKHSZWBOONR-UHFFFAOYSA-N
rxn:4:221596:223533,COCn1nc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)nc1N1CCN(C)CC1,LTEMMEKAPWKUMU-UHFFFAOYSA-N
rxn:4:221640:223695,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)CC2)n1,XRAYPFLDASODTF-UHFFFAOYSA-N
rxn:4:221645:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2)CC1,AGVCHAMRISVIDR-UHFFFAOYSA-N
rxn:4:221723:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)nc3)cc2)CC1,FFKUKBJGKSCYAQ-UHFFFAOYSA-N
rxn:4:221742:223812,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,JNJWNNLBLSTDSY-UHFFFAOYSA-N
rxn:4:221949:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)cc2)CC1,JNECJJSPNJJQNZ-JFJJZVRQSA-N
rxn:4:221971:224292,Cc1cc(-c2cnc(OCC3CCN(Cc4nnc5n4CCC5)CC3)nc2)ccc1S(=O)(=O)OCC(C)(C)C,WNACDTNDCVRURD-UHFFFAOYSA-N
rxn:4:221978:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2)CC1,IKPZUCPYVJLZSI-UHFFFAOYSA-N
rxn:4:222009:222537,FC(F)c1cc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)nc(C2CC2)n1,OPHVKIMVJTWSPJ-UHFFFAOYSA-N
rxn:4:222053:224752,CCc1cc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)cn3)CC2)nc(C(C)(C)C)n1,AKPSSYZWTIECAJ-UHFFFAOYSA-N
rxn:4:222056:224754,CC(C)(C)c1cc(N2CCN(c3ncc(-c4ccccc4S(=O)(=O)N4CCCCC4)cn3)CC2)nc(C2CC2)n1,PXXKMADBOACPCI-UHFFFAOYSA-N
rxn:4:222161:223945,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,HXWXKWBYYHYKCS-UHFFFAOYSA-N
rxn:4:222168:223578,c1ccc(COc2nc(N3CCCCC3)ncc2-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc1,WYLKRDFTPBAFGN-UHFFFAOYSA-N
rxn:4:222337:224753,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cn3)CC2)n1,SZJAMCQJPWRNDK-UHFFFAOYSA-N
rxn:4:222345:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6C)CC4)o3)c(F)c2)CC1,OJUPJYFDWZUZBN-HZCBDIJESA-N
rxn:4:222389:207946,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,LXWREFBHIIFDTB-UHFFFAOYSA-N
rxn:4:222389:216211,COc1ccnc2c1c(-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)nn2C1CCCCO1,JNDOGEQDEGGLDC-UHFFFAOYSA-N
rxn:4:222522:206207,COc1ccc(-c2cn(C3CCCC3)nc2C(F)(F)F)cc1S(=O)(=O)N1CCC(O)CC1,LVCQXTZUJRUJPO-UHFFFAOYSA-N
rxn:4:222632:204109,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1,GBOLFQXQWFGNSK-UHFFFAOYSA-N
rxn:4:222633:204109,O=C(NCCN1CCCC1)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1,INNSAVSKULOCKR-UHFFFAOYSA-N
rxn:4:223062:207946,COc1cc(-c2cnc(C3CCNCC3)cc2F)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,GEXLTTZPHMSWIJ-UHFFFAOYSA-N
rxn:4:223540:185655,COC(=O)CCc1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)no1,GCMCARAEQIAYLZ-UHFFFAOYSA-N
rxn:4:223830:216089,CCN1CCN(S(=O)(=O)c2cc(-c3nnc4n3CCC(C(=O)OC)C4)ccc2C)CC1,GRVHXFVCKHIKHR-UHFFFAOYSA-N
rxn:5:176852:225982:222981,COC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)c(OC)c(-c2cnc(N3CCOCC3)cc2F)c1,CECGODVXPJBIAO-UHFFFAOYSA-N
rxn:5:177373:225507:226371,COC(=O)C1CCc2cc(-c3cc(-c4cnc(N5CCCC5)cc4C)ccc3OCC3OCCO3)ccc21,TZMKBOSVFDFENO-UHFFFAOYSA-N
rxn:5:177730:226794:225616,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccccc1C(=O)N1CCCC1,WACYUYKIMZQAJC-UHFFFAOYSA-N
rxn:5:177731:225982:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,NQPWQMRHZLJXQY-UHFFFAOYSA-N
rxn:5:177732:223056:225978,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCOCC3)nc2F)c1,DIOQWQDLQVASHW-UHFFFAOYSA-N
rxn:5:177736:225834:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(N3CCCCC3)ncc2F)c1,IONSJUKQAKEGOP-UHFFFAOYSA-N
rxn:5:177738:227404:225834,COc1cc(-c2cc(N3CCCCC3)ncc2F)c(-c2cc(N3CCCCC3)cs2)cc1OC1CCC1,LWJMQYGQARCTBF-UHFFFAOYSA-N
rxn:5:177739:225655:226663,CC1CCN(c2cncc(-c3cccc(C(=O)OC(C)(C)C)c3-c3ccc(N4CCSCC4)nc3)c2)CC1,CCUKNUAIQHJOCM-UHFFFAOYSA-N
rxn:5:177850:222991:226946,CCOc1ccc(-c2ccc(N3CCCC(O)C3)cc2)c(C2OCCO2)c1-c1ccc2c(c1)CCN(C)C2,MHYIDWSBLHKRIM-UHFFFAOYSA-N
rxn:5:177850:222995:226946,CCOc1ccc(-c2cccc(N3CCCC(O)C3)c2)c(C2OCCO2)c1-c1ccc2c(c1)CCN(C)C2,OSYHGVLIEAYPDH-UHFFFAOYSA-N
rxn:5:177850:223010:226916,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1cccc(C2=CCCC2)c1,ARSSHDSFVDASBP-UHFFFAOYSA-N
rxn:5:177850:223010:226918,CCOc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(C2OCCO2)c1-c1ccc(C2=CCCC2)cc1,MRMFAAPNIVQOHW-UHFFFAOYSA-N
rxn:5:177850:223202:225621,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCOC2)c(C)c1,YZVAEKRHKOUZLT-UHFFFAOYSA-N
rxn:5:177850:225436:225621,CCOc1ccc(-c2ccc(CN3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(OC2CCOC2)c(C)c1,JMKPWQMWRMRLHR-UHFFFAOYSA-N
rxn:5:177850:225446:228002,CCOc1ccc(-c2cc(C)cc(OC3CCCC3)c2)c(C2OCCO2)c1-c1sccc1C1CCCC1,RLXBPBQUKFGMJL-UHFFFAOYSA-N
rxn:5:177850:225447:225881,CCOc1ccc(-c2ccc(OC3CCCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2CCOCC2)nc1F,PFAOYTDXJIKJLV-UHFFFAOYSA-N
rxn:5:177850:225618:223202,CCOc1ccc(-c2cccc(OC3CCCCO3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,FXVYVCRZDUYAKH-UHFFFAOYSA-N
rxn:5:177850:225622:223202,CCOc1ccc(-c2ccccc2OC2CCCCO2)c(C2OCCO2)c1-c1ccc(C2(O)CCC2)cc1,BPCZNKIFSNESQD-UHFFFAOYSA-N
rxn:5:177850:226153:223010,CCOc1ccc(-c2cc(C3CC3)c(OC)cc2C)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,AOSHMCZNQRDXIB-UHFFFAOYSA-N
rxn:5:177850:226645:223131,CCOc1ccc(-c2ccnc(N3CCOCC3)c2)c(C2OCCO2)c1-c1ccc(N2CCNCC2)cc1,CSBMTSVCQGJODY-UHFFFAOYSA-N
rxn:5:177850:226916:223010,CCOc1ccc(-c2cccc(C3=CCCC3)c2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,FOARLDJCLCTSLT-UHFFFAOYSA-N
rxn:5:177850:226918:223010,CCOc1ccc(-c2ccc(C3=CCCC3)cc2)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,GNAAOIDIAYXACK-UHFFFAOYSA-N
rxn:5:177850:227058:223010,CCOc1ccc(-c2cc(C3CC3)ccc2OC)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,VGFUYNQWIFEHNP-UHFFFAOYSA-N
rxn:5:177850:227072:223010,CCOc1ccc(-c2ccc(C3CC3)cc2OC)c(C2OCCO2)c1-c1ccc(C2(O)CCOCC2)cc1,WTXSHUBDWLTFOA-UHFFFAOYSA-N
rxn:5:177850:227108:225600,CCOc1ccc(-c2cc(C3CCC3)ccc2F)c(C2OCCO2)c1-c1cccnc1OC1CCCCC1,DEMWTFMHHMSEAM-UHFFFAOYSA-N
rxn:5:177850:227495:225499,CCOc1ccc(-c2cc(N(C)CC)ncc2F)c(C2OCCO2)c1-c1ccc(C2CCCCC2)cc1F,YTHIBIHSAIBHCD-UHFFFAOYSA-N
rxn:5:177850:227766:226848,CCOc1ccc(-c2cc(C(F)(F)F)nn2CC)c(C2OCCO2)c1-c1ccc(OC)nc1C(F)(F)F,HRHWAPXCGUFJMR-UHFFFAOYSA-N
rxn:5:177851:223010:226197,CCOc1c(-c2ccc(C3CCCOC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2(O)CCOCC2)cc1,HAPKKRNHOPGKCC-UHFFFAOYSA-N
rxn:5:177851:223010:227131,CCOc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1cccc(C2CCOC2)c1,MKMUPJSAEFCBET-UHFFFAOYSA-N
rxn:5:177851:225407:223202,CCOc1c(-c2ccc(C3CCCCCC3)cc2)cc(C2OCCO2)cc1-c1ccc(C2(O)CCC2)cc1,QBDIYJQAGVWFLJ-UHFFFAOYSA-N
rxn:5:177851:225407:223203,CCOc1c(-c2ccc(C3CCCCCC3)cc2)cc(C2OCCO2)cc1-c1cccc(C2(O)CCC2)c1,UFUIUXFZUJKDRH-UHFFFAOYSA-N
rxn:5:177851:225465:225591,CCOc1c(-c2cccc(C3CCN(C)CC3)c2)cc(C2OCCO2)cc1-c1cc(CN2CCCC2)ccc1F,YTZAELISYZLDMD-UHFFFAOYSA-N
rxn:5:177891:226900:228416,COc1cc(F)cc(F)c1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(S(F)(F)(F)(F)F)cc1,QBKOBEYBIFDCTF-UHFFFAOYSA-N
rxn:5:177891:227656:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cc(N2CCOCC2)cs1,SSYKDZXSHGCDSN-UHFFFAOYSA-N
rxn:5:177891:227756:226901,O=C(SC1CS(=O)(=O)CC1c1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1-c1c(F)cccc1C(F)(F)F,BKXGONZXCAHJHV-UHFFFAOYSA-N
rxn:5:177891:228012:226900,O=C(SC1CS(=O)(=O)CC1c1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1-c1cccc(F)c1C1CC1,PAWRUMIPZUVWLC-UHFFFAOYSA-N
rxn:5:178117:225666:223202,OC1(c2ccc(-c3ccc(-c4cc(F)cc(N5CCCCC5)c4)cc3OCC3CCOCC3)cc2)CCC1,UDVNFKRGBVIEBK-UHFFFAOYSA-N
rxn:5:178118:225832:228866,COCc1noc(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(OCC2CCCCO2)c1,SYXHILMZIAVUHU-UHFFFAOYSA-N
rxn:5:178118:226152:225499,COc1cc(C2CC2)cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2OCC2CCCCO2)c1C,AMWVQWNBXZFFLL-UHFFFAOYSA-N
rxn:5:178118:226152:226587,COc1cc(C2CC2)cc(-c2ccc(-c3cnc(OC4CCC4)cc3F)cc2OCC2CCCCO2)c1C,YXWXPWLSYAMZGQ-UHFFFAOYSA-N
rxn:5:178120:225805:228219,CC(C)c1cc(F)c(-c2c(OCC3CCOCC3)cccc2-c2ccc(C(C)N3CCOCC3)s2)cn1,AXCYQBOKIOYBSN-UHFFFAOYSA-N
rxn:5:178120:225821:226838,N#Cc1ncc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CC3)c(C(F)(F)F)c2)cc1C(F)(F)F,BQBKNPKHKWIGGW-UHFFFAOYSA-N
rxn:5:178120:226437:225810,COc1ccc(-c2c(OCC3CCOCC3)cccc2-c2cc(C3CCCC3)ncc2F)c(C2OCCO2)c1,CRZBAZDZFHBWTR-UHFFFAOYSA-N
rxn:5:178120:226837:228100,CCCn1nc(C)c(-c2c(OCC3CCOCC3)cccc2-c2c(C)nn(CC(F)(F)F)c2C)c1C,ALDINEFQKPNHKW-UHFFFAOYSA-N
rxn:5:178122:225625:227364,COc1ccc(-c2cc(-c3cc(OC4CCCC4)ccc3F)ccc2COC2CCCCO2)c(OC)c1C,BJZGWTHEUYQXCF-UHFFFAOYSA-N
rxn:5:178122:225928:227371,COc1c(C)ccc(-c2cc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)ccc2COC2CCCCO2)c1OC,XRRVDMDYIXLMFR-UHFFFAOYSA-N
rxn:5:178122:226064:226464,COc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3)ccc1COC1CCCCO1)OCCO2,QYLJWEJJXBFAPF-UHFFFAOYSA-N
rxn:5:178122:226464:226150,COc1ccc2c(c1-c1ccc(COC3CCCCO3)c(-c3cccc(SC4CCCC4)c3)c1)OCCO2,QRWGGWJKCRAERR-UHFFFAOYSA-N
rxn:5:178224:225577:227707,N#Cc1cc(N2CCCC2)ccc1-c1cc(OCC2CCCCC2)cc(-c2ccccc2OC(F)(F)F)c1,VKOGTXOJLZRLLI-UHFFFAOYSA-N
rxn:5:178225:225499:227592,COc1cc(F)cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCC3)cc2F)c1OC,KXSQSEOZQNMMIJ-UHFFFAOYSA-N
rxn:5:178225:225810:227068,COc1ccc(-c2cccc(OCC3CCCCC3)c2-c2ccc(CC(C)C)cc2F)c(C2OCCO2)c1,MBQAAENUAFNASP-UHFFFAOYSA-N
rxn:5:178225:226060:226778,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CC3)cc(C3CC3)c2)c(F)c(F)c1OC,TUYPQCIAPFOLLE-UHFFFAOYSA-N
rxn:5:178226:223010:227432,Cc1nc(C2COC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1ccc(C2(O)CCOCC2)cc1,GSYIRMDEPJTJMJ-UHFFFAOYSA-N
rxn:5:178226:227078:225809,COc1ccc(C2CC2)c(-c2c(OCC3CCCCC3)cccc2-c2cc(F)ccc2OC2CCOC2)c1,MLDWVOPCYAFYRF-UHFFFAOYSA-N
rxn:5:178226:227561:225499,COc1cc(F)c(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCC3)cc2F)cc1OC,NWKCBKAFPSHUBW-UHFFFAOYSA-N
rxn:5:178295:228680:228199,CCCn1nc(C)cc1-c1ccc(-c2cn(C3CCC3)nc2C)cc1C1(C(=O)OC)CCC(=O)CC1,XIRUTZPRAVDKHA-UHFFFAOYSA-N
rxn:5:178313:226913:225498,CCc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CCCCC3)ccc2F)cc(C2CC2)c1,YFFXMSRVTFCLMZ-UHFFFAOYSA-N
rxn:5:178313:227058:225452,COc1ccc(C2CC2)cc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(OC2C=CCCC2)cc1,SRKJKKXCPSUCFG-UHFFFAOYSA-N
rxn:5:178313:227591:225451,COc1cc(C(F)F)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(SC2CCCCC2)cc1,XVPAXAASQYWLSE-UHFFFAOYSA-N
rxn:5:178314:223202:222958,Cc1ccc(-c2ccc(-c3ccc(C4(O)CCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc1C1CCNCC1,SLHFPEOYJUGXNR-UHFFFAOYSA-N
rxn:5:178314:225499:227057,COc1cccc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2O[Si](C)(C)C(C)(C)C)c1C1CC1,CXWSUZHIKCVCOB-UHFFFAOYSA-N
rxn:5:178314:226573:227767,CCn1cc(-c2ccc(-c3cnc(OC(C)(C)C)nc3C)cc2O[Si](C)(C)C(C)(C)C)c(C(F)(F)F)n1,SQWLPDBQYUDDMH-UHFFFAOYSA-N
rxn:5:178314:227589:225446,Cc1cc(OC(F)F)cc(-c2ccc(-c3cc(C)cc(OC4CCCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)c1,XAMIFCLXDIKUHA-UHFFFAOYSA-N
rxn:5:178314:227786:225926,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(F)c(C(F)(F)F)c2)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,VMMFGFOCVNGFNJ-UHFFFAOYSA-N
rxn:5:178315:225445:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccccc2OC2CCCCC2)cc(-c2cccc3c2CCC32CC2)c1,QEADALUATWVUNV-UHFFFAOYSA-N
rxn:5:178315:225498:227072,COc1cc(C2CC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(C3CCCCC3)ccc2F)c1,WIFLECTYBYSVQA-UHFFFAOYSA-N
rxn:5:178315:225499:227067,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C4CCCCC4)cc3F)c2)c(C2CC2)c1,AQNPIEOHCJKMFX-UHFFFAOYSA-N
rxn:5:178368:225447:226916,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(C4=CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(OC2CCCCC2)cc1,NDOUSOFHXBNMGT-UHFFFAOYSA-N
rxn:5:178466:223006:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,UOCKPKVZUXIKND-UHFFFAOYSA-N
rxn:5:178466:223061:223064,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,JIQZLNPUFVISTM-UHFFFAOYSA-N
rxn:5:178466:223062:225976,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,LXFSQFNTMUGVAY-UHFFFAOYSA-N
rxn:5:178466:225833:223063,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,YUVCMUANSYVPKK-UHFFFAOYSA-N
rxn:5:178466:225834:223056,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,OAORQUXJSYIFLP-UHFFFAOYSA-N
rxn:5:178466:225976:223061,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,UDVFLPYJHUPESM-UHFFFAOYSA-N
rxn:5:178466:225976:223063,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,HPDKACHLDRVNDJ-UHFFFAOYSA-N
rxn:5:178466:225976:225656,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cncc(N2CCCCC2C)c1,MRRMHQCABBPVMH-UHFFFAOYSA-N
rxn:5:178466:225980:225833,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,KGKNJMPICICSMS-UHFFFAOYSA-N
rxn:5:178466:225982:223061,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,ORMPBLXBAFGYBS-UHFFFAOYSA-N
rxn:5:178467:223006:228201,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCC4)nc3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2OC1,PBZDPONRFBXZNM-UHFFFAOYSA-N
rxn:5:178467:225834:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,KIYMPHWDNVBIFV-UHFFFAOYSA-N
rxn:5:178467:225980:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,GSZGZSJNEHRSOF-UHFFFAOYSA-N
rxn:5:178467:226744:227766,CCOC(=O)C1=Cc2cc(-c3cc(C(F)(F)F)nn3CC)cc(-c3cnc(C(F)(F)F)c(CC)c3)c2OC1,AYDHARVVNKZNGH-UHFFFAOYSA-N
rxn:5:178467:227625:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cnc(C4CCCO4)nc3)c2OC1,WCUSLDWLGILTRV-UHFFFAOYSA-N
rxn:5:178467:228712:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnn3C3CCC3)c2OC1,LRFROEIKJRUNSN-UHFFFAOYSA-N
rxn:5:180020:226900:225824,O=C1CCCC1Oc1ccc(-c2cc(C3CC3)cc(C(F)(F)F)c2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,JWYGEQJMVOXDSG-UHFFFAOYSA-N
rxn:5:180021:223010:223133,COc1c(-c2ccc(C3(O)CCOCC3)cc2)cc(C2OCCO2)cc1-c1ccccc1N1CCNCC1,MAHHHAZPSFCSLO-UHFFFAOYSA-N
rxn:5:180021:225439:226588,COc1c(-c2cccc(C(C)N3CCCC3)c2)cc(C2OCCO2)cc1-c1cc(OC2CCC2)ncc1F,IHJQIENFHAKAIV-UHFFFAOYSA-N
rxn:5:180021:225589:225978,COc1c(-c2ccc(CN3CCSCC3)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCOCC2)nc1F,DTYQTRJZYGFBRQ-UHFFFAOYSA-N
rxn:5:180021:225594:225802,COc1c(-c2ccc(F)cc2CN2CCCC2)cc(C2OCCO2)cc1-c1ccc(OC2CCCC2)nc1F,TYSBEUIITMHURF-UHFFFAOYSA-N
rxn:5:180021:225613:226598,COc1c(-c2ccnc(OC3CCCCC3)c2)cc(C2OCCO2)cc1-c1cc(OC(C)C)c(F)cc1F,DWDWGDUSFRFYOZ-UHFFFAOYSA-N
rxn:5:180021:225639:225605,COc1c(-c2cc(C)cnc2OC2CCCC2)cc(C2OCCO2)cc1-c1cccnc1N1CCC(C)CC1,LOURMLCWCRSUOR-UHFFFAOYSA-N
rxn:5:180021:225639:226587,COc1c(-c2cnc(OC3CCC3)cc2F)cc(C2OCCO2)cc1-c1cccnc1N1CCC(C)CC1,NANDGNKJCLGCAK-UHFFFAOYSA-N
rxn:5:180021:225881:227103,COc1c(-c2ccc(C3CCOCC3)nc2F)cc(C2OCCO2)cc1-c1sccc1C1CCCCC1,RTTFCGVRJQXYRM-UHFFFAOYSA-N
rxn:5:180022:223139:226652,COc1c(-c2cc(C)nn2C2CCCCO2)ccc(-c2ccc(C3CCNCC3)nc2)c1C1OCCO1,CVMOFCWOZXZFEY-UHFFFAOYSA-N
rxn:5:180022:225394:225499,COc1c(-c2ccc(C3CCCCC3)cc2F)ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c1C1OCCO1,BJPAZBQZAFQDRH-UHFFFAOYSA-N
rxn:5:180022:225435:223144,COc1c(-c2ccc(N3CCC(O)C3)cc2)ccc(-c2ccccc2CN2CCCCC2)c1C1OCCO1,RKFMWGNCUKCQJJ-UHFFFAOYSA-N
rxn:5:180022:225499:225618,COc1c(-c2cccc(OC3CCCCO3)c2)ccc(-c2ccc(C3CCCCC3)cc2F)c1C1OCCO1,ACJCPQFTVWHUQU-UHFFFAOYSA-N
rxn:5:180022:225641:226374,COc1c(-c2cncnc2C2CCCCC2)ccc(-c2ccnc(N3CCCC(C)C3)c2)c1C1OCCO1,VUPHSXPDCNYRJX-UHFFFAOYSA-N
rxn:5:180022:225652:225581,COc1c(-c2ccc(CN3CCOCC3)cc2)ccc(-c2cncc(N3CCCC(C)C3)c2)c1C1OCCO1,NDPVDRHFAZVKNJ-UHFFFAOYSA-N
rxn:5:180022:225794:225802,COc1c(-c2ccc(OC3CCCC3)nc2F)ccc(-c2cnc(OC3CCCCC3)nc2)c1C1OCCO1,RFMWLQJPJBDCEX-UHFFFAOYSA-N
rxn:5:180022:225880:226685,COc1c(-c2cnc(C3CCOCC3)nc2)ccc(-c2cc(C3CCOCC3)ncc2F)c1C1OCCO1,BSHWKSSLSZYIOQ-UHFFFAOYSA-N
rxn:5:180022:226432:225461,COc1c(-c2ccc(N3CCCCC3)cc2C)ccc(-c2ccc(C3CCCC3)nc2F)c1C1OCCO1,OBENVXPDXQTSEW-UHFFFAOYSA-N
rxn:5:180022:227404:225637,COc1c(-c2ccccc2N2CCN(C)CC2)ccc(-c2cc(N3CCCCC3)cs2)c1C1OCCO1,HVUJACQJJUALAU-UHFFFAOYSA-N
rxn:5:180022:227611:222984,COc1c(-c2ccc(CN3CCC(O)C3)cc2)ccc(-c2ccnn2C2CCCCO2)c1C1OCCO1,VUMQWSGIRFFTMZ-UHFFFAOYSA-N
rxn:5:180297:223010:226189,COc1cc(-c2ccc(C3(O)CCOCC3)cc2)c(C2(C)OCCO2)cc1-c1ccc(C2CCCC2)c(F)c1,ZHIJZXKGZGZSCP-UHFFFAOYSA-N
rxn:5:180297:226030:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C2(C)OCCO2)c(-c2cc(F)c(OC)c(C(F)(F)F)c2)cc1OC,VPFSKROPXBBXEG-UHFFFAOYSA-N
rxn:5:180297:227803:225810,COc1ccc(-c2cc(C3(C)OCCO3)c(-c3ccnn3S(=O)(=O)N(C)C)cc2OC)c(C2OCCO2)c1,SDDDXHFOAWHKLK-UHFFFAOYSA-N
rxn:5:180421:222956:226144,Cc1ccc(-c2cc(CC3CCCCC3)ccc2-c2ccc(C#C[Si](C)(C)C)cc2)c(C2CCCNC2)c1,ZDDFZASAXNFYBN-UHFFFAOYSA-N
rxn:5:180421:225810:226183,COc1ccc(-c2cc(CC3CCCCC3)ccc2-c2cnccc2C2CCCCC2)c(C2OCCO2)c1,CYFBPVXSVKRVEE-UHFFFAOYSA-N
rxn:5:180421:226343:225932,CN(C)c1ccc(-c2ccc(CC3CCCCC3)cc2-c2ccc(OC3CCOC3)cc2)cc1C(F)(F)F,RGTRQIUUMBUASZ-UHFFFAOYSA-N
rxn:5:180506:228180:225618,COCc1cc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cccc(OC3CCCCO3)c2)ccc1F,ZQXGYNHLQBCEFQ-UHFFFAOYSA-N
rxn:5:180506:228407:225613,COc1ccc(F)c(F)c1-c1cc(C(C)(C)C)cc(C2OCCO2)c1-c1ccnc(OC2CCCCC2)c1,DRHZFMJUSZNLGV-UHFFFAOYSA-N
rxn:5:180506:228454:226836,COc1cc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2-c2cn(C(C)C)nc2C(F)(F)F)c(OC)nn1,GJAYMDISXOKPRV-UHFFFAOYSA-N
rxn:5:180602:225655:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2O1,XLNHOYCNFXCMCD-UHFFFAOYSA-N
rxn:5:180602:225834:226644,COC(=O)C1Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2O1,HZXNFGBUJCCWKG-UHFFFAOYSA-N
rxn:5:180602:225976:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,XOUIEJMNJJBWLY-UHFFFAOYSA-N
rxn:5:180602:226395:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2O1,ZDQYANSNYNKIEA-UHFFFAOYSA-N
rxn:5:180602:226794:223064,COC(=O)C1Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,RNZSJQZISZTVRT-UHFFFAOYSA-N
rxn:5:180662:225812:226597,COC(=O)C1=Cc2cc(-c3cc(F)c(OC(C)C)c(F)c3)cc(-c3cc(C)c(F)c(OC(C)C)c3F)c2OC1,ZZBIWCAOMGVMKK-UHFFFAOYSA-N
rxn:5:182010:225937:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cc(C(F)(F)F)ncc2C(C)C)c1,YEKHQPDAISXKQW-UHFFFAOYSA-N
rxn:5:182011:226597:225607,CC(C)Oc1c(F)cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C(C)N3CCCCC3)s2)cc1F,AKQASSOYFYEJRH-UHFFFAOYSA-N
rxn:5:182950:225832:225976,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(cc1-c1ccnc(N3CCOCC3)c1F)OCCC2=O,VNOQUBGIJZHQIR-UHFFFAOYSA-N
rxn:5:182954:225832:226835,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cc(C(F)(F)F)nn2C(C)C)cc2c(c1C)COC2=O,DRXSBISMBJRIRI-UHFFFAOYSA-N
rxn:5:183061:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(c(-c3c(C)nn(C4CCCCO4)c3C)c1)CC(C)C2=O,BBSPAJGCOJGGJC-UHFFFAOYSA-N
rxn:5:183217:225832:223389,Cc1n[nH]c(C(F)(F)F)c1-c1cc2c(c(-c3c(C)nn(C4CCCCO4)c3C)c1)OC(C)(C)CC2=O,WCMGXODXMDNLEG-UHFFFAOYSA-N
rxn:5:183217:226028:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(c(-c3ccc(C(F)(F)F)c(C#N)c3F)c1)OC(C)(C)CC2=O,HAOGGNVPTKCWTR-UHFFFAOYSA-N
rxn:5:188253:226837:226837,COC(=O)c1cc(C#N)cc(-c2c(C)nn(CC(F)(F)F)c2C)c1-c1c(C)nn(CC(F)(F)F)c1C,QUBCRHNRZQFMSK-UHFFFAOYSA-N
rxn:5:188616:226835:226835,CCOc1cc(-c2cc(C(F)(F)F)nn2C(C)C)c(-c2cc(C(F)(F)F)nn2C(C)C)cc1[N+](=O)[O-],YJOYLAAMVKKEMI-UHFFFAOYSA-N
rxn:5:189207:223144:227501,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCC(O)C3)cc2)ccc1-c1ccc(C=C[N+](=O)[O-])cc1,DBKOFSQCUPGBDG-UHFFFAOYSA-N
rxn:5:189207:223310:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(NC3CC3)cc2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,ZUHQLROLFPURSQ-UHFFFAOYSA-N
rxn:5:189207:225514:223389,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C(=O)ON1C(=O)CCC1=O,QXUHYVUVOBGXCX-UHFFFAOYSA-N
rxn:5:189207:226185:227528,COC(=O)c1ccc(-c2ccc(-c3ccc(C4CCOCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cc1F,ZDJFBCQAQKVWHS-UHFFFAOYSA-N
rxn:5:189207:226186:228340,COc1nc(C2CC2)sc1-c1ccc(-c2ccccc2C2CCOCC2)cc1C(=O)ON1C(=O)CCC1=O,ROMPOFHWHBDODQ-UHFFFAOYSA-N
rxn:5:189207:226415:227095,O=C1CC(c2ccc(-c3ccc(-c4ccccc4N4CCOCC4)cc3C(=O)ON3C(=O)CCC3=O)cc2)C1,KHLNYJSUKYPPBW-UHFFFAOYSA-N
rxn:5:189207:226600:225703,CCOc1c(F)c(C)cc(-c2ccc(-c3ccc4sc(C(=O)OC)cc4c3)c(C(=O)ON3C(=O)CCC3=O)c2)c1F,ZKDAEIQYDUFVHH-UHFFFAOYSA-N
rxn:5:189207:226652:227679,Cc1cc(-c2ccc(-c3ccc4c(c3)OC(F)(F)O4)c(C(=O)ON3C(=O)CCC3=O)c2)n(C2CCCCO2)n1,ICFCNJOFNPJVNW-UHFFFAOYSA-N
rxn:5:189207:226738:228079,CC(=O)c1ccc(-c2ccc(-c3cccc4c3COC4=O)c(C(=O)ON3C(=O)CCC3=O)c2)c([N+](=O)[O-])c1,WENOUVJGRHHIJU-UHFFFAOYSA-N
rxn:5:189207:227183:225584,CN1Cc2cc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)c(C(=O)ON4C(=O)CCC4=O)c3)ccc2C1=O,QSCYICSKUKVNRL-UHFFFAOYSA-N
rxn:5:189207:227203:227568,COc1cc(F)c(-c2ccc(-c3ccc4c(c3)OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c(OC)c1,VUZKOIQARUMSMO-UHFFFAOYSA-N
rxn:5:189207:227205:226765,COC(=O)c1ccc(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)c(F)c1F,IDRWTNJCIVQWHS-UHFFFAOYSA-N
rxn:5:189207:227205:227528,COC(=O)c1ccc(-c2ccc(-c3cccc4c3OCCCO4)cc2C(=O)ON2C(=O)CCC2=O)cc1F,LCLVSUUIDQNLGZ-UHFFFAOYSA-N
rxn:5:189207:227207:225450,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc3c2OCCC3=O)ccc1-c1ccc(C(=O)C2CCCC2)cc1,BBGNFJNHPHPSLG-UHFFFAOYSA-N
rxn:5:189207:227613:227352,COC(=O)c1ccc(C)cc1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C(=O)ON1C(=O)CCC1=O,VSDARWNLEAJKTK-UHFFFAOYSA-N
rxn:5:189207:227679:228499,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)ON1C(=O)CCC1=O,DBDKDDVZNUBDFP-UHFFFAOYSA-N
rxn:5:189207:227802:227206,Cc1c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2C(=O)ON2C(=O)CCC2=O)ccc2c1COC2=O,XYIGIVPFABYJDV-UHFFFAOYSA-N
rxn:5:189207:228151:226064,COC(=O)c1cccc(-c2ccc(-c3ccc(C4CCCCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)c1,SFILSRLFPPQWTR-UHFFFAOYSA-N
rxn:5:189207:228501:228501,Cn1ncc(-c2ccc(-c3cnn(C)c3C(F)(F)F)c(C(=O)ON3C(=O)CCC3=O)c2)c1C(F)(F)F,GMTLMDLOWCWOLV-UHFFFAOYSA-N
rxn:5:189207:228894:222994,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1cccc(N2CCC(O)CC2)c1,KNLJRFICLAAHKI-UHFFFAOYSA-N
rxn:5:189208:223191:227816,CCCc1ccc(-c2cc(-c3ccc(S(=O)(=O)NC)c(F)c3)ccc2C(=O)ON2C(=O)CCC2=O)c(C)c1,RHVYHPUGFUSTIG-UHFFFAOYSA-N
rxn:5:189208:223438:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cn[nH]c2C(F)(F)F)ccc1C(=O)ON1C(=O)CCC1=O,IRWATZNNPCQABX-UHFFFAOYSA-N
rxn:5:189208:225436:229091,CC(=O)c1occc1-c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1C(=O)ON1C(=O)CCC1=O,OVHXCKRCFVWGLJ-UHFFFAOYSA-N
rxn:5:189208:225871:226319,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)cc1-c1ccc(C(=O)N2CCC2)cc1,JHFVLZRZSQXKGY-UHFFFAOYSA-N
rxn:5:189208:225873:227203,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)cc1-c1ccc2c(c1)OCCCO2,WNDVTEBQVOBYJO-UHFFFAOYSA-N
rxn:5:189208:226413:226333,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3)c2)cc1-c1cccc(C(=O)N2CCC2)c1,MMYHTRXTSPHZGM-UHFFFAOYSA-N
rxn:5:189208:226969:225616,O=C1CCCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C(=O)N4CCCC4)c3)ccc21,AFQPCYAOPNUHET-UHFFFAOYSA-N
rxn:5:189208:226969:226155,CC(=O)c1cc(-c2cc(-c3ccc4c(c3)CCCC4=O)ccc2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)c1,NPUDXXXKHIDTBE-UHFFFAOYSA-N
rxn:5:189208:227103:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2sccc2C2CCCCC2)cc1-c1cccc(C=C[N+](=O)[O-])c1,CQRKBEUVMGKUQC-UHFFFAOYSA-N
rxn:5:189208:227197:225616,CN1Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccccc4C(=O)N4CCCC4)c3)cc2C1=O,GEDBSJIAYNFOOJ-UHFFFAOYSA-N
rxn:5:189208:227203:227544,COC(=O)c1ccc(F)cc1-c1cc(-c2ccc3c(c2)OCCCO3)ccc1C(=O)ON1C(=O)CCC1=O,UNHPTONAHSGJDI-UHFFFAOYSA-N
rxn:5:189208:227203:227779,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1-c1cc([N+](=O)[O-])cc(F)c1F,ZXQPWIVAGJTZOV-UHFFFAOYSA-N
rxn:5:189208:227679:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1-c1cccc(C=C[N+](=O)[O-])c1,ZZALFUNOHSSYCA-UHFFFAOYSA-N
rxn:5:189208:227679:227679,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1-c1ccc2c(c1)OC(F)(F)O2,YGAXLDGQRYGHTA-UHFFFAOYSA-N
rxn:5:189208:227918:226413,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(SC3CC3)cc2)cc1-c1cccc(N2CCOCC2)c1,FCNWNRUVIWLVGE-UHFFFAOYSA-N
rxn:5:189208:228149:226064,COC(=O)c1ccccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(C3CCCCC3)cc2)c1,UJWWHGYBZVRAQC-UHFFFAOYSA-N
rxn:5:189208:228653:226845,COc1ncc(C(F)(F)F)cc1-c1cc(-c2cnn3c2CCCC3)ccc1C(=O)ON1C(=O)CCC1=O,NBOVIAWNKUTORB-UHFFFAOYSA-N
rxn:5:189208:228698:226084,CCC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)C(=O)CCCC4)c2)s1,HUPUPKRZKWVDPW-UHFFFAOYSA-N
rxn:5:189208:229089:225622,CC(=O)c1sccc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccccc2OC2CCCCO2)c1,LVOLJNQKKJANRP-UHFFFAOYSA-N
rxn:5:189208:229091:225623,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2cccc(OC3CCOCC3)c2)c1,YMTPCCGDOFFMAZ-UHFFFAOYSA-N
rxn:5:189208:229091:225881,CC(=O)c1occc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(C3CCOCC3)nc2F)c1,QDZSINPJDUWZTG-UHFFFAOYSA-N
rxn:5:189209:226084:227047,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(SC3CCC3)c2)cc(-c2ccc3c(c2)C(=O)CCCC3)c1,MMIUBZRLSDZSHX-UHFFFAOYSA-N
rxn:5:189209:226411:226969,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(N3CCOCC3)cc2)cc(-c2ccc3c(c2)CCCC3=O)c1,UVTVREWREIRESL-UHFFFAOYSA-N
rxn:5:189209:227065:225871,CC(C)C(=O)c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cccc(N4C(=O)C=CC4=O)c3)c2)c1,GJKDBYOGABCCSY-UHFFFAOYSA-N
rxn:5:189210:223389:227610,Cc1n[nH]c(C(F)(F)F)c1-c1cccc(-c2ccn(C3CCCCO3)n2)c1C(=O)ON1C(=O)CCC1=O,HTMJIXJYHRGXRO-UHFFFAOYSA-N
rxn:5:189210:225832:227610,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccn(C3CCCCO3)n2)c1C(=O)ON1C(=O)CCC1=O,QPUDAERJXXVDCX-UHFFFAOYSA-N
rxn:5:189210:225832:227679,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1C(=O)ON1C(=O)CCC1=O,UBYKQHYIXINCTR-UHFFFAOYSA-N
rxn:5:189210:225871:229090,CC(=O)c1cc(-c2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2C(=O)ON2C(=O)CCC2=O)cs1,MNCYKCFVYXWMIV-UHFFFAOYSA-N
rxn:5:189210:225946:227203,CC(=O)c1cc(-c2cccc(-c3ccc4c(c3)OCCCO4)c2C(=O)ON2C(=O)CCC2=O)cc(C(F)(F)F)c1,CRZNPEUZTQXOPL-UHFFFAOYSA-N
rxn:5:189210:226049:228079,O=C1OCc2c1cccc2-c1cccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1C(=O)ON1C(=O)CCC1=O,UFCSKEABVBVHMT-UHFFFAOYSA-N
rxn:5:189210:226183:228866,COCc1noc(C)c1-c1cccc(-c2cnccc2C2CCCCC2)c1C(=O)ON1C(=O)CCC1=O,PAQLFFCRKSLHLY-UHFFFAOYSA-N
rxn:5:189210:228079:225679,O=C1OCc2c1cccc2-c1cccc(-c2ccc(N3CCCCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,JKXBUEDQHABRAJ-UHFFFAOYSA-N
rxn:5:189210:228174:227656,CC(=O)Oc1ccc(-c2cccc(-c3cc(N4CCOCC4)cs3)c2C(=O)ON2C(=O)CCC2=O)cc1,WJBIWEWRPSDTMR-UHFFFAOYSA-N
rxn:5:189210:228872:227449,COC(=O)c1sccc1-c1cccc(-c2ccc(C3CCOCC3)s2)c1C(=O)ON1C(=O)CCC1=O,AYBMPSKJKMRFOI-UHFFFAOYSA-N
rxn:5:189211:225702:226411,COC(=O)n1c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc(N3CCOCC3)cc2)cc2ccccc21,GWVSRICNYBJVMI-UHFFFAOYSA-N
rxn:5:189211:226319:226332,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(=O)N3CCC3)cc2)c1-c1ccccc1C(=O)N1CCC1,QAFUAHBFQUJUMR-UHFFFAOYSA-N
rxn:5:189211:226411:227095,O=C1CC(c2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(N4CCOCC4)cc3)cc2)C1,ACLBPXKBWGYTMR-UHFFFAOYSA-N
rxn:5:189211:226415:228079,O=C1OCc2c1cccc2-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1N1CCOCC1,FZXZRQKHLPIVFS-UHFFFAOYSA-N
rxn:5:189211:226769:228071,COC(=O)c1cc(F)c(F)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cccc3c2OCCO3)c1,GQLOIFOXULBBHE-UHFFFAOYSA-N
rxn:5:189211:227446:226411,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3OCCO3)cc2)c1-c1ccc(N2CCOCC2)cc1,OPNHLXFLYJSSMV-UHFFFAOYSA-N
rxn:5:189211:227501:227093,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1-c1cccnc1C1CCCC1,OHZOVXQXTCBBHG-UHFFFAOYSA-N
rxn:5:189211:228245:226469,CC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc3c(c2)N(C)C(=O)CO3)cc1F,LTBPFGUZXOJGMG-UHFFFAOYSA-N
rxn:5:189211:228397:226464,COc1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2c(OC)ccc3c2OCCO3)cc(F)c1F,WPGZVWHGOSLUCK-UHFFFAOYSA-N
rxn:5:189211:228579:225656,Cc1ccc(C#N)c(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cncc(N3CCCCC3C)c2)c1,QZYLWWFDEPZXQS-UHFFFAOYSA-N
rxn:5:189211:229091:225832,CC(=O)c1occc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1c(C)nn(C2CCCCO2)c1C,IDCGWFZPOHEXHI-UHFFFAOYSA-N
rxn:5:189212:225451:228079,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc3c2COC3=O)c(-c2ccc(SC3CCCCC3)cc2)c1,WAHPWEKNPGYHIP-UHFFFAOYSA-N
rxn:5:189212:225871:228603,CC(=O)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(N3C(=O)C=CC3=O)c2)c1,PSUATCRXGSYWQZ-UHFFFAOYSA-N
rxn:5:189212:225926:226411,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(N3CCOCC3)cc2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1,CRPWIXTUKGKVLM-UHFFFAOYSA-N
rxn:5:189212:225943:228078,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)COC3=O)c(-c2ccc(C(=O)N3CCOCC3)s2)c1,SFTURBFIXIMGDC-UHFFFAOYSA-N
rxn:5:189212:226146:225871,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2ccc(SC3CCCC3)cc2)c1,FTPJYIAIBKRIQY-UHFFFAOYSA-N
rxn:5:189212:226155:226980,CC(=O)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc3c2C(=O)CCC3)cc(C2CC2)c1,CHSKPUSGIBQIOA-UHFFFAOYSA-N
rxn:5:189212:226186:228077,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)C(=O)OC3)c(-c2ccccc2C2CCOCC2)c1,MXDDSWVZHZFDBN-UHFFFAOYSA-N
rxn:5:189212:226187:227872,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)CCC3=O)c(-c2cccc(C3CCOCC3)c2)c1,BMIDVAVKKDMYQI-UHFFFAOYSA-N
rxn:5:189212:226332:227446,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3OCCO3)cc2)c(-c2ccccc2C(=O)N2CCC2)c1,ZKGXEVGIYQZHRR-UHFFFAOYSA-N
rxn:5:189212:226333:227505,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c(-c2cccc(C(=O)N3CCC3)c2)c1,FZCLKNFOCOIXOD-DTQAZKPQSA-N
rxn:5:189212:226782:228066,COC(=O)c1cc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OCCO3)cc1F,REBVKEFNTWISDM-UHFFFAOYSA-N
rxn:5:189212:227033:222958,Cc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(C3CC3)c(C#N)c2)cc1C1CCNCC1,BXUWIJFJZYNHRN-UHFFFAOYSA-N
rxn:5:189212:227103:226969,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc3c(c2)CCCC3=O)c(-c2sccc2C2CCCCC2)c1,UUYGUHGEAKLZQR-UHFFFAOYSA-N
rxn:5:189212:227103:227507,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)c(-c2sccc2C2CCCCC2)c1,HFRFWFCFYVKVIQ-UHFFFAOYSA-N
rxn:5:189212:227187:226899,CN1Cc2c(cccc2-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O,AQQMITAOQMFPQO-UHFFFAOYSA-N
rxn:5:189212:227329:227390,COc1ccc(C(C)=O)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccnn1C1CCCCC1,HNMTXGQPRWSMQL-UHFFFAOYSA-N
rxn:5:189212:227342:227679,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc3c(c2)OC(F)(F)O3)cc1C,PJWGDYFJIGNUBV-UHFFFAOYSA-N
rxn:5:189212:227679:227095,O=C1CC(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3ccc4c(c3)OC(F)(F)O4)cc2)C1,RVNBEMPVCAAPAI-UHFFFAOYSA-N
rxn:5:189212:227825:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc(C3CCC3)c2)c1,IZUKRUGTYUBIMH-UHFFFAOYSA-N
rxn:5:189212:228079:225873,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(-c2cccc3c2COC3=O)c1,ZLUSUZGDLLRMKF-UHFFFAOYSA-N
rxn:5:189322:225449:223018,CC(C)(C)OC(=O)c1cc(-c2cccc(OC3CCCCC3)c2)cnc1-c1ccc2c(c1)NC(=O)C(C)(C)O2,AMQYREZAIVXXDX-UHFFFAOYSA-N
rxn:5:189540:223010:226186,COC1CN(Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2ccccc2C2CCOCC2)C1,VHKYCGZKTNGHOB-UHFFFAOYSA-N
rxn:5:189540:225514:223010,COC1CN(Cc2cc(-c3cccc4c3OCC3(CC3)CO4)ccc2-c2ccc(C3(O)CCOCC3)cc2)C1,OPVGBXVRQBYKMS-UHFFFAOYSA-N
rxn:5:189540:226191:225978,COC1CN(Cc2cc(-c3cc(C4CCCC4)ccc3F)ccc2-c2ccc(N3CCOCC3)nc2F)C1,FETMOUHDAPANFM-UHFFFAOYSA-N
rxn:5:189540:226343:225671,COC1CN(Cc2cc(-c3ccc(OC4CCOC4)cc3)ccc2-c2cc(C3CCCCC3)ncc2F)C1,RBVXHIBYFQIRBV-UHFFFAOYSA-N
rxn:5:189667:226900:226211,CC(=O)N1CCc2cc(-c3cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c4ccc(S(F)(F)(F)(F)F)cc4)c3)ccc21,OMBNQBZVPFKWGQ-WLRKOEMGSA-N
rxn:5:189672:222981:226778,COc1cc(-c2c(/C=N/S(=O)C(C)(C)C)cccc2-c2ccnc(NC3CCCCC3)c2)c(F)c(F)c1OC,XVQOAPRCNZUJHR-FABQOPTDSA-N
rxn:5:189718:225661:227691,COc1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc(N3CCOCC3)cc2C)ccc1[N+](=O)[O-],CQUBJLCFJBNJFX-UHFFFAOYSA-N
rxn:5:189826:226837:228496,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn(CC(F)(F)F)c2)ccc1CC(=O)N1CCOCC1,FMNFSPWFXIYJOB-UHFFFAOYSA-N
rxn:5:189826:228071:225926,O=C(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1-c1cccc2c1OCCO2)N1CCOCC1,KNFYXJMVMINBAL-UHFFFAOYSA-N
rxn:5:189827:225702:225871,COC(=O)n1c(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cccc(N3C(=O)C=CC3=O)c2)cc2ccccc21,QRJFQMLVWRSHPY-UHFFFAOYSA-N
rxn:5:189829:227766:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC2)cc(-c2cc(C(F)(F)F)nn2CC)c1OC,CVIDHYLABGYICZ-UHFFFAOYSA-N
rxn:5:189952:225976:225976,COc1c(-c2ccnc(N3CCOCC3)c2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,QCXZWCIGSYMQFF-UHFFFAOYSA-N
rxn:5:189952:228491:226605,COc1c(-c2cc(F)c(OC(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cn(C)c(=O)n(C)c1=O,JSKUPELUTYDFBX-UHFFFAOYSA-N
rxn:5:189952:228653:226772,COC(=O)c1cc(F)c(-c2cc(C(=O)N3CCOCC3)cc(-c3cnn4c3CCCC4)c2OC)c(F)c1,SUYHPIZPOUUYII-UHFFFAOYSA-N
rxn:5:190000:227091:225598,O=C(Cc1ccc(-c2cccc(CN3CCSCC3)c2)cc1-c1cncc(C2CCCC2)c1)N1CCCCC1,LENVPBDUPLDWBU-UHFFFAOYSA-N
rxn:5:190001:223389:227766,CCn1nc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1c(C)n[nH]c1C(F)(F)F,NTMVMRFAJIZAOZ-UHFFFAOYSA-N
rxn:5:190001:226864:227206,Cc1c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(F)c(OC(F)F)c(F)c2)ccc2c1COC2=O,LBUXTOLPNAZHEE-UHFFFAOYSA-N
rxn:5:190097:226464:222991,COc1ccc2c(c1-c1ccc(-c3ccc(N4CCCC(O)C4)cc3)c(CCN3CCCCC3)c1)OCCO2,MMHSLRNMQOIAQR-UHFFFAOYSA-N
rxn:5:190128:223251:225937,COC1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCC(=O)N4)c(-c3cc(C(F)(F)F)ncc3C(C)C)c2)CC1,STJUHDZHFBJKDI-UHFFFAOYSA-N
rxn:5:190128:226333:227316,COC1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCC4)c3)c(-c3cc(F)nc(CC(C)C)c3)c2)CC1,FDIFRQTXLSIWSV-UHFFFAOYSA-N
rxn:5:190128:227568:225884,COc1cc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(C3COCCO3)c(F)c2)c(OC)c1,RWDYPFKKVNVWRF-UHFFFAOYSA-N
rxn:5:190131:226572:228322,CCOc1ncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(OC4CCCC4)nc3)c2OC)cc1F,IXQSTJPHSZKJNP-UHFFFAOYSA-N
rxn:5:190132:227446:226371,COC1CCN(C(=O)c2ccc(-c3ccc(C4OCCO4)cc3)cc2-c2cnc(N3CCCC3)cc2C)CC1,PGLJYIHCNUGKRI-UHFFFAOYSA-N
rxn:5:190194:226037:228677,COc1c(C(F)(F)F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnn(CC(C)C)c2)c1F,UUKVCPUNKXPROP-UHFFFAOYSA-N
rxn:5:190194:226197:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCOC3)cc2)cc(F)c1OC,VAVYMLJLBHBXPN-UHFFFAOYSA-N
rxn:5:190194:226464:225514,COc1ccc2c(c1-c1cccc(CN3CCC(OC)CC3)c1-c1cccc3c1OCC1(CC1)CO3)OCCO2,JOTFNYDTVQEGTL-UHFFFAOYSA-N
rxn:5:190194:227562:226186,COc1ccc(F)c(-c2cccc(CN3CCC(OC)CC3)c2-c2ccccc2C2CCOCC2)c1OC,WBBRLFOEOSIENM-UHFFFAOYSA-N
rxn:5:190195:225833:227379,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccnc2N2CCCC2)c1)C1CCOCC1,ALXLLKWJSRTYQF-UHFFFAOYSA-N
rxn:5:190196:225819:223231,CNC(=O)c1ccc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2CN(C)C2CCOCC2)cc1C,RCJGIXYPUGBAJU-UHFFFAOYSA-N
rxn:5:190197:226600:225449,CCOc1c(F)c(C)cc(-c2cc(-c3cccc(OC4CCCCC4)c3)ccc2CN(C)C2CCOCC2)c1F,CNTRJYGPEOCTST-UHFFFAOYSA-N
rxn:5:190199:223065:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCNCC2)cc1F)C1CCOCC1,CTMQIRRKHGJZIB-UHFFFAOYSA-N
rxn:5:190199:226571:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnn(CC2CCOCC2)c1)C1CCOCC1,IYCSAAUYOVHSJW-UHFFFAOYSA-N
rxn:5:190200:225620:223252,CN(Cc1cc(-c2ccc(OC3CCOCC3)cc2)cc(-c2cc(F)c3c(c2)NCCO3)c1)C1CCOCC1,FHUZSCCDYPSAPH-UHFFFAOYSA-N
rxn:5:190200:227759:223056,COc1c(F)cc(F)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2)c1F,QHAPDBLWWXNYMG-UHFFFAOYSA-N
rxn:5:190200:228346:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(=O)OC)sc2C)c1,VDQCGQUMTUOGHV-UHFFFAOYSA-N
rxn:5:190201:226335:225594,CC1CN(CCc2cc(-c3ccc(C4COC4)c(C#N)c3)ccc2-c2ccc(F)cc2CN2CCCC2)CCO1,NDJCYWARMAQEER-UHFFFAOYSA-N
rxn:5:190231:226645:223113,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,VEONQIXHISMSOI-UHFFFAOYSA-N
rxn:5:190231:226887:228755,COc1cncc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(F)c(C(F)(F)F)c3F)c2OC)c1C,IUIGBOGWHRALQX-UHFFFAOYSA-N
rxn:5:190231:227326:227062,CCOc1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cc(C(=O)OC)ccc3C)c2OC)c(C)c1C,GXDGSCHLLFPPQP-UHFFFAOYSA-N
rxn:5:190264:229048:226835,CC1CCN(C(=O)Cc2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c(-c3cnn4c3CCC4)c2)CC1,ZVNTUUPHDWIRQN-UHFFFAOYSA-N
rxn:5:190264:229049:226054,CC1CCN(C(=O)Cc2ccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)c(-c3cnc4n3CCC4)c2)CC1,HEFGCUPTJWYGHE-UHFFFAOYSA-N
rxn:5:190265:226573:227316,Cc1nc(OC(C)(C)C)ncc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(F)nc(CC(C)C)c1,IJHCXPPXGZIZJJ-UHFFFAOYSA-N
rxn:5:190265:226900:228970,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(F)(F)F)s3)c(-c3ccc(S(F)(F)(F)(F)F)cc3)c2)C1,QTPRQXZYEJTGEM-UHFFFAOYSA-N
rxn:5:190265:227563:226901,CC1CCCN(C(=O)Cc2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(-c3cccc(CC(F)(F)F)c3)c2)C1,FKUYVLLXFLBTQC-UHFFFAOYSA-N
rxn:5:190299:223284:227506,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2)C1=O,KVJMZBRVFBVFSW-UEZLBFOBSA-N
rxn:5:190299:223284:227507,COc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1C=C1SC(=O)N(c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2)C1=O,KVJMZBRVFBVFSW-UHFFFAOYSA-N
rxn:5:190299:227506:223284,COc1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)C1=O,OSINVLIXCIJROR-UEZLBFOBSA-N
rxn:5:190299:227506:223285,COc1ccc(-c2cccc(/C=C/[N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccccc3NS(C)(=O)=O)cc2)C1=O,IQXOJJKNKLLGPD-UEZLBFOBSA-N
rxn:5:190299:227507:223284,COc1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)C1=O,OSINVLIXCIJROR-UHFFFAOYSA-N
rxn:5:190299:227507:223285,COc1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1C=C1SC(=O)N(c2ccc(-c3ccccc3NS(C)(=O)=O)cc2)C1=O,IQXOJJKNKLLGPD-UHFFFAOYSA-N
rxn:5:190335:227717:227711,COc1c(-c2ccc(F)c(OC(F)F)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccc(F)cc1OC(F)F,OUVPJYAGYPAODP-UHFFFAOYSA-N
rxn:5:190335:228712:227055,COc1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccnn3C3CCC3)c2OC)cc1C1CC1,QTMJMYYGLUVTJM-UHFFFAOYSA-N
rxn:5:190336:228866:227766,CCn1nc(C(F)(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2c(COC)noc2C)c1OC,AEPPVHNEOIUEFX-UHFFFAOYSA-N
rxn:5:190336:228997:225594,CCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(F)cc3CN3CCCC3)c2OC)cn1,VEQGHAOVZBECMX-UHFFFAOYSA-N
rxn:5:190337:223389:228680,CCCn1nc(C)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2c(C)n[nH]c2C(F)(F)F)c1OC,YZKJLSIXVMVGHR-UHFFFAOYSA-N
rxn:5:190353:226211:225441,CC(=O)N1CCc2cc(-c3ccc(-c4cc(C5CC5)cnc4C(C)(C)C)c(C(=O)N4CCC(c5ccccc5)C4)c3)ccc21,RETRSKSGUYZSCN-UHFFFAOYSA-N
rxn:5:190404:225451:226028,N#Cc1c(C(F)(F)F)ccc(-c2ccccc2C2CCN(C(=O)c3ccc(-c4ccc(SC5CCCCC5)cc4)o3)CCS2)c1F,MGLPDTKNAWQVIL-UHFFFAOYSA-N
rxn:5:190484:225679:226446,Cc1nc(C2CCOC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3ccc(N4CCCCC4)cc3F)c2)CCS1(=O)=O,VPWZBJLUONQHDI-UHFFFAOYSA-N
rxn:5:190484:226901:228513,O=C(c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1)N1CCC(c2ccccc2-c2ccccc2C2CC2)S(=O)(=O)CC1,BAKJTRCJIIRRMG-UHFFFAOYSA-N
rxn:5:190711:223008:225798,CCOC(=O)c1c(-c2ccc(OC3CCOCC3)nc2)c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2n1C,GOZOJKQIHNKABF-UHFFFAOYSA-N
rxn:5:190740:225633:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCCCCC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,JALVGVHSCPJLDK-UHFFFAOYSA-N
rxn:5:190740:225833:225655,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1cncc(N2CCC(C)CC2)c1,YHWMTYAUENJTNY-UHFFFAOYSA-N
rxn:5:190741:223062:225655,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,HNOWWCLNMFEOAO-UHFFFAOYSA-N
rxn:5:190742:223061:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1cc(N2CCCCC2)ncc1F,GQXRXNSHSHVWGZ-UHFFFAOYSA-N
rxn:5:190742:225590:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCCC4)c(F)c3)c2c1-c1ccc(C2CCOCC2)nc1F,MGBZYBPGMGRAQZ-UHFFFAOYSA-N
rxn:5:190743:225655:223063,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,RZAXRHZLZZQQFF-UHFFFAOYSA-N
rxn:5:190743:225655:225976,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,VSBFSNXDTOGKJL-UHFFFAOYSA-N
rxn:5:190744:223065:225633,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,JQEBBVQVQRVKAE-UHFFFAOYSA-N
rxn:5:190744:225978:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XARYNNFNWDJSOO-UHFFFAOYSA-N
rxn:5:190832:223056:225834,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1cc(N2CCCCC2)ncc1F,KOOOMFAHRALACR-UHFFFAOYSA-N
rxn:5:190998:225834:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,ZFIIERDEENRXKO-UHFFFAOYSA-N
rxn:5:190998:225849:226664,COC(=O)c1cc(-c2cc(N3CCCC3)ncc2F)ccc1N1Cc2cc(-c3cnc(N4CCCCC4)cc3F)ccc2OCC1=O,CAEPYLKDRFRFSO-UHFFFAOYSA-N
rxn:5:190998:225980:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2OCC1=O,WLYDEOHBZYJUFH-UHFFFAOYSA-N
rxn:5:190998:225982:226395,COC(=O)c1cc(-c2cncc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2OCC1=O,QAAFQPZXDYWZAX-UHFFFAOYSA-N
rxn:5:190998:226679:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1N1Cc2cc(-c3cnc(N4CCCC4)cc3F)ccc2OCC1=O,IEVJGLXUVBYLAZ-UHFFFAOYSA-N
rxn:5:190998:226794:225982,COC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1N1Cc2cc(-c3cnc(N4CCSCC4)nc3)ccc2OCC1=O,DLBHJUPMSUKFSQ-UHFFFAOYSA-N
rxn:5:190998:228197:223142,COC(=O)c1cc(-c2ccc(C3CCCNC3)nc2)ccc1N1Cc2cc(-c3cnc(C(C)(C)C)nc3)ccc2OCC1=O,UIZXPCSXTDZMJS-UHFFFAOYSA-N
rxn:5:192234:226054:225935,COc1c(-c2cc(C(C)C)nc(C(F)(F)F)c2)cc(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc1S(N)(=O)=O,KJUSAMOFLLCFCG-UHFFFAOYSA-N
rxn:5:192572:225456:223010,CN1CCC(c2ccc(-c3ccc(C(=O)N4CCC4)c(-c4ccc(C5(O)CCOCC5)cc4)c3)cc2)CC1,WTUUJPMTIDTDKE-UHFFFAOYSA-N
rxn:5:193151:225810:225928,COc1ccc(-c2c(CN3CCCC3)cccc2-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c(C2OCCO2)c1,FAGZXRSAOWYCJR-UHFFFAOYSA-N
rxn:5:193225:225620:227102,CC(C)(C)c1ccc(F)c(-c2ccc(-c3ccc(OC4CCOCC4)cc3)cc2C(=O)N2CCOCC2)c1,WZXRJYLCBOWJQB-UHFFFAOYSA-N
rxn:5:193226:225655:226794,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3cnc(N4CCSCC4)nc3)c2)CC1,CCNVKWGYFVAPBW-UHFFFAOYSA-N
rxn:5:193226:225881:226645,O=C(c1ccc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,JTRNLCIMXJSNRK-UHFFFAOYSA-N
rxn:5:193226:225976:226644,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cncc(N3CCOCC3)c2)c1)N1CCOCC1,IEBXFPAYADZRFH-UHFFFAOYSA-N
rxn:5:193226:225976:226645,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,QUFUFEASSKQMFM-UHFFFAOYSA-N
rxn:5:193226:227316:225655,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2cncc(N3CCC(C)CC3)c2)cc(F)n1,YAXILCQBTOUZRT-UHFFFAOYSA-N
rxn:5:193226:227387:223061,O=C(c1ccc(-c2ccnc(N3CCCC3)c2)c(-c2cc(C3CCNCC3)ncc2F)c1)N1CCOCC1,TXGOXGNYTRBBQV-UHFFFAOYSA-N
rxn:5:193227:225466:225987,CC1CCCCN1c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2)cc1,SROZRSOTQNNSJE-UHFFFAOYSA-N
rxn:5:193229:226899:226899,O=C(c1cccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1,CHOMVGDHDIEFED-UHFFFAOYSA-N
rxn:5:193229:227316:225976,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccnc(N3CCOCC3)c2F)cc(F)n1,DGGWHFXBAPSSIT-UHFFFAOYSA-N
rxn:5:193230:223006:225976,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccnc(N2CCOCC2)c1F)N1CCOCC1,NOXSORFCMSZAPC-UHFFFAOYSA-N
rxn:5:193230:225834:226366,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccnc(N2CCCCC2)c1)N1CCOCC1,RNCMASBJNWOWCC-UHFFFAOYSA-N
rxn:5:193230:225978:223006,O=C(c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,YHYNTRNCNSGXDV-UHFFFAOYSA-N
rxn:5:193337:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CN4CCOCC4)c3)c2)CC1,YIYLEDIUJHHNES-UHFFFAOYSA-N
rxn:5:193382:225605:228366,Cc1cnc(OC2CCCC2)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(N(C)C)c(F)c3)c2)c1,GGKSYLHWMCDZNW-UHFFFAOYSA-N
rxn:5:193382:226050:226826,Cc1cc(-c2cc(-c3c(F)cc(OC(F)(F)F)cc3F)ccc2S(=O)(=O)N2CCOCC2)c(F)c(C(F)(F)F)c1,NGIZFZLSAKDZIC-UHFFFAOYSA-N
rxn:5:193382:226130:227561,COc1cc(F)c(-c2cc(-c3ccc(CN4CCCC4)cc3)ccc2S(=O)(=O)N2CCOCC2)cc1OC,KHHAJPHDTAKERF-UHFFFAOYSA-N
rxn:5:193382:226654:223388,CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(S(=O)(=O)O)cc4)c3)cs2)CC1,KBAUCGLXRSWPKI-UHFFFAOYSA-N
rxn:5:193382:226662:228695,CN(C)Cc1cc(-c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2S(=O)(=O)N2CCOCC2)cs1,DNNJXXHWGNSCFY-UHFFFAOYSA-N
rxn:5:193382:228501:226729,Cn1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(OC4CCOC4)nc3)c2)c1C(F)(F)F,PUXHQDCTXINUBV-UHFFFAOYSA-N
rxn:5:193463:227800:225986,O=C1CCN(Cc2ccc(-c3cc(F)nc(C(F)(F)F)c3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,ODDMSOSBMGVSRU-UHFFFAOYSA-N
rxn:5:193465:225986:227800,C[C@H]1CCCN1C(=O)c1cccc(-c2cc(F)nc(C(F)(F)F)c2)c1-c1ccccc1N1CCCS1(=O)=O,WNCVAEZSARMJES-KRWDZBQOSA-N
rxn:5:193465:226028:223251,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)OCC(=O)N3)c1-c1ccc(C(F)(F)F)c(C#N)c1F,KQTBDBHYGZMAJT-HNNXBMFYSA-N
rxn:5:193465:226045:226969,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)CCCC3=O)c1-c1ccc(C(F)(F)C(F)(F)F)nc1,YOBOXBYDQWVCDU-KRWDZBQOSA-N
rxn:5:193465:226164:226041,C[C@H]1CCCN1C(=O)c1cccc(-c2c([N+](=O)[O-])cccc2C(F)(F)F)c1-c1ccc(N2CCCCC2)cc1,JZQPNWRVUIAEST-FQEVSTJZSA-N
rxn:5:193465:226900:226189,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C3CCCC3)c(F)c2)c1-c1ccc(S(F)(F)(F)(F)F)cc1,SMLCGQWVPBPHBS-IBGZPJMESA-N
rxn:5:193465:226901:226164,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(N3CCCCC3)cc2)c1-c1cccc(S(F)(F)(F)(F)F)c1,AQJYAKOAEDAGPB-NRFANRHFSA-N
rxn:5:193465:227108:226042,C[C@H]1CCCN1C(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1cc(C2CCC2)ccc1F,NKIPRCVKEOCXOD-KRWDZBQOSA-N
rxn:5:193465:227782:225986,C[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2N2CCCS2(=O)=O)c1-c1ccc(C(F)(F)F)nc1F,JMVUGNTUCZMGTJ-KRWDZBQOSA-N
rxn:5:193466:225591:227524,COc1cc(-c2ccc(C(=O)N3CCC[C@H]3C)c(-c3cc(CN4CCCC4)ccc3F)c2)c(F)cc1C#N,LRFHMYOZZYKKRN-HXUWFJFHSA-N
rxn:5:193466:226146:226901,C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccc(SC2CCCC2)cc1,TUDPLSXDNRWFEU-HXUWFJFHSA-N
rxn:5:193467:225439:226901,CC(c1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)cc2C(=O)N2CCC[C@@H]2C)c1)N1CCCC1,KVIDJJIBXXSDGS-HMTLIYDFSA-N
rxn:5:193467:225926:226469,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)N(C)C(=O)CO3)ccc1-c1ccc(S(=O)(=O)N2CCC2)cc1,IXNYUJWFLBXVMW-FQEVSTJZSA-N
rxn:5:193467:226041:226969,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCCC3=O)ccc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,ATRFRBLCMFLQTJ-KRWDZBQOSA-N
rxn:5:193467:226054:226969,C[C@H]1CCCN1C(=O)c1cc(-c2ccc3c(c2)CCCC3=O)ccc1-c1cnc(C(F)(F)C(F)(F)F)nc1,OQSCCICDKSLHKI-INIZCTEOSA-N
rxn:5:193467:226826:226059,Cc1cc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C(=O)N2CCC[C@@H]2C)c(F)c(C(F)(F)F)c1,YCNQVNBKSLYKOC-NRFANRHFSA-N
rxn:5:193467:226867:226319,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(=O)N3CCC3)cc2)ccc1-c1c(F)cccc1OC(F)(F)F,CSCBWWXUUDXYTF-SFHVURJKSA-N
rxn:5:193467:226899:226739,CC(=O)c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C(=O)N3CCC[C@@H]3C)c2)cc1[N+](=O)[O-],FTMBSGYJBBLNCN-HNNXBMFYSA-N
rxn:5:193467:227501:225926,C[C@H]1CCCN1C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc1-c1ccc(C=C[N+](=O)[O-])cc1,LRHGTRPBNMWXSU-NRFANRHFSA-N
rxn:5:193467:227746:225583,C[C@H]1CCCN1C(=O)c1cc(-c2cccc(C(=O)N3CCCC3)c2)ccc1-c1cccc(C(F)(F)F)c1F,ZLDYTCMGTBQUQU-IBGZPJMESA-N
rxn:5:193468:225616:226899,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2C(=O)N2CCCC2)cccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],UGEFPDUUWVIJBX-IBGZPJMESA-N
rxn:5:193468:225616:227750,C[C@H]1CCCN1C(=O)c1c(-c2ccccc2C(=O)N2CCCC2)cccc1-c1cccc(F)c1C(F)(F)F,OIFNJUNIOFNHPR-IBGZPJMESA-N
rxn:5:193468:225815:227095,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CC(=O)C3)cc2)cccc1-c1ccc(C2CC2)cc1C(F)(F)F,ZRGOMTSBBFJQAA-IBGZPJMESA-N
rxn:5:193468:225816:227066,C[C@H]1CCCN1C(=O)c1c(-c2cccc(C(=O)C3CC3)c2)cccc1-c1cc(C2CC2)ccc1C(F)(F)F,PBEUYTBXEFNWLB-IBGZPJMESA-N
rxn:5:193468:225817:227095,C[C@H]1CCCN1C(=O)c1c(-c2ccc(C3CC(=O)C3)cc2)cccc1-c1ccc(C(F)(F)F)c(C2CC2)c1,JPFQXKOSLWFVLB-IBGZPJMESA-N
rxn:5:193468:226069:226742,C[C@H]1CCCN1C(=O)c1c(-c2cccc(C3CCCCC3)c2)cccc1-c1ccc(C#N)cc1C(F)(F)F,GXUACVVBNMJQPM-NRFANRHFSA-N
rxn:5:193469:225584:227785,C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1-c1ccc(F)nc1C(F)(F)F,LUFMAAQYWDMLPH-GOSISDBHSA-N
rxn:5:193506:222418:225987,NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)cc1,AHSPDPFRQOLUOV-UHFFFAOYSA-N
rxn:5:193506:223389:227626,Cc1n[nH]c(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(C3CCOC3)nc2)c1,FGPBQFGBSKCTMA-UHFFFAOYSA-N
rxn:5:193506:226415:228149,COC(=O)c1ccccc1-c1cc(-c2ccccc2N2CCOCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,XVCMCLJDVACRRM-UHFFFAOYSA-N
rxn:5:193506:226652:229197,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C(F)F)c3)c2)n(C2CCCCO2)n1,TVFMWQLFNYCUHQ-UHFFFAOYSA-N
rxn:5:193506:226744:228653,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn4c3CCCC4)c2)cnc1C(F)(F)F,VVWYLBMEZVSUQI-UHFFFAOYSA-N
rxn:5:193506:227205:227735,Cc1ncc(-c2cc(-c3cccc4c3OCCCO4)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C(F)(F)F,NLRSQCOSFBGLEI-UHFFFAOYSA-N
rxn:5:193506:227390:228306,CC(C)Sc1ncc(-c2cc(-c3ccnn3C3CCCCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cn1,YQTMMWGHWJVYEU-UHFFFAOYSA-N
rxn:5:193506:227663:228193,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnn(C4CCCC4)c3)c2)cc1C(F)(F)F,ZTSPRLUDSSLTSS-UHFFFAOYSA-N
rxn:5:193506:227786:228199,Cc1nn(C2CCC2)cc1-c1cc(-c2cnc(F)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,SQCPICZVXPMOSF-UHFFFAOYSA-N
rxn:5:193506:227896:226900,N#CC=Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c1,URDJEYYXBYYGKR-UHFFFAOYSA-N
rxn:5:193506:228079:225926,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3COC4=O)cc2-c2ccc(S(=O)(=O)N3CCC3)cc2)CC1,CWTRGUSHVSDYJS-UHFFFAOYSA-N
rxn:5:193506:228149:226415,COC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccccc2N2CCOCC2)c1,LZQUYLRABUBZEH-UHFFFAOYSA-N
rxn:5:193506:228717:227279,Cc1nn(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(C3CC3)nn2C(C)C)c1,XFVCXUSWJKORHT-UHFFFAOYSA-N
rxn:5:193506:228878:226837,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2cnn(C3COC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,HFHXPLQIVQYZPZ-UHFFFAOYSA-N
rxn:5:193537:226027:226464,COc1ccc2c(c1-c1cccc(CN3CCCCC3)c1-c1ccc(F)c(S(=O)(=O)N(C)C)c1)OCCO2,FVTWZNSIOKKVBK-UHFFFAOYSA-N
rxn:5:193540:226464:226027,COc1ccc2c(c1-c1ccc(CN3CCCCC3)c(-c3ccc(F)c(S(=O)(=O)N(C)C)c3)c1)OCCO2,MWJMKHYRGIMOON-UHFFFAOYSA-N
rxn:5:193542:226836:227766,CCn1nc(C(F)(F)F)cc1-c1c(CN2CCCCC2)cccc1-c1cn(C(C)C)nc1C(F)(F)F,DACXVFJWVCEEMG-UHFFFAOYSA-N
rxn:5:193598:225987:223384,CNC(=O)c1ccc(-c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2C(=O)N2CCOC(C)C2)cn1,LRAJCZSXGDVYTN-UHFFFAOYSA-N
rxn:5:193652:226042:227804,O=C1OC(c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)=NC1=Cc1ccc(-c2cc([N+](=O)[O-])sc2[N+](=O)[O-])cc1,LRQLTLZASTWFPM-UHFFFAOYSA-N
rxn:5:193652:227432:225832,Cc1nc(C2COC2)ccc1-c1ccc(C2=NC(=Cc3ccc(-c4c(C)nn(C5CCCCO5)c4C)cc3)C(=O)O2)cc1,KHGAAGBHQXNNOX-UHFFFAOYSA-N
rxn:5:193681:225453:227561,COc1cc(F)c(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2OC2CCN(C)CC2)cc1OC,OPFXIGPFXSTDPJ-UHFFFAOYSA-N
rxn:5:193681:227540:225452,COc1c(F)cc(SC)cc1-c1ccc(-c2ccc(OC3C=CCCC3)cc2)c(OC2CCN(C)CC2)c1,UAMJUMGRYFTHHA-UHFFFAOYSA-N
rxn:5:193748:225684:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3ccc(C4CCOCC4)nc3C)cc2C(=O)N2CCCC(C)C2)c1,KHAANHPLGKONOB-UHFFFAOYSA-N
rxn:5:193750:226158:225597,CC1CCN(C(=O)c2cc(-c3ccccc3N3CCCCC3)ccc2-c2ccc(OC3CCCCC3)nc2)CC1,SIAMXCFGUHTLQI-UHFFFAOYSA-N
rxn:5:193751:227685:226319,CC1CCCN(C(=O)c2cc(-c3ccc(C(=O)N4CCC4)cc3)ccc2-c2ccc(C#N)c([N+](=O)[O-])c2)C1,DMIORUIRRDLXOG-UHFFFAOYSA-N
rxn:5:193752:226729:226756,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2cnc(OC3CCOC3)nc2)ccc1C(F)(F)F,YAPWMEIPBSURJS-UHFFFAOYSA-N
rxn:5:193756:227745:226900,CC1CCCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,UDUQJXIVWDVHPH-UHFFFAOYSA-N
rxn:5:193807:226464:226464,COc1ccc2c(c1-c1cccc(CN3CCC(C)CC3)c1-c1c(OC)ccc3c1OCCO3)OCCO2,DWRWAXGUKFQLEH-UHFFFAOYSA-N
rxn:5:193809:225798:227306,Cc1nc(OC(C)C)ccc1-c1cc(-c2ccc(OC3CCOCC3)nc2)ccc1CN1CCC(C)CC1,WNUABLCWNPPWPQ-UHFFFAOYSA-N
rxn:5:193809:226464:225456,COc1ccc2c(c1-c1ccc(CN3CCC(C)CC3)c(-c3ccc(C4CCN(C)CC4)cc3)c1)OCCO2,FOVZEKMQWBVQRQ-UHFFFAOYSA-N
rxn:5:193809:227540:225623,COc1c(F)cc(SC)cc1-c1ccc(CN2CCC(C)CC2)c(-c2cccc(OC3CCOCC3)c2)c1,XEDLZFDNBQVFKQ-UHFFFAOYSA-N
rxn:5:193869:223138:227026,Cc1cc(-c2ccnc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C#N)c(C2CC2)c1,YCLMZKSSIVOSQP-UHFFFAOYSA-N
rxn:5:193869:226837:228501,Cc1cc(-c2c(C)nn(CC(F)(F)F)c2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnn(C)c1C(F)(F)F,SDCBBVDXKLSAPO-UHFFFAOYSA-N
rxn:5:193869:227283:223284,Cc1cc(-c2cc(C#N)nc(C3CC3)c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(NS(C)(=O)=O)cc1,DFCZUCWQNHUEHD-UHFFFAOYSA-N
rxn:5:193870:225633:229062,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C#N)n2C)cc1-c1ccc(N2CCCCCC2)nc1,ZJPGEOSQRMRAEB-UHFFFAOYSA-N
rxn:5:193870:225928:228865,CCOc1cnc(-c2cc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c(C)cc2S(=O)(=O)N2CCCCC2)cn1,QGHHZGNFEBAHSV-UHFFFAOYSA-N
rxn:5:193870:226129:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cccc(CN4CCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,SIPBJNCTBSLDOP-UHFFFAOYSA-N
rxn:5:193870:226729:228366,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N(C)C)c(F)c2)cc1-c1cnc(OC2CCOC2)nc1,VLYCXUUKOXAFHQ-UHFFFAOYSA-N
rxn:5:193870:227610:223388,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(S(=O)(=O)O)cc2)cc1-c1ccn(C2CCCCO2)n1,QKVNKMFHAIMEOC-UHFFFAOYSA-N
rxn:5:193870:228366:225784,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(CN3CCOCC3)nc2)cc1-c1cnc(N(C)C)c(F)c1,TVSXEDUEUKVMAO-UHFFFAOYSA-N
rxn:5:193871:226901:226175,Cc1cc(N2CCCC2)ccc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccc(S(F)(F)(F)(F)F)c1,YBWLMRLCAKSQIY-UHFFFAOYSA-N
rxn:5:193912:225814:226060,O=C1CS(=O)C(c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2)C(=O)N1c1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc1,XZJLIXGJJSHWEK-UHFFFAOYSA-N
rxn:5:193967:223137:228272,COc1c(C)ccc(-c2cc(-c3cncc(C4CCCNC4)c3)ccc2CN2CCC3(CC2)OCCO3)c1F,JZYXFTIEHJDXCX-UHFFFAOYSA-N
rxn:5:193967:223362:226758,COc1ccc(-c2cc(-c3ccc(/C(C)=N/O)cc3)ccc2CN2CCC3(CC2)OCCO3)cc1C(F)(F)F,BDHWFVUFGABWKY-QXUDOOCXSA-N
rxn:5:193967:226464:223203,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc(C4(O)CCC4)c3)c1)OCCO2,RTUKVWRHECEUTA-UHFFFAOYSA-N
rxn:5:193967:226464:225593,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(F)cc(CN4CCCC4)c3)c1)OCCO2,MYBXTSKLLBIPRO-UHFFFAOYSA-N
rxn:5:193967:226464:227205,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3OCCCO4)c1)OCCO2,GPZSOOKKUKQGEL-UHFFFAOYSA-N
rxn:5:193967:226464:227868,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)OCCC4)c1)OCCO2,OVQWFCJLNUFETP-UHFFFAOYSA-N
rxn:5:193967:226464:228071,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3cccc4c3OCCO4)c1)OCCO2,UOILUTWRHJBBLV-UHFFFAOYSA-N
rxn:5:193967:226464:228529,COc1ccc2c(c1-c1ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc4c(c3)CCO4)c1)OCCO2,RPSCQFMJORWEHQ-UHFFFAOYSA-N
rxn:5:193967:226919:227291,CN(C)Cc1ccc(-c2cc(-c3cccc(C4CCCC4)c3)ccc2CN2CCC3(CC2)OCCO3)cc1F,RGKKOWTVOUDRRN-UHFFFAOYSA-N
rxn:5:193967:226946:226464,COc1ccc2c(c1-c1cc(-c3ccc4c(c3)CCN(C)C4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,MEDNLGTYAFGJNZ-UHFFFAOYSA-N
rxn:5:193967:226971:228186,COc1c(SC)cccc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,YMSSDKLNVJGCLZ-UHFFFAOYSA-N
rxn:5:193967:226971:228456,COc1nc(SC)ncc1-c1cc(-c2ccc3c(c2)CCCOC3)ccc1CN1CCC2(CC1)OCCO2,JCUMHEONQNYAAK-UHFFFAOYSA-N
rxn:5:193967:227205:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,SHNGBJHQEPMUJB-UHFFFAOYSA-N
rxn:5:193967:227997:227705,COc1cc(C(F)F)ncc1-c1cc(-c2cc(C3CC3)ccc2F)ccc1CN1CCC2(CC1)OCCO2,KDYMLBJOOSHRGE-UHFFFAOYSA-N
rxn:5:193967:228071:226464,COc1ccc2c(c1-c1cc(-c3cccc4c3OCCO4)ccc1CN1CCC3(CC1)OCCO3)OCCO2,STHATFNQNPTTCF-UHFFFAOYSA-N
rxn:5:193968:223065:228764,COc1nccc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2CN2CCC3(CC2)OCCO3)c1C,FQIMGKKFQHNSSJ-UHFFFAOYSA-N
rxn:5:193968:225590:228157,COc1ccc(-c2ccc(-c3ccc(CN4CCCC4)c(F)c3)cc2CN2CCC3(CC2)OCCO3)c(OC)c1,HGGOZJYZUXXISH-UHFFFAOYSA-N
rxn:5:193968:226464:222995,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCCC(O)C4)c3)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,QEPSALXSWHOTIB-UHFFFAOYSA-N
rxn:5:193968:226464:223143,COc1ccc2c(c1-c1ccc(-c3cccc(N4CCC(O)C4)c3)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,RHAFMZAKOPBJOQ-UHFFFAOYSA-N
rxn:5:193968:226464:226907,COc1ccc2c(c1-c1ccc(-c3cccc4c3CCC43CC3)c(CN3CCC4(CC3)OCCO4)c1)OCCO2,RJNRAGXWWMRVET-UHFFFAOYSA-N
rxn:5:193968:226946:226464,COc1ccc2c(c1-c1ccc(-c3ccc4c(c3)CCN(C)C4)cc1CN1CCC3(CC1)OCCO3)OCCO2,AXCMTJJPQIHGKS-UHFFFAOYSA-N
rxn:5:193968:227126:228186,COc1c(SC)cccc1-c1ccc(-c2ccc(C3CCOC3)cc2)cc1CN1CCC2(CC1)OCCO2,XMOXITOVXIGPKG-UHFFFAOYSA-N
rxn:5:193968:227205:226464,COc1ccc2c(c1-c1ccc(-c3cccc4c3OCCCO4)cc1CN1CCC3(CC1)OCCO3)OCCO2,FPKKCHNLCGONAV-UHFFFAOYSA-N
rxn:5:193968:227404:228256,COc1cc(-c2ccc(-c3cc(N4CCCCC4)cs3)cc2CN2CCC3(CC2)OCCO3)cc(C)c1F,GQYLBACNJUCVTD-UHFFFAOYSA-N
rxn:5:193968:228411:227080,COc1ccc(-c2ccc(-c3cccc(N4CCCC4)c3)c(CN3CCC4(CC3)OCCO4)c2)c(F)c1F,PMGRGQHXJCQJRY-UHFFFAOYSA-N
rxn:5:193972:227371:225446,COc1c(C)ccc(-c2cc(C)c(-c3cc(C)cc(OC4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1OC,NIOCDXBEGZTNKI-UHFFFAOYSA-N
rxn:5:193972:228195:226836,Cc1cc(-c2cn(C(C)(C)C)nc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cn(C(C)C)nc1C(F)(F)F,UAXXNTVENRDNKM-UHFFFAOYSA-N
rxn:5:194399:226576:226839,CN(C)C(=O)c1cc(-c2ccc(C(=O)N3CC4CC4C3)cc2-c2cc(C(F)(F)F)ncc2C#N)ccc1F,FANHUVDXJKXZAK-UHFFFAOYSA-N
rxn:5:194399:227412:223010,CC(C)(C)c1cc(F)c(-c2ccc(C(=O)N3CC4CC4C3)cc2-c2ccc(C3(O)CCOCC3)cc2)cn1,ZGZCWYJHVNXJIE-UHFFFAOYSA-N
rxn:5:194733:223451:225945,O=C(c1cc(-c2ccccc2)ccc1-c1ccc(C#CC(F)(F)F)c(F)c1)N1C2CCC1CC(=C1CC1)C2,XKFIZBQKZYFGAL-UHFFFAOYSA-N
rxn:5:194733:225671:228781,O=C(c1cc(-c2cc(C3CCCCC3)ncc2F)ccc1-c1ccc(C(F)F)cc1)N1C2CCC1CC(=C1CC1)C2,CKXDMGVDKCGMSX-UHFFFAOYSA-N
rxn:5:194733:226900:229289,Cc1cscc1-c1ccc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C(=O)N1C2CCC1CC(=C1CC1)C2,YFNCPTUYUQBAGU-UHFFFAOYSA-N
rxn:5:194733:226901:227749,O=C(c1cc(-c2cccc(S(F)(F)(F)(F)F)c2)ccc1-c1cc(F)cc(C(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,RFDKCJLUPYQJNR-UHFFFAOYSA-N
rxn:5:194733:227450:228982,C#Cc1ccc(-c2ccc(-c3cccc(C4CC4(F)F)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cc1,FCIMRSVUFZRDMM-UHFFFAOYSA-N
rxn:5:194733:227590:228980,C#Cc1cccc(-c2ccc(-c3ccc(CC(F)(F)F)cc3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1,XURQHNWNBMISOO-UHFFFAOYSA-N
rxn:5:194733:227894:228243,CC(=O)c1cccc(-c2ccc(-c3cccc(/C=C/C#N)c3)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c1F,KBTWRRJQEZKPPA-GQCTYLIASA-N
rxn:5:194733:227897:226901,N#CC=Cc1cccc(-c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)c1,PPGVEXZCXZSSHQ-UHFFFAOYSA-N
rxn:5:194733:228114:228278,COc1cc(-c2ccc(-c3cc(F)c(C)cc3OC)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1C#N,PJXHDYFZBHQUGJ-UHFFFAOYSA-N
rxn:5:194733:228282:227894,CC(F)(F)c1ccccc1-c1ccc(-c2cccc(/C=C/C#N)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,JTIRAEWSSKCHOB-FNORWQNLSA-N
rxn:5:194733:228434:226901,O=C(c1cc(-c2ccc(C(F)F)c(F)c2)ccc1-c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC(=C1CC1)C2,GCWJUACFOFZJLZ-UHFFFAOYSA-N
rxn:5:194733:228530:227552,O=C(c1cc(-c2ccc3c(c2)OCC3)ccc1-c1ccccc1CC(F)(F)F)N1C2CCC1CC(=C1CC1)C2,NUVAJNOEOAJVAH-UHFFFAOYSA-N
rxn:5:194733:228846:227894,Cc1cc(-c2ccc(-c3cccc(/C=C/C#N)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc(F)c1F,SUKKJWNLOGLMFP-HWKANZROSA-N
rxn:5:194767:228417:227301,CN(C)Cc1cc(F)ccc1-c1ccc(-c2ccc(F)c(C(F)F)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,ASWKHHUMQGKGMS-UHFFFAOYSA-N
rxn:5:194786:225611:226600,CCOc1c(F)c(C)cc(-c2ccc(-n3c(-c4ccc(-c5ccc(N6CCCC6)cc5OC)cc4)cc4c3CC(C)(C)CC4=O)cc2)c1F,BZFTYMOHCJWESV-UHFFFAOYSA-N
rxn:5:194791:225577:225675,N#Cc1cc(N2CCCC2)ccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cccc(-c5cccc(F)n5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,YMJCKUSAAOZKBJ-UHFFFAOYSA-N
rxn:5:194792:226900:228525,O=C1C2C(c3ccc(-c4ccc(S(F)(F)(F)(F)F)cc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc(-c2cc3ccccc3s2)cc1,VWDKQFHCSXGOEC-UHFFFAOYSA-N
rxn:5:194792:228194:226594,Cc1nn(C(C)C)c(C)c1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5c(F)cc(OC(C)C)cc5F)cc4)C(=O)C23)cc1,PXAPSFWCXHQHGH-UHFFFAOYSA-N
rxn:5:194792:228211:227453,Cc1ccc(-c2ccc(-c3ccc(N4C(=O)C5C(c6ccc(-c7cc(N8CCCC8)cs7)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)s2)s1,HQWKNJJXGXQRHN-UHFFFAOYSA-N
rxn:5:194792:228269:228617,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6c(C)cccc6OC)cc5)C(=O)C34)cc2)c(F)cc1C,WPHWNCJNRIWYMZ-UHFFFAOYSA-N
rxn:5:196198:222994:225871,O=C1C=CC(=O)N1c1cccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2cccc(N3CCC(O)CC3)c2)c1,WNOCPRVKJPHAMP-UHFFFAOYSA-N
rxn:5:196198:225871:226415,O=C1C=CC(=O)N1c1cccc(-c2ccc(N3C(=O)C=CC3=O)cc2-c2ccccc2N2CCOCC2)c1,HPYLRZGKCNXREZ-UHFFFAOYSA-N
rxn:5:196408:225925:225849,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1C1=NOCCO1,IRZAMIVNAGVBFW-UHFFFAOYSA-N
rxn:5:196533:225832:227766,CCn1nc(C(F)(F)F)cc1C1CC(=O)N(c2ccc(-c3c(C)nn(C4CCCCO4)c3C)cc2)C1=O,OKBZQUBBJLMZJH-UHFFFAOYSA-N
rxn:5:196622:225832:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2c(C)nn(C3CCCCO3)c2C)cccc1N1CCCC1=O,CXDYROGRHDPYEK-UHFFFAOYSA-N
rxn:5:196622:226837:226686,Cc1cnn(C2CCCCO2)c1-c1c(-c2c(C)nn(CC(F)(F)F)c2C)cccc1N1CCCC1=O,VNDKCTGPCJZKNK-UHFFFAOYSA-N
rxn:5:196789:225605:226331,Cc1cnc(OC2CCCC2)c(-c2ccc(N3CCOCC3=O)c(-c3ccc(C4(C#N)CC4)cc3F)c2)c1,PDMPSCCDIOSNRF-UHFFFAOYSA-N
rxn:5:196789:226679:223061,O=C1COCCN1c1ccc(-c2cnc(N3CCCC3)cc2F)cc1-c1cc(C2CCNCC2)ncc1F,AXUVVLFJXOSYIF-UHFFFAOYSA-N
rxn:5:196790:225450:225871,O=C(c1ccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)ccc2N2CCOCC2=O)cc1)C1CCCC1,GZVOKYTUQWAJBI-UHFFFAOYSA-N
rxn:5:196791:226679:223061,O=C1COCCN1c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,DFBCECYMVFOSOI-UHFFFAOYSA-N
rxn:5:196792:226364:226428,CC1CCCCN1c1csc(-c2ccc(-c3ccc(N4CCCCC4)nc3)c(N3CCOCC3=O)c2)c1,GGGNCJSZTSIEMI-UHFFFAOYSA-N
rxn:5:196793:225616:226415,O=C(c1ccccc1-c1ccc(N2CCOCC2=O)cc1-c1ccccc1N1CCOCC1)N1CCCC1,CZKMXLSVJHAROL-UHFFFAOYSA-N
rxn:5:196916:226686:225832,Cc1cnn(C2CCCCO2)c1-c1cc(-c2c(C)nn(C3CCCCO3)c2C)ccc1N1CCCCC1=O,YHRVMCHLDAQOHO-UHFFFAOYSA-N
rxn:5:196916:226686:227684,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(CC3OCCO3)c2)ccc1N1CCCCC1=O,YVNHMKPUISCFNF-UHFFFAOYSA-N
rxn:5:196917:225976:225462,CC1CCN(c2cccc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C4=NC(C)(C)CO4)c3)c2)CC1,UXIZJOBPFXHEJA-UHFFFAOYSA-N
rxn:5:196918:226901:225819,O=C1CCCCN1c1cccc(-c2cccc(S(F)(F)(F)(F)F)c2)c1-c1cc(C(F)(F)F)ccc1C1CC1,BKSJVGQBNMZIKU-UHFFFAOYSA-N
rxn:5:196923:226900:225438,CC(c1ccc(-c2cc(N3CCCCC3=O)ccc2-c2ccc(S(F)(F)(F)(F)F)cc2)cc1)N1CCCC1,DBJPPASSSBGFDE-UHFFFAOYSA-N
rxn:5:197526:226035:226158,COc1ccc(C(F)(F)F)c(F)c1-c1ccc2c(c1-c1ccccc1N1CCCCC1)C(=O)CN2C(C)=O,FMUWZBSXUPFVTC-UHFFFAOYSA-N
rxn:5:197526:226746:225940,CCc1cnc(C(F)(F)F)cc1-c1ccc2c(c1-c1cc(C(F)(F)F)cnc1C1CC1)C(=O)CN2C(C)=O,RVROMABIQVSXEE-UHFFFAOYSA-N
rxn:5:197876:225454:228155,COc1ccc(-c2cc3c(cc2-c2ccc(C4=CCN(C)CC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC,POTDFLGLQZPDCM-UHFFFAOYSA-N
rxn:5:197876:226835:227965,Cc1ccnc(C(C)C)c1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,PELGKJNMMFJPSK-UHFFFAOYSA-N
rxn:5:197876:227766:226652,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C)nn1C1CCCCO1)C(=O)N(C(C)(C)C)S2(=O)=O,GMKZGCFMWVKZRF-UHFFFAOYSA-N
rxn:5:197876:228499:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(C(F)(F)F)nn1C)S(=O)(=O)N(C(C)(C)C)C2=O,UTHPXHOLGJHWNP-UHFFFAOYSA-N
rxn:4:202228:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,ZGDIZUSSEYAPJN-DIVCQZSQSA-N
rxn:4:202228:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,QRDLLHCIVBFNCK-YHBQERECSA-N
rxn:4:214894:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,BCOZLCWDKLGKNA-UHFFFAOYSA-N
rxn:4:219155:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(C)cn5)C4)c3)c(F)c2)CC1,OAGPYBODYXXNSY-QMTVDAOTSA-N
rxn:4:219155:223728,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(C)cn5)C4)c3)c(F)c2)CC1,OAGPYBODYXXNSY-UHFFFAOYSA-N
rxn:4:221960:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)cc2)CC1,ZMVFWZVCACUWHO-DIVCQZSQSA-N
rxn:4:173572:223892,CN1CCN(CCCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,AVYVJCXSHZFETH-UHFFFAOYSA-N
rxn:4:173606:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)CC)cc(C2CCCNC2)n1,QYXHXCMSNQHKBC-UHFFFAOYSA-N
rxn:4:174496:223892,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1,JNTRKAAOMFJOAW-UHFFFAOYSA-N
rxn:4:174567:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(C)=O)cc(C2CCCNC2)n1,VIEFHKJSQIUBRA-UHFFFAOYSA-N
rxn:4:185222:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)OCc4ccccc4)c(N4CCCC4)c3)c2)CC1,YVEJPRHTAJUVQF-UHFFFAOYSA-N
rxn:4:201989:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)c(F)c2)CC1,YGRNAVRHCXHKIA-HCGLCNNCSA-N
rxn:4:202122:223846,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cc(C)cc(C2CC3CCC2(C)C3(C)C)c1,RTRAUDDISDNTQY-UHFFFAOYSA-N
rxn:4:204063:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3C)cc2)CC1,ULVRNYYSMWJGBZ-MCZWQBSQSA-N
rxn:4:204070:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)c(F)c2)CC1,CWAMYSNRDAHZOG-SOAUALDESA-N
rxn:4:204720:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)cc2)CC1,NXALURLERGMFCY-DUYHBEBVSA-N
rxn:4:207856:224494,CC(C)N1CCN(C2CCCc3cc(-c4ccc(CCOC5CCCCO5)cc4)ccc32)CC1,IBJVIJGZJDPBBU-UHFFFAOYSA-N
rxn:4:212748:223897,Cc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCOCC1,RNIOEWHQBWEPNZ-UHFFFAOYSA-N
rxn:4:213246:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)c(F)c2)CC1,AYOBKSRHSHWRBF-CCURTVBJSA-N
rxn:4:213978:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)cc2)CC1,AUELZWMLCGHCND-UHFFFAOYSA-N
rxn:4:214058:223666,COC1CCN(C2CCN(C(=O)c3cncc(-c4cccc(COc5ccc(OC(F)(F)F)cc5)c4)c3)CC2)CC1,ZRKUBBLDZBZVLX-UHFFFAOYSA-N
rxn:4:214064:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,AUALINAIGDILKO-SOAUALDESA-N
rxn:4:214079:223725,CCCCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(F)c2)cc1,SYWOEQMEZVDBKB-UHFFFAOYSA-N
rxn:4:214082:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,AMWCJXJDVMJPQS-WXUXXXNLSA-N
rxn:4:214082:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,HDTRNTJAPKBLRR-UHFFFAOYSA-N
rxn:4:219517:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C5CCN(C)C5=O)C4)nc3)cc2)CC1,BYOVAEOHRNZJID-YDKIDCQSSA-N
rxn:4:219551:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCN(C(C)C)C5=O)CC4)nc3)cc2)CC1,GTZOSDVUGMYLIS-BIBMFLLGSA-N
rxn:4:221492:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)cc2)CC1,MLJCXVBBCJWXBP-YHBQERECSA-N
rxn:4:173508:222621,COc1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)ccc1OCCOC1CCCCO1,RTZYBJGOVGGCNN-UHFFFAOYSA-N
rxn:4:173572:223895,CCN1CCN(CCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,KXKJSHFYIOQEGZ-UHFFFAOYSA-N
rxn:4:174568:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,NGPGYBJIOGJLAU-UHFFFAOYSA-N
rxn:4:175939:222615,COc1cc(COC2CCCCO2)ccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,KWSGMSQLAFPXKY-UHFFFAOYSA-N
rxn:4:200756:223847,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,RXFBQFNIBCRRTG-UHFFFAOYSA-N
rxn:4:201778:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(OCC(=O)N4CCN(C)CC4)c3)cc2)CC1,AUTREVROIXSRCC-YHBQERECSA-N
rxn:4:201956:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,SLBCMCNTAIQGIR-RQNOJGIXSA-N
rxn:4:202228:224061,CCCC1CCC(c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,QRDLLHCIVBFNCK-UHFFFAOYSA-N
rxn:4:202244:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)cc2)CC1,YUQYBXOBBNYLIY-OGESRWMOSA-N
rxn:4:202306:222621,CCN1CCN(Cc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)cc(C(C)(C)C)c2)CC1,CZGPNAJBJLGNCG-UHFFFAOYSA-N
rxn:4:202341:225555,CC(C)N1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,VFGILDMXERCGIW-UHFFFAOYSA-N
rxn:4:203955:224702,Cc1c(-c2cccc(C(=O)N3CCC(N(C)C)CC3)c2)cc(F)c(OC2CCCC2)c1F,XHDZDKCAUKDFPG-UHFFFAOYSA-N
rxn:4:203955:224744,CN(C)C1CCN(C(=O)c2cccc(-c3cc(Cl)c(C(=O)OC(C)(C)C)cc3F)c2)CC1,WHVJZQUECNTUGF-UHFFFAOYSA-N
rxn:4:207841:223497,CC(c1ccc(-c2ccc3scc(N4CCN(c5cccc(Cl)c5)CC4)c(=O)c3c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,QUFVQHZJKFOSGJ-UHFFFAOYSA-N
rxn:4:213243:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,CQBKVXNLKOYUIC-UHFFFAOYSA-N
rxn:4:213944:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4C)[nH]3)cc2)CC1,NWWRXGNXLHMWPY-NZIPKTCRSA-N
rxn:4:214082:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,PFEYKGUTNODHPS-UHFFFAOYSA-N
rxn:4:214896:223864,Cc1cc(-c2ccc(OCc3ccccc3)cc2C(C)C)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,SUJBZXNJQUIHHV-UHFFFAOYSA-N
rxn:4:173572:223893,CCN1CCN(CCOc2cccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)c2)CC1,CFMKFUAFVPKCFM-UHFFFAOYSA-N
rxn:4:173572:224194,CCN1CCN(Cc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2Cl)CC1,KKRWLTWEIJSCDB-UHFFFAOYSA-N
rxn:4:173572:224971,CN1CCN(Cc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,XPFMWNXUUMOTLE-UHFFFAOYSA-N
rxn:4:173607:222621,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,GFUJXZDOGRPJBS-UHFFFAOYSA-N
rxn:4:174488:222741,CCOC(=O)C(=CC1CCCCC1)c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,QCFHKNKRLYPMBS-UHFFFAOYSA-N
rxn:4:187577:223787,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc(N(C)C2CCCCC2)c1C,OWTZCCYIMWKAAT-UHFFFAOYSA-N
rxn:4:200745:223497,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C3=NOC(c4ccccn4)C3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,SWTMQFHQGRHASA-UHFFFAOYSA-N
rxn:4:200756:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,LLHSJJKUMYAELQ-YOCNBXQISA-N
rxn:4:201899:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(C)CC4)c3)c(F)c2)CC1,WCXDNGOVDXCRTL-YHBQERECSA-N
rxn:4:202122:225407,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(C2CCCCCC2)cc1,OXWCGIXRVIYHMS-UHFFFAOYSA-N
rxn:4:202239:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)c3)cc2)CC1,GGJAMWHWWVHBMR-UHFFFAOYSA-N
rxn:4:202240:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3)cc2)CC1,MTZOVKOWNGEKGM-UNWRIRMBSA-N
rxn:4:202274:223897,Cc1ccc(-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)cc1OCCCN1CCOCC1,KKBNQWGXZBHIBN-ZWXJPIIXSA-N
rxn:4:202306:223578,CCN1CCN(Cc2cc(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cc(C(C)(C)C)c2)CC1,YNTBOYPEKFROLO-UHFFFAOYSA-N
rxn:4:203935:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3OC)c(F)c2)CC1,PFLQOMMUMLZUTM-MEMLXQNLSA-N
rxn:4:204000:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)c(F)c2)CC1,XBZQEAIUMHGCIA-DUYHBEBVSA-N
rxn:4:204140:224022,CN1CCN(Cc2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc(C(C)(C)C)c2)CC1,PEZRNGIUFBIRJZ-UHFFFAOYSA-N
rxn:4:204150:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,BRGOETPUEWVSGZ-QVYRIUEQSA-N
rxn:4:207014:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,OPYJLZNGEMLQJL-SOAUALDESA-N
rxn:4:207840:223497,CC(c1ccc(-c2ccc3scc(N4CCN(c5ccccc5Cl)CC4)c(=O)c3c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,LPYFPAUYCDFMPN-UHFFFAOYSA-N
rxn:4:213246:223847,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,AOWJAOPQUCZQKU-UHFFFAOYSA-N
rxn:4:213684:223847,CCCCCC1CCC(c2ccc(-c3cnn(CC4CN(CC5CCCO5)C4)c3)cc2)CC1,SNJZALAKZWEWOG-UHFFFAOYSA-N
rxn:4:214058:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,KDOOHMNQRCDVBO-DIVCQZSQSA-N
rxn:4:214062:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,CJAXNAGBLAUALB-QVYRIUEQSA-N
rxn:4:218973:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5ncc(CC)cn5)CC4)c3)cc2)CC1,AZKVXBQRACCJPX-DIVCQZSQSA-N
rxn:4:221121:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,RXGGMTSMXAYEHG-OGESRWMOSA-N
rxn:4:221960:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)cc2)CC1,ZMVFWZVCACUWHO-UHFFFAOYSA-N
rxn:4:173555:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)COC(=O)c4ccc(C(C)(C)C)cc4)cc3)c2)CC1,QCZDIZYOQVYFLU-UHFFFAOYSA-N
rxn:4:173572:224570,CC(c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1)N1CCN(C)CC1,SMTUBDCGAHIAKF-UHFFFAOYSA-N
rxn:4:173623:222741,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OCC=C(C)C)cc12,YROWLEDIWODLGY-UHFFFAOYSA-N
rxn:4:176211:223892,CCOC(=O)CC1CCc2c(C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc21,QYFVSMXTMGBKRG-UHFFFAOYSA-N
rxn:4:187360:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN(C)C4CCOCC4)cc3OC)cc2)CC1,VVWFPOXKWMLGQL-YOCNBXQISA-N
rxn:4:200591:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)CC1,BDQONWRFRNUMDN-MCZWQBSQSA-N
rxn:4:200884:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,WZAZSUINUYDHRR-UNWRIRMBSA-N
rxn:4:201132:225447,COc1ccc2cc(-c3ccc(OC4CCCCC4)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,VMKRCQKRGVHACJ-UHFFFAOYSA-N
rxn:4:201939:223847,CCCCCC1CCC(c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(C)c3)cc2)CC1,IQKSONVFVTZGNS-UHFFFAOYSA-N
rxn:4:201957:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)N4CCN(CC)CC4)ccc3OC)cc2)CC1,RSIRILNVNMJTMX-UHFFFAOYSA-N
rxn:4:202243:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4ccccc4CN4CCN(C)CC4)c3)cc2)CC1,HTHYYUHGQRHXDO-OGESRWMOSA-N
rxn:4:202306:222539,CCN1CCN(Cc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc(C(C)(C)C)c2)CC1,XIXLDYZSCJLPGE-UHFFFAOYSA-N
rxn:4:204117:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,PAAQRUJIPHXJMP-DWPDUTPCSA-N
rxn:4:207037:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCCN(C)CC4)c3)cc2)CC1,YGLSDEBABHBPNJ-DUYHBEBVSA-N
rxn:4:213022:223892,CN1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)CC1,APYXWRTUUSSJLJ-UHFFFAOYSA-N
rxn:4:213292:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4C(=O)CC(N5CCN(CC=Cc6ccccc6)CC5)C4=O)cc3)cc2)CC1,IFULINMCUVUJFD-NSGDDVBOSA-N
rxn:4:214058:223664,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)c3)CC2)CC1,IBRSJNREPKNWGR-UHFFFAOYSA-N
rxn:4:214058:223728,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)c(F)c2)CC1,WEKSCGUIRUJTAN-UHFFFAOYSA-N
rxn:4:214062:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)cc2)CC1,RVFDVVVDHZMPMO-UHFFFAOYSA-N
rxn:4:214078:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)cc1,KTQPJFPPCMOMLS-UHFFFAOYSA-N
rxn:4:214078:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,WIENGXFNGIYUKD-UHFFFAOYSA-N
rxn:4:214082:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,UKEHZJPGTIZYEV-MCZWQBSQSA-N
rxn:4:214890:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,OBQMWGQFGJIIJA-MCZWQBSQSA-N
rxn:4:214900:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,MESZARMQWXNJKS-UHFFFAOYSA-N
rxn:4:215990:225427,CCCCOc1c(C)cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1C,RCNMJDVYSBSJIU-UHFFFAOYSA-N
rxn:4:218834:223753,Cc1ccc(-c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)o2)cc1OCCCN1CCN(C)CC1,TWZDLUAGLDJLFH-UHFFFAOYSA-N
rxn:4:221954:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(CC)no6)nn5)CC4)c3)cc2)CC1,DWQABMFHHCQXPI-DIVCQZSQSA-N
rxn:4:173641:222848,CCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,WMVLTPFJUAWOJM-UHFFFAOYSA-N
rxn:4:173643:222741,COC(=O)c1c(C)oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OCC(=O)C(C)(C)C)cc12,WDAZLYGZMGOPMY-UHFFFAOYSA-N
rxn:4:187916:224424,CCCC1CCC(c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)cc2)CC1,PGHWLRHZLDNMGW-UHFFFAOYSA-N
rxn:4:190367:223497,Cc1cc(CN(C)C2CCOCC2)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,YRXKPEIPNHSLDM-UHFFFAOYSA-N
rxn:4:200880:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,RZUSLBRLBRINDS-FBSWEULCSA-N
rxn:4:200895:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)cc2)CC1,HFSHGQKTPYGQKG-UHFFFAOYSA-N
rxn:4:201988:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OCC)cc2)CC1,DDDNYZUCHGMVKR-DIVCQZSQSA-N
rxn:4:202285:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(OC)CC4)c(N4CCCC4)c3)cc2)CC1,UYGOMDJPNHCUAC-UHFFFAOYSA-N
rxn:4:202306:222437,CCN1CCN(Cc2cc(-c3ccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc(C(C)(C)C)c2)CC1,MCODTVHAQPZUBS-UHFFFAOYSA-N
rxn:4:202341:225093,CCCOc1c(Cl)cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1OCC,ADXJFDHEMHKAMM-UHFFFAOYSA-N
rxn:4:202341:225430,CCCCOc1cc(C)c(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c(C)c1,OONNDQSHXJFUCN-UHFFFAOYSA-N
rxn:4:203991:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,OITLSLXDWKYTQJ-DUYHBEBVSA-N
rxn:4:204096:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)cc2)CC1,QVWGGVDYAXOSEA-BUZHSDJQSA-N
rxn:4:207890:225090,CCOCc1cc(OC)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c(OC)c1,DKKZRIUQUNTHSI-UHFFFAOYSA-N
rxn:4:212737:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,XHSNXADLOOUCTP-UNWRIRMBSA-N
rxn:4:213266:224424,CCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,KRDWIPSQKVNCCZ-UHFFFAOYSA-N
rxn:4:213795:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(CC5CCCOC5)C4)c3)cc2)CC1,YNGZMIWLRACPHB-RGSBCIAFSA-N
rxn:4:213978:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)cc2)CC1,KRQDYVMDFUYLDQ-RQNOJGIXSA-N
rxn:4:214049:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,JOBKRWTXVYVWTB-UHFFFAOYSA-N
rxn:4:214058:223625,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(COc5ccc(C(C)(C)C)cc5C)cc4)c3)CC2)CC1,QDNHEKYGGLYTGX-UHFFFAOYSA-N
rxn:4:214060:223847,CCCCCC1CCC(c2ccc(-c3cncc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)c3)cc2)CC1,PZBZKGXRGRVOQO-UHFFFAOYSA-N
rxn:4:214062:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,AAGIGRGSGHLODB-DIVCQZSQSA-N
rxn:4:214062:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,AAGIGRGSGHLODB-UHFFFAOYSA-N
rxn:4:214075:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)cc3)c(F)c2)CC1,KZHYSHSRMZKUJB-UHFFFAOYSA-N
rxn:4:214078:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,WIENGXFNGIYUKD-OGESRWMOSA-N
rxn:4:214894:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,MEEPUJVXSJARQF-SOAUALDESA-N
rxn:4:218769:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cc2)CC1,VAIVOLITFDKVQT-QVYRIUEQSA-N
rxn:4:221447:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)cc3)c(F)c2)CC1,NRBYGEYWVDINKD-KWQFAZJVSA-N
rxn:4:222126:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,LSKSCEPLPXNDLK-DUYHBEBVSA-N
rxn:4:222360:223846,COCCn1cnc2c(N3CCN(c4ncc(-c5cc(C)cc(C6CC7CCC6(C)C7(C)C)c5)cn4)CC3)ncnc21,BAFLPSXUKWTNGJ-UHFFFAOYSA-N
rxn:4:222542:204094,Cc1cc(CN2CCN(C(C)C)CC2)cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c1,PSOUQOVSRYDRAQ-UHFFFAOYSA-N
rxn:4:173550:224570,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3OC(F)(F)F)c2)cc1)N1CCN(C)CC1,CJZCYHLOQPCUPL-UHFFFAOYSA-N
rxn:4:173552:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(OC(F)(F)F)cc4)c3)c2)CC1,CVQFVTPTOMUIPB-UHFFFAOYSA-N
rxn:4:173623:224570,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(C)N4CCN(C)CC4)cc3)c(OCC=C(C)C)cc12,BDUBFFJPAYCRKO-UHFFFAOYSA-N
rxn:4:174520:224570,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(S(C)(=O)=O)c3)c2)cc1)N1CCN(C)CC1,ZXECAJDLKHWMKO-UHFFFAOYSA-N
rxn:4:174593:222741,COC(=O)c1c(C)oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,YRYVPKRJKSZRNV-UHFFFAOYSA-N
rxn:4:187916:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)cc2)CC1,LKRFBVUOFVFSGW-OSAIISKMSA-N
rxn:4:187916:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)c(F)c2)CC1,QIPBDNIQMRWWOL-XZJQCRQJSA-N
rxn:4:200592:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OCC)cc2)CC1,WCUWMPUQNDJQQQ-DIVCQZSQSA-N
rxn:4:200644:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(S(=O)(=O)N4CCN(CC)CC4)cc3OC)c(F)c2)CC1,DHWBVDKILUPMJT-HZCBDIJESA-N
rxn:4:202092:223743,Cc1ccc(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc1OCCCN1CCC(C)CC1,YLCVEFBMLDTBRN-UHFFFAOYSA-N
rxn:4:202122:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)cc2C)c1,XETSODCAOSOGAB-UHFFFAOYSA-N
rxn:4:202122:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)c(F)c2)CC1,WPSZGMLSOGLYLU-UHFFFAOYSA-N
rxn:4:202306:225456,CCN1CCN(Cc2cc(-c3ccc(C4CCN(C)CC4)cc3)cc(C(C)(C)C)c2)CC1,YKKNYDVHRHZKRI-UHFFFAOYSA-N
rxn:4:203919:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)cc2)CC1,KONVIEKPIOTPRH-UHFFFAOYSA-N
rxn:4:204720:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)c(F)c2)CC1,OIQGMXLBCNQYGZ-YOCNBXQISA-N
rxn:4:207794:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)cc2)CC1,VMIOIIKIFRCCSB-HCGLCNNCSA-N
rxn:4:207843:223564,CCN1CCN(C2CCCc3cc(-c4cc(C)c(COc5cc(OC)cc(OC)c5)c(C)c4)ccc32)CC1,OWZQCHHHYUCCOA-UHFFFAOYSA-N
rxn:4:213179:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)c3)cc2)CC1,MRSNNRCHSQYUKZ-UHFFFAOYSA-N
rxn:4:213214:224570,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(C)N4CCN(C)CC4)cc3)n2)CC1,RNTZBHWQORDVHM-UHFFFAOYSA-N
rxn:4:213265:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c(F)c2)CC1,DMKUTEQUUUMBAM-UHFFFAOYSA-N
rxn:4:214058:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)c(F)c2)CC1,PCSNQFJNYKZFOT-RQNOJGIXSA-N
rxn:4:214062:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)cc2)CC1,RVFDVVVDHZMPMO-MCZWQBSQSA-N
rxn:4:214762:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cn3)cc2)CC1,VVJFYDFHZYOTCS-YOCNBXQISA-N
rxn:4:214900:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,LTCZHKXYRUHQJE-UHFFFAOYSA-N
rxn:4:221193:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)c(F)c2)CC1,YZMBPTKEVQYZBI-JFJJZVRQSA-N
rxn:4:221193:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)CC1,OTJPMEKUYIQPJC-FITUOABBSA-N
rxn:4:221538:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,SVJGHBHNTSWNQF-WPAKUEFPSA-N
rxn:4:221952:223728,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)cc3)c(F)c2)CC1,YLCRIUARKLDRMK-UHFFFAOYSA-N
rxn:4:173551:224179,CN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)cc2)CC1,ZFVBPSSVIPQZJI-UHFFFAOYSA-N
rxn:4:173579:223892,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1,QLQNLZRUYANGEQ-UHFFFAOYSA-N
rxn:4:173600:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)CC)cc(C2CCCNC2)n1,SYZMLJYNUMUWPU-UHFFFAOYSA-N
rxn:4:173642:222741,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,IWQANDKBYGNOQC-UHFFFAOYSA-N
rxn:4:174499:223892,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c(F)c1,YYNJYFLUNRFHKT-UHFFFAOYSA-N
rxn:4:200880:223847,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,KOFLYWJWMJBIRI-UHFFFAOYSA-N
rxn:4:201132:224877,COc1ccc2cc(-c3ccc(COC4CCCCC4)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,MTYBWGXLHARDHD-UHFFFAOYSA-N
rxn:4:201988:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C)CC4)c3OCC)cc2)CC1,VGYUJOBURWCRNB-SOAUALDESA-N
rxn:4:202241:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)c3)cc2)CC1,DBDSTBXKGHUJGF-UHFFFAOYSA-N
rxn:4:202284:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)c(F)c2)CC1,FJKRBILBQOEWIP-MCZWQBSQSA-N
rxn:4:202306:222546,CCN1CCN(Cc2cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc(C(C)(C)C)c2)CC1,WDWKQNLVDXBBPW-UHFFFAOYSA-N
rxn:4:202306:224494,CCN1CCN(Cc2cc(-c3ccc(CCOC4CCCCO4)cc3)cc(C(C)(C)C)c2)CC1,GBLUIGWQOXQTDN-UHFFFAOYSA-N
rxn:4:204091:224189,COc1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C)ccc1O[Si](C)(C)C(C)(C)C,ZXJLVEIEBXYEKQ-UHFFFAOYSA-N
rxn:4:207794:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)cc2)CC1,UYSIKGIXZUHLFO-UHFFFAOYSA-N
rxn:4:213265:226093,CC(C)CCSc1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)cc1,ISKPKJOSDSNFMX-UHFFFAOYSA-N
rxn:4:213991:223847,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(CC5CCCOC5)CC4)nc3)cc2)CC1,JYBSGPVNAGVRCD-UHFFFAOYSA-N
rxn:4:214015:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,DSWIFRLBKOEIOF-UHFFFAOYSA-N
rxn:4:214078:223826,CCN1CCN(Cc2ccc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)cc2N2CCCCC2)CC1,LGELHJGLBDXZSM-UHFFFAOYSA-N
rxn:4:214078:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)c(F)c2F)cc1,YOPHPIMNSCABOU-UHFFFAOYSA-N
rxn:4:215918:222717,Cc1cc(-c2cc(C(=O)N3CCN(C)CC3)n(C)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,YWLORKFSBHBGNK-UHFFFAOYSA-N
rxn:4:215918:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCN(C)CC4)n(C)c3)cc2)CC1,FQQJALVCVYSEOB-HZCBDIJESA-N
rxn:4:218834:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(CCn5ccnc5)CC4)o3)c(F)c2)CC1,VZBDWVRVCMZCQD-UHFFFAOYSA-N
rxn:4:221108:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)Cn5cnc(C)c(C)c5=O)CC4)nc3)cc2)CC1,NGBIODIZWRJYKF-DUYHBEBVSA-N
rxn:4:221121:226064,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCCC6)cc5)ccc43)CC2)CC1,OJFXBPARZTWLFC-UHFFFAOYSA-N
rxn:4:173572:222622,CCC(C)c1cc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc(C2CCCNC2)n1,DELZENKPKNRKAE-UHFFFAOYSA-N
rxn:4:173616:222629,Cc1oc2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,CULMHBYTEJTIHP-UHFFFAOYSA-N
rxn:4:174498:223892,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1F,HNBXZFHRAGUPNQ-UHFFFAOYSA-N
rxn:4:184023:223894,CN1CCN(CCCOc2cccc(-c3cc(Cl)cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,DBVRLSYLRJWVEY-UHFFFAOYSA-N
rxn:4:184024:223892,CN1CCN(CCCOc2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2)CC1,AJRPQIYERQYYKF-UHFFFAOYSA-N
rxn:4:185319:222741,CC(C)(C)OC(=O)N1CC(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2C2CC2)C1,NAHGJCYDRCZTJS-UHFFFAOYSA-N
rxn:4:185423:224171,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCCC4)c(F)c3)cc(C3CC3)c2)C1,OWQIPBPBZVNFML-UHFFFAOYSA-N
rxn:4:200566:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3OCC)cc2)CC1,WXHLZQWWXJTIIY-SOAUALDESA-N
rxn:4:200592:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OCC)cc2)CC1,PHTQNFSMUDNWCT-SOAUALDESA-N
rxn:4:200882:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc2)CC1,ISHBOWKWVSZGIB-UHFFFAOYSA-N
rxn:4:201937:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,IXIGBYSSXUDPME-DIVCQZSQSA-N
rxn:4:201987:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)cc2)CC1,AISOLUPNIUUXDE-SOAUALDESA-N
rxn:4:202017:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(C)CC4)c(OC)c3)cc2)CC1,BVHVRZWMYDTRRY-RQNOJGIXSA-N
rxn:4:202109:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3c(C)cc(OCC(=O)N4CCN(C)CC4)cc3C)cc2)CC1,ZXFVSGCJOITZQW-DIVCQZSQSA-N
rxn:4:202122:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)c(F)c2)CC1,FQPXRESBKYGYEN-UHFFFAOYSA-N
rxn:4:202250:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)c(F)c2)CC1,ZOMIQIWKWPYHAH-UHFFFAOYSA-N
rxn:4:202274:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)CC1,YTCQCCJGLADWBQ-VEEOACQBSA-N
rxn:4:202284:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,SRKKMXSIQYZHJI-MCZWQBSQSA-N
rxn:4:202306:225499,CCN1CCN(Cc2cc(-c3ccc(C4CCCCC4)cc3F)cc(C(C)(C)C)c2)CC1,RZOQQEFMOLNKLQ-UHFFFAOYSA-N
rxn:4:202341:226103,CCCOc1c(C)cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1C,AEPGTQNQPJBGAV-UHFFFAOYSA-N
rxn:4:204091:224625,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(Cl)c(OC(C)C)c(OC(C)C)c1,BCMYNTUTQTZBLQ-UHFFFAOYSA-N
rxn:4:204092:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)c(C)c3)cc2)CC1,ULTSDNJFOVANQF-DIVCQZSQSA-N
rxn:4:212710:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(COc5ncnc(C)c5C)CC4)cc3)c(F)c2)CC1,CXYSYNOQUWLIFZ-XQESHEEFSA-N
rxn:4:212710:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(COc5ncnc(C)c5C)CC4)cc3)cc2)CC1,GKJLXBUVAUQQFC-CCURTVBJSA-N
rxn:4:213136:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(CC5CCCO5)C4)nc3)cc2)CC1,JCQQUZIMNRAGEQ-QFSNKDSUSA-N
rxn:4:213718:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)cc2)CC1,QOMNJYGWHLOIDO-VMTNWKEESA-N
rxn:4:219529:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3OC)cc2)CC1,PPGGNDXNCKNTIK-UHFFFAOYSA-N
rxn:4:219569:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)c(F)c2)CC1,OQBKYVHXDWBZJH-DIVCQZSQSA-N
rxn:4:221182:223846,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cc(C)cc(C5CC6CCC5(C)C6(C)C)c4)cn3)CC2)C1=O,PVEWISDPFGQUFR-UHFFFAOYSA-N
rxn:4:221446:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,NLAHXQPFMAAVGI-UNWRIRMBSA-N
rxn:4:173508:222623,CCC(C)c1cc(-c2ccc(OCCOC3CCCCO3)c(OC)c2)cc(C2CCNCC2)n1,GCEHJGDFENPJCT-UHFFFAOYSA-N
rxn:4:173616:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)c2ccco2)cc(C2CCCNC2)n1,CWBCXYMJFATNMB-UHFFFAOYSA-N
rxn:4:174429:222741,CC(C)(C)OC(=O)C(C)(C)Oc1cccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,NWMUBYTYMCONNH-UHFFFAOYSA-N
rxn:4:199705:223748,CCN1CCN(CCCOc2cc(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)ccc2C)CC1,YFHRAPIYALSOKC-UHFFFAOYSA-N
rxn:4:200880:223877,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(OCc5cccc(Cl)c5)c(C)c4)cc3)CC2)CC1,AUXVBFZOEPEGLP-UHFFFAOYSA-N
rxn:4:200880:224022,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CC2)CC1,JBFUVASDHKGFCL-UHFFFAOYSA-N
rxn:4:200880:224204,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(F)cc(OCc5ccccc5)cc4F)cc3)CC2)CC1,CSEAACPNPFEBSU-UHFFFAOYSA-N
rxn:4:200880:224512,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(F)cc4OCc4ccccc4)cc3)CC2)CC1,JLCCDIPQWBCGAA-UHFFFAOYSA-N
rxn:4:200880:224560,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(SCc5cccc(F)c5)cc4)cc3)CC2)CC1,LMCVMSSSXYIGJP-UHFFFAOYSA-N
rxn:4:201132:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)cc2)CC1,QESZDMSHVXGVNP-MCZWQBSQSA-N
rxn:4:202125:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C4(C(=O)N5CCN(CC)CC5)CC4)cc3)cc2)CC1,GIDKXHYUNJAATD-MCZWQBSQSA-N
rxn:4:202250:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)c(F)c2)CC1,JZCZZSQRLDYSCA-SOAUALDESA-N
rxn:4:202274:223847,CCCCCC1CCC(c2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2)CC1,OLHUDJBBEZPWEN-IXFFLYAZSA-N
rxn:4:202306:224606,CCCOc1cc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)cc(Cl)c1OC(C)C,CBGHCZOIBCQNBQ-UHFFFAOYSA-N
rxn:4:202306:224917,CCN1CCN(Cc2cc(-c3ccc(N4CCC(C)CC4)cc3C)cc(C(C)(C)C)c2)CC1,LJFFFENSAUZFOH-UHFFFAOYSA-N
rxn:4:204003:223892,CN1CCN(CCCOc2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3Cl)cc2)CC1,LNLQMOAAPJKDOI-UHFFFAOYSA-N
rxn:4:204116:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)cc2)CC1,WDOWRFOMUANPNT-IWJLFLQVSA-N
rxn:4:212737:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,ODXVMKUDAZFVRW-FBSWEULCSA-N
rxn:4:213282:223728,CCCCCC1CCC(c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)c(F)c2)CC1,ALFCIFOLTQQJMF-UHFFFAOYSA-N
rxn:4:213952:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCC(Oc5ncc(C)cn5)CC4)c3)c(F)c2)CC1,XXYAKYHZJVMWEB-FBSWEULCSA-N
rxn:4:214078:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)CC1,QNIVTYABBGHKFQ-UHFFFAOYSA-N
rxn:4:214079:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)cc2)CC1,TUHMSBKWQWUNJA-UHFFFAOYSA-N
rxn:4:214079:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)cc2)CC1,ZPRPHCQJDYEIIO-OGESRWMOSA-N
rxn:4:221121:224846,CCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,DRMWHMADNPLWRC-UHFFFAOYSA-N
rxn:4:221175:227570,CCOc1c(F)cc(-c2cnc(OC3CCN(C(=O)N4CCN(CC)C(=O)C4=O)C3)nc2)cc1Cl,GVKMGNRYJHEJRQ-UHFFFAOYSA-N
rxn:4:221193:224034,CCCCc1ccc(-c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)cc1,YHSFMDJZZXPDJW-UHFFFAOYSA-N
rxn:4:221193:224139,Cc1cc(OCc2cccc(Cl)c2)ccc1-c1cnc(OCC2CCCN(C(=O)N3CCN(C)CC3)C2)nc1,XPDRJFJQYQLNTB-UHFFFAOYSA-N
rxn:4:221193:224550,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCc5ccccc5)c(Cl)c4)cn3)C2)CC1,HVSHKWJSFJCNPN-UHFFFAOYSA-N
rxn:4:222333:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ccc(N6CCOCC6)nn5)CC4)nc3)cc2)CC1,IPHHFMUTRPWDGX-MCZWQBSQSA-N
rxn:4:222573:200880,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)cc3)CC2)CC1,CKEQXZILUQMVTE-UHFFFAOYSA-N
rxn:4:173508:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCCOC1CCCCO1,QBSSGBNNWBEGEI-UHFFFAOYSA-N
rxn:4:173572:224198,CCN1CCN(Cc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)c(F)c2)CC1,BBMPVRLQIGWREI-UHFFFAOYSA-N
rxn:4:173606:222624,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,VGNMKQFBHXCVJN-UHFFFAOYSA-N
rxn:4:174431:222741,CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,AKXFTRBYLPOQJF-UHFFFAOYSA-N
rxn:4:174496:223786,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)c1,LZVNJWJLNLDOAH-UHFFFAOYSA-N
rxn:4:174497:223892,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)cc1,NSUHPICXGYVZPL-UHFFFAOYSA-N
rxn:4:180516:222542,COc1ccc(C2OCC(C)(C)CO2)cc1-c1ccc(C)c(OCCCN2CCNCC2)c1,SKIWNCDWCUMPDK-UHFFFAOYSA-N
rxn:4:185365:224570,COc1ccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)c(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1,SIYMBDJYAGPJCE-UHFFFAOYSA-N
rxn:4:190193:223497,CC(c1ccc(-c2ccc(C3(CN4CCCC4)CC3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,UGOFKJZPLFIREA-UHFFFAOYSA-N
rxn:4:200023:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCc5c(OCC(=O)N6CCOCC6)cccc5C4=O)cc3)cc2)CC1,WIKFGSIUEVNBGJ-UNWRIRMBSA-N
rxn:4:200880:223667,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cc3)CC2)CC1,CCQHVSMAFDVUQQ-UHFFFAOYSA-N
rxn:4:200880:224062,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5cc(C)ccc5C)c4)cc3)CC2)CC1,XELOLZALFXTMNH-UHFFFAOYSA-N
rxn:4:200880:224241,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5cccc(F)c5F)cc4)cc3)CC2)CC1,NGHSJIZJPZUXLZ-UHFFFAOYSA-N
rxn:4:200880:224539,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5cccc(F)c5)cc4)cc3)CC2)CC1,QDBJCIZCEPICGH-UHFFFAOYSA-N
rxn:4:200880:225307,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C5COC5)c(C(F)(F)F)c4)cc3)CC2)CC1,ORTAXVKXLNZFPD-UHFFFAOYSA-N
rxn:4:200880:226890,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(C(F)(F)F)cc4Cl)cc3)CC2)CC1,IAPBSZOOIDHVOI-UHFFFAOYSA-N
rxn:4:202306:224916,CCN1CCN(Cc2cc(-c3ccc(N4CCCC(C)C4)cc3C)cc(C(C)(C)C)c2)CC1,TZQHYXKLFHBNIT-UHFFFAOYSA-N
rxn:4:202341:226093,CC(C)CCSc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1,MHOKOTILSAMXFF-UHFFFAOYSA-N
rxn:4:202341:226098,CCCCOc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1C,TYMDIAFLYGSNRC-UHFFFAOYSA-N
rxn:4:204066:225199,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2cc(F)c(OC3CCCC3)c(F)c2)c1,TXENIGSIVYDZRE-UHFFFAOYSA-N
rxn:4:204096:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)c(F)c2)CC1,PIWGQSQUUULFEY-UHFFFAOYSA-N
rxn:4:204140:225043,CN1CCN(Cc2cc(-c3ccc(OC4CCCCC4)c(F)c3)cc(C(C)(C)C)c2)CC1,PWWXYJRGWDJGNH-UHFFFAOYSA-N
rxn:4:207049:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(CN4CCN(C)CC4)c3)cc2)CC1,QMLKSAMFHVYIMU-DUYHBEBVSA-N
rxn:4:213174:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)cc2)CC1,PBLQWKCLDIIOQZ-UHFFFAOYSA-N
rxn:4:213246:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,AOWJAOPQUCZQKU-DJWYIQKTSA-N
rxn:4:214057:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)c(F)c2)CC1,GLMJDSGFSCCFRE-UHFFFAOYSA-N
rxn:4:214057:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,LYPFMWZDMZBCEU-QVYRIUEQSA-N
rxn:4:214082:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,ALZXBPXUNKYVIV-OGESRWMOSA-N
rxn:4:214682:224684,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)n2)CC1,LDCLOBSEWQDTLZ-UHFFFAOYSA-N
rxn:4:222622:175939,CCC(C)c1cc(-c2ccc(COC3CCCCO3)cc2OC)cc(C2CCCNC2)n1,LJOQKMWPSLFIGO-UHFFFAOYSA-N
rxn:4:173508:222465,COc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)ccc1OCCOC1CCCCO1,BWSVGTRHCPLDCN-UHFFFAOYSA-N
rxn:4:173572:224497,CCN1CCN(Cc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,LGCQRGONXXFUAW-UHFFFAOYSA-N
rxn:4:174432:222741,CC(C)Oc1ccc(C(=O)OC(C)(C)C)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,CVMBQKGPWFUVBI-UHFFFAOYSA-N
rxn:4:174491:224570,CC(c1ccc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc1)N1CCN(C)CC1,HCAAGXBDBGCWKW-UHFFFAOYSA-N
rxn:4:174496:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4)c3)cc2)CC1,AYBNORXDIXPOCI-UHFFFAOYSA-N
rxn:4:174593:222740,COC(=O)c1c(C)oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,DZVNCDTWBZFNQU-UHFFFAOYSA-N
rxn:4:200880:224420,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc5c(cc4C)C(C)(C)CCC5(C)C)cc3)CC2)CC1,SGWAKVFAQNTSJU-UHFFFAOYSA-N
rxn:4:200880:224511,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)cc4F)cc3)CC2)CC1,KKHZEAXSDGQBBF-UHFFFAOYSA-N
rxn:4:200880:224514,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)cc(OCc5ccccc5)c4)cc3)CC2)CC1,ZXQVMIVZAJZRFD-UHFFFAOYSA-N
rxn:4:200880:224515,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(F)c(OCc5ccccc5)c4)cc3)CC2)CC1,RCBBDJUBRNCOBQ-UHFFFAOYSA-N
rxn:4:200880:224525,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(COc5ccccc5Cl)c4)cc3)CC2)CC1,CIPFZAFPIFYEFR-UHFFFAOYSA-N
rxn:4:201899:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,QIJGDNPNHGYMBU-UHFFFAOYSA-N
rxn:4:202017:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(C)CC4)c(OC)c3)cc2)CC1,WYKVCFOWHLGUSQ-YHBQERECSA-N
rxn:4:202124:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCN(C(C)C)CC4)ccc3OC)cc2)CC1,BVHZHPWBBJTELP-SOAUALDESA-N
rxn:4:202306:224625,CCN1CCN(Cc2cc(-c3cc(Cl)c(OC(C)C)c(OC(C)C)c3)cc(C(C)(C)C)c2)CC1,UXGPOJFONFPSLU-UHFFFAOYSA-N
rxn:4:203883:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3)cc2)CC1,SIQSAJITSIRCEZ-YHBQERECSA-N
rxn:4:203958:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,PAXZYKUBZIZFKE-SOAUALDESA-N
rxn:4:204091:224606,CCCOc1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2C)cc(Cl)c1OC(C)C,COMAFBPUEMOKGO-UHFFFAOYSA-N
rxn:4:204101:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N5CCCC5)CC4)c3)c(F)c2)CC1,OCDXETZAMFDXEN-DIVCQZSQSA-N
rxn:4:212839:226103,CCCOc1c(C)cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1C,LGTWPFYQVXMZAW-UHFFFAOYSA-N
rxn:4:214062:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)cc2)CC1,HUGPAVFKWKAMPF-UHFFFAOYSA-N
rxn:4:214078:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)CC1,QVVFRVLLMOWUCC-OGESRWMOSA-N
rxn:4:214851:225952,Cc1nc(N2CCOCC2)ncc1-c1cncc(C(=O)N2CCCN(C3CCC3)CC2)c1,PQGATXYWMNJVCI-UHFFFAOYSA-N
rxn:4:214852:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2)CC1,SQAFHGUYKDYUGK-SOAUALDESA-N
rxn:4:214879:223865,CCN1CCN(C2CC(=O)N(c3ccc(-c4cc(C(C)C)ccc4OCc4ccccc4)cc3)C2=O)CC1,DPNMBLYFLNXLDJ-UHFFFAOYSA-N
rxn:4:214890:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)c(F)c2)CC1,NKLYYRICLYPBIW-DIVCQZSQSA-N
rxn:4:218902:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCN(CCn5cccn5)CC4)c3)cc2)CC1,KUHKAQGNKDQXEK-QVYRIUEQSA-N
rxn:4:222367:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)c2)CC1,URTYFKBALDLYQY-OOZDBRQBSA-N
rxn:4:222542:215990,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1OCCCN1CCNCC1,BREFPLXVHJMRBF-UHFFFAOYSA-N
rxn:4:173578:222633,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,MPHZMXUUUPHCRK-UHFFFAOYSA-N
rxn:4:173579:222622,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c2)c1,WBBHPRYTGNWLFV-UHFFFAOYSA-N
rxn:4:173579:222629,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c2)c1,WLPDNKLDTVIXGB-UHFFFAOYSA-N
rxn:4:173600:222622,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,BEQHONHEBIPDQN-UHFFFAOYSA-N
rxn:4:173606:222730,CCCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)CC)cc(C2CCNCC2)n1,XXMXHDSVWSLUPI-UHFFFAOYSA-N
rxn:4:173607:222624,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,DYDZWPORDOWTCF-UHFFFAOYSA-N
rxn:4:173641:222624,Cc1oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,RSUKIXNWYVCDMK-UHFFFAOYSA-N
rxn:4:174485:222624,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,NCFNBAHRKJXBHY-UHFFFAOYSA-N
rxn:4:174498:223894,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c1F,CAACNQMKAIRUST-UHFFFAOYSA-N
rxn:4:174526:222741,Cc1c(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,XSUOZKOOMIOKRI-UHFFFAOYSA-N
rxn:4:200880:222669,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)Nc5cccc(Cl)c5)c4)cc3)CC2)CC1,WWXMAZXOFNKQPF-UHFFFAOYSA-N
rxn:4:200880:223925,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(F)c(OCc5ccccc5)c4F)cc3)CC2)CC1,IZJQYYCETAAQOY-UHFFFAOYSA-N
rxn:4:200880:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c(F)c2)CC1,YMZZYNQQINIUGE-DUYHBEBVSA-N
rxn:4:200880:224117,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(F)cc4OCCc4ccccc4)cc3)CC2)CC1,NBDFHEQDMUFVFA-UHFFFAOYSA-N
rxn:4:200880:224214,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCc4ccc(Cl)cc4)cc3)CC2)CC1,FEYPHYUKQYLTMX-UHFFFAOYSA-N
rxn:4:200880:224235,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(F)cc4OCc4ccccc4)cc3)CC2)CC1,AXVWEWPHFIXCFB-UHFFFAOYSA-N
rxn:4:200880:224530,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(COc5cccc(Cl)c5)c4)cc3)CC2)CC1,SMCMPMDJGQXOHX-UHFFFAOYSA-N
rxn:4:200880:224853,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C5CCC(C)(C)CC5)cc4)cc3)CC2)CC1,LVHKKMDQDQBAHD-UHFFFAOYSA-N
rxn:4:201953:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(C(=O)OC)c3)cc2)CC1,DPAMNIDEZDWESW-SOAUALDESA-N
rxn:4:202306:224462,CCN1CCN(Cc2cc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc(C(C)(C)C)c2)CC1,UUFZYSMMAOPIAJ-UHFFFAOYSA-N
rxn:4:203955:224424,CCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,RVWRYPPNCHABSI-UHFFFAOYSA-N
rxn:4:212740:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,HLBGSVNIOBHCFK-UNWRIRMBSA-N
rxn:4:213259:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc2)CC1,KKNKTPVFROTNKZ-DIVCQZSQSA-N
rxn:4:220204:227386,O=C(C1CN(c2ncnc3ccc(-c4cnn(C5CCCCC5)c4)cc23)CCO1)N1CCOCC1,PWGVXACBHAQBRE-UHFFFAOYSA-N
rxn:4:221538:223847,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,INVUFBBFGNZSSU-UHFFFAOYSA-N
rxn:4:173550:223952,CN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC(F)(F)F)c3)cc2Cl)CC1,DXDXWXRSGVWSFN-UHFFFAOYSA-N
rxn:4:173572:224482,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2cccc(OCCCN3CCCC3)c2)c1,JLJWLPNFJGQNCU-UHFFFAOYSA-N
rxn:4:173579:223952,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)c2)c1,QCEZYXXCPHDMLW-UHFFFAOYSA-N
rxn:4:173600:222623,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c(OC(=O)CC)cc12,VLURTYQZEOQCGN-UHFFFAOYSA-N
rxn:4:173606:222630,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,YVYOKECEPVERHB-UHFFFAOYSA-N
rxn:4:173606:222631,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,DUMXPMCOCASSDY-UHFFFAOYSA-N
rxn:4:173606:222740,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C(C)C)nc(C2CCCNC2)c1,PAKZUYWMGGCOQR-UHFFFAOYSA-N
rxn:4:173606:224501,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1ccc(OCC2CCCCN2C)cc1,JZUXTCADJGUAOW-UHFFFAOYSA-N
rxn:4:173616:222624,Cc1oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,UEWWZCPAOSOMGG-UHFFFAOYSA-N
rxn:4:178984:223497,CCSc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1Cl,BICDPXYCOQXYSY-UHFFFAOYSA-N
rxn:4:180480:223497,Cc1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C)c1OC1CCCCO1,YIJUVJRLTFIXBM-UHFFFAOYSA-N
rxn:4:200756:224846,CCC1CCC(c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,KFHAWGDHRWHRKQ-UHFFFAOYSA-N
rxn:4:200880:223833,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cc5Cl)cc4)cc3)CC2)CC1,YHTILCWYUWOWOF-UHFFFAOYSA-N
rxn:4:200880:228954,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(F)c(Cl)c4)cc3)CC2)CC1,YCMGNGJGWHDBEB-UHFFFAOYSA-N
rxn:4:200884:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,MSZUYJUAWOTKJK-KWQFAZJVSA-N
rxn:4:200884:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,TUHADHDQNVTZIP-DUYHBEBVSA-N
rxn:4:201939:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(C)c3)cc2)CC1,IQKSONVFVTZGNS-DIVCQZSQSA-N
rxn:4:202306:223662,CCN1CCN(Cc2cc(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])cc(C(C)(C)C)c2)CC1,UWCUHLKBVJYXRG-UHFFFAOYSA-N
rxn:4:202341:222741,CC(C)N1CCN(Cc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc(C(C)(C)C)c2)CC1,RFCAZXZYKFXCKQ-UHFFFAOYSA-N
rxn:4:202341:226092,CCCCOc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c(C)c1,CZWVEUHPIXRKTM-UHFFFAOYSA-N
rxn:4:206901:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCCN(C)CC4)o3)cc2)CC1,HJWOUAHKOFALJE-UHFFFAOYSA-N
rxn:4:214078:223733,CCN1CCN(Cc2ccc(-c3cccc(OCc4ccc(C(C)(C)C)cc4)c3)cc2N2CCCCC2)CC1,COMBGMAJSHWJHN-UHFFFAOYSA-N
rxn:4:214078:223734,CCN1CCN(Cc2ccc(-c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2N2CCCCC2)CC1,FEHXPHPFOPNPEN-UHFFFAOYSA-N
rxn:4:214321:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)ncn4C3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,MDCFBTJAMOASRJ-QMKXWPMSSA-N
rxn:4:219402:225749,COc1ccc(C(=O)N(C)C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1,GLGKMSDJMUWOEH-UHFFFAOYSA-N
rxn:4:221453:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)cc3)cc2)CC1,SUIBQNSDEZCHLX-UHFFFAOYSA-N
rxn:4:222389:178154,Fc1c(F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(F)c(F)c1COC1CCCCO1,QZDAXTOCLRRAPD-UHFFFAOYSA-N
rxn:4:173572:224088,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(OCCN3CCCCCC3)cc2)c1,QWEGYOKGZWHKSZ-UHFFFAOYSA-N
rxn:4:173578:223952,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c1,FKQWHAVYOLAYMU-UHFFFAOYSA-N
rxn:4:173599:222615,COCCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OC)cc12,DHOWXBKJYXCZME-UHFFFAOYSA-N
rxn:4:173606:222629,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,HINQTFNOMLSDRZ-UHFFFAOYSA-N
rxn:4:173616:222631,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,GJIMMOPHFFHJNK-UHFFFAOYSA-N
rxn:4:173642:222621,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,UIYUBLJVRSVKDH-UHFFFAOYSA-N
rxn:4:174482:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(C(F)(F)F)cc4)c3)cc2)CC1,OHJLPJHOECEPJF-UHFFFAOYSA-N
rxn:4:180516:223893,CCN1CCN(CCOc2cccc(-c3cc(C4OCC(C)(C)CO4)ccc3OC)c2)CC1,NHDVTFHUDGLXNV-UHFFFAOYSA-N
rxn:4:180534:222622,CCC(C)c1cc(-c2ccc(-c3ccc(C=C4C(=O)OC(C)(C)OC4=O)o3)cc2)cc(C2CCCNC2)n1,QQTLWDOYEZIEJQ-UHFFFAOYSA-N
rxn:4:200756:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,KFHAWGDHRWHRKQ-ALOJWSFFSA-N
rxn:4:200762:226103,CCCOc1c(C)cc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)cc1C,NOQYEAHBMYZKGU-UHFFFAOYSA-N
rxn:4:200880:226915,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C5CCCC5)cc4)cc3)CC2)CC1,WKFVULONLQBCNX-UHFFFAOYSA-N
rxn:4:200884:224846,CCC1CCC(c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,TUHADHDQNVTZIP-UHFFFAOYSA-N
rxn:4:202244:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)cc2)CC1,QFUAYYQEQPOHPL-QVYRIUEQSA-N
rxn:4:202267:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCOC(C(=O)N5CCCCC5)C4)c3)cc2)CC1,QEAAFTSHZFBOFZ-SNOFGSQBSA-N
rxn:4:202300:222741,COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,CDRZATJQJFUPOE-UHFFFAOYSA-N
rxn:4:202306:223785,CCN1CCN(CCOc2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2Cl)CC1,QMXCPFZRHMFBOO-UHFFFAOYSA-N
rxn:4:203955:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,KLIJPYSGULDKHJ-SOAUALDESA-N
rxn:4:203991:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,ONFFWZIZEXQZLP-FBSWEULCSA-N
rxn:4:213265:225201,O=C(c1ccc(-c2ccc(OC3CCCC3)c(F)c2F)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,ZFRHGJJBXOTEBT-UHFFFAOYSA-N
rxn:4:214049:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCCCC4)c3)cc2)CC1,XIXGKJFYMNVBTQ-UHFFFAOYSA-N
rxn:4:214079:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(F)c2)CC1,HVOAEFDDCTVSQH-OGESRWMOSA-N
rxn:4:214890:223728,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)c(F)c2)CC1,NKLYYRICLYPBIW-UHFFFAOYSA-N
rxn:4:219530:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)cc2)CC1,NVZQLAOBUKKVAA-DUJLPWPBSA-N
rxn:4:219551:223847,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(C5CCN(C(C)C)C5=O)CC4)nc3)cc2)CC1,OBTXASSMMOZZGY-UHFFFAOYSA-N
rxn:4:222622:176953,CCC(C)c1cc(-c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)cc(C2CCCNC2)n1,BNMRNPSJBZKCER-UHFFFAOYSA-N
rxn:4:173575:222623,CCC(C)c1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCNCC2)n1,HQISQVZWQHEAMJ-UHFFFAOYSA-N
rxn:4:173600:222628,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,ORKIHUBHLTWUCI-UHFFFAOYSA-N
rxn:4:173607:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,BMBYOUJKUYSZQL-UHFFFAOYSA-N
rxn:4:173641:222851,CCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCNCC2)n1,SNQOOSIRTBUEKQ-UHFFFAOYSA-N
rxn:4:174486:222624,COc1cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,YQVNQHYRFRGPEX-UHFFFAOYSA-N
rxn:4:174496:222466,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)c1,JJGZLRYFJPZNMA-UHFFFAOYSA-N
rxn:4:174496:223893,CCN1CCN(CCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4)c3)c2)CC1,LXOBBNKKJYKCJD-UHFFFAOYSA-N
rxn:4:174567:222741,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CC2)nc(C2CCCNC2)c1,QNBGVBDXBQEEIG-UHFFFAOYSA-N
rxn:4:185199:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCC(OC)CC4)cc(C(=O)OC)c3)cc2)CC1,ZJFCMSSKIQSORR-UHFFFAOYSA-N
rxn:4:199711:222624,CC(C)Cc1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc(C2CCNCC2)n1,GYBWXSULIWRWCG-UHFFFAOYSA-N
rxn:4:200779:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC=Cc5ccccc5)CC4)cc3)cc2)CC1,ZISLXCKOFRLEOG-RHMHBARZSA-N
rxn:4:200880:222671,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)cc3)CC2)CC1,FOSCJDBZXGCYLP-UHFFFAOYSA-N
rxn:4:200880:224532,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5cccc(Cl)c5)cc4)cc3)CC2)CC1,KEXBFOLYZJQTJE-UHFFFAOYSA-N
rxn:4:200880:224800,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OC(F)(F)F)c(OC(C)C)c4)cc3)CC2)CC1,YAEOYAHWEDKHHA-UHFFFAOYSA-N
rxn:4:200880:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,PVHDQUYZMZCTKJ-DUYHBEBVSA-N
rxn:4:200880:228947,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(Cl)c(F)c4)cc3)CC2)CC1,OZJDKDYCYCDXIS-UHFFFAOYSA-N
rxn:4:202019:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,RXUROYTUAYLXGU-MEMLXQNLSA-N
rxn:4:202306:223636,CCN1CCN(Cc2cc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc(C(C)(C)C)c2)CC1,BUJDXSPHZQNWRD-UHFFFAOYSA-N
rxn:4:202341:225617,CC(C)N1CCN(Cc2cc(-c3ccc(OC4CCCCO4)cc3)cc(C(C)(C)C)c2)CC1,HZWYDXMCKVDTCZ-UHFFFAOYSA-N
rxn:4:203807:223847,CCCCCC1CCC(c2ccc(-c3cccc(CC(=O)N4CCN(C)CC4)c3)cc2)CC1,FXEZFNRSSDLUPA-UHFFFAOYSA-N
rxn:4:204003:224552,CN(C)C1CCN(Cc2ccc(-c3cc(F)cc(COC4CCCCC4)c3)c(Cl)c2)CC1,GACCJDBNCOCALO-UHFFFAOYSA-N
rxn:4:204150:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,PZMRAIWOPVQLDM-MCZWQBSQSA-N
rxn:4:213127:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,OGEQHPHTELKVHT-SOAUALDESA-N
rxn:4:221535:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,OQMZARVVVXTGAP-YOCNBXQISA-N
rxn:4:222623:185164,CCC(C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cc(C2CCNCC2)n1,QAVRWMJGBGLCOB-UHFFFAOYSA-N
rxn:4:173580:222621,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c2)cc1,MCBHKDBHRFPPMS-UHFFFAOYSA-N
rxn:4:173606:222621,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,RBHXWQSQODVLBP-UHFFFAOYSA-N
rxn:4:173606:223894,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cccc(OCCCN2CCN(C)CC2)c1,CLCXHSQFKJTMLX-UHFFFAOYSA-N
rxn:4:174481:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(C(F)(F)F)c4)c3)cc2)CC1,LLIVDSHJXLFZHN-UHFFFAOYSA-N
rxn:4:174496:223753,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1,RYDIDBSCUMRSNX-UHFFFAOYSA-N
rxn:4:174496:223951,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)c2)c1,SMIWBZHUBIOJEK-UHFFFAOYSA-N
rxn:4:185186:222741,CC1CCN(CCCOc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,YVSNYCVASGMCHJ-UHFFFAOYSA-N
rxn:4:186868:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(C(=O)OC)N(C)C)ccc3F)cc2)CC1,YBWVEQYMCAWXKZ-LQQNYNNYSA-N
rxn:4:200428:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCN(CCOC)CC4)c3)cc2)CC1,XASKAODTMKXSHM-DIVCQZSQSA-N
rxn:4:200880:224535,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5cccc(Cl)c5)cc4)cc3)CC2)CC1,QAKHGRHVNSPKOF-UHFFFAOYSA-N
rxn:4:202092:224625,CC(C)Oc1cc(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc(Cl)c1OC(C)C,AGUFZZUUVIIGTE-UHFFFAOYSA-N
rxn:4:202306:224180,CCN1CCN(Cc2cc(-c3ccccc3OCCN3CCN(C)CC3)cc(C(C)(C)C)c2)CC1,RVWZQHFFLOOBGN-UHFFFAOYSA-N
rxn:4:202341:225427,CCCCOc1c(C)cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1C,TVTCQRKESINNSW-UHFFFAOYSA-N
rxn:4:203966:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3Cl)cc2)CC1,ZACQCSZBXFMTQI-YHBQERECSA-N
rxn:4:204140:224846,CCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,KENVWNCQWTYRML-UHFFFAOYSA-N
rxn:4:212745:223895,CCN1CCN(CCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,QSUJHEUYSYZJPL-UHFFFAOYSA-N
rxn:4:212904:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(=O)N(C)CCN(C)C)c(C)c3)cc2)CC1,BIQIWEQHGZNQNR-YHBQERECSA-N
rxn:4:214880:223847,CCCCCC1CCC(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C)c3)cc2)CC1,VYQDHMODGDQOJJ-UHFFFAOYSA-N
rxn:4:221110:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)cc2)CC1,QTZRQKURKXCJDR-QVYRIUEQSA-N
rxn:4:221193:224151,Cc1cc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cc(Cl)c1OCc1ccccc1,UWJWDGSIWNEORS-UHFFFAOYSA-N
rxn:4:222126:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,GGTOZFSRDVTLQH-FBSWEULCSA-N
rxn:4:222313:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)cc3)cc2)CC1,YGCJPYJACDGPJZ-UHFFFAOYSA-N
rxn:4:222621:174491,CC(C)Cc1cc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,PBKBDVXOSSNSTE-UHFFFAOYSA-N
rxn:4:173547:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cc2)CC1,ZMFZHTVROLRKNA-UHFFFAOYSA-N
rxn:4:173572:224080,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1,ZVYIYCIJRPCGMF-UHFFFAOYSA-N
rxn:4:173579:222621,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c2)c1,BAOQJQCKTXFCIR-UHFFFAOYSA-N
rxn:4:173580:223895,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(CC)CC4)cc3)c2)cc1,QXEUHGQJLRTQAT-UHFFFAOYSA-N
rxn:4:173613:222741,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C3CC3)nc(C3CCCNC3)c1)C2=O,MVOUNEVXVBPGHG-UHFFFAOYSA-N
rxn:4:174498:223753,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1F,NZXNLAMBGKUASJ-UHFFFAOYSA-N
rxn:4:174548:222624,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,LNCHSIWXDPCLQH-UHFFFAOYSA-N
rxn:4:174568:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)C)cc(C2CCNCC2)n1,APAVNRZUDUIZMB-UHFFFAOYSA-N
rxn:4:176165:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(C)ccc4F)c3)cc2)CC1,WRVIATYYHWCQLP-UHFFFAOYSA-N
rxn:4:201956:223847,CCCCCC1CCC(c2ccc(-c3cc(OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,DXZNRKFDBWOQBU-UHFFFAOYSA-N
rxn:4:202161:223578,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,OISJLVTXTLAIBX-UHFFFAOYSA-N
rxn:4:202161:224493,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CO[Si](C)(C)C(C)(C)C)cc1,KLKMHLKPVRZMSV-UHFFFAOYSA-N
rxn:4:202164:223760,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)c(OCc4ccccc4)cc3OC)c(C)cc2OC)CC1,WFUWTJZEJCDEOX-UHFFFAOYSA-N
rxn:4:202200:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCOCC5)C4)cc3)cc2)CC1,DJUTXTRFEJXCLG-NYHQYBDOSA-N
rxn:4:202243:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)c4ccccc4CN4CCN(C)CC4)c3)c(F)c2)CC1,JEVTUBVDTNLGSW-UHFFFAOYSA-N
rxn:4:202284:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,KIJHMYVPJZFTDG-SOAUALDESA-N
rxn:4:202306:223926,CCN1CCN(Cc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc(C(C)(C)C)c2)CC1,FPRKKPKIWBRJTE-UHFFFAOYSA-N
rxn:4:213227:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(Oc5ncc(C)cn5)CC4)c3)cc2)CC1,KEVHTVOPYZMUQC-MCZWQBSQSA-N
rxn:4:221110:225617,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(OC5CCCCO5)cc4)cn3)CC2)CC1,SWYAWOVUTTXOSX-UHFFFAOYSA-N
rxn:4:173550:224179,CN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC(F)(F)F)c3)cc2)CC1,ZXGRLVGCFNOWLD-UHFFFAOYSA-N
rxn:4:173572:222633,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1,LKJPVIBXBXPEOI-UHFFFAOYSA-N
rxn:4:173603:222615,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OC(C)C(=O)OC)cc12,CYRVWKBMDAQXSG-UHFFFAOYSA-N
rxn:4:173606:222389,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OEBUJEKGOONLFF-UHFFFAOYSA-N
rxn:4:173606:223753,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,HSYAGQGWAJRCRJ-UHFFFAOYSA-N
rxn:4:173607:222622,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,YHNPTBXBOQBCSX-UHFFFAOYSA-N
rxn:4:173705:222628,CCCC(=O)c1cc2c(oc1=O)c(-c1cc(C3CCC3)nc(C3CCCNC3)c1)cc1oc(C)c(C(=O)OCC)c12,BFGRBRIYEQUWNV-UHFFFAOYSA-N
rxn:4:174520:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(S(C)(=O)=O)c4)c3)cc2)CC1,UYOZFALWHZFGIA-UHFFFAOYSA-N
rxn:4:174567:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(C)=O)cc(C2CCNCC2)n1,OVVNLACNDMYZCM-UHFFFAOYSA-N
rxn:4:174604:223894,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cccc(OCCCN3CCN(C)CC3)c1)C2=O,GRDJKHLVDYARGB-UHFFFAOYSA-N
rxn:4:186868:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(C(=O)OC)N(C)C)ccc3F)c(F)c2)CC1,VWEOQZIBQNJWBP-XSUAGSRNSA-N
rxn:4:200880:224259,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)CC2)CC1,PPZMMLYMQOETPZ-UHFFFAOYSA-N
rxn:4:200884:224022,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1)C2,GOTHHNQNBOPKKZ-UHFFFAOYSA-N
rxn:4:200884:224853,CC1(C)CCC(c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,VOQNFEQMTALZTI-UHFFFAOYSA-N
rxn:4:201940:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,MQVWCONXOOGCGT-UHFFFAOYSA-N
rxn:4:202306:224087,CCN1CCN(Cc2cc(-c3cccc(OCCN4CCCCCC4)c3)cc(C(C)(C)C)c2)CC1,FKOURHWGSJASIB-UHFFFAOYSA-N
rxn:4:206864:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3Cl)c(F)c2)CC1,CWJOFXGGVOCLHV-MXVIHJGJSA-N
rxn:4:207357:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc2c1cnn2C,HPLATMQUFGLPHY-UHFFFAOYSA-N
rxn:4:213091:223497,CC(c1ccc(-c2ccc(CN3CCC(COc4cnccn4)CC3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,VMODIAHTMBPXAZ-UHFFFAOYSA-N
rxn:4:214058:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cncc(C(=O)N2CCC(N3CCC(OC)CC3)CC2)c1,DVVILXIPGYNQEP-UHFFFAOYSA-N
rxn:4:219698:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(OC)cc4)cc3)ccc2C)CC1,MJHOMSIAJWZUAR-UHFFFAOYSA-N
rxn:4:221121:225617,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC6CCCCO6)cc5)ccc43)CC2)CC1,WCLWWBZOOOUHFY-UHFFFAOYSA-N
rxn:4:221193:224559,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(SCc5ccccc5F)cc4)cn3)C2)CC1,BLAAMPXIDQJMHI-UHFFFAOYSA-N
rxn:4:221535:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,RDHIRHSSVVDKJU-FBSWEULCSA-N
rxn:4:222054:222741,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)o4)CC3)nn2)CC1,GRUWXZCBESZCTQ-UHFFFAOYSA-N
rxn:4:222126:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CPZNCJVEXXFOJC-UHFFFAOYSA-N
rxn:4:222126:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,LMVSEIRZBVHIHO-UHFFFAOYSA-N
rxn:4:222126:224424,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,LSKSCEPLPXNDLK-UHFFFAOYSA-N
rxn:4:173572:222845,CC(c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1)N1CCNCC1,DEJQSCAEWXJSLU-UHFFFAOYSA-N
rxn:4:173572:223952,CN1CCN(CCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2Cl)CC1,KBHQMOQMZVJHIW-UHFFFAOYSA-N
rxn:4:173572:224179,CN1CCN(CCOc2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,MIUNIGLDJZSNTP-UHFFFAOYSA-N
rxn:4:173579:222631,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c2)c1,YACARGMDJUBXBM-UHFFFAOYSA-N
rxn:4:173599:222616,COCCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c(OC)cc12,IHMIPEAECURQGS-UHFFFAOYSA-N
rxn:4:173600:222616,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c(OC(=O)CC)cc12,GWLZCDYJGRZIAG-UHFFFAOYSA-N
rxn:4:173600:222629,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(OC(=O)CC)cc12,WVSUTJFJJZOCGU-UHFFFAOYSA-N
rxn:4:173606:222623,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C(C)CC)nc(C2CCNCC2)c1,RUSFSJJKQRIYHB-UHFFFAOYSA-N
rxn:4:173606:222851,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC)nc(C2CCNCC2)c1,ITQQVUMFGFYDDG-UHFFFAOYSA-N
rxn:4:185374:223497,CC(c1ccc(-c2ccc(CC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PZEQAZUHKIKQPC-UHFFFAOYSA-N
rxn:4:186679:223894,Cc1cc(OCC(C)C)c(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1[N+](=O)[O-],YLERYCDGNGRTOO-UHFFFAOYSA-N
rxn:4:200606:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)c(F)c2)CC1,TUBRIKHJETYUJI-HZCBDIJESA-N
rxn:4:200762:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CC5(C4)CN(C(=O)OC(C)(C)C)C5)cc3)cc2)CC1,PEVFIGVTTSMSGH-UHFFFAOYSA-N
rxn:4:200762:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(C4)CN(C(=O)OC(C)(C)C)C5)cc3)cc2)CC1,MYSSZWNPWHPSMP-ALOJWSFFSA-N
rxn:4:200880:223586,COc1ccc(COc2cc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc(C(F)(F)F)c2)cc1,RQOLDFONNNGLJW-UHFFFAOYSA-N
rxn:4:200880:223876,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(OCc5ccccc5Cl)c(C)c4)cc3)CC2)CC1,VPWVWVKAHPEIPJ-UHFFFAOYSA-N
rxn:4:200880:223966,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)CC2)CC1,QZXKTXKIHYPJLT-UHFFFAOYSA-N
rxn:4:200880:224564,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(Cl)cc4OCc4ccccc4)cc3)CC2)CC1,KAVVLTWEZVMSCI-UHFFFAOYSA-N
rxn:4:200880:227940,CCc1cc(SC)cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c1,MYAWJMZLXKBMSW-UHFFFAOYSA-N
rxn:4:200902:222741,COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc2)CC3)cc1,MYLRJTQLARJFEA-UHFFFAOYSA-N
rxn:4:201132:224065,COc1ccc2cc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,NNOBKKSKSAXMJO-UHFFFAOYSA-N
rxn:4:202125:225617,CCN1CCN(C(=O)C2(c3ccc(-c4ccc(OC5CCCCO5)cc4)cc3)CC2)CC1,OOWXAMFQGRWAEM-UHFFFAOYSA-N
rxn:4:202284:223847,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,ZJHIIACPDCYWMP-UHFFFAOYSA-N
rxn:4:203965:223563,COc1cc(COc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3Cl)cc2C)cc(OC)c1,FWYMPWSWRCHWFY-UHFFFAOYSA-N
rxn:4:204006:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN4CCC(N(C)C)CC4)c3)cc2)CC1,KKIDNRIZCRDEEK-ALOJWSFFSA-N
rxn:4:213259:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)(C)C4)cn3)cc2)CC1,KKNKTPVFROTNKZ-UHFFFAOYSA-N
rxn:4:213991:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(CC5CCCOC5)CC4)nc3)cc2)CC1,JYBSGPVNAGVRCD-JFJJZVRQSA-N
rxn:4:221993:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN(C)C)c(C)c(C)n56)n(C)c4=O)cc3)c(F)c2)CC1,WFMFMXVAUXAGCE-DUYHBEBVSA-N
rxn:4:173551:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)cc2)CC1,GHGVBGXBWBZITB-UHFFFAOYSA-N
rxn:4:173572:224481,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(OCCCN3CCCC3)cc2)c1,UCIDTVDEIDHEME-UHFFFAOYSA-N
rxn:4:173575:222622,CCC(C)c1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,WIDRDEUDSPBKTQ-UHFFFAOYSA-N
rxn:4:173580:223787,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)cc1,FSEYSQFFJZMNOI-UHFFFAOYSA-N
rxn:4:173642:222848,CCOC(=O)c1c(C)oc2cc(-c3cc(CC)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,INCGFJBAYTUCRK-UHFFFAOYSA-N
rxn:4:173675:222630,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,RWCJUXXFHKGNEL-UHFFFAOYSA-N
rxn:4:176121:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4F)c3)cc2)CC1,BUKBFGHWUQYCKK-UHFFFAOYSA-N
rxn:4:178597:222624,CC(C)Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCNCC2)n1,IVTHAVOXJKNKOL-UHFFFAOYSA-N
rxn:4:185400:222741,CC(C)(C)[Si](C)(C)OC1CN(Cc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)C1,JEMOTROZZVEBKD-UHFFFAOYSA-N
rxn:4:187541:223748,CC(C)Oc1cc(OC2CCN(C)CC2)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,SKOSMARTTPBXOS-UHFFFAOYSA-N
rxn:4:188499:224570,CC(c1ccc(-c2cc(C(F)(F)F)c(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCN(C)CC1,XDCDWOMPSCDPAW-UHFFFAOYSA-N
rxn:4:200880:223797,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccccc4COc4cccc(C(F)(F)F)c4)cc3)CC2)CC1,POCGRVXKGXICCL-UHFFFAOYSA-N
rxn:4:200880:224058,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(C)c4C)cc3)CC2)CC1,DCQKHMSZQILYNC-UHFFFAOYSA-N
rxn:4:200880:224206,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCc4ccc(F)cc4)cc3)CC2)CC1,ISTYPOMVQBUEPD-UHFFFAOYSA-N
rxn:4:200880:224519,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(Cl)c4OCc4ccccc4)cc3)CC2)CC1,VRLRNRCWWFYTOH-UHFFFAOYSA-N
rxn:4:200880:224540,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccc(F)cc5)c4)cc3)CC2)CC1,MANJZEKKCUUZPD-UHFFFAOYSA-N
rxn:4:201132:224061,CCCC1CCC(c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)c(F)c2)CC1,NQLVURNEFUSHTG-UHFFFAOYSA-N
rxn:4:201778:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(OCC(=O)N4CCN(C)CC4)c3)cc2)CC1,SAUQXGBJZIPZJK-RQNOJGIXSA-N
rxn:4:201843:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cc([N+](=O)[O-])cc(F)c1OCC1CCN(C)CC1,NESQEUYHXLSJRY-UHFFFAOYSA-N
rxn:4:202201:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCOC(C(=O)N5CCOCC5)C4)c3)cc2)CC1,HZTIZVHCOFCSJJ-NYHQYBDOSA-N
rxn:4:202284:224494,COc1ccc(-c2ccc(CCOC3CCCCO3)cc2)cc1CN1CCC(N2CCCC2)CC1,VSZPSOFCBPDNTM-UHFFFAOYSA-N
rxn:4:202306:225555,CCN1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,JVJWEBVDDHXEAB-UHFFFAOYSA-N
rxn:4:204090:223847,CCCCCC1CCC(c2ccc(-c3cccc(CC4CCCN(C(C)C)CC4)n3)cc2)CC1,APKVMDDNUABVEE-UHFFFAOYSA-N
rxn:4:212721:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(=O)C(C)C)CC4)n3)c(F)c2)CC1,IYJVBEIFUDKVHT-RQNOJGIXSA-N
rxn:4:213243:224846,CCC1CCC(c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,DLQCLSWAWTWAEN-UHFFFAOYSA-N
rxn:4:214058:223667,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)c3)CC2)CC1,SVTQCEYORQOVFP-UHFFFAOYSA-N
rxn:4:222126:223605,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2)CC1,HRUBIYIEGCMEJV-UHFFFAOYSA-N
rxn:4:222126:224022,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1,KLXDGVNXGGJLHD-UHFFFAOYSA-N
rxn:4:222126:224853,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc2)CC1,OKHXOBLVLCWBQL-UHFFFAOYSA-N
rxn:4:222195:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2)CC1,ROSQTNNVFVTBNT-YOCNBXQISA-N
rxn:5:190200:227071:225945,COCc1cc(C)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C#CC(F)(F)F)c(F)c3)c2)c(C)c1,AALIRLHGBGAIGB-UHFFFAOYSA-N
rxn:4:173551:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OC(F)(F)F)c3)c2)cc1OCCCN1CCN(C)CC1,VXAJMGJWEDYPGE-UHFFFAOYSA-N
rxn:4:173616:222538,Cc1oc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,CATIZAXRCSDKSL-UHFFFAOYSA-N
rxn:4:173616:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)c2ccco2)cc(C2CCNCC2)n1,LPQKJESMLUWLFH-UHFFFAOYSA-N
rxn:4:174495:223892,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,KZRUZIUNGIYSGC-UHFFFAOYSA-N
rxn:4:180611:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)cc1,AZTMKZQAFOSGPE-UHFFFAOYSA-N
rxn:4:187916:223728,CCCCCC1CCC(c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)c(F)c2)CC1,KWFYWAAJWRBXTJ-UHFFFAOYSA-N
rxn:4:191097:225090,CCOCc1cc(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC)c1,JOJQHQCZYACTOP-UHFFFAOYSA-N
rxn:4:200880:224240,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(Cl)c4F)cc3)CC2)CC1,DHLFQVWYHSQBSV-UHFFFAOYSA-N
rxn:4:201132:224424,CCCC1CCC(c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)cc2)CC1,NLKZSAUXKZUNEW-UHFFFAOYSA-N
rxn:4:202306:224931,CCN1CCN(Cc2cc(-c3cc(C4CC4)nc(N(CC)CC)c3)cc(C(C)(C)C)c2)CC1,WAXCEKFAAVMJLN-UHFFFAOYSA-N
rxn:4:204006:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN4CCC(N(C)C)CC4)c3)cc2)CC1,WPUZWAQLIIPJOW-YOCNBXQISA-N
rxn:4:204116:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c(F)c2)CC1,NKLKWFCMKDQYFX-CGZQIQLYSA-N
rxn:4:213246:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,ZJKNSMVNMDEHDZ-FCMXBYMOSA-N
rxn:4:214075:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)cc3)cc2)CC1,NKDFUGNYBZOPTB-UHFFFAOYSA-N
rxn:4:221193:223877,Cc1cc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cc(C)c1OCc1cccc(Cl)c1,SZKLMPKEKZYBAL-UHFFFAOYSA-N
rxn:4:222126:224781,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)cc2)CC1,JFOABNDPGHASAQ-UHFFFAOYSA-N
rxn:4:222190:223497,Cc1nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c(C)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,JXFSCLRVVAQALF-UHFFFAOYSA-N
rxn:4:173551:224193,CCN1CCN(Cc2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)ccc2F)CC1,MASLSJHFQFQPSC-UHFFFAOYSA-N
rxn:4:173551:224496,CCN1CCN(Cc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)c2)CC1,AGIZMDKCDPOGJL-UHFFFAOYSA-N
rxn:4:173599:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OCCOC)c3cc2OC)cc(C2CCCNC2)n1,YJLHQLVGDVZYQJ-UHFFFAOYSA-N
rxn:4:173600:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)CC)cc12,WNONKGVJMCZFEE-UHFFFAOYSA-N
rxn:4:173607:222631,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(OC(=O)C(C)C)cc12,DXGJSHGFFZXNKO-UHFFFAOYSA-N
rxn:4:174496:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4)c3)cc2F)CC1,BMEJXCKOUICVJR-UHFFFAOYSA-N
rxn:4:174498:224179,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)cc3)c2)c1F,SVMQEMYNXJQHCG-UHFFFAOYSA-N
rxn:4:174567:222466,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,ABWAPXVDUDABNY-UHFFFAOYSA-N
rxn:4:176215:222538,COCCOC1CCCOc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc21,QMQMTUGJOWNSIF-UHFFFAOYSA-N
rxn:4:200606:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)c(F)c2)CC1,VSOQEQQCMOCUPK-RQNOJGIXSA-N
rxn:4:200880:224227,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(OCc5ccccc5)cc4F)cc3)CC2)CC1,QUOJVUYCLOANRB-UHFFFAOYSA-N
rxn:4:202284:224424,CCCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,MSLQUTQXGIRGAH-UHFFFAOYSA-N
rxn:4:202311:224053,Cc1cc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)cc(C)c1OCc1ccccc1,GANNQAFMPJTXGB-UHFFFAOYSA-N
rxn:4:202341:226117,Cc1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)ccc1OCC(C)C,VVTKHHLIAZZNBU-UHFFFAOYSA-N
rxn:4:207794:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)c(F)c2)CC1,JKZVQNOGOGGIKJ-AFARHQOCSA-N
rxn:4:207794:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)c(F)c2)CC1,JKZVQNOGOGGIKJ-UHFFFAOYSA-N
rxn:4:221917:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(CCC)no6)nn5)CC4)c3)cc2)CC1,KMAAKIVQVUJMRI-DIVCQZSQSA-N
rxn:4:221986:224848,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc([C@H]4CC[C@H](CC)CC4)cc3)cc2)CC1,CMPYEVJCKQGFEM-DUYHBEBVSA-N
rxn:4:222126:223666,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cc2)CC1,CGTDAYOKMIBTAC-UHFFFAOYSA-N
rxn:4:222367:224421,CC(C)c1cc(C(C)C)c(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)c(C(C)C)c1,YHACYWQSNMVBAV-UHFFFAOYSA-N
rxn:5:189540:225437:226428,COC1CN(Cc2cc(-c3cccc(CN4CCCCC4)c3)ccc2-c2cc(N3CCCCC3C)cs2)C1,XWCOFVDTRWPBLN-UHFFFAOYSA-N
rxn:4:173575:222621,CC(C)Cc1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,SIFBHMSLAWYOKO-UHFFFAOYSA-N
rxn:4:173579:222615,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c2)c1,MNRTVNVOBCCJQM-UHFFFAOYSA-N
rxn:4:173580:224178,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCN4CCN(C)CC4)c3)c2)cc1,YPRREDIZAJVSBB-UHFFFAOYSA-N
rxn:4:173606:222628,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,YLBXSBVHHTZTFL-UHFFFAOYSA-N
rxn:4:173641:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,XFRSERSHJPGGSM-UHFFFAOYSA-N
rxn:4:173642:222622,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc12,SPKUYNMCVMEQSS-UHFFFAOYSA-N
rxn:4:173799:222845,CC(c1ccc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)N1CCNCC1,AROYZJRRYACSCN-UHFFFAOYSA-N
rxn:4:174496:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4)c3)cc2Cl)CC1,MFCAHNBAUQOWMA-UHFFFAOYSA-N
rxn:4:174496:223952,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)c2)c1,IVGBQQNZXDGJBC-UHFFFAOYSA-N
rxn:4:174497:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(OC)cc4)c3)cc2)CC1,RIICZYJAIXOXTP-UHFFFAOYSA-N
rxn:4:174502:222848,CCc1cc(-c2cc(C(C)(OC)OC)cc(C(C)(C)C)c2OC)cc(C2CCCNC2)n1,HMIPZRGGFCNDET-UHFFFAOYSA-N
rxn:4:174525:222845,CCCOc1c(-c2ccc(C(C)N3CCNCC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,ZMVZIBRVFRDIRD-UHFFFAOYSA-N
rxn:4:176121:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4F)c3)cc2)CC1,ZVTGSMCCMMECOL-UHFFFAOYSA-N
rxn:4:199596:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC(F)(F)F)cc3OCCN3CCN(C)CC3)c2)CC1,IBORWILNHIBTFF-UHFFFAOYSA-N
rxn:4:200698:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,DKEUFDWFKCXVED-DIVCQZSQSA-N
rxn:4:200756:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)c(F)c2)CC1,HWOBZORYNDAVKB-DUYHBEBVSA-N
rxn:4:200880:223799,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(F)(F)F)c(OCc5ccccc5)c4)cc3)CC2)CC1,UJEYFPCNYRZQQI-UHFFFAOYSA-N
rxn:4:200884:223966,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)C2,SLKZEGDBFMSPRG-UHFFFAOYSA-N
rxn:4:202182:223892,CN1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(Cc4ccccc4)CC3)cc2)CC1,YBLBPCIWCUBPJB-UHFFFAOYSA-N
rxn:4:202228:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)C)cc(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,SJFMTLSOIMSOIX-YHBQERECSA-N
rxn:4:202311:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)cc3)cc2)CC1,CHEMMJSXMWNMIR-UHFFFAOYSA-N
rxn:4:202341:225567,Cc1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)ccc1C(=O)OC(C)C,MEVYPIQKSIGHJZ-UHFFFAOYSA-N
rxn:4:212611:222623,CCC(C)c1cc(-c2cnc(OC3CCN(CCOc4ccccc4)CC3)nc2)cc(C2CCNCC2)n1,SLZMLPUXKIAIIQ-UHFFFAOYSA-N
rxn:4:212740:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,ZYADEFBOOORVPW-OZIXAUCHSA-N
rxn:4:213782:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)o3)c(F)c2)CC1,FMSNMDJYSJIXPJ-UHFFFAOYSA-N
rxn:4:219551:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCN(C(C)C)C5=O)CC4)nc3)cc2)CC1,OBTXASSMMOZZGY-IWJLFLQVSA-N
rxn:4:221157:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2)CC1,ICUVOIDIRDMDBI-MCZWQBSQSA-N
rxn:4:221429:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5nccc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,HUGJCNZKXFRLFT-UNWRIRMBSA-N
rxn:4:222126:224807,CC(C)Oc1cc(C(F)(F)F)cc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1F,KHWREJSDRLCDQE-UHFFFAOYSA-N
rxn:4:222367:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)c2)CC1,RIMUIVMKTVWTPN-UHFFFAOYSA-N
rxn:4:222623:197965,CCC(C)c1cc(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)cc(C2CCNCC2)n1,HWJWXRGAQJCFON-UHFFFAOYSA-N
rxn:5:193968:225451:228097,CN(C)Cc1cncc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2CN2CCC3(CC2)OCCO3)c1,NQTWLEBEPDQNOY-UHFFFAOYSA-N
rxn:4:173578:222621,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c1,XEWVDXMOJJFJHC-UHFFFAOYSA-N
rxn:4:173599:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OCCOC)c3cc2OC)cc(C2CCNCC2)n1,KBENWCUYYGDYIV-UHFFFAOYSA-N
rxn:4:173600:222631,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(OC(=O)CC)cc12,SEGGNJWEBUKWKQ-UHFFFAOYSA-N
rxn:4:173606:224127,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1ccc(C(C)N2CCN(CC)CC2)cc1,WUSYERRBLZISBR-UHFFFAOYSA-N
rxn:4:173607:222623,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,ROZMVATVIHTPNA-UHFFFAOYSA-N
rxn:4:173623:222630,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OCC=C(C)C)cc12,JEOVOAXDWJJUCN-UHFFFAOYSA-N
rxn:4:174567:222624,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,VCDHWYZGYHMZLW-UHFFFAOYSA-N
rxn:4:174568:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,XGIBLBQPUGLXLA-UHFFFAOYSA-N
rxn:4:190368:222623,CCC(C)c1cc(-c2ccc(CN(C)C3CCOCC3)c(C)c2)cc(C2CCNCC2)n1,ZQZHYEPGPHRMHC-UHFFFAOYSA-N
rxn:4:199705:222616,CCN1CCN(CCCOc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)ccc2C)CC1,BLGXAYSKNNUCKN-UHFFFAOYSA-N
rxn:4:200518:224424,CCCC1CCC(c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,TYCULJNISGLLGV-UHFFFAOYSA-N
rxn:4:200694:224424,CCCC1CCC(c2ccc(-c3cc(C(C)C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,LCAKDQXVWYKUSR-UHFFFAOYSA-N
rxn:4:200880:224147,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(F)cc4OCc4ccccc4)cc3)CC2)CC1,NAVSVNXHEQEAQA-UHFFFAOYSA-N
rxn:4:202284:223760,COc1ccc(-c2cc(OC)c(OCc3ccccc3)cc2OC)cc1CN1CCC(N2CCCC2)CC1,JEPHCZPFMCHJNO-UHFFFAOYSA-N
rxn:4:202284:224570,COc1ccc(-c2ccc(C(C)N3CCN(C)CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,WOSMNEYYRPTYAN-UHFFFAOYSA-N
rxn:4:202284:226452,COc1ccc(-c2ccc(C3OCCCO3)cc2)cc1CN1CCC(N2CCCC2)CC1,ZRMJCPFVZZLWSR-UHFFFAOYSA-N
rxn:4:202341:224959,CC(C)N1CCN(Cc2cc(-c3ccc(OCC4CCCCO4)cc3)cc(C(C)(C)C)c2)CC1,SSADUPZGAPTYMF-UHFFFAOYSA-N
rxn:4:203935:224424,CCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3OC)cc2)CC1,FXVYYYOHPQQTLG-UHFFFAOYSA-N
rxn:4:204070:225043,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(F)c1,YSSZYQLPDBNTJU-UHFFFAOYSA-N
rxn:4:207794:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)cc2)CC1,VMIOIIKIFRCCSB-UHFFFAOYSA-N
rxn:4:212710:224424,CCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(COc5ncnc(C)c5C)CC4)cc3)cc2)CC1,GKJLXBUVAUQQFC-UHFFFAOYSA-N
rxn:4:212740:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,HLBGSVNIOBHCFK-UHFFFAOYSA-N
rxn:4:213387:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)ncn4CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,KLZNOOBPEQBDMP-YOCNBXQISA-N
rxn:4:219155:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(C)cn5)C4)c3)cc2)CC1,ZRIVNYPFTBQBQG-UHFFFAOYSA-N
rxn:4:221108:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)Cn5cnc(C)c(C)c5=O)CC4)nc3)cc2)CC1,CSZOKQYCHNDBOD-FBSWEULCSA-N
rxn:4:221535:224424,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,OQMZARVVVXTGAP-UHFFFAOYSA-N
rxn:4:221986:224846,CCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(CC)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,CMPYEVJCKQGFEM-UHFFFAOYSA-N
rxn:4:222126:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SHLREPMZEWHDBP-KWQFAZJVSA-N
rxn:4:222126:225332,CCOc1ccc(OC(F)(F)F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,JPXXRGGGNBTJBN-UHFFFAOYSA-N
rxn:4:173599:222624,COCCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC)cc12,QWFFVSFFZVPPIT-UHFFFAOYSA-N
rxn:4:173607:222740,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,IAZMGTMUKMTGJZ-UHFFFAOYSA-N
rxn:4:173607:224127,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)c(OC(=O)C(C)C)cc12,SKHNGHRTEHAOLF-UHFFFAOYSA-N
rxn:4:174500:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(OC)ccc4F)c3)cc2)CC1,RVRLCGVTRJEIBM-UHFFFAOYSA-N
rxn:4:175939:222628,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,BONWGYVIVWLUFJ-UHFFFAOYSA-N
rxn:4:176133:223892,CN1CCN(CCCOc2ccc(-c3cc(OC(C)(C)C)cc(OC(C)(C)C)c3)cc2)CC1,FIEQWDKONXHTHP-UHFFFAOYSA-N
rxn:4:176164:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(C)c4F)c3)cc2)CC1,WWYLTPCQDZHVIB-UHFFFAOYSA-N
rxn:4:184100:222845,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(C)N3CCNCC3)cc2)c1,SGNBKODCGOZZPH-UHFFFAOYSA-N
rxn:4:200880:224122,COc1ccc(CSc2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)cc1,MOZYKSJKQAOFTF-UHFFFAOYSA-N
rxn:4:200880:224559,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(SCc5ccccc5F)cc4)cc3)CC2)CC1,KXNICUZZPMOLRK-UHFFFAOYSA-N
rxn:4:201760:223497,CC(c1ccc(-c2ccc(CC(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,GLOQGVSPKOSNTM-UHFFFAOYSA-N
rxn:4:201953:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(C(=O)OC)c3)c(F)c2)CC1,ZSNPFIVNJBQHEJ-RQNOJGIXSA-N
rxn:4:202284:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2C)c1,LAXGLEYHCVFUOC-UHFFFAOYSA-N
rxn:4:202284:223647,COc1cc(COc2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2Cl)cc(OC)c1,IRYDQJSEBJCNSC-UHFFFAOYSA-N
rxn:4:202284:223759,COc1cc(COc2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)cc(OC)c1,SOTZIYISYHIREB-UHFFFAOYSA-N
rxn:4:202284:223883,COc1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1CN1CCC(N2CCCC2)CC1,YIPAVAVQABDQTM-UHFFFAOYSA-N
rxn:4:202284:224158,COc1ccc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)cc1CN1CCC(N2CCCC2)CC1,XOFCERCNFYUOLT-UHFFFAOYSA-N
rxn:4:202284:224598,COc1ccc(-c2ccc(N3CCC(C)CC3)cc2OC)cc1CN1CCC(N2CCCC2)CC1,NOXICFWLZPDFLM-UHFFFAOYSA-N
rxn:4:204032:224424,CCCC1CCC(c2ccc(-c3ccc(C4(C(=O)N5CCN(C)CC5)CC4)cc3)cc2)CC1,XEJZMLURNSCTIW-UHFFFAOYSA-N
rxn:4:204092:224120,Cc1cc(-c2ccc(CN3CCC(N(C)C)CC3)c(C)c2)ccc1CO[Si](C)(C)C(C)(C)C,NSNWMAOPDNNLMM-UHFFFAOYSA-N
rxn:4:212737:225407,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCCCC4)cc3)c2)CC1,JZLHPOGZRUPKDE-UHFFFAOYSA-N
rxn:4:212745:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLYVZRHOVCYFGP-UHFFFAOYSA-N
rxn:4:213091:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(CN4CCC(COc5cnccn5)CC4)cc3)cc2)CC1,CDLCKQQWVDFMBB-UHFFFAOYSA-N
rxn:4:214058:224424,CCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,SYLVYPVNRXXEKI-UHFFFAOYSA-N
rxn:4:221108:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C(=O)Cn5cnc(C)c(C)c5=O)CC4)nc3)cc2)CC1,NGBIODIZWRJYKF-UHFFFAOYSA-N
rxn:4:222622:174491,CCC(C)c1cc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,IPNAXNQTHSCQKS-UHFFFAOYSA-N
rxn:5:190200:225407:227979,COc1cc(C)cc(C)c1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C3CCCCCC3)cc2)c1,GZIPIBGAGHDABZ-UHFFFAOYSA-N
rxn:4:173641:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCNCC2)n1,BFUYQNHSNUXOEP-UHFFFAOYSA-N
rxn:4:173675:222624,Cc1oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,FTNVJSOGGYJKDZ-UHFFFAOYSA-N
rxn:4:185211:223892,CN1CCN(CCCOc2ccc(-c3cc(C(C)(C)C)c([N+](=O)[O-])cc3OCc3ccccc3)cc2)CC1,UHHRZMHBTJALHV-UHFFFAOYSA-N
rxn:4:200698:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,YEOHECHFXVZURW-MCZWQBSQSA-N
rxn:4:200880:224057,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(C)cc4OCc4ccccc4)cc3)CC2)CC1,NCNCSEKBHPGJFC-UHFFFAOYSA-N
rxn:4:201835:224668,CCN1CCN(c2cc(F)cc(-c3cc(OC(F)F)cc(N4CCN(CC)CC4)c3)c2)CC1,GWHFAFMQGYEKEW-UHFFFAOYSA-N
rxn:4:202092:224059,COc1c(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,KQYCZPOHMQBDAZ-UHFFFAOYSA-N
rxn:4:202284:224846,CCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,KIJHMYVPJZFTDG-UHFFFAOYSA-N
rxn:4:202311:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)cc3)cc2)CC1,CHEMMJSXMWNMIR-DUYHBEBVSA-N
rxn:4:204094:224494,Cc1cc(CN2CCN(C(C)C)CC2)cc(-c2ccc(CCOC3CCCCO3)cc2)c1,ADUKKKUITFWFTH-UHFFFAOYSA-N
rxn:4:212737:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,OHWGYCXAGSZKFG-UHFFFAOYSA-N
rxn:4:212740:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,FJLHAMQUQQDMBL-UHFFFAOYSA-N
rxn:4:213265:223743,Cc1ccc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)cc1OCCCN1CCC(C)CC1,VQRFCNGNTCQVHL-UHFFFAOYSA-N
rxn:4:214078:223849,CCCCCc1ccc(-c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)cc1,HSTDAZJICRINPP-UHFFFAOYSA-N
rxn:4:219569:224424,CCCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)cc2)CC1,SFJBGOMBADMMGF-UHFFFAOYSA-N
rxn:4:221110:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)c(F)c2)CC1,MRMXHADSLGQLMD-OGESRWMOSA-N
rxn:4:221110:224853,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(C5CCC(C)(C)CC5)cc4)cn3)CC2)CC1,ORPGUNHLFOHVSV-UHFFFAOYSA-N
rxn:4:221193:223667,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cn3)C2)CC1,VEWCOPXGNBPFOX-UHFFFAOYSA-N
rxn:4:221538:224424,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,WBMXILNYEQDFSG-UHFFFAOYSA-N
rxn:4:221986:225407,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCCCC4)cc3)cc2)CC1,RQQRKNFRINPQFR-UHFFFAOYSA-N
rxn:4:222126:225542,CCCCCc1ccc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)c(F)c1F,QDIKEZLBIMZPGH-UHFFFAOYSA-N
rxn:4:222621:175939,COc1cc(COC2CCCCO2)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,RSXPOUBMDONTEJ-UHFFFAOYSA-N
rxn:4:222622:185896,CCC(C)c1cc(-c2c(C#N)cc(C(F)(F)F)cc2C(=O)OC)cc(C2CCCNC2)n1,IICSWUGIBYEOBF-UHFFFAOYSA-N
rxn:5:190741:226583:225439,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1cccc(C(C)N2CCCC2)c1,BSXRIZMFQRTWNQ-UHFFFAOYSA-N
rxn:4:173553:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc2)CC1,JALZKHANRSEOGB-UHFFFAOYSA-N
rxn:4:173607:222538,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,KYIACCXKIPEVFB-UHFFFAOYSA-N
rxn:4:173616:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)c3ccco3)c2)CC1,PIERAAYJSCKWTK-UHFFFAOYSA-N
rxn:4:174593:223892,COC(=O)c1c(C)oc2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c(OC(=O)C(C)(C)C)cc12,RBSYHDCCIHXTEG-UHFFFAOYSA-N
rxn:4:175939:222537,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,JTNPJFJWKSFLOM-UHFFFAOYSA-N
rxn:4:175939:222538,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,OZUMDELAOYPJTQ-UHFFFAOYSA-N
rxn:4:175939:222629,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,WDNLRSJCLRAXNG-UHFFFAOYSA-N
rxn:4:176087:223894,CC(C)COc1ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1C(C)(C)C,DWRHBUOIIJEMNO-UHFFFAOYSA-N
rxn:4:184205:222845,CC(c1ccc(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1)N1CCNCC1,QFKNYXGDWNTITL-UHFFFAOYSA-N
rxn:4:199710:222628,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)nc2)CC1,ZAQVXWLPRDTXEB-UHFFFAOYSA-N
rxn:4:200880:223795,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)cc4C(F)(F)F)cc3)CC2)CC1,MRXMWSCWUBHAQT-UHFFFAOYSA-N
rxn:4:202019:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,ZXLIPGLAOPQFTH-YHBQERECSA-N
rxn:4:202284:222434,COc1ccc(-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)cc1CN1CCC(N2CCCC2)CC1,PUOSRKDUYQABQJ-UHFFFAOYSA-N
rxn:4:202341:224853,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc(C(C)(C)C)c2)CC1,CLJWMUMUSMDGCV-UHFFFAOYSA-N
rxn:4:204066:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(C)cc(C(=O)N4CCC(N(C)C)CC4)c3)cc2C)c1,INUKJWVRNMCPSR-UHFFFAOYSA-N
rxn:4:204096:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(C(C)C)CC4)c3)c(F)c2)CC1,PIWGQSQUUULFEY-BUZHSDJQSA-N
rxn:4:204100:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)cc2)CC1,XWSIYYOQEXQULA-DIVCQZSQSA-N
rxn:4:204116:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCOC5)CC4)c3)c(F)c2)CC1,NKLKWFCMKDQYFX-UHFFFAOYSA-N
rxn:4:204117:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,PAAQRUJIPHXJMP-UHFFFAOYSA-N
rxn:4:213243:224055,Cc1cc(OCc2ccccc2)cc(C)c1-c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1,LUHGHQDLUFEELL-UHFFFAOYSA-N
rxn:4:213398:224424,CCCC1CCC(c2ccc(-c3ccc(-c4nc(=S)c5c(n4CCCN(C)C)CCCC5)cc3)cc2)CC1,RZBJOCXEGQXNJD-UHFFFAOYSA-N
rxn:4:221110:224424,CCCC1CCC(c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)cc2)CC1,QTZRQKURKXCJDR-UHFFFAOYSA-N
rxn:4:222195:224424,CCCC1CCC(c2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2)CC1,ROSQTNNVFVTBNT-UHFFFAOYSA-N
rxn:4:222389:175939,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,SMQRXBZBIAHIFO-UHFFFAOYSA-N
rxn:4:222623:174482,CCC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(F)(F)F)cc3)c2)cc(C2CCNCC2)n1,FUKIUHXNOWHJDP-UHFFFAOYSA-N
rxn:4:222623:175939,CCC(C)c1cc(-c2ccc(COC3CCCCO3)cc2OC)cc(C2CCNCC2)n1,BJOXCKKJIGTRSL-UHFFFAOYSA-N
rxn:5:193968:227528:227714,COC(=O)c1ccc(-c2ccc(-c3ccc(SC(F)(F)F)cc3)c(CN3CCC4(CC3)OCCO4)c2)cc1F,CWBIYEDJOYXQDZ-UHFFFAOYSA-N
rxn:4:173550:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC(F)(F)F)c3)cc2)CC1,YBUWXBHSPMAFJD-UHFFFAOYSA-N
rxn:4:173551:224570,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OC(F)(F)F)c3)c2)cc1)N1CCN(C)CC1,KVQWRWAPWZMHJU-UHFFFAOYSA-N
rxn:4:173607:222630,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,FPDUYXCGAGTITK-UHFFFAOYSA-N
rxn:4:173643:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)C(C)(C)C)cc(C2CCCNC2)n1,DJOOPWXTTGFFNP-UHFFFAOYSA-N
rxn:4:174481:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(C(F)(F)F)c4)c3)cc2)CC1,QNFNWIQUYITWIJ-UHFFFAOYSA-N
rxn:4:174495:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC)c3)cc2)CC1,WDYOVUNQXFHZSZ-UHFFFAOYSA-N
rxn:4:185371:223497,CC(c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,YERWEJBQCJTXTE-UHFFFAOYSA-N
rxn:4:187622:223497,CC1CCN(Cc2ccc(OC(C)C)c(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CC1,MHTCYVJBJZVQCD-UHFFFAOYSA-N
rxn:4:200865:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,UPZVYUUROUEQHI-CEVRMGPUSA-N
rxn:4:200880:223952,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4)cc3)CC2)CC1,ZULJBALNSGPSML-UHFFFAOYSA-N
rxn:4:200880:224439,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C)c(OCc5ccccc5)c4)cc3)CC2)CC1,BNBSZEGLWRVUDU-UHFFFAOYSA-N
rxn:4:200880:224550,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(Cl)c4)cc3)CC2)CC1,PZMJOSXIJGZYOX-UHFFFAOYSA-N
rxn:4:200880:225427,CCCCOc1c(C)cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)cc1C,QFHDVCZVRXIENL-UHFFFAOYSA-N
rxn:4:202122:226009,COc1cc(OC(F)(F)F)ccc1-c1ccc(C(=O)N2CCC(N(C)C)CC2)cc1OC,QCPQEMYEIHDGPK-UHFFFAOYSA-N
rxn:4:202274:223743,Cc1ccc(-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)cc1OCCCN1CCC(C)CC1,OJFHSYSJCLVCHL-NOCHOARKSA-N
rxn:4:202284:223753,COc1ccc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc1CN1CCC(N2CCCC2)CC1,XYJFPSCULBBHKC-UHFFFAOYSA-N
rxn:4:202306:225427,CCCCOc1c(C)cc(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)cc1C,XXTSSHGGROWDCN-UHFFFAOYSA-N
rxn:4:204140:224127,CCN1CCN(C(C)c2ccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2)CC1,VEOCVAGOWTXYGL-UHFFFAOYSA-N
rxn:4:211056:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)C(N3CCN(C)CC3)CC4)cc2)CC1,LDISHLYTIDDMOT-UHFFFAOYSA-N
rxn:4:212567:222623,CCC(C)c1cc(-c2cnc(OC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nc2)cc(C2CCNCC2)n1,ZRTNRAMYTCHWCJ-UHFFFAOYSA-N
rxn:4:212748:225407,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCCCCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,DMKNZFQTTQBAOJ-UHFFFAOYSA-N
rxn:4:212839:225407,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CCCCCC5)cc4)ccn23)CC1,UCHPGSAUOOQCEK-UHFFFAOYSA-N
rxn:4:213282:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)cc2)CC1,YNNCDUXFNZCQQU-QHFDLUPOSA-N
rxn:4:218892:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C)nn5)C4)c3)cc2)CC1,GDYQWOQBISRXTN-PECFQXNXSA-N
rxn:4:219144:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)cc2)CC1,ZCXRKGVTWWIZNM-DIVCQZSQSA-N
rxn:4:219769:225407,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C5CCCCCC5)cc4)cc2)OC3)CC1,RYQVRWYUWRDNFM-UHFFFAOYSA-N
rxn:4:221157:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2)CC1,DLWPHCLVJACXCV-DIVCQZSQSA-N
rxn:4:221221:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nccn6n5)CC4)c3)cc2)CC1,HYUITBJTNGFENK-FBSWEULCSA-N
rxn:4:221410:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(c5cc(N(C)C)ncn5)CC4)cc3)cc2)CC1,QUAHOJMERYERPR-UHFFFAOYSA-N
rxn:4:221954:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(CC)no6)nn5)CC4)c3)cc2)CC1,DWQABMFHHCQXPI-UHFFFAOYSA-N
rxn:4:221986:224853,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCC(C)(C)CC4)cc3)cc2)CC1,LIPKPOCZRIKQJD-UHFFFAOYSA-N
rxn:4:221986:224877,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COC4CCCCC4)cc3)cc2)CC1,DZUFPQVKPCPIRF-UHFFFAOYSA-N
rxn:4:221986:225823,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(C)C)cc(C(F)(F)F)c3)cc2)CC1,UYKYIACCWHXWJW-UHFFFAOYSA-N
rxn:4:222126:222434,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)cc3)cc2)CC1,IOKWGWQRPDFYNX-UHFFFAOYSA-N
rxn:4:222126:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,LMVSEIRZBVHIHO-YOCNBXQISA-N
rxn:4:222367:223846,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc(C2CC3CCC2(C)C3(C)C)c1,GZUONTBSTZOODH-UHFFFAOYSA-N
rxn:5:193968:226155:228625,CCc1ccc(-c2ccc(-c3cc(C(C)=O)cc(C4CC4)c3)cc2CN2CCC3(CC2)OCCO3)c(F)c1,VPLODHDSLGJJBT-UHFFFAOYSA-N
rxn:4:173551:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)cc2)CC1,AUHDLYMFMNFTBS-UHFFFAOYSA-N
rxn:4:174508:224126,CCN1CCN(C(C)c2cccc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)c2)CC1,ZCWGMTLFHUKUIY-UHFFFAOYSA-N
rxn:4:199705:222624,CCN1CCN(CCCOc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc2C)CC1,QDURNANUTQUNOJ-UHFFFAOYSA-N
rxn:4:200858:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(Oc3ccccc3)c2)c1,MWNGEOFVKMBQKQ-UHFFFAOYSA-N
rxn:4:200880:223800,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4)cc3)CC2)CC1,SKOBMRRIYQMPTH-UHFFFAOYSA-N
rxn:4:200880:224150,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(C)c(OCc5ccccc5)c4)cc3)CC2)CC1,HMFZACJGDJFIIJ-UHFFFAOYSA-N
rxn:4:200880:224545,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5)c4)cc3)CC2)CC1,IUFXPZAPEJOEGS-UHFFFAOYSA-N
rxn:4:200880:224553,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)cc4Cl)cc3)CC2)CC1,XMVLLTWWNRMBQL-UHFFFAOYSA-N
rxn:4:200880:226917,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)cc(C(C)(C)C)c4)cc3)CC2)CC1,UXEFRBNZDNFOTE-UHFFFAOYSA-N
rxn:4:201987:224061,CCCC1CCC(c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)c(F)c2)CC1,JFYBOMUIVXUDGO-UHFFFAOYSA-N
rxn:4:202122:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)cc2)CC1,FYUXCVGWIGVHSL-YHBQERECSA-N
rxn:4:202306:224848,CCN1CCN(Cc2cc(-c3ccc([C@H]4CC[C@H](CC)CC4)cc3)cc(C(C)(C)C)c2)CC1,OWDSPKJURAABTQ-YOCNBXQISA-N
rxn:4:203813:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CC(=O)N4CCN(C)CC4)ccc3Cl)cc2)CC1,VSWLJFYBNBPCNX-AFARHQOCSA-N
rxn:4:204072:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCN(C(C)C)CC4)ccc3C)c(F)c2)CC1,JBMYRBAUGDJPNO-DIVCQZSQSA-N
rxn:4:212745:225407,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCCCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,YVEBSARWPZYFLB-UHFFFAOYSA-N
rxn:4:213007:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)c5ccc(OC)c(F)c5)C4)nc3)cc2)CC1,HYCCCYMCCVGVRN-RSSXGHEXSA-N
rxn:4:213175:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccnc(C)c5)CC4)c3)cc2)CC1,PDOPKSDQSTVJGR-UHFFFAOYSA-N
rxn:4:213282:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)cc2)CC1,ADAZAUCFXUFBLK-GRINGSDRSA-N
rxn:4:213752:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CCC)CC4)cn3)cc2)CC1,BBECAKXCTMYNTG-YOCNBXQISA-N
rxn:4:213830:224424,CCCC1CCC(c2ccc(-c3cnn(CC4CCN(CC(C)C)CC4)c3)cc2)CC1,QCSQICWWXDKJHB-UHFFFAOYSA-N
rxn:4:214017:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(C)ccc5=O)CC4)cc3)cc2)CC1,MQJRREIVRWYDGU-KWQFAZJVSA-N
rxn:4:214082:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,PFEYKGUTNODHPS-OGESRWMOSA-N
rxn:4:221193:224138,Cc1cc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)ccc1OCc1cccc(Cl)c1,PLDQMNYWMNIWNF-UHFFFAOYSA-N
rxn:4:221965:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2)CC1,SUGMEAUCZKXEOC-WXUXXXNLSA-N
rxn:4:221986:224936,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CC(=O)OC(C)(C)C)cc3)cc2)CC1,YLSCCVHNMXFDJG-UHFFFAOYSA-N
rxn:4:222622:174570,CCCCCCC1CC(=O)c2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)ccc2O1,AGBZMLUESGOAMZ-UHFFFAOYSA-N
rxn:4:222622:185164,CCC(C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cc(C2CCCNC2)n1,LMOXTDUSZUGYEA-UHFFFAOYSA-N
rxn:5:193463:226654:225462,CC1CCN(c2cccc(-c3cc(-c4csc(N5CCC(C)CC5)n4)ccc3CN3CCC(=O)CC3)c2)CC1,GQONMWFEERIQRN-UHFFFAOYSA-N
rxn:4:173508:222742,COc1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)ccc1OCCOC1CCCCO1,YFDBZJIQHKFSFZ-UHFFFAOYSA-N
rxn:4:173546:223892,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3OCc3ccccc3)cc2)CC1,AFFVEZCXLIOMFA-UHFFFAOYSA-N
rxn:4:173553:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc2)CC1,PEMVLJQSKZVGQG-UHFFFAOYSA-N
rxn:4:173579:223787,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)c1,DCRNMXVQPNSXIQ-UHFFFAOYSA-N
rxn:4:173580:222623,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c2)cc1,XDPGWLYSXYNNJB-UHFFFAOYSA-N
rxn:4:173616:224178,Cc1oc2cc(-c3cccc(OCCN4CCN(C)CC4)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,WMZTWRGFVMUCEW-UHFFFAOYSA-N
rxn:4:173642:223892,CCOC(=O)c1c(C)oc2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c(OC(=O)C(C)(C)C)cc12,KMLMGOUZHXPTOE-UHFFFAOYSA-N
rxn:4:174495:223787,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c1,BQKWWBXWZCKODF-UHFFFAOYSA-N
rxn:4:174496:223787,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)c1,NYEYFEMDKNHMDE-UHFFFAOYSA-N
rxn:4:174499:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(OC)cc4F)c3)cc2)CC1,WIBVTXIOHKFSOZ-UHFFFAOYSA-N
rxn:4:174570:222624,CCCCCCC1CC(=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc2O1,NOOUYQBWYZRDEO-UHFFFAOYSA-N
rxn:4:178597:222389,CC1(C)OC2OC(C(=O)Oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)C3OC(C)(C)OC3C2O1,XBWFQVXDIUKPPQ-UHFFFAOYSA-N
rxn:4:200756:223728,CCCCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)c(F)c2)CC1,HWOBZORYNDAVKB-UHFFFAOYSA-N
rxn:4:200789:223497,CC(c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cc2F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,XZDFBNGBJUCPTG-UHFFFAOYSA-N
rxn:4:200880:223801,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cc3)CC2)CC1,KWORGEXJRMGFFM-UHFFFAOYSA-N
rxn:4:200880:224208,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCc4cccc(Cl)c4)cc3)CC2)CC1,HOFZKIAKXCGVBQ-UHFFFAOYSA-N
rxn:4:200880:224440,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)cc(OCc5ccccc5)c4)cc3)CC2)CC1,LKIYPTNIQOJVOM-UHFFFAOYSA-N
rxn:4:202017:224424,CCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(C)CC4)c(OC)c3)cc2)CC1,FPCNBMZXNHKZDB-UHFFFAOYSA-N
rxn:4:202161:224849,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C2CCCC2)cc(C2CC2)c1,WJDUJDXIRMSRKR-UHFFFAOYSA-N
rxn:4:202284:222437,COc1ccc(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1CN1CCC(N2CCCC2)CC1,YUQVHIFOTRFQIW-UHFFFAOYSA-N
rxn:4:202284:222539,COc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1CN1CCC(N2CCCC2)CC1,MIDPESMRSOVSAA-UHFFFAOYSA-N
rxn:4:202284:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)c(F)c2)CC1,YWJXOOTVWDWAGP-SOAUALDESA-N
rxn:4:202284:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)c1,CKJQTOKIGCKPQG-UHFFFAOYSA-N
rxn:4:202312:224104,COc1cc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)ccc1OCc1ccccc1,WIVUYOWKKRQIDN-UHFFFAOYSA-N
rxn:4:204140:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)cc2C)c1,FBEHVJAZKBBRNN-UHFFFAOYSA-N
rxn:4:204140:224493,CN1CCN(Cc2cc(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,DZMJDGUTMNCRQO-UHFFFAOYSA-N
rxn:4:212721:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(=O)C(C)C)CC4)n3)cc2)CC1,DHWQTOZJZWOZHD-SOAUALDESA-N
rxn:4:212737:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,DGSQWLZVHSVMOU-OZIXAUCHSA-N
rxn:4:214078:223731,CCN1CCN(Cc2ccc(-c3cccc(COc4cc(C)ccc4C(C)C)c3)cc2N2CCCCC2)CC1,JXQRMDUQORBJSG-UHFFFAOYSA-N
rxn:4:214900:223562,CN1CCN(Cc2ccc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2N2CCCCC2)CC1,LRVYDOAHXFPDKT-UHFFFAOYSA-N
rxn:4:218769:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)c(F)c2)CC1,GWQWOHGDRHQDDP-MCZWQBSQSA-N
rxn:4:221918:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)C4)cc3)cc2)CC1,WHYZLHYNLXQLSG-NYHQYBDOSA-N
rxn:4:221986:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(CC)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,XFXZTIFCTZXQBU-KWQFAZJVSA-N
rxn:4:221986:225765,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(F)c(OCC(C)C)c3F)cc2)CC1,FTPMWGJZSOSFMB-UHFFFAOYSA-N
rxn:4:221986:225776,CCCc1cc(-c2ccc(Cn3c(CN4CCN(CC)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C(F)(F)F)c1,AATMPWNUHSOYKY-UHFFFAOYSA-N
rxn:4:222126:224846,CCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,RNEBYHNQIPBMLG-UHFFFAOYSA-N
rxn:4:173508:222629,COc1cc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)ccc1OCCOC1CCCCO1,WFBZXXOWBBFPDW-UHFFFAOYSA-N
rxn:4:173604:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc12,SXEJVUIUDQPJQV-UHFFFAOYSA-N
rxn:4:173642:222542,CCOC(=O)c1c(C)oc2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,AGIAIVJPAHOHPM-UHFFFAOYSA-N
rxn:4:173643:222630,COC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OCC(=O)C(C)(C)C)cc12,OOXUSQBYNGCYLZ-UHFFFAOYSA-N
rxn:4:174500:223892,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1,HSOHXVYYEDNZIO-UHFFFAOYSA-N
rxn:4:174508:224496,CCN1CCN(Cc2cccc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)c2)CC1,BALSDDZMVGDBQY-UHFFFAOYSA-N
rxn:4:180516:223892,COc1ccc(C2OCC(C)(C)CO2)cc1-c1ccc(OCCCN2CCN(C)CC2)cc1,PIJBWGPWIAGRDZ-UHFFFAOYSA-N
rxn:4:199577:223892,CN1CCN(CCCOc2ccc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,GALSWEHHKKMOEO-UHFFFAOYSA-N
rxn:4:200880:224109,COc1cccc(COc2cccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c2)c1,YTNLQDVLLUDURG-UHFFFAOYSA-N
rxn:4:200880:224151,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(OCc5ccccc5)c(Cl)c4)cc3)CC2)CC1,LUXOORAKFXJTES-UHFFFAOYSA-N
rxn:4:200880:224426,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C5CCCCC5)cc(C5CC5)c4)cc3)CC2)CC1,ZJJYMMDNBOPAAD-UHFFFAOYSA-N
rxn:4:201949:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(CN4CCN(C)CC4)c3)c(F)c2)CC1,JQQRDJAHXKEWJR-RQNOJGIXSA-N
rxn:4:201956:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,DXZNRKFDBWOQBU-SOAUALDESA-N
rxn:4:201989:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)c(F)c2)CC1,YGRNAVRHCXHKIA-UHFFFAOYSA-N
rxn:4:202122:224177,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cc(Cl)c(OC(C)C)c(OCC(C)C)c1,TURZRXILSXUSNJ-UHFFFAOYSA-N
rxn:4:202139:223563,COc1cc(COc2c(C)cc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C(F)(F)F)cc2C)cc(OC)c1,BHTKWDGAQKQPGD-UHFFFAOYSA-N
rxn:4:202275:223760,COc1cc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCC(OC)C4)CC3)c2)c(OC)cc1OCc1ccccc1,LBJDXRVOFBTROC-UHFFFAOYSA-N
rxn:4:202284:223745,COc1ccc(-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)cc1CN1CCC(N2CCCC2)CC1,DNAMVMMQKJRULL-UHFFFAOYSA-N
rxn:4:204012:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,SDIXVCSSPMDREA-RQNOJGIXSA-N
rxn:4:204052:223847,CCCCCC1CCC(c2ccc(-c3cccc(N4CCN(C(C)C)CC4)c3OC)cc2)CC1,REUAMCQINPWIRW-UHFFFAOYSA-N
rxn:4:204075:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3C)c(F)c2)CC1,RSTGSNCPUFHGFF-DIVCQZSQSA-N
rxn:4:214082:222434,CC(C)N1CCN(Cc2ccc(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)cc3)cc2N2CCOCC2)CC1,QLIKQFYYTMRCIH-UHFFFAOYSA-N
rxn:4:219077:224424,CCCC1CCC(c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc(OC)c(F)c6)CC5)[nH]n4)cc3)cc2)CC1,QWQAQVMZIIGVLH-UHFFFAOYSA-N
rxn:4:220229:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c(-c5noc(C)n5)c5n(c4=O)CCCCC5)cc3)cc2)CC1,GEFGVDMZUYMALY-FBSWEULCSA-N
rxn:4:221916:224424,CCCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(CC)no6)nn5)CC4)cc3)cc2)CC1,DCWBHSYSECWNNX-UHFFFAOYSA-N
rxn:4:222126:224352,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2)CC1,BARAZYWTKWFIBN-UHFFFAOYSA-N
rxn:4:222195:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)c(F)c2)CC1,IRZQWUWHSMGKAL-ALOJWSFFSA-N
rxn:5:190307:227209:222957,Cc1cc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)cc2CCN2CCC(C)CC2)cc(C2CCCNC2)c1,ZJOGVUBHTVSHCW-UHFFFAOYSA-N
rxn:4:173572:222684,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,CESUECQUADFMSB-UHFFFAOYSA-N
rxn:4:173600:222740,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,GUQZINCOSPOWBE-UHFFFAOYSA-N
rxn:4:173607:222730,CCCc1cc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)C(C)C)cc(C2CCNCC2)n1,SFEAZBRLXJNIFB-UHFFFAOYSA-N
rxn:4:173623:222848,CCOC(=O)c1c(C)oc2cc(-c3cc(CC)nc(C4CCCNC4)c3)c(OCC=C(C)C)cc12,MDJKVDHURFPCSD-UHFFFAOYSA-N
rxn:4:174567:222629,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,IXUAUUJVKPGVCV-UHFFFAOYSA-N
rxn:4:175402:223497,COc1cc(COC(C)C)ccc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,NENQGMIQAKVRGH-UHFFFAOYSA-N
rxn:4:175869:223895,CCc1cc(-c2ccc(OCCN3CCN(CC)CC3)cc2)ccc1C(=O)OC(C)(C)C,UTJWKXZMNKORFF-UHFFFAOYSA-N
rxn:4:176164:223892,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1F,CQCDSHNFXDWKHT-UHFFFAOYSA-N
rxn:4:178597:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2F)CC1,PRXNQHKPBYVUJQ-UHFFFAOYSA-N
rxn:4:180494:223892,CN1CCN(CCCOc2ccc(-c3cc(C4CCCCO4)ccc3C3CC3)cc2)CC1,CLZPRIJOJNYPMH-UHFFFAOYSA-N
rxn:4:185086:222616,Cc1cc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)ccc1OCCCN1CCOCC1,GTBVOSFGXPCPNY-UHFFFAOYSA-N
rxn:4:200518:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,HBRLRGPOYFTGPX-SOAUALDESA-N
rxn:4:200758:224424,CCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(C(C)C)CC4)c(OC)c3)cc2)CC1,AGACYLAIQHMLOG-UHFFFAOYSA-N
rxn:4:200880:223760,COc1cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c(OC)cc1OCc1ccccc1,IWTNXTFBNLDKJC-UHFFFAOYSA-N
rxn:4:200880:224123,COc1cc(OCc2ccccc2)cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c1,DCDPKLMVPJGXLG-UHFFFAOYSA-N
rxn:4:200880:224261,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3)CC2)CC1,JZHMUWXLEFHBIR-UHFFFAOYSA-N
rxn:4:202341:226181,CC(C)N1CCN(Cc2cc(-c3ccc(C4=CCCCC4)nc3)cc(C(C)(C)C)c2)CC1,DEGMHZTUISGASQ-UHFFFAOYSA-N
rxn:4:203859:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)C4)cc3)cc2)CC1,YTEWUQOGWGZYEE-UHFFFAOYSA-N
rxn:4:204009:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN4CCN(C(C)C)CC4)c3)cc2)CC1,IEXOOAJUTVGQLM-DUYHBEBVSA-N
rxn:4:204070:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)cc2)CC1,KWCPRLKVQQHQSG-UHFFFAOYSA-N
rxn:4:204140:223743,Cc1ccc(-c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)cc1OCCCN1CCC(C)CC1,RGLYEHQSLUMFLH-UHFFFAOYSA-N
rxn:4:207036:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCN(C)CC4)cc3)cc2)CC1,ZZCDZIIBPYYIRZ-DUYHBEBVSA-N
rxn:4:207085:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,UJZQGDWGHRYUGX-DIVCQZSQSA-N
rxn:4:207782:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CC(C(=O)N3CCN(C)CC3)O4)cc2)CC1,VEPMVALGSNGNJZ-TUNMPCEVSA-N
rxn:4:213266:224846,CCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,WYFPXIBEXJDICZ-UHFFFAOYSA-N
rxn:4:213782:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)o3)cc2)CC1,YRMRHNQRKPJBAZ-DUYHBEBVSA-N
rxn:4:214057:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)c(F)c2)CC1,HUTSOCWNTQDQAG-UHFFFAOYSA-N
rxn:4:214078:223662,CCN1CCN(Cc2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])cc2N2CCCCC2)CC1,IVXRXKWCJXTOKF-UHFFFAOYSA-N
rxn:4:222017:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C)no6)nn5)CC4)c3)cc2)CC1,ANUIGFRUXXUSBT-UHFFFAOYSA-N
rxn:4:222126:225268,CCCOc1cc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C(F)(F)F)c1,BHPGOSJLSZJEOU-UHFFFAOYSA-N
rxn:4:222389:174403,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,WLTNFGIRWRMNTL-UHFFFAOYSA-N
rxn:4:222389:174404,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,XKMZUQVZGWIYKV-UHFFFAOYSA-N
rxn:4:222389:176685,Cc1cc(OC(=O)C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AYZJMEGMFWGLGB-UHFFFAOYSA-N
rxn:4:222389:178116,c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1COC1CCCCO1,BWSSDNZUEFECLL-UHFFFAOYSA-N
rxn:4:222542:178597,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1OCCCN1CCNCC1,XKXAKUASYVNJMH-UHFFFAOYSA-N
rxn:4:222621:174570,CCCCCCC1CC(=O)c2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)ccc2O1,CKBWFYMZRHEIHY-UHFFFAOYSA-N
rxn:4:222622:174008,CCOC(=O)C(F)(F)c1ccc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)c(OC)c1,XQBGMXZUJURSSQ-UHFFFAOYSA-N
rxn:5:190097:225499:226067,Fc1cc(C2CCCCC2)ccc1-c1ccc(-c2ccc(C3=CCCCC3)cc2)c(CCN2CCCCC2)c1,QXJRQZUJTUKBEH-UHFFFAOYSA-N
rxn:4:173474:222389,CCOC(=O)c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OCc2ccccc2)c1Cl,ZDYRDZNJJVGQMD-UHFFFAOYSA-N
rxn:4:173546:222389,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OCc2ccccc2)c1,IVFYEXDUXRWBFN-UHFFFAOYSA-N
rxn:4:173551:223893,CCN1CCN(CCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)c2)CC1,KLJAEPHPWOPZQA-UHFFFAOYSA-N
rxn:4:173607:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,BRRZWVKTSTVGHI-UHFFFAOYSA-N
rxn:4:173609:222389,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,FUJXHKXVDJUIJX-UHFFFAOYSA-N
rxn:4:173616:222389,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,FFVKJDWFRXJMMO-UHFFFAOYSA-N
rxn:4:173644:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCC=Cc3ccccc3)cc12,NPGIGZWTDALYKR-UHFFFAOYSA-N
rxn:4:174498:223786,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)c1F,DPPNOANOPARUMN-UHFFFAOYSA-N
rxn:4:175874:222628,Clc1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)ccc1CCOC1CCCCO1,FRJDTKIIZNPEDM-UHFFFAOYSA-N
rxn:4:178597:223894,CN1CCN(CCCOc2cccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)CC1,SYQPJRVWHSQPQR-UHFFFAOYSA-N
rxn:4:180422:222389,Clc1cc(CC2CCCCC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,LUERAFAOVDWWNZ-UHFFFAOYSA-N
rxn:4:180528:222538,c1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1OC1CCC2(CC1)OCCO2,DQEMORHZMXUXSV-UHFFFAOYSA-N
rxn:4:184274:222538,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,VIDGBVFXBMVCIR-UHFFFAOYSA-N
rxn:4:185423:223892,CN1CCN(CCCOc2ccc(-c3cc(C4CC4)cc(C4CN(C(=O)OC(C)(C)C)CCO4)c3)cc2)CC1,BDZYRPWYUOIUTD-UHFFFAOYSA-N
rxn:4:200758:223847,CCCCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(C(C)C)CC4)c(OC)c3)cc2)CC1,PVBMNISEIRDKCP-UHFFFAOYSA-N
rxn:4:202122:225449,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cccc(OC2CCCCC2)c1,PBRPEPZBUOMAGI-UHFFFAOYSA-N
rxn:4:202302:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCC(Oc5cc(C)n(C)c(=O)c5)CC4)c3)cc2)CC1,LJCJDTBVUFTBRJ-UHFFFAOYSA-N
rxn:4:203955:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,RVWRYPPNCHABSI-YHBQERECSA-N
rxn:4:204070:224424,CCCC1CCC(c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)cc2)CC1,KTSYAVAHNDNAEG-UHFFFAOYSA-N
rxn:4:213071:224424,CCCC1CCC(c2ccc(-c3ccn(CC4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1,KWCHTCNTJNFERS-UHFFFAOYSA-N
rxn:4:214082:224354,CC(C)N1CCN(Cc2ccc(-c3cc(F)c(Oc4cccc(F)c4)c(F)c3)cc2N2CCOCC2)CC1,QPRCHNKMMINYLZ-UHFFFAOYSA-N
rxn:4:221994:225433,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(CSC6CCCC6)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,JXHSNSAAOQJJLX-UHFFFAOYSA-N
rxn:4:222125:223728,CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)c(F)c2)CC1,DYOWWZQOLBMDJB-UHFFFAOYSA-N
rxn:4:222126:224710,CCCCOc1cc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C(F)(F)F)c1,CIDXNCAWOLIIJF-UHFFFAOYSA-N
rxn:4:222389:174096,CCCCOC(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(C)c1,WBFGRZWTTKRCQM-UHFFFAOYSA-N
rxn:4:222389:178326,COC(=O)c1ccc(C2CCCCC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,PHUCWDLRHWZVNY-UHFFFAOYSA-N
rxn:4:222389:184274,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,FBPBHCXFCLXGSV-UHFFFAOYSA-N
rxn:4:222389:184998,CCOC(=O)c1c(-c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)noc1C(C)C,BNHGUKNALMEYOD-UHFFFAOYSA-N
rxn:4:222389:187924,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IQILXOGBIGEAQL-UHFFFAOYSA-N
rxn:4:222389:199710,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)nc2)CC1,VMKIINCXBORKJW-UHFFFAOYSA-N
rxn:4:222389:199762,CC(C)(C)OC(=O)N1CCN(CCc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2Cl)CC1,FTBZEGKCYJFUEA-UHFFFAOYSA-N
rxn:4:222542:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)c1,BVPYDJZGNAZDKW-UHFFFAOYSA-N
rxn:4:222622:174376,CCC(C)c1cc(-c2c(OC)cc(C(=O)OC(C)(C)C)cc2OC)cc(C2CCCNC2)n1,MFNGCEDFHPKENG-UHFFFAOYSA-N
rxn:5:189909:226761:225683,CSc1ccc(-c2ccc(-c3ccc(C4CCCOC4)nc3C)cc2CCN2CCOCC2)c(C(F)(F)F)c1,LJVICMKWTXFMOL-UHFFFAOYSA-N
rxn:4:173547:222389,CC(C)(C)OC(=O)c1ccc(OCc2ccccc2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,MVYLBNPWFMSZRQ-UHFFFAOYSA-N
rxn:4:173575:222729,CCCc1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,KLYFPTMURYULGA-UHFFFAOYSA-N
rxn:4:173579:223894,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c1,QSRYULZXLMJONK-UHFFFAOYSA-N
rxn:4:173606:224126,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cccc(C(C)N2CCN(CC)CC2)c1,FYKZCFGHHZGCFC-UHFFFAOYSA-N
rxn:4:173606:224932,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CN(C)C(C)C)ccc1OC,CJKJEADHBMDOHB-UHFFFAOYSA-N
rxn:4:173616:224127,CCN1CCN(C(C)c2ccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)c3ccco3)cc2)CC1,KHVYHKKNZIQUOH-UHFFFAOYSA-N
rxn:4:173623:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCC=C(C)C)cc12,DZSSNMSYGBYAKY-UHFFFAOYSA-N
rxn:4:175939:222630,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,CJUVTRJIWLQFDG-UHFFFAOYSA-N
rxn:4:178584:223753,COc1cc2c(cc1OC)C(c1ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc1)OC(C)C2,WQIUVWGDAPWPNP-UHFFFAOYSA-N
rxn:4:180516:222389,COc1ccc(C2OCC(C)(C)CO2)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ZGUTVESKUUKDIX-UHFFFAOYSA-N
rxn:4:184067:222624,CC(C)Cc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)cc(C2CCNCC2)n1,GXRSMGATIDZJSR-UHFFFAOYSA-N
rxn:4:187676:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2)CC1,CEFDMOAIICGWOS-DUYHBEBVSA-N
rxn:4:187691:222730,CCCc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)cc(C2CCNCC2)n1,RJFWOJJHMUVDTR-UHFFFAOYSA-N
rxn:4:199705:222538,CCN1CCN(CCCOc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc2C)CC1,HTLZWYYWRWBTBY-UHFFFAOYSA-N
rxn:4:200758:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(C(C)C)CC4)c(OC)c3)cc2)CC1,AGACYLAIQHMLOG-RQNOJGIXSA-N
rxn:4:200779:224195,CCN1CCN(Cc2cc(-c3ccc(CN4CCN(CC=Cc5ccccc5)CC4)cc3)ccc2Cl)CC1,VDLPQDGQLWBARY-UHFFFAOYSA-N
rxn:4:200880:224137,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccc(Cl)cc5)c(C)c4)cc3)CC2)CC1,CBWWPBFGESEPME-UHFFFAOYSA-N
rxn:4:202122:225447,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1ccc(OC2CCCCC2)cc1,PLGGYMUSPXQFCM-UHFFFAOYSA-N
rxn:4:202284:223662,COc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2[N+](=O)[O-])cc1CN1CCC(N2CCCC2)CC1,FJIFERXLMKRISH-UHFFFAOYSA-N
rxn:4:202341:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,KQTKWESZAUQNIB-UHFFFAOYSA-N
rxn:4:213192:224424,CCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1,HUANVPGKGZLVNB-UHFFFAOYSA-N
rxn:4:221157:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2)CC1,ICUVOIDIRDMDBI-UHFFFAOYSA-N
rxn:4:221535:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,AWDMXTNSQWPJGG-ALOJWSFFSA-N
rxn:4:221538:224846,CCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SCRGTXWHEKGKPP-UHFFFAOYSA-N
rxn:4:221986:223802,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)cc2)CC1,QZAJFRSZDJJFOR-UHFFFAOYSA-N
rxn:4:222389:174376,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,YZSLSZYIFDYTSC-UHFFFAOYSA-N
rxn:4:222389:174579,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccc(Cl)cc3)cc12,GEMBXZZUNBVWAR-UHFFFAOYSA-N
rxn:4:222389:183919,CSc1ccc(Oc2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C(=O)OC(C)(C)C)cc1,OWBNHODHBWHRDF-UHFFFAOYSA-N
rxn:4:222389:187920,CCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,YHDJGZJNYKNEMK-UHFFFAOYSA-N
rxn:4:222389:188477,COC(=O)c1cc(C(F)(F)F)cnc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,WUXUTSHJHZHANI-UHFFFAOYSA-N
rxn:4:222389:188678,COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,WLWDIRHOVFMOLV-UHFFFAOYSA-N
rxn:4:222623:174429,CCC(C)c1cc(-c2cccc(OC(C)(C)C(=O)OC(C)(C)C)c2)cc(C2CCNCC2)n1,GXLSNIJEPVKSHL-UHFFFAOYSA-N
rxn:4:173550:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3OC(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,RFBSHHWEBNRVAY-UHFFFAOYSA-N
rxn:4:173551:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OC(F)(F)F)c3)c2)cc1OCCCN1CCNCC1,ZHSIHSQMECFGPO-UHFFFAOYSA-N
rxn:4:173579:222630,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)c1,LXDVHTTZPLXGCE-UHFFFAOYSA-N
rxn:4:173579:222684,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c1,PMGAYNMYWGPZSK-UHFFFAOYSA-N
rxn:4:174403:222629,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1,BWPUFTXYJFTINU-UHFFFAOYSA-N
rxn:4:174404:222629,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1,NPWYFHGMKRZYCH-UHFFFAOYSA-N
rxn:4:174593:222538,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,ZHEFZXOOXHWNBR-UHFFFAOYSA-N
rxn:4:175939:222466,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,XNDRHAYXIRAUDR-UHFFFAOYSA-N
rxn:4:178597:222621,CC(C)Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)n1,CXLJZSJPVLFHKG-UHFFFAOYSA-N
rxn:4:183961:222389,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,KMDCNOKNRISEQU-SANMLTNESA-N
rxn:4:188679:222538,Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,JTSIDQUKEGLYHK-UHFFFAOYSA-N
rxn:4:200880:224529,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5ccc(Cl)cc5)cc4)cc3)CC2)CC1,YRNPFCMFKDGLOF-UHFFFAOYSA-N
rxn:4:200882:223964,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c1)C2,INMICXZMUYVGRH-UHFFFAOYSA-N
rxn:4:200884:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,WZAZSUINUYDHRR-UHFFFAOYSA-N
rxn:4:202250:224424,CCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)cc2)CC1,XYQKYPDLGZKVQC-UHFFFAOYSA-N
rxn:4:202284:226092,CCCCOc1ccc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)c(C)c1,PPDSCKXZTWBJET-UHFFFAOYSA-N
rxn:4:212740:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,AJFTVPHIJDFPCS-UHFFFAOYSA-N
rxn:4:213831:223847,CCCCCC1CCC(c2ccc(-c3cnn(CC4CCCN(CC(C)C)C4)c3)cc2)CC1,FBXDVAOKKJUYJX-UHFFFAOYSA-N
rxn:4:214082:223801,CC(C)N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)cc2N2CCOCC2)CC1,LCWKKCNBCVRXFT-UHFFFAOYSA-N
rxn:4:215990:225617,CN1CCC(N2CCN(c3ccc(-c4ccc(OC5CCCCO5)cc4)cc3)CC2)CC1,BCNLYNKLTCMNBV-UHFFFAOYSA-N
rxn:4:217905:226154,COc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,UQHLXGXEVJYLCJ-UHFFFAOYSA-N
rxn:4:221538:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SCRGTXWHEKGKPP-WPAKUEFPSA-N
rxn:4:222389:174309,Cc1c(OCC(=O)OC(C)(C)C)cccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ICBGBIVJKWZKJK-UHFFFAOYSA-N
rxn:4:222389:174482,CC(C)(C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,ZOQWCNXGOZFIDA-UHFFFAOYSA-N
rxn:4:222389:174485,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,BYBQOVRRTOEQOH-UHFFFAOYSA-N
rxn:4:222389:174519,Fc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(F)c1OC1CCC(OCc2ccccc2)CC1,REZHPEBMBBUNSS-UHFFFAOYSA-N
rxn:4:222389:176006,Fc1c(OCc2ccccc2)ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C1OCCO1,CWWAJMDCWTWQBX-UHFFFAOYSA-N
rxn:4:222389:176693,CC(=O)c1cc(OC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DHDZOJRFGCOLCY-UHFFFAOYSA-N
rxn:4:222389:214832,COc1ccccc1N1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,LGKGVPWILHGVIL-UHFFFAOYSA-N
rxn:4:222621:187880,COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1-c1cc(CC(C)C)nc(C2CCCNC2)c1,QWUXOZAPHIDQQS-UHFFFAOYSA-N
rxn:4:173517:222389,CC(C)(C)OC(=O)C1(Oc2cc(C(F)(F)F)ccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)CC1,ZRJVXSFDXHYLFK-UHFFFAOYSA-N
rxn:4:173553:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,DJEHZFKUBHASTF-UHFFFAOYSA-N
rxn:4:173669:222389,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCc3ccccc3)cc2c1C(=O)OC(C)C,VZFPOHGFFSSOLC-UHFFFAOYSA-N
rxn:4:174420:222628,FC(F)(F)Oc1cc(OCC2CCCCC2)ccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,RNAUJFAVIAZIMH-UHFFFAOYSA-N
rxn:4:174481:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(F)(F)F)c3)c2)cc1OCCCN1CCN(C)CC1,XCKNCUYCZIBVNR-UHFFFAOYSA-N
rxn:4:174482:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(C(F)(F)F)cc4)c3)cc2)CC1,QCJJCGWFQLAEJO-UHFFFAOYSA-N
rxn:4:174497:223894,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)cc1,ZUCSQXBTLYKDGG-UHFFFAOYSA-N
rxn:4:174607:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3C)cc12,XCDCDWPIOOIHFL-UHFFFAOYSA-N
rxn:4:183919:224179,CSc1ccc(Oc2ncc(-c3ccc(OCCN4CCN(C)CC4)cc3)cc2C(=O)OC(C)(C)C)cc1,FIYQVLHYVSNWSA-UHFFFAOYSA-N
rxn:4:183919:224377,CSc1ccc(Oc2ncc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2C(=O)OC(C)(C)C)cc1,HYCKHMHATNXZFH-UHFFFAOYSA-N
rxn:4:185164:222624,CC(C)Cc1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)cc(C2CCNCC2)n1,GJCVANCZVSDFBE-UHFFFAOYSA-N
rxn:4:191637:222389,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,JNFWICDFRVMPSW-UHFFFAOYSA-N
rxn:4:192115:222389,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c([N+](=O)[O-])cc1C(F)(F)F,BHMATRBUEQFDQA-UHFFFAOYSA-N
rxn:4:192116:222389,Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,WFZHPQBENNAVHY-UHFFFAOYSA-N
rxn:4:200880:224446,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(OCc5ccccc5)ccc4C)cc3)CC2)CC1,PVWVTXOQZRKYSM-UHFFFAOYSA-N
rxn:4:200880:226882,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(F)(F)F)c(F)c4F)cc3)CC2)CC1,RRNABXGTXMQRAW-UHFFFAOYSA-N
rxn:4:202284:223758,COc1ccc(-c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1CN1CCC(N2CCCC2)CC1,WTKMNZXYGPDFDR-UHFFFAOYSA-N
rxn:4:220432:222389,Cc1cc(C)nc(N2CCN(c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,KCDUDMFIZGSLSN-UHFFFAOYSA-N
rxn:4:221986:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(CC)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,AICXEIVFJANGTM-UHFFFAOYSA-N
rxn:4:222389:173617,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3)cc12,HUHTZCCWAJULRL-UHFFFAOYSA-N
rxn:4:222389:174070,CC(C)COc1cc(OC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IFCRILPECFCNDC-UHFFFAOYSA-N
rxn:4:222389:174396,Cc1ccc(C)c(OCC(=O)Oc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2Cl)c1,KYHNVTNJHKAUPL-UHFFFAOYSA-N
rxn:4:222389:174445,COc1ccc(C(=O)Oc2ccccc2C(C)C)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XCRAABCUFXTSPD-UHFFFAOYSA-N
rxn:4:222389:174498,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1F,GIBILVVCYOHTNI-UHFFFAOYSA-N
rxn:4:222389:176008,Fc1c(OCc2ccccc2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1C1OCCO1,WMERALBQWHYTLD-UHFFFAOYSA-N
rxn:4:222389:176066,COc1ccc(OS(=O)(=O)c2cc(C)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C)cc1,CTQFDYNXLPMXQJ-UHFFFAOYSA-N
rxn:4:222389:178222,c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1COC1CCCCC1,OVQVETGYLGSSBY-UHFFFAOYSA-N
rxn:4:222389:185682,N#CCc1cc(OC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DWYRZVQMIJCDAX-UHFFFAOYSA-N
rxn:4:222389:188190,O=[N+]([O-])c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OC(F)F)c1F,KAJJNECCLSACNF-UHFFFAOYSA-N
rxn:4:222389:199537,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c([N+](=O)[O-])c1,NVYCFYQXUOMRRT-UHFFFAOYSA-N
rxn:4:222623:185896,CCC(C)c1cc(-c2c(C#N)cc(C(F)(F)F)cc2C(=O)OC)cc(C2CCNCC2)n1,ALJZEKBXSFFFGD-UHFFFAOYSA-N
rxn:4:173553:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)c2)CC1,URZQYWLHHWAJLN-UHFFFAOYSA-N
rxn:4:173604:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc12,OSPNGRIBKWVWGD-UHFFFAOYSA-N
rxn:4:173625:222389,CCOC(=O)c1c(C)oc2ccc(OCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)cc12,JKIMBJLCOHHNDT-UHFFFAOYSA-N
rxn:4:173643:222615,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OCC(=O)C(C)(C)C)cc12,SQJAELARNFTRBQ-UHFFFAOYSA-N
rxn:4:174403:222623,CCC(C)c1cc(-c2cc(C(=O)OC)cc(-c3cccc(OC(F)(F)F)c3)c2C)cc(C2CCNCC2)n1,ZTTXADVCXAVPPJ-UHFFFAOYSA-N
rxn:4:174403:222631,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,GMJQMQHYPBRYKJ-UHFFFAOYSA-N
rxn:4:174403:224127,CCN1CCN(C(C)c2ccc(-c3cc(C(=O)OC)cc(-c4cccc(OC(F)(F)F)c4)c3C)cc2)CC1,NVKDNCQGNOTQPO-UHFFFAOYSA-N
rxn:4:174496:222584,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)c1,BIQCNRHMYNBZMM-UHFFFAOYSA-N
rxn:4:174517:222624,CCCCCC1CCC(c2ccc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc2)CC1,MLKMSFDJBNPTCD-UHFFFAOYSA-N
rxn:4:174593:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,POTFUILJUPGESJ-UHFFFAOYSA-N
rxn:4:175939:222624,COc1cc(COC2CCCCO2)ccc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,LFZUFJBJZYUPKA-UHFFFAOYSA-N
rxn:4:200440:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC(F)(F)F)cc(C(=O)N4CCN(CC)CC4)c3)c(F)c2)CC1,VUWGEDASGIAKMA-YHBQERECSA-N
rxn:4:200699:224424,CCCC1CCC(c2ccc(-c3ccc(C(=O)OC)cc3CN3CCN(C(C)C)CC3)cc2)CC1,ZZKAHQFZZFIWEI-UHFFFAOYSA-N
rxn:4:200779:224193,CCN1CCN(Cc2cc(-c3ccc(CN4CCN(CC=Cc5ccccc5)CC4)cc3)ccc2F)CC1,ADVNFVJPJSMGBD-UHFFFAOYSA-N
rxn:4:200880:223968,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(OC(F)(F)F)ccc4-c4ccccc4)cc3)CC2)CC1,SVCXHDOKBJHDIF-UHFFFAOYSA-N
rxn:4:201894:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CCC(=O)N4CCN(C)CC4)c3)cc2)CC1,UIAHFDNKHURQGV-YOCNBXQISA-N
rxn:4:202266:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2ccc(CN3CCOC(C(=O)N4CCCCC4)C3)cc2)cc1,MVTRZCICOOWRQM-UHFFFAOYSA-N
rxn:4:203919:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OC)c(F)c2)CC1,SMRJPYCHGYMVKN-UHFFFAOYSA-N
rxn:4:203968:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3F)cc2C)c1,PQAJTDQBTNWPJH-UHFFFAOYSA-N
rxn:4:207843:223753,CCN1CCN(C2CCCc3cc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)ccc32)CC1,LCLLPAONJYBOJM-UHFFFAOYSA-N
rxn:4:213421:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)cc2)CC1,NVKDTGBCPJKWEQ-CCURTVBJSA-N
rxn:4:221193:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)c1,DYPQELPCICMYER-UHFFFAOYSA-N
rxn:4:221428:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)cc2)CC1,KOQZBYDVUHGOIZ-UNWRIRMBSA-N
rxn:4:222389:174428,CC(C)(C)OC(=O)C(C)(C)Sc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,XZLFHDQCKZOYSA-UHFFFAOYSA-N
rxn:4:222389:174455,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C2OCCO2)c1OCc1ccccc1,ZMRHGUQACQFKGK-UHFFFAOYSA-N
rxn:4:222389:174567,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DXHQUNIIDXEWDX-UHFFFAOYSA-N
rxn:4:222389:176111,CC(C)(C)OC(=O)c1cc(-c2cccc(Cl)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,QCBRYLVEWOGLTE-UHFFFAOYSA-N
rxn:4:222389:178041,FC(F)(F)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OC2CCCC2)c1,JJPUXIXOMQHCLV-UHFFFAOYSA-N
rxn:4:222389:188676,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c([N+](=O)[O-])cc1C(F)(F)F,DGAWZRPIRJEOBD-UHFFFAOYSA-N
rxn:4:222389:213848,c1ccc(COc2nc(N3CCCCC3)ncc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,QDTHZSMCLGNFCO-UHFFFAOYSA-N
rxn:4:222631:174403,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,GMJQMQHYPBRYKJ-UHFFFAOYSA-N
rxn:4:173475:222389,CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,FIDAMLWWNAVHBR-UHFFFAOYSA-N
rxn:4:173555:222389,CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1,NOJDTBDTJXVFPY-UHFFFAOYSA-N
rxn:4:173572:222389,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,YFJRHEDUVOJJHP-UHFFFAOYSA-N
rxn:4:173598:222389,COC(=O)COc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ZYBYBIXLNWWACV-UHFFFAOYSA-N
rxn:4:173607:222629,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(OC(=O)C(C)C)cc12,GDKOLNLMKDAYES-UHFFFAOYSA-N
rxn:4:173620:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccc(F)cc3)cc12,QPUIWTBKXIWYDA-UHFFFAOYSA-N
rxn:4:173621:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCC(=O)c3ccc(F)cc3)cc12,BDHQSYVJBQDFID-UHFFFAOYSA-N
rxn:4:173642:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,CXHTYADPMQBKLF-UHFFFAOYSA-N
rxn:4:174376:222615,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(CC(C)C)cc(C2CCNCC2)c1,QRPIFXUHTNDTER-UHFFFAOYSA-N
rxn:4:174570:222629,CCCCCCC1CC(=O)c2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)ccc2O1,FUIXANGKEDIIDX-UHFFFAOYSA-N
rxn:4:178597:222537,CC1(C)OC2OC(C(=O)Oc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)C3OC(C)(C)OC3C2O1,RMHZSUHTPFBCLR-UHFFFAOYSA-N
rxn:4:183612:222389,O=C(OCc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)Oc1ccc([N+](=O)[O-])cc1,ZOACZQRFNQEZSW-UHFFFAOYSA-N
rxn:4:187677:222628,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,PHUJJEFJBJCFKX-UHFFFAOYSA-N
rxn:4:192124:222389,NS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NZWACUKNZWCYLG-UHFFFAOYSA-N
rxn:4:200816:222389,C[C@@H]1CN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CCN1C(=O)OC(C)(C)C,XTGGFQCHTGMEJH-HSZRJFAPSA-N
rxn:4:200858:222538,CC(C)N1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2Oc2ccccc2)CC1,ZBWAGXQWAIEMPY-UHFFFAOYSA-N
rxn:4:200880:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccc(CC(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1,NXYJFYTUTUXCGO-UHFFFAOYSA-N
rxn:4:200880:224095,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccc(C#N)cc5)c4)cc3)CC2)CC1,PWKSFMOHPPGXFR-UHFFFAOYSA-N
rxn:4:202286:224061,CCCC1CCC(c2ccc(-c3cc(C(C)C)c(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3C)c(F)c2)CC1,YPOMNPJYLBSWFK-UHFFFAOYSA-N
rxn:4:215944:223847,CCCCCC1CCC(c2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2)CC1,WWJMZOIAPCWBMA-UHFFFAOYSA-N
rxn:4:221111:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)cc2)CC1,MOSNZBYTFFTHNQ-QHFDLUPOSA-N
rxn:4:222389:174315,CCOc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XPXRQGIJIXVZJC-UHFFFAOYSA-N
rxn:4:222389:174494,COc1ccc(C(=O)Oc2cc(C(C)C)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C)cc1,XCTLMXGCZQSXJG-UHFFFAOYSA-N
rxn:4:222389:176116,CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,UGNXVYUIGAWPCH-UHFFFAOYSA-N
rxn:4:222389:176133,CC(C)(C)Oc1cc(OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,AFYXQYWCCHNQRX-UHFFFAOYSA-N
rxn:4:222389:176143,CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,GWHRWYDCCFFFBB-UHFFFAOYSA-N
rxn:4:222389:176513,FC(=COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)C(F)(F)F,YZORKWVVZASAHX-UHFFFAOYSA-N
rxn:4:222389:179488,CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IZWCSVYCUVYMHN-UHFFFAOYSA-N
rxn:4:222389:185493,COC(=O)c1ccc2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn(C(=O)OC(C)(C)C)c2c1,MTTFWNQHKKJYAG-UHFFFAOYSA-N
rxn:4:222389:185504,C[Si](C)(C)CCOCn1ccc2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cccc21,WSWHTAVNGFNKGW-UHFFFAOYSA-N
rxn:4:222622:178597,CCC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)n1,KRGPNDBESBVCJV-UHFFFAOYSA-N
rxn:4:173431:222389,CCCCc1ccc(C(=O)OCC)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,IXGRFQOOGRSYAO-UHFFFAOYSA-N
rxn:4:173486:222389,COc1ccc(C(=O)OCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1OC,YQCYOBMLCMHDDW-UHFFFAOYSA-N
rxn:4:173508:222466,COc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)ccc1OCCOC1CCCCO1,QVFSHKPACCGEDM-UHFFFAOYSA-N
rxn:4:173512:222389,CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,BMRWOTJSVHOHKZ-UHFFFAOYSA-N
rxn:4:173546:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3OCc3ccccc3)c2)CC1,KUZSPVJXRFEPBT-UHFFFAOYSA-N
rxn:4:173553:222622,CCC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc(C2CCCNC2)n1,BRNCSRCMBIGAJX-UHFFFAOYSA-N
rxn:4:173553:222623,CCC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc(C2CCNCC2)n1,KJGVGAJKLOIENH-UHFFFAOYSA-N
rxn:4:173579:224127,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)c2)c1,QQGMFLNBYZWKFW-UHFFFAOYSA-N
rxn:4:173622:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3F)cc12,JEGZGLILSZJQSB-UHFFFAOYSA-N
rxn:4:173641:222628,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,LTVPBOPPRTZLDG-UHFFFAOYSA-N
rxn:4:173643:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCC(=O)C(C)(C)C)cc12,SDLHHVHCFHEZMP-UHFFFAOYSA-N
rxn:4:174567:222615,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,LTKFOLRAUZUOTO-UHFFFAOYSA-N
rxn:4:175939:222465,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,LPHWRICZVCQZNQ-UHFFFAOYSA-N
rxn:4:176162:223753,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1,MQJYARPRPXQFQQ-UHFFFAOYSA-N
rxn:4:180534:222389,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)o2)C(=O)O1,QVASESXEYASTPK-UHFFFAOYSA-N
rxn:4:183725:222389,COC(=O)c1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCc1ccc(OC)cc1,ZCKMYWUHDUOOLL-UHFFFAOYSA-N
rxn:4:187676:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2)CC1,DCDBCPVZRMBVQR-YOCNBXQISA-N
rxn:4:200880:224542,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5cccc(Cl)c5)c4)cc3)CC2)CC1,FGZHUUNOBOTZSC-UHFFFAOYSA-N
rxn:4:200882:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc2)CC1,ISHBOWKWVSZGIB-UNWRIRMBSA-N
rxn:4:201828:224061,CCCC1CCC(c2ccc(-c3cccc(OCCN4CCN(C)CC4)c3)c(F)c2)CC1,RBADUTBJQGOYGN-UHFFFAOYSA-N
rxn:4:202274:223812,CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,NNBLNCCRHKPQTP-ZWXJPIIXSA-N
rxn:4:202284:226427,COc1ccc(-c2cc(N3CCC(C)CC3)cs2)cc1CN1CCC(N2CCCC2)CC1,WNWDBQWKCGQKMC-UHFFFAOYSA-N
rxn:4:202312:223760,COc1cc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)c(OC)cc1OCc1ccccc1,OMRCRVUGGPIKAW-UHFFFAOYSA-N
rxn:4:202312:224113,COc1ccccc1COc1ccc(-c2cccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)cc1,GDVZOIXEPCSTTH-UHFFFAOYSA-N
rxn:4:204065:223563,COc1cc(COc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3C)cc2C)cc(OC)c1,LJHLLCRUHBVQEB-UHFFFAOYSA-N
rxn:4:212644:222389,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,GBHHAHROCSANGN-UHFFFAOYSA-N
rxn:4:213684:224424,CCCC1CCC(c2ccc(-c3cnn(CC4CN(CC5CCCO5)C4)c3)cc2)CC1,ASHABMQYVVVDNX-UHFFFAOYSA-N
rxn:4:218997:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(Cc5c(C)noc5C)C4)nc3)cc2)CC1,IBOBUSJWPFYYTK-UHFFFAOYSA-N
rxn:4:221193:224434,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(COCc5ccccc5)cc4)cn3)C2)CC1,MRVOBFKRZZURLG-UHFFFAOYSA-N
rxn:4:222389:177070,CO/C=C/c1cc(C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NMDHYPXJVAOLFX-MDWZMJQESA-N
rxn:4:222389:185214,O=C(OCc1ccccc1)N1CCCC1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,AXGMSKHQYXBTJL-UHFFFAOYSA-N
rxn:4:222389:188175,O=[N+]([O-])c1cc(OC(F)F)cc(F)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DYAWJMLBEOKWMS-UHFFFAOYSA-N
rxn:4:173491:222389,COC(=O)c1cc(OC)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OCc2ccccc2)c1,HMOBPVJZAWTLIR-UHFFFAOYSA-N
rxn:4:173546:222542,Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2OCc2ccccc2)cc1OCCCN1CCNCC1,CAMAMEIIQHAKFX-UHFFFAOYSA-N
rxn:4:173547:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cc2)CC1,UIQXJZIDNFWQLJ-UHFFFAOYSA-N
rxn:4:173578:222624,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c1,JFQYYHITMZNSRT-UHFFFAOYSA-N
rxn:4:173619:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCC(=O)c3ccc(Cl)cc3)cc12,CJBDXVBKSCDDBM-UHFFFAOYSA-N
rxn:4:173642:223952,CCOC(=O)c1c(C)oc2cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3)c(OC(=O)C(C)(C)C)cc12,RINFOIFYHCOQMY-UHFFFAOYSA-N
rxn:4:174403:222616,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)c1,NWUMAXAAQFMHOJ-UHFFFAOYSA-N
rxn:4:175867:222389,c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1CCOC1CCCCO1,OEGARFPMWLBBBL-UHFFFAOYSA-N
rxn:4:176115:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(F)c3)c2)cc1OCCCN1CCN(C)CC1,LPVGMBNSUYKTHP-UHFFFAOYSA-N
rxn:4:183919:222624,CSc1ccc(Oc2ncc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc2C(=O)OC(C)(C)C)cc1,CXIYYOQNJGGMBP-UHFFFAOYSA-N
rxn:4:200880:224231,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)cc(Cl)c4OCc4ccccc4)cc3)CC2)CC1,PZFSFDRULVMZQR-UHFFFAOYSA-N
rxn:4:200880:224544,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccccc5Cl)c4)cc3)CC2)CC1,AHBPNMRKKJLPIV-UHFFFAOYSA-N
rxn:4:200880:224546,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccc(Cl)cc5)cc4)cc3)CC2)CC1,WNSHIQAPRBZHMG-UHFFFAOYSA-N
rxn:4:201132:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)cc2)CC1,NLKZSAUXKZUNEW-DIVCQZSQSA-N
rxn:4:202019:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3OC)cc2)CC1,CLVKRUPKAWPWTH-RQNOJGIXSA-N
rxn:4:202284:223798,COc1ccc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)cc1CN1CCC(N2CCCC2)CC1,UNNXOZSDANLYNH-UHFFFAOYSA-N
rxn:4:202284:224120,COc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(C)c2)cc1CN1CCC(N2CCCC2)CC1,TZFOAIHUNZTFMN-UHFFFAOYSA-N
rxn:4:202284:224853,COc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,XPECPKWXRWXVFJ-UHFFFAOYSA-N
rxn:4:202311:223875,CC(C)(C)c1ccccc1Oc1ccc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)cn1,UAKXPZMFCKVVDP-UHFFFAOYSA-N
rxn:4:203966:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3Cl)cc2C)c1,SBZFYFAVDSDVQG-UHFFFAOYSA-N
rxn:4:204092:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(CN2CCC(N(C)C)CC2)c(C)c1,VRHOMVFBWGSRRL-UHFFFAOYSA-N
rxn:4:213227:224424,CCCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(Oc5ncc(C)cn5)CC4)c3)cc2)CC1,XVSFDFYDKGNOMZ-UHFFFAOYSA-N
rxn:4:214082:223812,CC(C)N1CCN(Cc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2N2CCOCC2)CC1,ZURWRJLVJOKLNF-UHFFFAOYSA-N
rxn:4:214082:224846,CCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,KSZHVGZZGNYKIO-UHFFFAOYSA-N
rxn:4:214890:223847,CCCCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,OBQMWGQFGJIIJA-UHFFFAOYSA-N
rxn:4:221121:225407,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCCCC6)cc5)ccc43)CC2)CC1,JQMOKFGPVJBDKI-UHFFFAOYSA-N
rxn:4:221193:223796,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cccc(COc5cccc(C(F)(F)F)c5)c4)cn3)C2)CC1,BZUOROJPHNQNHS-UHFFFAOYSA-N
rxn:4:222389:174432,CC(C)Oc1ccc(C(=O)OC(C)(C)C)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DIYQSGVTFNNTNY-UHFFFAOYSA-N
rxn:4:222389:174486,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,AAVITEBCHROBRR-UHFFFAOYSA-N
rxn:4:222389:174488,CCOC(=O)C(=CC1CCCCC1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,XORJOMNHOQFGJU-UHFFFAOYSA-N
rxn:4:222389:174500,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,KGOIVWVCCYAKDE-UHFFFAOYSA-N
rxn:4:222389:174502,COc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C(C)(OC)OC)cc1C(C)(C)C,TVEDWGOLXIVJPY-UHFFFAOYSA-N
rxn:4:222389:174520,CC(C)(C)OC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,QLUIZHCBVDDVBX-UHFFFAOYSA-N
rxn:4:222389:175350,CC(C)COc1cc(C(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ABMOMUBDPZWTGQ-UHFFFAOYSA-N
rxn:4:222389:175917,COC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OC2CCCCO2)cc1F,LMMZDDLYUAPESQ-UHFFFAOYSA-N
rxn:4:222389:185495,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc12,RVKGOYYMXOBABS-UHFFFAOYSA-N
rxn:4:173335:222628,COCCOc1c(F)cc(C(=O)OC)cc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,BMJDXWPWNYFQNI-UHFFFAOYSA-N
rxn:4:173511:222389,CCOC(=O)c1ccc(OCc2ccccc2C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,AMIDLOVZEUWSBR-UHFFFAOYSA-N
rxn:4:173578:222622,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(C)CC)nc(C3CCCNC3)c2)c1,GHRCEJJVLKJLHX-UHFFFAOYSA-N
rxn:4:174480:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C(F)(F)F)c2)cc1OCCCN1CCN(C)CC1,FPKGEUQZFOEUKN-UHFFFAOYSA-N
rxn:4:174482:224178,CN1CCN(CCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(C(F)(F)F)cc4)c3)c2)CC1,PLKBMUDMKROALH-UHFFFAOYSA-N
rxn:4:176133:222629,CC(C)(C)Oc1cc(OC(C)(C)C)cc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)c1,DHUCPNKNKWVUOG-UHFFFAOYSA-N
rxn:4:176202:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC)cc12,AJVAQPADOCTEPO-UHFFFAOYSA-N
rxn:4:178597:222630,CC1(C)OC2OC(C(=O)Oc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)C3OC(C)(C)OC3C2O1,JZGJGPXVHNTHJS-UHFFFAOYSA-N
rxn:4:183751:222389,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)SC1=S,WWVSFJFJSYTHKP-UHFFFAOYSA-N
rxn:4:190297:222389,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)C1=O,UYNRBKXZDVSHJV-UHFFFAOYSA-N
rxn:4:200880:223803,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5cccc(C(F)(F)F)c5)c4)cc3)CC2)CC1,WQSOAXYSSNHPOP-UHFFFAOYSA-N
rxn:4:200880:224210,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccc(F)cc5Cl)c4)cc3)CC2)CC1,CMLULJYDIMRQED-UHFFFAOYSA-N
rxn:4:200880:224538,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccccc5F)c4)cc3)CC2)CC1,YTIXAPBPZHOCEG-UHFFFAOYSA-N
rxn:4:201989:224494,CCOc1ccc(CN2CCN(C)CC2)cc1-c1ccc(CCOC2CCCCO2)cc1,FJESCYIDLCRAJK-UHFFFAOYSA-N
rxn:4:202122:223578,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,YQGBQQGTGPLUBQ-UHFFFAOYSA-N
rxn:4:202341:223760,COc1cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c(OC)cc1OCc1ccccc1,FFYMDENIXHCEKY-UHFFFAOYSA-N
rxn:4:203934:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)c(F)c2)CC1,POLNXWBIONKAQR-MEMLXQNLSA-N
rxn:4:219569:225430,CCCCOc1cc(C)c(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)c(C)c1,IPTBNRFIVUOUES-UHFFFAOYSA-N
rxn:4:221111:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)c(F)c2)CC1,IEEFIMPKQLLELB-NJUNOESYSA-N
rxn:4:221111:224424,CCCC1CCC(c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)cc2)CC1,MOSNZBYTFFTHNQ-UHFFFAOYSA-N
rxn:4:221121:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)c1,XDWHHJMKQDXESJ-UHFFFAOYSA-N
rxn:4:222289:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c(F)c2)CC1,XOTRJVMEHLJGNN-DUYHBEBVSA-N
rxn:4:222339:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCN(c5cc(N6CCN(C)CC6)nc(C)n5)CC4)c3)cc2)CC1,NSPFLMQPOSIIAZ-QVYRIUEQSA-N
rxn:4:222389:174420,FC(F)(F)Oc1cc(OCC2CCCCC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QIFBJMOVLFODSN-UHFFFAOYSA-N
rxn:4:222389:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,DXYQAEVUEDZZOO-UHFFFAOYSA-N
rxn:4:222389:178171,O=C(OC1CCCCC1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,ARJJFVUUFBRKPH-UHFFFAOYSA-N
rxn:4:222389:183819,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,WHKREBARRQJOSO-UHFFFAOYSA-N
rxn:4:222389:184978,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(N(C)C(=O)OC(C)(C)C)c1,HKRGVZOQOSDLIZ-UHFFFAOYSA-N
rxn:4:222389:185310,CC(C)(C)OC(=O)N1CCC(Sc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,RGPMESRXIAFEFK-UHFFFAOYSA-N
rxn:4:222389:219439,FC(F)(F)c1ccnc(N2CCN(Cc3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)CC2)n1,HRXCMPDXZMITBV-UHFFFAOYSA-N
rxn:4:222389:219441,FC(F)(F)c1ccnc(N2CCN(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,MEOAIMHRLBTOHM-UHFFFAOYSA-N
rxn:4:173508:222615,COc1cc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)ccc1OCCOC1CCCCO1,MGBRRSVSSXZNKH-UHFFFAOYSA-N
rxn:4:173553:222742,CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)c1,QVGPCGVIABUQQR-UHFFFAOYSA-N
rxn:4:173575:222628,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)OC1,KWDLXCMZPFJHPU-UHFFFAOYSA-N
rxn:4:173599:222621,COCCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC)cc12,DXYKFQVUSGRSRX-UHFFFAOYSA-N
rxn:4:174376:222729,CCCc1cc(-c2c(OC)cc(C(=O)OC(C)(C)C)cc2OC)cc(C2CCCNC2)n1,OBHNVVQLZJJYNK-UHFFFAOYSA-N
rxn:4:174404:222631,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,NJULKLAYKHPWRY-UHFFFAOYSA-N
rxn:4:174404:224127,CCN1CCN(C(C)c2ccc(-c3cc(C(=O)OC)cc(-c4ccc(OC(F)(F)F)cc4)c3C)cc2)CC1,XHKNHEYWWUEYSI-UHFFFAOYSA-N
rxn:4:174578:222466,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3)cc12,NPLOYBSKUBDLCV-UHFFFAOYSA-N
rxn:4:174593:222624,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,DZDRKAFQBSIZCE-UHFFFAOYSA-N
rxn:4:176202:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC)cc12,LSANFUDOEJHOTA-UHFFFAOYSA-N
rxn:4:178122:222389,Clc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1COC1CCCCO1,JRBBNQAMQLFNPU-UHFFFAOYSA-N
rxn:4:180506:222389,CC(C)(C)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(Cl)c(C2OCCO2)c1,NQDZPZUTKWBDAH-UHFFFAOYSA-N
rxn:4:184625:222538,COCCOc1cc(C)c([N+](=O)[O-])cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,BTKHOPGUINNPMY-UHFFFAOYSA-N
rxn:4:200493:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(CN5C(=O)CCC5=O)C4)cc3)cc2)CC1,XHVDBHWOAZZYCA-HNKWHGCMSA-N
rxn:4:200784:224180,CCN1CCN(Cc2ccc(-c3ccccc3OCCN3CCN(C)CC3)cc2Oc2ccccc2)CC1,QFDSHHNNAKJBOU-UHFFFAOYSA-N
rxn:4:200880:226118,CCC(C)Oc1ccc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)cc1C,RVXYYTGNRCSGMQ-UHFFFAOYSA-N
rxn:4:200884:224109,COc1cccc(COc2cccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)c2)c1,ZHCZHOBFFLAPNQ-UHFFFAOYSA-N
rxn:4:201150:222389,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3C2)CC1,BOTGQTDWYGQYFZ-UHFFFAOYSA-N
rxn:4:202306:223787,CCN1CCN(Cc2cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cc(C(C)(C)C)c2)CC1,QFKSJHROBOAQBV-UHFFFAOYSA-N
rxn:4:202341:224101,CC1CCN(CCOc2cccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)c2)CC1,YABDUGRUGXIWEV-UHFFFAOYSA-N
rxn:4:212740:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c1,VAXJVQPXLJRKNF-UHFFFAOYSA-N
rxn:4:212743:224440,Cc1cc(OCc2ccccc2)cc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c1,VBENPRQMFPSINU-UHFFFAOYSA-N
rxn:4:213282:223725,CCCCCc1ccc(-c2ccc(-c3cccc(N4CC(C(=O)N5CCC(Oc6ccncc6)CC5)CC4=O)c3)c(F)c2)cc1,YLEBRTMAEGZKCX-UHFFFAOYSA-N
rxn:4:221986:226112,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCC4CC4)cc3C)cc2)CC1,BDNFMXVFBJEPFS-UHFFFAOYSA-N
rxn:4:222126:223847,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SHLREPMZEWHDBP-UHFFFAOYSA-N
rxn:4:222389:174491,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)OC1,AOPQYPUALURBAQ-UHFFFAOYSA-N
rxn:4:222389:174589,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCc3ccc(F)cc3)cc12,RKOAIWOQWYHRQQ-UHFFFAOYSA-N
rxn:4:222389:176115,CC(C)(C)OC(=O)c1cc(-c2cccc(F)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,OPNZBPZLWWAYIX-UHFFFAOYSA-N
rxn:4:222389:176122,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(-c2ccc(F)cc2F)c1,MXZNVNUKBOQRPZ-UHFFFAOYSA-N
rxn:4:222389:176161,Cc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,SKWNSNVREVRZSC-UHFFFAOYSA-N
rxn:4:222389:176162,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,IUYPSWRGYAMVIE-UHFFFAOYSA-N
rxn:4:222389:185322,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2Cl)CC1,XLABGDRWQGTLAG-UHFFFAOYSA-N
rxn:4:222389:188156,O=[N+]([O-])c1cc(OC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DAOUQGAGFFLPON-UHFFFAOYSA-N
rxn:4:222389:199596,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)CC1,UPTUTYTZLIGEIP-UHFFFAOYSA-N
rxn:4:222389:199662,O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,KJTHECPTLZZCDB-UHFFFAOYSA-N
rxn:4:222623:178597,CCC(C)c1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCNCC2)n1,FTWGGRAOFISKMJ-UHFFFAOYSA-N
rxn:4:173489:222389,COC(=O)c1cc(OCc2ccccc2)c(OC)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VHFFODCMICQCSF-UHFFFAOYSA-N
rxn:4:173575:222630,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)OC1,FMDQINWQOQVNES-UHFFFAOYSA-N
rxn:4:173642:222851,CCOC(=O)c1c(C)oc2cc(-c3cc(CC)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,SPZKPFUSXNMCFM-UHFFFAOYSA-N
rxn:4:173675:222740,Cc1oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,IATVGUKMSKMCTH-UHFFFAOYSA-N
rxn:4:174403:222622,CCC(C)c1cc(-c2cc(C(=O)OC)cc(-c3cccc(OC(F)(F)F)c3)c2C)cc(C2CCCNC2)n1,SIJCEWVPWARFNN-UHFFFAOYSA-N
rxn:4:174404:222622,CCC(C)c1cc(-c2cc(C(=O)OC)cc(-c3ccc(OC(F)(F)F)cc3)c2C)cc(C2CCCNC2)n1,JOGSFBKYEBMHAV-UHFFFAOYSA-N
rxn:4:174491:222538,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)OC1,DUQVIIRVGVWYCF-UHFFFAOYSA-N
rxn:4:176115:223786,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4)c3)cc2Cl)CC1,MSTUSQCSJZCDPS-UHFFFAOYSA-N
rxn:4:176164:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C)c3F)c2)cc1OCCCN1CCN(C)CC1,AKUIAAZYKPBYSJ-UHFFFAOYSA-N
rxn:4:185367:223895,CCN1CCN(CCOc2ccc(-c3cc(C(C)C)ccc3OCC(=O)N3CCC(C)CC3)cc2)CC1,AJCOIMKKURNQDW-UHFFFAOYSA-N
rxn:4:187364:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCOCC4)cc(OC)c3)cc2)CC1,DTDXQSXFKWIKIB-HCGLCNNCSA-N
rxn:4:200578:222389,CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XQPHNCWQGULMQO-UHFFFAOYSA-N
rxn:4:200880:224536,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5cccc(F)c5)c4)cc3)CC2)CC1,AVNCOIDGCAZRJH-UHFFFAOYSA-N
rxn:4:200880:224877,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COC5CCCCC5)cc4)cc3)CC2)CC1,UHTRHGSHWHWOHY-UHFFFAOYSA-N
rxn:4:200880:225817,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(F)(F)F)c(C5CC5)c4)cc3)CC2)CC1,QUTRHSYYWBCMBC-UHFFFAOYSA-N
rxn:4:202274:223815,CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1,KWOXOWVGPSVBGE-BHYZAODMSA-N
rxn:4:202275:224424,CCCC1CCC(c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5CCC(OC)C5)CC4)c3)cc2)CC1,MPPCWPKUMOZUPV-UHFFFAOYSA-N
rxn:4:202341:226067,CC(C)N1CCN(Cc2cc(-c3ccc(C4=CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,UTGGXPQQDUNACC-UHFFFAOYSA-N
rxn:4:204000:223728,CCCCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCN(CC)CC4)c3)c(F)c2)CC1,XBZQEAIUMHGCIA-UHFFFAOYSA-N
rxn:4:204091:224306,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(F)(F)F)cc1OC1CCCC1,AUTPAFNGWZDTSO-UHFFFAOYSA-N
rxn:4:204140:223562,CN1CCN(Cc2cc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc(C(C)(C)C)c2)CC1,NGOHEVJSZOSBHC-UHFFFAOYSA-N
rxn:4:206901:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCCN(C)CC4)o3)c(F)c2)CC1,DSBJFOLPGXOREB-YHBQERECSA-N
rxn:4:216356:225891,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C(OC)OC)c(OC)c4)ccc2OC32CCN(C)CC2)cc1,OXJRUUZQAULWTF-UHFFFAOYSA-N
rxn:4:219569:223728,CCCCCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)c(F)c2)CC1,OQBKYVHXDWBZJH-UHFFFAOYSA-N
rxn:4:222278:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6Cc5ccccc5)CC4)cc3)cc2)CC1,OCFWWKRXZLOTJV-UHFFFAOYSA-N
rxn:4:222389:174431,CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,OUFDBURERSZFGR-UHFFFAOYSA-N
rxn:4:222389:174497,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)cc1,QYXNTJCGKISXEL-UHFFFAOYSA-N
rxn:4:222389:174517,CCCCCC1CCC(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,GMEUFRJWYVGARX-UHFFFAOYSA-N
rxn:4:222389:174570,CCCCCCC1CC(=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2O1,JMTSRUKKSANNOD-UHFFFAOYSA-N
rxn:4:222389:178095,c1cc(OCC2CCCCO2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,DYCJSGDABLKUHE-UHFFFAOYSA-N
rxn:4:222389:206639,N#Cc1cc(N2CCC(F)(F)CC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,ILSAHSMIOVLNED-UHFFFAOYSA-N
rxn:4:222630:174376,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCC2)nc(C2CCNCC2)c1,VKKQFFDVSSFFFV-UHFFFAOYSA-N
rxn:4:222630:174434,CC(C)Oc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,BZQSDSQSHIBRQO-UHFFFAOYSA-N
rxn:4:173572:224127,CCN1CCN(C(C)c2ccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)cc2)CC1,PBQSPXRVDQYTIK-UHFFFAOYSA-N
rxn:4:173575:222631,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)cc2)OC1,ZCGOKQUWIGHMBU-UHFFFAOYSA-N
rxn:4:173578:224127,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(C)N3CCN(CC)CC3)cc2)c1,GSFODOXHDJEDFT-UHFFFAOYSA-N
rxn:4:173579:222538,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)c1,FOVBFPFTOFRRMP-UHFFFAOYSA-N
rxn:4:173611:222389,CCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc1)C2=O,LBZDPKWPIOXEBE-UHFFFAOYSA-N
rxn:4:175939:222616,COc1cc(COC2CCCCO2)ccc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,PFMMFUAGSONODN-UHFFFAOYSA-N
rxn:4:176165:223753,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1,MVGPOOYDTNZJSR-UHFFFAOYSA-N
rxn:4:184065:224570,CC(c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc1)N1CCN(C)CC1,OYFYDRZOCJFSDP-UHFFFAOYSA-N
rxn:4:185254:222624,CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)c1OC,BUZZFNLQFIDDCD-UHFFFAOYSA-N
rxn:4:185496:222624,COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc12,LPIJWHZSBDBUDW-UHFFFAOYSA-N
rxn:4:200694:223894,CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(-c2cccc(OCCCN3CCN(C)CC3)c2)c1,UMVPWBFOYUVXJZ-UHFFFAOYSA-N
rxn:4:200779:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)CC1,QJTANEJHYSQLPP-UHFFFAOYSA-N
rxn:4:200880:224229,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(OCc5ccccc5)c(Cl)c4)cc3)CC2)CC1,DVBPJPUMJPOHQX-UHFFFAOYSA-N
rxn:4:200880:224964,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COC5CCOCC5)cc4)cc3)CC2)CC1,ZWUPOZMTAQRPMX-UHFFFAOYSA-N
rxn:4:201132:224965,COc1ccc2cc(-c3cccc(OCC4CCOCC4)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,UOSOABCAIZCZLZ-UHFFFAOYSA-N
rxn:4:201987:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)cc2)CC1,SRUNNYQSGKXWCA-RQNOJGIXSA-N
rxn:4:202284:223667,COc1ccc(-c2ccc(OC(F)(F)F)cc2OCc2ccccc2)cc1CN1CCC(N2CCCC2)CC1,FKBWRPSCAVQBOE-UHFFFAOYSA-N
rxn:4:202284:225043,COc1ccc(-c2ccc(OC3CCCCC3)c(F)c2)cc1CN1CCC(N2CCCC2)CC1,BVNWEHYBTNVMJZ-UHFFFAOYSA-N
rxn:4:202284:225199,COc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)cc1CN1CCC(N2CCCC2)CC1,BPTAXQKNGFWOAH-UHFFFAOYSA-N
rxn:4:202656:223497,CC(c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3s2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,XCJKRHOIJAZUHG-UHFFFAOYSA-N
rxn:4:213214:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)c(F)c2)CC1,NGPXIMRJXZNEHZ-SOAUALDESA-N
rxn:4:221986:223794,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCc4ccccc4)c(C(F)(F)F)c3)cc2)CC1,VLLPQYIPIVOTJD-UHFFFAOYSA-N
rxn:4:222114:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)CN4CCN(c5ncnc6c(C)nn(C)c56)CC4)c3)cc2)CC1,LVKVLZYDDORCIR-MCZWQBSQSA-N
rxn:4:222126:224426,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)CC1,FCNLPGOERRNNPP-UHFFFAOYSA-N
rxn:4:222367:222615,CC(C)Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc(C2CCNCC2)c1,SBOKRYFKOAUQBM-UHFFFAOYSA-N
rxn:4:222389:173481,CC(C)(C)OC(=O)CCCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,INIXOBFWPIZGGD-UHFFFAOYSA-N
rxn:4:222389:174362,CCOC(=O)C(F)(F)c1ccc(-c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1,SABHSKLYZOAVAG-UHFFFAOYSA-N
rxn:4:222389:174549,CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OKRFDVKTYGHYGS-UHFFFAOYSA-N
rxn:4:222389:174571,CC(C)(C)OC(=O)COc1ccc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2c1,QGSRNDHMTHLSFO-UHFFFAOYSA-N
rxn:4:222389:174578,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3)cc12,LOHWFTLBXUNWFW-UHFFFAOYSA-N
rxn:4:222389:175735,COc1cc(C(=O)OC(C)(C)C)c(F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,SMGZRXZGZYAEFD-UHFFFAOYSA-N
rxn:4:222389:183986,Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,ODPXHPDUBQFJQN-UHFFFAOYSA-N
rxn:4:222389:199614,O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)C1,JDIFROLJPMAZMZ-UHFFFAOYSA-N
rxn:4:222542:183996,Cc1ccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CCCC3)c2)cc1OCCCN1CCNCC1,ABDYBQRXNSGTDR-UHFFFAOYSA-N
rxn:4:222621:174376,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(CC(C)C)nc(C2CCCNC2)c1,HXWZJVKYSUSGGN-UHFFFAOYSA-N
rxn:4:222621:174404,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(CC(C)C)nc(C3CCCNC3)c2)c1,HAIXSQWFDIGXQP-UHFFFAOYSA-N
rxn:4:173280:222404,O=C1NC(=O)C(c2ccc(-c3ccc(OCC(F)(F)C(F)(F)F)cc3OC(F)(F)F)cc2)N1,KZZAOZDLVOWAFD-UHFFFAOYSA-N
rxn:4:173442:222616,CCOC(=O)C(C)(C)COc1ccc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)cc1,RJOSBOACRVRHNL-UHFFFAOYSA-N
rxn:4:173492:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(COc2ccc(OC(C)=O)cc2F)c1,OUFCTFANDSNYJY-UHFFFAOYSA-N
rxn:4:173531:223753,Cc1ccc(-c2cc(OCC(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,GWDFRVXPZAPRAE-UHFFFAOYSA-N
rxn:4:173546:223753,Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2OCc2ccccc2)cc1OCCCN1CCN(C)CC1,GUJGIMVTMAFFIT-UHFFFAOYSA-N
rxn:4:173546:223893,CCN1CCN(CCOc2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3OCc3ccccc3)c2)CC1,YTUIOIDFAXLWMM-UHFFFAOYSA-N
rxn:4:173572:224496,CCN1CCN(Cc2cccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)c2)CC1,UZLZKDAUDMSVDW-UHFFFAOYSA-N
rxn:4:173579:223895,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(CC)CC4)cc3)c2)c1,JEOODQDSHYPKSA-UHFFFAOYSA-N
rxn:4:173580:222629,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c2)cc1,ZCILQVRIBNJLPB-UHFFFAOYSA-N
rxn:4:173606:222538,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,XJNHVMVWMFHXBB-UHFFFAOYSA-N
rxn:4:173607:222628,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,SIPOMCKDEIBULD-UHFFFAOYSA-N
rxn:4:173623:222851,CCOC(=O)c1c(C)oc2cc(-c3cc(CC)nc(C4CCNCC4)c3)c(OCC=C(C)C)cc12,IYIKBNHSCDIAFD-UHFFFAOYSA-N
rxn:4:173623:222855,CCOC(=O)c1c(C)oc2cc(-c3cc(OC)cc(C4CCCNC4)c3)c(OCC=C(C)C)cc12,WWVMEVOODZXFPX-UHFFFAOYSA-N
rxn:4:173643:222988,COC(=O)c1c(C)oc2cc(-c3cc(C)nc(C4CCNCC4)c3)c(OCC(=O)C(C)(C)C)cc12,QJVRBENJUFWGDU-UHFFFAOYSA-N
rxn:4:180202:222389,Clc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OC1CCOCC1,JIPSJDCTKVOFQD-UHFFFAOYSA-N
rxn:4:180378:222389,Cc1ccc(OC2CCCCO2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,GTKOKNHTGOBULW-UHFFFAOYSA-N
rxn:4:183948:224179,CN1CCN(CCOc2ccc(-c3ccc(Oc4ccc(C#N)cc4)cc3COC3CCCCO3)cc2)CC1,HCOYNPSRQLEMMY-UHFFFAOYSA-N
rxn:4:200880:222663,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)Nc5ccc(F)cc5)c4)cc3)CC2)CC1,OASMKVYUWOFIMY-UHFFFAOYSA-N
rxn:4:200880:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(CC(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1,CDMIOVBBAOJSSI-UHFFFAOYSA-N
rxn:4:200880:228646,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(C)c(F)c4)cc3)CC2)CC1,FWFYNRVDIBFGRC-UHFFFAOYSA-N
rxn:4:201895:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC(=O)N4CCN(CC)CC4)ccc3Cl)cc2)CC1,MFUDWVICKAXXJQ-YOCNBXQISA-N
rxn:4:202250:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)cc2)CC1,XYQKYPDLGZKVQC-DIVCQZSQSA-N
rxn:4:202274:223811,CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,FZTBTCTVNKUCTN-BHYZAODMSA-N
rxn:4:202284:223757,COC(=O)c1cc(OCc2ccccc2)cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)c1,SSJVQZSVRCUPCC-UHFFFAOYSA-N
rxn:4:202341:225461,Cc1cc(N2CCCCC2)ccc1-c1cc(CN2CCN(C(C)C)CC2)cc(C(C)(C)C)c1,JOOZAAYOQGNMAV-UHFFFAOYSA-N
rxn:4:203965:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3Cl)cc2C)c1,BKYAARLAWBTADD-UHFFFAOYSA-N
rxn:4:204065:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)cc3C)cc2)CC1,WWZVFAHAGQQCKO-DIVCQZSQSA-N
rxn:4:213261:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,SRKBFVIGWUJNIU-SOAUALDESA-N
rxn:4:213698:223847,CCCCCC1CCC(c2ccc(-c3ccc(OC4CCN(C(=O)c5csc(C)n5)C4)nc3)cc2)CC1,ZMRZGRIUMKEKEU-UHFFFAOYSA-N
rxn:4:222389:173493,COC(=O)c1cc(F)c(OCc2ccc(OC)cc2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,JXVWPNUDAWVVRW-UHFFFAOYSA-N
rxn:4:222389:173599,COCCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC)cc12,KDSOLLMMPMZUSV-UHFFFAOYSA-N
rxn:4:222389:174434,CC(C)Oc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,GWNDNCMSGVOPCK-UHFFFAOYSA-N
rxn:4:222389:176012,O=C(Oc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)C1=C(c2ccccc2)SCCO1,XZYFJHYKPYJMJF-UHFFFAOYSA-N
rxn:4:222389:176163,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)cc1,SSDJEXYBGGAENY-UHFFFAOYSA-N
rxn:4:222389:219472,COc1ccnc(N2CCN(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,LXWOYMFEPDWHNP-UHFFFAOYSA-N
rxn:4:222741:184100,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,CTNSSNOLURUXBV-UHFFFAOYSA-N
rxn:4:173279:222389,FCCCOc1cc(OC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,KJEMHOPJLNZXIF-UHFFFAOYSA-N
rxn:4:173473:222389,CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,DWISSRQBYCARGC-UHFFFAOYSA-N
rxn:4:173572:222541,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1,RVEYBNWQMZVFHY-UHFFFAOYSA-N
rxn:4:173672:224127,CCN1CCN(C(C)c2ccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OCc3ccccc3F)cc2)CC1,STDSDOWJFSDWQZ-UHFFFAOYSA-N
rxn:4:174491:222465,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)OC1,GWRIAZYRAZTAQS-UHFFFAOYSA-N
rxn:4:178382:222845,CC(c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1)N1CCNCC1,ADJHQSRYKWMRDZ-UHFFFAOYSA-N
rxn:4:185211:223895,CCN1CCN(CCOc2ccc(-c3cc(C(C)(C)C)c([N+](=O)[O-])cc3OCc3ccccc3)cc2)CC1,CUVYRPUBLZCPOV-UHFFFAOYSA-N
rxn:4:187676:225617,CN(Cc1cc(-c2ccc(OC3CCCCO3)cc2)cc(C(C)(C)C)c1)C1CCOCC1,BIRQKDCMWSFYSE-UHFFFAOYSA-N
rxn:4:200698:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,CLSISQRGSXVMAP-UHFFFAOYSA-N
rxn:4:200807:224127,CCN1CCN(C(C)c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3OC)cc2)CC1,HXNKDCSADULAQJ-UHFFFAOYSA-N
rxn:4:200880:224428,CCCCOc1ccc2cc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)ccc2c1,NPVNLXDMBKRJDO-UHFFFAOYSA-N
rxn:4:201937:223847,CCCCCC1CCC(c2ccc(-c3cc(C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,IXIGBYSSXUDPME-UHFFFAOYSA-N
rxn:4:202233:222389,CC1CCCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(C(=O)OC(C)(C)C)n2)C1,NHXCHTNYGNDYQU-UHFFFAOYSA-N
rxn:4:202284:226154,COc1ccc(-c2ccc(C(C)(C)C)cc2OC)cc1CN1CCC(N2CCCC2)CC1,BNFNAYVFQSAZHM-UHFFFAOYSA-N
rxn:4:202306:224969,CCN1CCN(Cc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C)c3)cc(C(C)(C)C)c2)CC1,FUPALPNOMCZZBI-UHFFFAOYSA-N
rxn:4:202767:222389,O=C(COc1ccc(Cl)cc1)N1CCc2[nH]c3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cccc3c2C1,UCLHWIGASJOPII-UHFFFAOYSA-N
rxn:4:204092:224625,Cc1cc(-c2cc(Cl)c(OC(C)C)c(OC(C)C)c2)ccc1CN1CCC(N(C)C)CC1,SVNIJRRKQHXXLX-UHFFFAOYSA-N
rxn:4:204131:223563,COc1cc(COc2c(C)cc(-c3ccc(CN4CCC(N5CCOCC5)CC4)cc3)cc2C)cc(OC)c1,VQMDAUFZCQSCBS-UHFFFAOYSA-N
rxn:4:212748:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,IXKORJRTYLAGRN-UHFFFAOYSA-N
rxn:4:213354:222389,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn1)C2,PFYSDAZSWRBRHR-UHFFFAOYSA-N
rxn:4:214079:226103,CCCOc1c(C)cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)cc1C,AXZDOTISQUGSOS-UHFFFAOYSA-N
rxn:4:214862:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,AANFRQXHKICMLI-IWJLFLQVSA-N
rxn:4:214900:223758,COc1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCCCC3)c2)cc(OC)c1OCc1ccccc1,YEJXWEKPCAMLCL-UHFFFAOYSA-N
rxn:4:219453:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)c(F)c2)CC1,AOJFFKNERPEQAX-UBDLTWLFSA-N
rxn:4:221193:224553,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCc5ccccc5)cc4Cl)cn3)C2)CC1,YCDCGCUWVSNXHQ-UHFFFAOYSA-N
rxn:4:222125:223847,CCCCCC1CCC(c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)cc2)CC1,OEERRMHDFHTBTH-UHFFFAOYSA-N
rxn:4:222389:173477,CCOC(=O)c1ccc(OCc2ccccc2F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,VBAIBYRFQUSMQL-UHFFFAOYSA-N
rxn:4:222389:174313,CCOc1ccc(C(=O)OC(C)(C)C)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AVZOLSBYZKTUIW-UHFFFAOYSA-N
rxn:4:222389:174446,COC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(-c2ccc(F)cc2)cc1OC(C)C,SVDWZHCGTDXZOM-UHFFFAOYSA-N
rxn:4:222389:174521,CC(C)(C)OC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,LLDUBJYIKODMPF-UHFFFAOYSA-N
rxn:4:222389:178304,O=C(c1ccc(C2OCCO2)cc1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(F)c1,BQUSWLSMIQFRDG-UHFFFAOYSA-N
rxn:4:222389:199587,Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3Cl)co2)n1,YWTYQSADUZQTSE-UHFFFAOYSA-N
rxn:4:222570:214078,CCN1CCN(Cc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cc2N2CCCCC2)CC1,AYSQFKLQBOVKIM-UHFFFAOYSA-N
rxn:4:222622:199643,CCC(C)c1cc(-c2ccc(OCCCN3CCN(CC)CC3)c(F)c2)cc(C2CCCNC2)n1,KEOCMKBYYMVTBS-UHFFFAOYSA-N
rxn:4:223894:173617,CCOC(=O)c1c(C)oc2cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c(OC(=O)c3ccccc3)cc12,KLXBVEHATFAPRM-UHFFFAOYSA-N
rxn:4:173363:222630,CCOC(=O)c1cc(C(=O)OCC)cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,UOUHBEINCUZUDP-UHFFFAOYSA-N
rxn:4:173476:222389,CCOC(=O)c1ccc(OCc2cccc(F)c2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,SRYVQLMVYCFUQV-UHFFFAOYSA-N
rxn:4:173578:222631,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)c1,LBTRFSXVNPBQAE-UHFFFAOYSA-N
rxn:4:173579:222542,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)c1,UBGQVVAHWXJBCU-UHFFFAOYSA-N
rxn:4:173606:222622,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C(C)CC)nc(C2CCCNC2)c1,PXKUHVRWWZJDQO-UHFFFAOYSA-N
rxn:4:173606:222848,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC)nc(C2CCCNC2)c1,BQJKWHSTUOZCLX-UHFFFAOYSA-N
rxn:4:173607:222616,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c(OC(=O)C(C)C)cc12,KYCSZSNXCBDFGJ-UHFFFAOYSA-N
rxn:4:173672:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OCc3ccccc3F)c2)CC1,BOORCVGZNRKEHH-UHFFFAOYSA-N
rxn:4:176116:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)c2)cc1OCCCN1CCN(C)CC1,PPOQDGOYKZFSBC-UHFFFAOYSA-N
rxn:4:185086:222615,Cc1cc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)ccc1OCCCN1CCOCC1,YMXVAQDCBVCFOL-UHFFFAOYSA-N
rxn:4:185495:222538,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc12,FOGRPOONHSCDEE-UHFFFAOYSA-N
rxn:4:190104:222389,COC(=O)c1c(C2CCCCC2)ccnc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,AHPYOOIWKBXZBH-UHFFFAOYSA-N
rxn:4:200880:223677,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(Cl)c(OCc5ccccc5)c(C(F)(F)F)c4)cc3)CC2)CC1,NDMOKFJWXKDDKU-UHFFFAOYSA-N
rxn:4:200880:223678,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)cc(OCc5ccccc5)c4F)cc3)CC2)CC1,CGMOZYBGFMRZLA-UHFFFAOYSA-N
rxn:4:200880:224626,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COCc5cccs5)c(F)c4)cc3)CC2)CC1,RFTXJSWSVTXKDV-UHFFFAOYSA-N
rxn:4:201939:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(C)c3)cc2)CC1,YVNVZMIEPMGTHL-RQNOJGIXSA-N
rxn:4:202250:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3F)cc2)CC1,OUJSFIBVTHLXGJ-MCZWQBSQSA-N
rxn:4:202284:226095,CCCCOc1cc(C)cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)c1,ZIFLJQLMPWNCNI-UHFFFAOYSA-N
rxn:4:202341:225423,CC(C)N1CCN(Cc2cc(-c3ccc(CCCCN(C)C)cc3)cc(C(C)(C)C)c2)CC1,NKRHXNWGVYBZQM-UHFFFAOYSA-N
rxn:4:203898:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3OC)cc2)CC1,SYUOWYHEOBECML-HZCBDIJESA-N
rxn:4:204006:224801,CCCOc1cc(-c2cc(F)cc(CN3CCC(N(C)C)CC3)c2)cc(C(F)(F)F)c1F,XTXSKCYGBZKTKG-UHFFFAOYSA-N
rxn:4:214082:223664,CC(C)N1CCN(Cc2ccc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cc2N2CCOCC2)CC1,JTPYYUGYWLXNSJ-UHFFFAOYSA-N
rxn:4:214894:224775,CN1CCN(Cc2ccc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cc2N2CCOCC2)CC1,PHQPLRCIEMVKKK-UHFFFAOYSA-N
rxn:4:221193:224134,Cc1cc(OCc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2)ccc1Cl,VCDFTUOVZBDWFG-UHFFFAOYSA-N
rxn:4:222126:223674,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COc4cc(C(F)(F)F)ccc4Cl)cc3)cc2)CC1,KFVCIVRUUSWRFY-UHFFFAOYSA-N
rxn:4:222389:173531,CC(C)COc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,ZLSLZIUCYLVOSO-UHFFFAOYSA-N
rxn:4:222389:174495,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,QDJMOOFLDMDWFB-UHFFFAOYSA-N
rxn:4:222389:176114,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(-c2ccccc2F)c1,PGQYIYVADGJYCE-UHFFFAOYSA-N
rxn:4:222389:178170,O=C(Oc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)C1CCCCC1,WVZCXSNCEHUZCY-UHFFFAOYSA-N
rxn:4:222389:185201,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VSOTWDXMROSNAZ-UHFFFAOYSA-N
rxn:4:223841:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c2)c1,CWQYUBFQHJWYQD-UHFFFAOYSA-N
rxn:4:173430:222389,CCCCCc1ccc(C(=O)OC)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QQSHYZNPXSPKQZ-UHFFFAOYSA-N
rxn:4:173547:223787,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cc2F)CC1,OSXBICMTQINWNF-UHFFFAOYSA-N
rxn:4:173572:222623,CCC(C)c1cc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc(C2CCNCC2)n1,XCQXKOARMJHPHU-UHFFFAOYSA-N
rxn:4:173579:222389,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,UVYRJMDBRRKVAW-UHFFFAOYSA-N
rxn:4:173580:223994,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)c2)cc1,YEOVNDWWNCPNAY-UHFFFAOYSA-N
rxn:4:173642:222623,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,BKSDNAIIZQLSAA-UHFFFAOYSA-N
rxn:4:174376:222628,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCC2)nc(C2CCCNC2)c1,GGYPFKWTVFPSEI-UHFFFAOYSA-N
rxn:4:174434:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3OC(C)C)cc2)CC1,KJAMSAYHULLJST-UHFFFAOYSA-N
rxn:4:174482:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1OCCCN1CCN(C)CC1,CTYTXDUZVWWJNR-UHFFFAOYSA-N
rxn:4:174496:222607,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3)c2)c1,YOLVQMZUGGVOOZ-UHFFFAOYSA-N
rxn:4:174567:222538,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,OYZZZLZKSVHLTO-UHFFFAOYSA-N
rxn:4:176162:223787,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)c1,KUQFCNOKECNAGG-UHFFFAOYSA-N
rxn:4:185446:224664,CC(c1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PQAFVIIJJYEWDY-UHFFFAOYSA-N
rxn:4:200838:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3CCC(=O)N3CCCN(C4CCOC4)CC3)cc2)CC1,AJKWBIOKRWYICZ-QHFDLUPOSA-N
rxn:4:200879:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCCC(C(=O)N5CCCCC5)C4)c3)cc2)CC1,VSBAOPYNTYIQQC-QHFDLUPOSA-N
rxn:4:200880:223874,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)OCc5ccccc5)c(C)c4)cc3)CC2)CC1,FVOXEJDUPSIVEB-UHFFFAOYSA-N
rxn:4:200880:224055,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(C)cc(OCc5ccccc5)cc4C)cc3)CC2)CC1,UTWDIABLBNKAFP-UHFFFAOYSA-N
rxn:4:202161:222437,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,FRWJNIKGTWMKJS-UHFFFAOYSA-N
rxn:4:202284:223756,COc1cc(COc2cccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)c2)cc(OC)c1,DMAMPHBFHWYOCL-UHFFFAOYSA-N
rxn:4:202284:224493,COc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1CN1CCC(N2CCCC2)CC1,NYIUQMVKPBMQFX-UHFFFAOYSA-N
rxn:4:202341:224975,CCN1CCN(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)CC1,SHUTXYQYFJNZBG-UHFFFAOYSA-N
rxn:4:212745:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,WQEYCRQJFSABEW-UHFFFAOYSA-N
rxn:4:213398:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc(=S)c5c(n4CCCN(C)C)CCCC5)cc3)cc2)CC1,ZZVMXWJXCPUHAR-MCZWQBSQSA-N
rxn:4:221193:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1cnc(OCC2CCCN(C(=O)N3CCN(C)CC3)C2)nc1,BNGZZDQSIKQIPL-UHFFFAOYSA-N
rxn:4:221929:224424,CCCC1CCC(c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)cc2)CC1,BSBUNQMBYLMTCX-UHFFFAOYSA-N
rxn:4:222112:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)nc3)cc2)CC1,FTKIPWVZLVYQLE-KWQFAZJVSA-N
rxn:4:222389:174490,CC1(C)COC(CCCC(=O)c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)OC1,YVURPKODOABORE-UHFFFAOYSA-N
rxn:4:222389:174930,O=S(=O)(CCC(F)(F)F)c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,SNOHZBZGOADGBW-UHFFFAOYSA-N
rxn:4:222389:176010,O=C(Oc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)C1=C(c2ccccc2)SCCO1,VZEGYYHCQHTMSB-UHFFFAOYSA-N
rxn:4:222389:179297,CC(=O)c1cc(C(F)(F)F)cc(Cl)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NTURMFFSPGICFV-UHFFFAOYSA-N
rxn:4:222389:184014,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,PIBCOJJITKJSFS-UHFFFAOYSA-N
rxn:4:222389:184188,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c2ccccc12)C1CCC1,KGVHQRDHROZAPB-UHFFFAOYSA-N
rxn:4:222389:187670,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,YDYFDXGWWVJEOW-UHFFFAOYSA-N
rxn:4:222389:193967,Clc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1CN1CCC2(CC1)OCCO2,WBPIYQMXTFPSAW-UHFFFAOYSA-N
rxn:4:222542:173617,CCOC(=O)c1c(C)oc2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c(OC(=O)c3ccccc3)cc12,RGDIGUCBWRLMHI-UHFFFAOYSA-N
rxn:4:173547:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2OCc2ccccc2)cc1OCCCN1CCN(C)CC1,NDDGAQSYXFUGTN-UHFFFAOYSA-N
rxn:4:173553:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCNCC1,LWBGPWKFIIKYMQ-UHFFFAOYSA-N
rxn:4:173579:222623,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c2)c1,NICPZONUBCEOAS-UHFFFAOYSA-N
rxn:4:173657:222851,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(CC)nc(C3CCNCC3)c1)C2=O,HGSKKNIWQZSIKO-UHFFFAOYSA-N
rxn:4:174376:223753,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1ccc(C)c(OCCCN2CCN(C)CC2)c1,VHULVTHMXHVBDW-UHFFFAOYSA-N
rxn:4:174498:223895,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4F)c3)cc2)CC1,OFLQEGBQHOLZKN-UHFFFAOYSA-N
rxn:4:174548:222631,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)c(OC(C)=O)cc12,SPTJEUPFTIWCKQ-UHFFFAOYSA-N
rxn:4:183664:222389,CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XUEUBGJJFDAZJJ-UHFFFAOYSA-N
rxn:4:184649:222538,CCOC(=O)Cc1cc(C)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(C#N)c1,FWRULYZLHWPSQL-UHFFFAOYSA-N
rxn:4:190497:223892,CC1CCCN(Cc2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc(C(C)(C)C)c2)C1,VTVOFKQCVURCBD-UHFFFAOYSA-N
rxn:4:200695:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1,DQOIKRLPYMCSKT-YOCNBXQISA-N
rxn:4:200880:224521,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(Cl)c(OCc5ccccc5)c4)cc3)CC2)CC1,ZWXSQXKJLNXPJY-UHFFFAOYSA-N
rxn:4:200884:224560,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(SCc4cccc(F)c4)cc3)cc1)C2,YUULPDLTEOWQBY-UHFFFAOYSA-N
rxn:4:200895:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCCCC4CCN4CCCCCC4)cc3)c(F)c2)CC1,IACWAJNTZWFKGH-UHFFFAOYSA-N
rxn:4:201989:224120,CCOc1ccc(CN2CCN(C)CC2)cc1-c1ccc(CO[Si](C)(C)C(C)(C)C)c(C)c1,DBFWWHZWNPCHNF-UHFFFAOYSA-N
rxn:4:202094:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(CCN4CCN(C(C)C)CC4)ccc3F)cc2C)c1,XMYRILKJCGUOCZ-UHFFFAOYSA-N
rxn:4:202162:223563,COc1cc(COc2c(C)cc(-c3cccc(OC(C)C)c3CN3CCN(C)CC3)cc2C)cc(OC)c1,QJLRBHVLDJLUOD-UHFFFAOYSA-N
rxn:4:202242:224180,CN1CCN(CCOc2ccccc2-c2ccc(C(=O)c3cccc(CN4CCN(C)CC4)c3)cc2)CC1,PUZNRIGNUPZSQR-UHFFFAOYSA-N
rxn:4:202341:225469,CC1CCCN(c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)cc2)C1,IGTDRMJXBYBCRI-UHFFFAOYSA-N
rxn:4:202711:222389,C[C@H]1CC[C@H](c2ccc3sc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)nc3c2)N(C(=O)OC(C)(C)C)C1,LFGJQSVIHCFAFM-KCWXNJEJSA-N
rxn:4:203934:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,NKWAQKOUKVKSSC-HZCBDIJESA-N
rxn:4:204066:224460,Cc1cc(C(=O)N2CCC(N(C)C)CC2)cc(-c2cc(C3CC3)cc(N3CCCCC3)c2)c1,NAEMLYWBNUMWAZ-UHFFFAOYSA-N
rxn:4:204091:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1ccc(CN2CCC(N(C)C)CC2)cc1C,HWQYUYIHXKWESE-UHFFFAOYSA-N
rxn:4:212696:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cc2)CC1,SZRNTGPWZPVEMP-FBSWEULCSA-N
rxn:4:212737:224441,CCOc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,IAULAENXKZQHQC-UHFFFAOYSA-N
rxn:4:212740:224844,CCc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,UDWHNDXTRBHUFC-UHFFFAOYSA-N
rxn:4:212748:224846,CCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-UHFFFAOYSA-N
rxn:4:212748:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-IVCFNLRISA-N
rxn:4:213216:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(CC5CCCCO5)C4)nc3)cc2)CC1,SEEJNJPLHYXHKY-QFSNKDSUSA-N
rxn:4:213914:223847,CCCCCC1CCC(c2ccc(-c3cccc(N4CCN(Cc5ccccc5)CC4)c3C#N)cc2)CC1,PYXOYSVBKHFXKL-UHFFFAOYSA-N
rxn:4:213978:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C)CC4)n3)cc2)CC1,AUELZWMLCGHCND-SOAUALDESA-N
rxn:4:214058:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cncc(C(=O)N2CCC(N3CCC(OC)CC3)CC2)c1,HMIVRZNIOAIFQE-UHFFFAOYSA-N
rxn:4:214082:223814,CC(C)N1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2N2CCOCC2)CC1,RDHDAEFGMRWUMP-UHFFFAOYSA-N
rxn:4:221994:225407,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C6CCCCCC6)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HLHDQOYUOBJVEG-UHFFFAOYSA-N
rxn:4:222389:184267,N#Cc1cc(OCCC(F)(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OITXEEHBYGTMSI-UHFFFAOYSA-N
rxn:4:222389:207831,CC1(C)OC(=O)C(=Cc2c(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nc3sccn23)C(=O)O1,JCNDRPZNUQUACS-UHFFFAOYSA-N
rxn:4:222741:184726,COC(=O)c1cc(OC(C)C)c(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1[N+](=O)[O-],CIBMKDKEGNZDQY-UHFFFAOYSA-N
rxn:4:173572:222542,Cc1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1OCCCN1CCNCC1,RJRMKBPZDWCIMY-UHFFFAOYSA-N
rxn:4:173572:222628,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1,LQTVXLUUGIZHLX-UHFFFAOYSA-N
rxn:4:173575:222466,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)OC1,POHOBJIPSLREMM-UHFFFAOYSA-N
rxn:4:173579:224126,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C(C)N4CCN(CC)CC4)c3)c2)c1,BVABVFDJGFNXQI-UHFFFAOYSA-N
rxn:4:173580:224179,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)cc3)c2)cc1,ZCECIYKJKAJSFY-UHFFFAOYSA-N
rxn:4:173643:222855,COC(=O)c1c(C)oc2cc(-c3cc(OC)cc(C4CCCNC4)c3)c(OCC(=O)C(C)(C)C)cc12,BOWIOZGHSNCMAR-UHFFFAOYSA-N
rxn:4:174403:222615,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)c1,MGCLLAWTLGFITQ-UHFFFAOYSA-N
rxn:4:174434:222615,CC(C)Cc1cc(-c2ccc(C(=O)OC(C)(C)C)cc2OC(C)C)cc(C2CCNCC2)c1,YBACANHYAWNDEK-UHFFFAOYSA-N
rxn:4:178597:224497,CCN1CCN(Cc2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2)CC1,IMOYSWHFRURTBQ-UHFFFAOYSA-N
rxn:4:183995:222389,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,JKDPEMDCCZSXCX-UHFFFAOYSA-N
rxn:4:184053:223892,CN1CCN(CCCOc2ccc(-c3cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c3)cc2)CC1,VYDKJRZEKQKTFM-UHFFFAOYSA-N
rxn:4:184128:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12,DLPJYZRULLUJNI-UHFFFAOYSA-N
rxn:4:187361:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)ccc1CN(C)C1CCOCC1,ARFAXORXHDADEW-UHFFFAOYSA-N
rxn:4:200694:223847,CCCCCC1CCC(c2ccc(-c3cc(C(C)C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,WWIPHJXHSJKNPQ-UHFFFAOYSA-N
rxn:4:200880:222733,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)Nc5ccccc5)c4)cc3)CC2)CC1,KJKOZKIHOUDAEA-UHFFFAOYSA-N
rxn:4:200880:223796,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(COc5cccc(C(F)(F)F)c5)c4)cc3)CC2)CC1,VHYDZCYBKQYBEG-UHFFFAOYSA-N
rxn:4:200880:223807,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5cccc(C(F)(F)F)c5)cc4)cc3)CC2)CC1,KCPMSDRQJPSQGY-UHFFFAOYSA-N
rxn:4:200880:224442,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccccc4COc4ccccc4C)cc3)CC2)CC1,GZADHTWBJDXFGI-UHFFFAOYSA-N
rxn:4:200880:227121,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(C)(C)C)cc4Cl)cc3)CC2)CC1,MSCXKIZVNMSYDS-UHFFFAOYSA-N
rxn:4:201132:224867,COc1ccc2cc(-c3ccc(OCC4CCCCC4)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,NWSRZMMQHIRMRH-UHFFFAOYSA-N
rxn:4:201828:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(OCCN4CCN(C)CC4)c3)cc2)CC1,MREOKEYTQVTDOM-DIVCQZSQSA-N
rxn:4:202161:224459,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(N2CCCC2)c(C(C)(C)C)c1,UFYSGHAXASOWFM-UHFFFAOYSA-N
rxn:4:202226:222389,Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)n1,AYPGOCYKSSGSCH-UHFFFAOYSA-N
rxn:4:204465:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)N(CCN(C)C)C(=O)C4=O)cc2)CC1,IKDYYIULBJYVIZ-HZCBDIJESA-N
rxn:4:207794:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)cc2)CC1,UYSIKGIXZUHLFO-YOCNBXQISA-N
rxn:4:212745:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,YJSPFHFUHYRPSG-HBPRZLDLSA-N
rxn:4:213243:224853,CC1(C)CCC(c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,UKZYEASWKKGWOK-UHFFFAOYSA-N
rxn:4:214082:224099,CC(C)N1CCN(Cc2ccc(-c3ccc(SCc4ccccc4C#N)cc3)cc2N2CCOCC2)CC1,KRWFCFPMAOZRBY-UHFFFAOYSA-N
rxn:4:218902:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN(CCn5cccn5)CC4)c3)cc2)CC1,KUHKAQGNKDQXEK-UHFFFAOYSA-N
rxn:4:221227:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)cc2)CC1,KDIYUZBHWCACIM-FITUOABBSA-N
rxn:4:221535:223847,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,RDHIRHSSVVDKJU-UHFFFAOYSA-N
rxn:4:222389:175970,c1cc(OCCC2CCCCC2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,CLBOTFSIRMSMRP-UHFFFAOYSA-N
rxn:4:222389:185320,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2Cl)CC1,OLRXCCXSBNXJNF-UHFFFAOYSA-N
rxn:4:222389:187475,CCC1CCCCN1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1COC,MXURWMZQLNWCAJ-UHFFFAOYSA-N
rxn:4:222389:199709,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)CC1,AFXIGTYBIAQVDA-UHFFFAOYSA-N
rxn:4:222740:174491,CC(C)c1cc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc(C2CCCNC2)n1,SMRUJMCHZNRMFY-UHFFFAOYSA-N
rxn:4:173553:223743,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCC(C)CC1,PPCRJWFAVJFQPD-UHFFFAOYSA-N
rxn:4:174570:222628,CCCCCCC1CC(=O)c2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)ccc2O1,RBSKJBMIMWALAD-UHFFFAOYSA-N
rxn:4:176162:223786,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)c1,CEWHDVUPIATJHN-UHFFFAOYSA-N
rxn:4:176165:223754,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCC(C)CC4)c(Cl)c3)c2)c1,HCSFXUCYRGGWRU-UHFFFAOYSA-N
rxn:4:180534:222623,CCC(C)c1cc(-c2ccc(-c3ccc(C=C4C(=O)OC(C)(C)OC4=O)o3)cc2)cc(C2CCNCC2)n1,VHFACHGVIPAQAY-UHFFFAOYSA-N
rxn:4:185065:222389,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cnc1Oc1ccc(F)cc1,OYTQSMUWKHSXAC-UHFFFAOYSA-N
rxn:4:185222:223892,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)OCc4ccccc4)c(N4CCCC4)c3)cc2)CC1,GZUIPWIBMSABLN-UHFFFAOYSA-N
rxn:4:187360:222629,COc1cc(CN(C)C2CCOCC2)ccc1-c1cc(C2CCCNC2)nc(C(C)(C)C)c1,AWRZCQLTNLCOKP-UHFFFAOYSA-N
rxn:4:199827:224424,CCCC1CCC(c2ccc(-c3ccc(CCN4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cc2)CC1,OSMOVHVRRZDCQI-UHFFFAOYSA-N
rxn:4:200762:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(C4)CN(C(=O)OC(C)(C)C)C5)cc3)cc2)CC1,PEVFIGVTTSMSGH-YOCNBXQISA-N
rxn:4:200779:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCN(CC=Cc5ccccc5)CC4)cc3)c2)CC1,UIZHUCXVBUZBFW-UHFFFAOYSA-N
rxn:4:201132:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)c(F)c2)CC1,NQLVURNEFUSHTG-SOAUALDESA-N
rxn:4:202161:224426,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C2CCCCC2)cc(C2CC2)c1,UITOPYXYBMNJKD-UHFFFAOYSA-N
rxn:4:202203:223743,Cc1ccc(-c2ccc(CN3CCN(C)CC3)c(Oc3ccccc3)c2)cc1OCCCN1CCC(C)CC1,OSKOCSVIBICTKS-UHFFFAOYSA-N
rxn:4:202274:223813,CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc1,XIOARXGRJBEIDN-BHYZAODMSA-N
rxn:4:202290:224013,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4cnc(-c5ccc(C(F)(F)F)cc5)nc4Cl)cc3)CC2)C1,ZXTDIZMHNDTNPC-UHFFFAOYSA-N
rxn:4:203934:224061,CCCC1CCC(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)c(F)c2)CC1,POLNXWBIONKAQR-UHFFFAOYSA-N
rxn:4:204035:223563,COc1cc(COc2c(C)cc(-c3ccc(C(F)(F)F)c(N4CCC(N(C)C)CC4)c3)cc2C)cc(OC)c1,APNGTVCLPZGCRT-UHFFFAOYSA-N
rxn:4:204150:223878,Cc1cc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc(C)c1OCc1ccc(Cl)cc1,IJMXTMRMPCGXGH-UHFFFAOYSA-N
rxn:4:206889:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C4CCCN4C(C)C)n3)c(F)c2)CC1,KBZPMYMCRMPYPP-RZWCHVLBSA-N
rxn:4:212740:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,COPJPTKDRORBAH-UHFFFAOYSA-N
rxn:4:212744:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,ILDVWUDQCMRIPK-UNWRIRMBSA-N
rxn:4:212748:223847,CCCCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,YBYOFHUIOOWQJY-UHFFFAOYSA-N
rxn:4:212927:222389,N#Cc1nc(COc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)oc1N1CCOCC1,YZBOWWSJAXHBPK-UHFFFAOYSA-N
rxn:4:213266:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)c(F)c2)CC1,CTHJRKRITWAKKZ-DIVCQZSQSA-N
rxn:4:214082:223667,CC(C)N1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3OCc3ccccc3)cc2N2CCOCC2)CC1,BNKVTUHVQLFPQR-UHFFFAOYSA-N
rxn:4:214879:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4C(=O)CC(N5CCN(CC)CC5)C4=O)cc3)c(F)c2)CC1,KLXJYKRAKJCOHH-UHFFFAOYSA-N
rxn:4:218698:224853,CC1(C)CCC(c2ccc(-c3ccc(N4CC(C(=O)N5CCN(CCc6ccncc6)CC5)CC4=O)cc3)cc2)CC1,UNJFQBZDVBEAFO-UHFFFAOYSA-N
rxn:4:219131:223847,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCCN(C(=O)Cc5c[nH]c6ccccc56)C4)nc3)cc2)CC1,LFIANNDCTPDBFP-UHFFFAOYSA-N
rxn:4:221387:222389,Cc1ncnc(OCC2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,XSEVDNKBQOZDFI-UHFFFAOYSA-N
rxn:4:221446:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5nc(C)cc(N6CCOCC6)n5)CC4)cc3)cc2)CC1,SQFSJOIWWDCWBQ-OHRWXDHWSA-N
rxn:4:222542:176165,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)c1,WNIURUWSLFILOZ-UHFFFAOYSA-N
rxn:4:222631:174567,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)nc(C(C)(C)C)c1,CAZHKZSYKYZWCE-UHFFFAOYSA-N
rxn:4:173514:222389,COc1ccc(COc2cc(OC)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2OC)cc1,MCNYGXCJDGDEMY-UHFFFAOYSA-N
rxn:4:173550:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC(F)(F)F)c3)c2)CC1,QRKCCEBSZOYGRF-UHFFFAOYSA-N
rxn:4:173578:222584,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1,GSISNQZUFSUWDU-UHFFFAOYSA-N
rxn:4:173579:222633,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)c1,CFUHYOHAKPOCOB-UHFFFAOYSA-N
rxn:4:173580:222394,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)c2)cc1,MYTFDCSMHSHQRX-QVYRIUEQSA-N
rxn:4:173580:224127,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)c2)cc1,USQUMFQTAKOXMS-UHFFFAOYSA-N
rxn:4:173600:222615,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OC(=O)CC)cc12,MDJMAIYTFSQEQN-UHFFFAOYSA-N
rxn:4:173623:222857,CCOC(=O)c1c(C)oc2cc(-c3cc(OC)cc(C4CCNCC4)c3)c(OCC=C(C)C)cc12,YUKWCSUJJHSWOT-UHFFFAOYSA-N
rxn:4:173642:222624,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,JRDRTPFRSFMAPR-UHFFFAOYSA-N
rxn:4:174443:222405,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3NC(=O)NC3=O)c2)cc1OC(F)(F)F,ZUQKTUBTEDAJKU-UHFFFAOYSA-N
rxn:4:174491:222537,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)OC1,OSLMGNRIRXQKKM-UHFFFAOYSA-N
rxn:4:174517:224126,CCCCCC1CCC(c2ccc(-c3cccc(C(C)N4CCN(CC)CC4)c3)cc2)CC1,HYJUAQOGWOEWII-UHFFFAOYSA-N
rxn:4:174613:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCc3ccc(C)cc3)cc12,YWZJSONVEBRAAC-UHFFFAOYSA-N
rxn:4:176112:222389,CC(C)(C)OC(=O)c1cc(-c2ccc(Cl)cc2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,ZOOQRRPWBAZVFW-UHFFFAOYSA-N
rxn:4:178154:224126,CCN1CCN(C(C)c2cccc(-c3c(F)c(F)c(COC4CCCCO4)c(F)c3F)c2)CC1,IHWZVGIQBRTULU-UHFFFAOYSA-N
rxn:4:183674:222389,O=C(CCSc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)c1cccc([N+](=O)[O-])c1,OPALGOAQBKLGME-UHFFFAOYSA-N
rxn:4:199596:224126,CCN1CCN(C(C)c2cccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCN(C)CC3)c2)CC1,DETGXBDJLABLQC-UHFFFAOYSA-N
rxn:4:200566:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3OCC)c(F)c2)CC1,REBAZALUBDFHMM-SOAUALDESA-N
rxn:4:200784:224120,CCN1CCN(Cc2ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)cc2Oc2ccccc2)CC1,JYNMYMRHGCZCMX-UHFFFAOYSA-N
rxn:4:200880:223664,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)cc3)CC2)CC1,XRZMTCIUTJFGBW-UHFFFAOYSA-N
rxn:4:200880:224114,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCCc4ccccc4)cc3)CC2)CC1,IDCOTOVEMQCEGA-UHFFFAOYSA-N
rxn:4:200880:224523,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(Cl)cc(OCc5ccccc5)c4)cc3)CC2)CC1,QNYULLIFYNHDDY-UHFFFAOYSA-N
rxn:4:200880:224533,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5Cl)cc4)cc3)CC2)CC1,FLRFHAIQJBTQBF-UHFFFAOYSA-N
rxn:4:201949:224177,COC(=O)c1ccc(-c2cc(Cl)c(OC(C)C)c(OCC(C)C)c2)cc1CN1CCN(C)CC1,WNHWMDANPBMFMR-UHFFFAOYSA-N
rxn:4:201988:224120,CCOc1c(CN2CCN(C)CC2)cccc1-c1ccc(CO[Si](C)(C)C(C)(C)C)c(C)c1,TVLLRYIYKWAEFQ-UHFFFAOYSA-N
rxn:4:202284:224969,COc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(C)c2)cc1CN1CCC(N2CCCC2)CC1,DMGHIWSAROWGPJ-UHFFFAOYSA-N
rxn:4:202306:225333,CCN1CCN(Cc2cc(-c3ccc(COCC(F)(F)F)c(F)c3)cc(C(C)(C)C)c2)CC1,ZZNOUXPJUDLEGH-UHFFFAOYSA-N
rxn:4:203807:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CC(=O)N4CCN(C)CC4)c3)cc2)CC1,VDSFIYHKIPYOCM-ALOJWSFFSA-N
rxn:4:204140:224160,CN1CCN(Cc2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)CC1,LGUBNRYVGXQVOP-UHFFFAOYSA-N
rxn:4:212559:222389,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,DBWRUNFTGIZPHW-UHFFFAOYSA-N
rxn:4:220545:222389,c1cc2c(s1)CCN(C1CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC1)C2,JUWQZPXBGLYODW-UHFFFAOYSA-N
rxn:4:221121:226103,CCCOc1c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,LZLKKJLYGOLOAP-UHFFFAOYSA-N
rxn:4:221407:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5ccc(N(C)C)nn5)CC4)cc3)c(F)c2)CC1,YZGCELAULFKKIX-FBSWEULCSA-N
rxn:4:222367:224424,CCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,UMSNLMZGFDWKBM-UHFFFAOYSA-N
rxn:4:222389:174429,CC(C)(C)OC(=O)C(C)(C)Oc1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,LHZYUBCLSUUFMM-UHFFFAOYSA-N
rxn:4:222389:174526,Cc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,ZMCCEEZCXNNCQL-UHFFFAOYSA-N
rxn:4:222389:213924,O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,GSODZQNOANSCDZ-UHFFFAOYSA-N
rxn:4:173531:222542,Cc1ccc(-c2cc(OCC(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCNCC1,KIMPDXBZVSMOOB-UHFFFAOYSA-N
rxn:4:173532:222389,CC(C)COc1ccc(C(=O)OC(C)(C)C)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OFOAMXSYWKGSLG-UHFFFAOYSA-N
rxn:4:173551:223894,CN1CCN(CCCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC(F)(F)F)c4)c3)c2)CC1,ANOBNFRCCHVSCU-UHFFFAOYSA-N
rxn:4:173579:223753,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1,KGQQKIMZMXMMHU-UHFFFAOYSA-N
rxn:4:173643:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)C(C)(C)C)cc(C2CCCNC2)n1,BHFFOVCNLZGRBF-UHFFFAOYSA-N
rxn:4:174490:224570,CC(c1ccc(-c2cccc(C(=O)CCCC3OCC(C)(C)CO3)c2)cc1)N1CCN(C)CC1,WDBBHJAGOPCTNN-UHFFFAOYSA-N
rxn:4:174567:222616,CC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,CKXVFTFIUDPECG-UHFFFAOYSA-N
rxn:4:183919:224125,CSc1ccc(Oc2ncc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2C(=O)OC(C)(C)C)cc1,QEUDYPKKFXQRRW-UHFFFAOYSA-N
rxn:4:184024:224126,CCN1CCN(C(C)c2cccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,QOBGRASCKUQUFO-UHFFFAOYSA-N
rxn:4:184140:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OCc3ccc([N+](=O)[O-])cc3)c2)CC1,ORXOZUMTRUSYHW-UHFFFAOYSA-N
rxn:4:194853:223753,Cc1ccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)cc1OCCCN1CCN(C)CC1,ZGGNIPAEAYFCQZ-UHFFFAOYSA-N
rxn:4:199710:224126,CCN1CCN(C(C)c2cccc(-c3ccc(COC4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2)CC1,DUJULKWEDWOWLE-UHFFFAOYSA-N
rxn:4:200880:222599,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)Nc5cccc(Cl)c5)c(F)c4)cc3)CC2)CC1,IUQMEJWKCKGMAX-UHFFFAOYSA-N
rxn:4:201132:223957,COc1ccc2cc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,WZDROEQRLAXMFL-UHFFFAOYSA-N
rxn:4:201132:226100,CCC(C)COc1ccc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)cc1,ZKWVEIJBHAIGBD-UHFFFAOYSA-N
rxn:4:201132:226861,COc1ccc2cc(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,CIQBYPKWBFSSKL-UHFFFAOYSA-N
rxn:4:201150:224066,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(-c5ccncc5)cc(C(C)(C)C)c4)ccc3C2)CC1,QTGYFHGBXMBILN-UHFFFAOYSA-N
rxn:4:201953:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(C(=O)OC)c3)cc2)CC1,JTZPUKBLVYNSGY-RQNOJGIXSA-N
rxn:4:202274:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)cc2)CC1,OLHUDJBBEZPWEN-XGVJSCJCSA-N
rxn:4:202284:223586,COc1ccc(COc2cc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc(C(F)(F)F)c2)cc1,HFVNGVAIBFMTSS-UHFFFAOYSA-N
rxn:4:202284:225276,CCCOc1cc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)ccc1C(F)(F)F,ZAHPVVQNRHSFIB-UHFFFAOYSA-N
rxn:4:204103:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)c(F)c2)CC1,XFAUHDVIRJCYLN-DIVCQZSQSA-N
rxn:4:213243:224259,O=C(CN1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc2)CC1)N1CCOCC1,LFIVFTONUKVGHZ-UHFFFAOYSA-N
rxn:4:213752:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CCC)CC4)cn3)cc2)CC1,YHIZZFSBTMFKMS-UHFFFAOYSA-N
rxn:4:214890:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSCC5)CC4)c3)cc2)CC1,CSROGWOEPPMWEM-DIVCQZSQSA-N
rxn:4:221111:224494,O=C(C1CC(=O)N(c2cccc(-c3ccc(CCOC4CCCCO4)cc3)c2)C1)N1CCN(CCn2ccnc2)CC1,ZDVVOEDBNICINH-UHFFFAOYSA-N
rxn:4:222126:224703,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCCC4)cc(C(F)(F)F)c3)cc2)CC1,OISVAMCMUITKTN-UHFFFAOYSA-N
rxn:4:222126:225452,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OC4C=CCCC4)cc3)cc2)CC1,XBTIZRPJOYCHNB-UHFFFAOYSA-N
rxn:4:222389:176121,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(-c2cccc(F)c2F)c1,OYVBBSLLQFOEAR-UHFFFAOYSA-N
rxn:4:222622:199640,CCC(C)c1cc(-c2ccc(OCCCN3CCN(CC)CC3)cc2)cc(C2CCCNC2)n1,JYIWISLGABXRGE-UHFFFAOYSA-N
rxn:4:173410:222389,CCOC(Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)OCC,DPBCEZWLSCOLDD-UHFFFAOYSA-N
rxn:4:173508:224126,CCN1CCN(C(C)c2cccc(-c3ccc(OCCOC4CCCCO4)c(OC)c3)c2)CC1,IVOXRLRLSFILOG-UHFFFAOYSA-N
rxn:4:173572:222540,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,DTUHYBOQCFKSKO-UHFFFAOYSA-N
rxn:4:173574:222389,CC1(C)COC(CCCCC(=O)c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)OC1,CJHKFUVFSTWCBC-UHFFFAOYSA-N
rxn:4:173616:223893,CCN1CCN(CCOc2cccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)c3ccco3)c2)CC1,QSIKPPPSPHEEGV-UHFFFAOYSA-N
rxn:4:173622:222630,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3F)cc12,GXXCZSPKKZSDHP-UHFFFAOYSA-N
rxn:4:173641:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,AJBTWFNHLNSPAA-UHFFFAOYSA-N
rxn:4:173641:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)C(C)C)c2)CC1,MCTQDXABVNMSLH-UHFFFAOYSA-N
rxn:4:173665:222615,COC(=O)Cc1c(C)c2ccc(OCc3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3F)cc2oc1=O,BXZKCSUEUZOOKQ-UHFFFAOYSA-N
rxn:4:174008:222538,CCOC(=O)C(F)(F)c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c(OC)c1,LCNMCPPLDDAGTC-UHFFFAOYSA-N
rxn:4:174404:222616,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)c1,LIJBWUDKOSMHED-UHFFFAOYSA-N
rxn:4:174499:223894,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c(F)c1,BZKKELAKMICGFQ-UHFFFAOYSA-N
rxn:4:176161:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C)c2)cc1OCCCN1CCN(C)CC1,LGYFSDQURUWICG-UHFFFAOYSA-N
rxn:4:178597:222729,CCCc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)n1,RXABKSDDRQELSQ-UHFFFAOYSA-N
rxn:4:199596:224667,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2ccc(Cl)c(CN3CCN(C)CC3)c2)CC1,DQWLJUIJIQZMGN-UHFFFAOYSA-N
rxn:4:199705:224853,CCN1CCN(CCCOc2cc(-c3ccc(C4CCC(C)(C)CC4)cc3)ccc2C)CC1,DECZZGJLOGWWTI-UHFFFAOYSA-N
rxn:4:200354:222389,CCN(C)c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)n1,IVEXVWDGHZMHRF-UHFFFAOYSA-N
rxn:4:200811:224424,CCCC1CCC(c2ccc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,QCOGGRRZAFAQBW-UHFFFAOYSA-N
rxn:4:200880:223798,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5cccc(C(F)(F)F)c5)cc4)cc3)CC2)CC1,QZMWJYWZILQDDV-UHFFFAOYSA-N
rxn:4:200880:223962,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(F)ccc(OCc5ccccc5F)c4F)cc3)CC2)CC1,IKTLHVYFBJTSNY-UHFFFAOYSA-N
rxn:4:200880:224105,COc1ccc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)cc1OCc1ccccc1,FAXGMEMFGDACLT-UHFFFAOYSA-N
rxn:4:201132:226096,COc1ccc2cc(-c3cccc(OCCC(C)C)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,LVOQKIDSHSILQZ-UHFFFAOYSA-N
rxn:4:201963:224193,CCN1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3CN3CCN(CC)CC3)ccc2F)CC1,DUQQCLLZEWXMRX-UHFFFAOYSA-N
rxn:4:201987:224120,CCN1CCN(Cc2cccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)c2OC)CC1,VFYANDWGXFTWMQ-UHFFFAOYSA-N
rxn:4:202198:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCOC(C(=O)N5CCSCC5)C4)c3)cc2)CC1,BZKBTQQHQGLXPG-UHFFFAOYSA-N
rxn:4:202341:226264,CCCCOc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c(F)c1,YIPPLOAKSJZFLK-UHFFFAOYSA-N
rxn:4:203993:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3)cc2)CC1,QAPLTJXUFHQAFB-UHFFFAOYSA-N
rxn:4:204092:224176,Cc1cc(-c2ccc(OCCSC3CCOCC3)cc2)ccc1CN1CCC(N(C)C)CC1,JOIQWEMGDSWZTH-UHFFFAOYSA-N
rxn:4:204092:225114,Cc1cc(-c2csc(CO[Si](C)(C)C(C)(C)C)c2)ccc1CN1CCC(N(C)C)CC1,FGNDWBSBYCJYBG-UHFFFAOYSA-N
rxn:4:212751:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,PMIYQPCNSIYXKF-IVCFNLRISA-N
rxn:4:212751:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,PMIYQPCNSIYXKF-UHFFFAOYSA-N
rxn:4:214079:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)cc2)CC1,TUHMSBKWQWUNJA-WXUXXXNLSA-N
rxn:4:222623:187420,CCC(C)c1cc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C)cc(C2CCNCC2)n1,CJDRFHSHCKNHEP-UHFFFAOYSA-N
rxn:4:173435:224126,CCN1CCN(C(C)c2cccc(-c3c(OC)cc(C(=O)OC)cc3OCC3CC3)c2)CC1,LJFYJETXFRENPF-UHFFFAOYSA-N
rxn:4:173442:224126,CCOC(=O)C(C)(C)COc1ccc(-c2cccc(C(C)N3CCN(CC)CC3)c2)cc1,CVSHBIJJVAOIQV-UHFFFAOYSA-N
rxn:4:173554:222389,CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,UHCWQXPMZFRQLW-UHFFFAOYSA-N
rxn:4:173575:222465,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)OC1,VKQSUCDZFDIWCF-UHFFFAOYSA-N
rxn:4:173579:224170,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)c2)c1,BOHRDKLMKPPWDN-UHFFFAOYSA-N
rxn:4:174491:222405,CC1(C)COC(CCCC(=O)c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2)OC1,FTVNTDSIXNEHPR-UHFFFAOYSA-N
rxn:4:184845:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CC(=O)ON4C(=O)CCC4=O)ccc3OC)c(F)c2)CC1,VZPCGSIKTPIHSV-AQYVVDRMSA-N
rxn:4:187655:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCCC4)cc(C(C)(C)C)c3)cc2)CC1,DDAGPCPHDGMBQZ-FBSWEULCSA-N
rxn:4:193738:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc([C@H](C)N4CCC(=O)CC4)c3)cc2)CC1,FUIKJJXLTMNVGD-SDHOMARFSA-N
rxn:4:200517:222389,c1cc(-c2cnn(CCOC3CCCCO3)c2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,RTBIXUWEGNALKF-UHFFFAOYSA-N
rxn:4:200880:224846,CCC1CCC(c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)CC1,PVHDQUYZMZCTKJ-UHFFFAOYSA-N
rxn:4:200880:225513,COc1ccc2cc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)ccc2c1Cl,YVXYSHMWYXHTGU-UHFFFAOYSA-N
rxn:4:200884:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)cc2)CC1,JUYOIZAVGJSVPK-UHFFFAOYSA-N
rxn:4:201132:223559,COc1ccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2c1CC(=O)N(C)C1CCN(C)CC1,OHTZAOMKTXGZJR-UHFFFAOYSA-N
rxn:4:201132:223888,COc1ccc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2c1CC(=O)N(C)C1CCN(C)CC1,AENKMMNZAJGBFK-UHFFFAOYSA-N
rxn:4:201132:224734,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3OCC3CC3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,ZOUVLYMUJVFPPU-UHFFFAOYSA-N
rxn:4:201779:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,YJMPCJSRVCOVJM-YHBQERECSA-N
rxn:4:201843:224196,CCN1CCN(Cc2cc(F)cc(-c3cc([N+](=O)[O-])cc(F)c3OCC3CCN(C)CC3)c2)CC1,ZSGVHKZOAHNTIM-UHFFFAOYSA-N
rxn:4:202161:224494,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CCOC2CCCCO2)cc1,AXMOTOOBUOWFNS-UHFFFAOYSA-N
rxn:4:202266:224853,CC1(C)CCC(c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCCC5)C4)cc3)cc2)CC1,KOKFJNSIYMRAMR-UHFFFAOYSA-N
rxn:4:204070:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)cc2C)c1,USTVGBNTOQCZBH-UHFFFAOYSA-N
rxn:4:212745:224259,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,RAMOAXPDEMOWBU-UHFFFAOYSA-N
rxn:4:212839:224259,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)ccn23)CC1,HFHUTGGDGIHNDI-UHFFFAOYSA-N
rxn:4:213054:222389,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)C2)nn1,HOUBHAZGPYEMLL-UHFFFAOYSA-N
rxn:4:213243:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1,HBTXOUYWMYAGBC-UHFFFAOYSA-N
rxn:4:213243:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c(F)c2)CC1,UFHFSAABRJYMHW-DUYHBEBVSA-N
rxn:4:213243:225451,O=C(CN1CCN(Cc2ccc(-c3ccc(SC4CCCCC4)cc3)cc2)CC1)N1CCOCC1,CFTONDUSKXNAKP-UHFFFAOYSA-N
rxn:4:215149:223753,Cc1ccc(-c2ccc3ccn(CCN4CCN(C)CC4)c3c2)cc1OCCCN1CCN(C)CC1,KLGHCYVUTLOVHN-UHFFFAOYSA-N
rxn:4:218775:224846,CCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCCCC5)CC4)c3)cc2)CC1,ZBHAPSXZRMEPQY-UHFFFAOYSA-N
rxn:4:219077:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc(OC)c(F)c6)CC5)[nH]n4)cc3)cc2)CC1,QWQAQVMZIIGVLH-MCZWQBSQSA-N
rxn:4:219440:223892,CN1CCN(CCCOc2ccc(-c3ccccc3CN3CCN(c4nccc(C(F)(F)F)n4)CC3)cc2)CC1,PRKOKGPWBCJDNA-UHFFFAOYSA-N
rxn:4:173508:222631,COc1cc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)ccc1OCCOC1CCCCO1,JZCYXIWOSRRLEE-UHFFFAOYSA-N
rxn:4:173552:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OC(F)(F)F)cc3)c2)cc1OCCCN1CCN(C)CC1,DIRHWSUSFNRWFV-UHFFFAOYSA-N
rxn:4:173579:224179,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)cc3)c2)c1,NWZJOOZAKTXIAR-UHFFFAOYSA-N
rxn:4:173640:224126,CCOC(=O)c1c(C)oc2cc(-c3cccc(C(C)N4CCN(CC)CC4)c3)c(OCc3c(F)c(F)c(F)c(F)c3F)cc12,FNJGJVCDTBWKKH-UHFFFAOYSA-N
rxn:4:173871:224126,CCN1CCN(C(C)c2cccc(-c3ccc(OCC(F)(F)C(F)F)cc3OC)c2)CC1,MNXJNGHDOUJFKE-UHFFFAOYSA-N
rxn:4:174500:223753,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c1,WFSBVTHJQJOPCI-UHFFFAOYSA-N
rxn:4:176165:223892,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1,UBCYPDXTIWGUOS-UHFFFAOYSA-N
rxn:4:182108:222389,c1cc(C2CCCCCCC2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,GTVFSPFUYKEALW-UHFFFAOYSA-N
rxn:4:183800:222389,CN(Cc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C,MVWVCJMPFOFFSQ-UHFFFAOYSA-N
rxn:4:187492:223753,Cc1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1OCCCN1CCN(C)CC1,YREDPKMYJMWXHW-UHFFFAOYSA-N
rxn:4:187676:225447,CN(Cc1cc(-c2ccc(OC3CCCCC3)cc2)cc(C(C)(C)C)c1)C1CCOCC1,UIMOYFDQANHGDK-UHFFFAOYSA-N
rxn:4:191106:223753,Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)OC(C)(C)C)cc1OCCCN1CCN(C)CC1,GLXBUDGFVTXFAN-UHFFFAOYSA-N
rxn:4:200880:223549,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5c(C(C)C)cccc5C(C)C)cc4)cc3)CC2)CC1,OBSAKYNEDSKFFJ-UHFFFAOYSA-N
rxn:4:200880:224444,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(C)c4)cc3)CC2)CC1,UXGPXRBCBFEWLP-UHFFFAOYSA-N
rxn:4:200880:224454,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5C)cc4)cc3)CC2)CC1,DENYIRFQJOIXDI-UHFFFAOYSA-N
rxn:4:200882:223909,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(C(=O)OCc4ccccc4)c(F)c3)c1)C2,FRCHEMPMZQMXKK-UHFFFAOYSA-N
rxn:4:202284:223888,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1CN1CCC(N2CCCC2)CC1,PHSWUODCKFHNIS-UHFFFAOYSA-N
rxn:4:202341:222845,CC(C)N1CCN(Cc2cc(-c3ccc(C(C)N4CCNCC4)cc3)cc(C(C)(C)C)c2)CC1,JBARKQAIXFTFFK-UHFFFAOYSA-N
rxn:4:204100:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)c(F)c2)CC1,ZQKIRHGMLXDEIG-DIVCQZSQSA-N
rxn:4:204150:223753,Cc1ccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1OCCCN1CCN(C)CC1,JVMZVKNTIDASGB-UHFFFAOYSA-N
rxn:4:212751:226521,COc1cc(OC)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(OC)c1,JTGDMPLOMFREQI-UHFFFAOYSA-N
rxn:4:213425:222628,O=C(CCn1ccc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc21)N1CCC(c2noc3cc(F)ccc23)CC1,YMCJFEISKGLMAY-UHFFFAOYSA-N
rxn:4:214078:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)cc2)CC1,QNIVTYABBGHKFQ-WXUXXXNLSA-N
rxn:4:218920:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5ncc(OC)cn5)CC4)c3)cc2)CC1,KDHGAXBSDUNUJO-SOAUALDESA-N
rxn:4:219569:224061,CCCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)c(F)c2)CC1,FUJMDBIODHDJPW-UHFFFAOYSA-N
rxn:4:221121:224259,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)ccc43)CC2)CC1,XAIXKEAVBYQNNR-UHFFFAOYSA-N
rxn:4:221986:224849,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCCC4)cc(C4CC4)c3)cc2)CC1,QWWPYAUSZRVYOR-UHFFFAOYSA-N
rxn:4:222389:187025,N#Cc1ccc(Oc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(C3OCCO3)c2)cc1,HNZPOKCDZTXSFC-UHFFFAOYSA-N
rxn:4:222542:199422,Cc1ccc(-c2ccc3c(c2)C(=C2CCN(C)CC2)c2ccccc2S3)cc1OCCCN1CCNCC1,BAACKQAKSHVQQH-UHFFFAOYSA-N
rxn:4:222631:178597,CC1(C)OC2OC(C(=O)Oc3ccc(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cc3)C3OC(C)(C)OC3C2O1,SJAZTONXCBNDAO-UHFFFAOYSA-N
rxn:4:173578:222542,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C)c(OCCCN3CCNCC3)c2)c1,HHTJGZGGSHWQPX-UHFFFAOYSA-N
rxn:4:173579:224178,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCN4CCN(C)CC4)c3)c2)c1,HRIWGIYHGMOVMN-UHFFFAOYSA-N
rxn:4:173643:222730,CCCc1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)C(C)(C)C)cc(C2CCNCC2)n1,VXPYWPGHSDFJAV-UHFFFAOYSA-N
rxn:4:174482:224126,CCN1CCN(C(C)c2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(C(F)(F)F)cc4)c3)c2)CC1,ZQFXFNRXOWQGEE-UHFFFAOYSA-N
rxn:4:174495:222466,COc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,RFAYLETVSDJFFE-UHFFFAOYSA-N
rxn:4:176110:222389,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(-c2ccccc2Cl)c1,VZZQLDYUKJUQIN-UHFFFAOYSA-N
rxn:4:176253:223753,CCCc1c(OC)c(OC)cc2cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c(C)cc12,XBGIHJLPBYTJEL-UHFFFAOYSA-N
rxn:4:184170:223892,CN1CCN(CCCOc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccc(OCc5ccccc5)cc34)cc2)CC1,RKIYWRAUUKOOLX-UHFFFAOYSA-N
rxn:4:184274:222845,CC(c1ccc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)cc2C#N)cc1)N1CCNCC1,SWYXMKCFMNBBEX-UHFFFAOYSA-N
rxn:4:184407:222634,COC(=O)Cc1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(C#N)cc1C(F)F,JMWDBLCYCGMHGE-UHFFFAOYSA-N
rxn:4:187676:225451,CN(Cc1cc(-c2ccc(SC3CCCCC3)cc2)cc(C(C)(C)C)c1)C1CCOCC1,ZEDHBMJRWIPTTD-UHFFFAOYSA-N
rxn:4:200880:224053,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(OCc5ccccc5)c(C)c4)cc3)CC2)CC1,NDWDQJMXPRZWLX-UHFFFAOYSA-N
rxn:4:200880:226062,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C(C)C)cc(C(C)C)c4)cc3)CC2)CC1,GXBPNEVVRCJSQD-UHFFFAOYSA-N
rxn:4:201132:223667,COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3OCc3ccccc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,MGTXVNYKYXDMSE-UHFFFAOYSA-N
rxn:4:201132:223801,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,BCVVIZLLWLNYMF-UHFFFAOYSA-N
rxn:4:201132:226151,COc1ccc2cc(-c3cc(C)c(C)cc3OC(C)C)ccc2c1CC(=O)N(C)C1CCN(C)CC1,OLIGPKKZLIXGNS-UHFFFAOYSA-N
rxn:4:201963:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(F)(F)F)cc3CN3CCN(CC)CC3)c2)CC1,WDQNXSJBMLXONI-UHFFFAOYSA-N
rxn:4:202312:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c3)cc2)CC1,CTKBTQCAPSCFRX-KWQFAZJVSA-N
rxn:4:202312:224115,COc1cc(OCc2ccccc2)ccc1-c1cccc(CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,XVFCUMHSQQRNMR-UHFFFAOYSA-N
rxn:4:204091:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,SMEWOHULBUHTBG-DUYHBEBVSA-N
rxn:4:204091:224736,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(F)(F)F)cc1OCC(C)C,VQKQTHXRUUIZAK-UHFFFAOYSA-N
rxn:4:207057:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c(F)c2)CC1,BPBJTXFBCFGLQY-HZCBDIJESA-N
rxn:4:212616:222389,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,WRUANJNROUZTCF-UHFFFAOYSA-N
rxn:4:213062:224424,CCCC1CCC(c2ccc(-c3cnc(OC4CCN(C(=O)Cc5ccc(F)cc5F)CC4)nc3)cc2)CC1,FLYCDLJYJMEJPJ-UHFFFAOYSA-N
rxn:4:214079:223846,Cc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCC3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,CTRFSFPCVNDHFI-UHFFFAOYSA-N
rxn:4:215985:225451,CN1CCN(C2CC(=O)N(c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)C2=O)CC1,IIYITLPQKIQFGX-UHFFFAOYSA-N
rxn:4:221121:225451,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(SC6CCCCC6)cc5)ccc43)CC2)CC1,DGDSAPDYAXXFDS-UHFFFAOYSA-N
rxn:4:221185:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(c5nc(C)cc(C)c5C#N)CC4)nc3)cc2)CC1,QEPRMLJRCNHTFU-KWQFAZJVSA-N
rxn:4:221428:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)cc3)cc2)CC1,TZSYQLKJMNGMJG-OZIXAUCHSA-N
rxn:4:221986:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(Cn2c(CN3CCN(CC)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,KWHAKNLWTOYEQM-UHFFFAOYSA-N
rxn:4:222367:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,ARQHEYLNSIAIJK-CGZQIQLYSA-N
rxn:4:222389:185181,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cnc1CO[Si](C)(C)C(C)(C)C,AQZIKKKRWPCZIO-UHFFFAOYSA-N
rxn:4:222623:199715,CCC(C)c1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc(C2CCNCC2)n1,CDMQYBNFTXQYNC-UHFFFAOYSA-N
rxn:4:173547:223786,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cc2Cl)CC1,IFVZHSDWBIGAMG-UHFFFAOYSA-N
rxn:4:173578:224126,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C(C)N3CCN(CC)CC3)c2)c1,AXSORXHRFPWLNM-UHFFFAOYSA-N
rxn:4:173641:222537,Cc1oc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,RFZUHVYBLZLGFT-UHFFFAOYSA-N
rxn:4:174587:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCc3ccccc3Cl)cc12,CTJZSICFXQOVDD-UHFFFAOYSA-N
rxn:4:182375:224126,CCN1CCN(C(C)c2cccc(-c3ccc4c(c3)C(=O)CC(C3COCC(C)(C)C3)O4)c2)CC1,CKWKUYHKXSITLQ-UHFFFAOYSA-N
rxn:4:200880:223673,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(COc5cc(C(F)(F)F)ccc5Cl)c4)cc3)CC2)CC1,LSARRVYKRVNZOL-UHFFFAOYSA-N
rxn:4:201132:226452,COc1ccc2cc(-c3ccc(C4OCCCO4)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,IWMRGLPVFCQIQW-UHFFFAOYSA-N
rxn:4:202246:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3F)cc2)CC1,GPHCISNFRYHTHS-UHFFFAOYSA-N
rxn:4:202284:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)cc2)CC1,ZJHIIACPDCYWMP-QVYRIUEQSA-N
rxn:4:203824:222521,CCN1CCN(C(=O)c2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c(F)c2)CC1,WSCLSLYBNYIYNK-UHFFFAOYSA-N
rxn:4:213243:224053,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(C)c1OCc1ccccc1,MOEVUGXBWUKKFA-UHFFFAOYSA-N
rxn:4:213243:225427,CCCCOc1c(C)cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1C,HDUNTPDTIACDSD-UHFFFAOYSA-N
rxn:4:221121:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,FDSQQDILXCBGBS-UHFFFAOYSA-N
rxn:4:221121:223965,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6cccc(C(F)(F)F)c6)cc5)ccc43)CC2)CC1,IOTDRMLQQJWEPN-UHFFFAOYSA-N
rxn:4:221121:224261,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cccc(C(F)(F)F)c6)cc5)ccc43)CC2)CC1,DTBUEESTXLLHME-UHFFFAOYSA-N
rxn:4:221121:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,PEEKGFKPZBJYSV-UHFFFAOYSA-N
rxn:4:221121:224419,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc43)CC2)CC1,BVQHDDUIPIGEEW-UHFFFAOYSA-N
rxn:4:221121:224440,Cc1cc(OCc2ccccc2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HNUZGVDDFFCOQM-UHFFFAOYSA-N
rxn:4:221121:224560,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(SCc6cccc(F)c6)cc5)ccc43)CC2)CC1,SDGHMWXQTDNREL-UHFFFAOYSA-N
rxn:4:221121:224600,Cc1ccc(-c2cc(F)c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)cc1,PGIMKSYNQAJGDW-UHFFFAOYSA-N
rxn:4:221121:225045,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccc(Cl)cc6)c5)ccc43)CC2)CC1,PFHFXGOIICOJLN-UHFFFAOYSA-N
rxn:4:221121:225418,CCOc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1,HTZTWVILHGZHEL-UHFFFAOYSA-N
rxn:4:221121:225480,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc43)CC2)CC1,WWTYDQBOZOZATJ-UHFFFAOYSA-N
rxn:4:221121:225483,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,KEZLGSRAFVYKSU-UHFFFAOYSA-N
rxn:4:221121:225484,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc(Cl)cc6)c5)ccc43)CC2)CC1,MWXBNUSSSQDHAG-UHFFFAOYSA-N
rxn:4:221121:226082,COc1ccc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2c1,HLMCDRDTFWVEJA-UHFFFAOYSA-N
rxn:4:221121:226227,COCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,LQJBAYVFGFOIQS-UHFFFAOYSA-N
rxn:4:221121:226294,COc1cc(OC(C)C)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,GGLZSWDGQZCLPE-UHFFFAOYSA-N
rxn:4:221121:226997,CCCOc1cc(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,OOYSBYAJQRNLSD-UHFFFAOYSA-N
rxn:4:221994:225451,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(SC6CCCCC6)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,ZOCGINLUXMZLHB-UHFFFAOYSA-N
rxn:4:173366:222466,CCOC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c(C(=O)OCC)c1,WVHRCXHHRACUCL-UHFFFAOYSA-N
rxn:4:173515:222389,CC(C)Oc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1C(=O)OCc1ccccc1,ZFNOGUFMFWASRV-UHFFFAOYSA-N
rxn:4:173675:222741,Cc1oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,QBGLKHJVDBJDSR-UHFFFAOYSA-N
rxn:4:176158:224126,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(C)N4CCN(CC)CC4)c3)cc2)CC1,HJCWKUVTYQVDII-FJUZFHEGSA-N
rxn:4:176161:223786,Cc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)c1,VSKCPNYDTRPVID-UHFFFAOYSA-N
rxn:4:180505:223893,CCN1CCN(CCOc2cccc(-c3cc(C4CC4)cc(C4CCCCO4)c3)c2)CC1,JOJQZZIHCCSLIS-UHFFFAOYSA-N
rxn:4:184100:222888,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CN3CCNCC3)c(Cl)c2)c1,JQOYGTRJUUQRIV-UHFFFAOYSA-N
rxn:4:185201:222616,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,CTEXAQAOEBSHJI-UHFFFAOYSA-N
rxn:4:187916:224423,CCC[C@H]1CC[C@H](c2ccc(-c3c(OC)cc(OC)c(C45CCN(C)CC4O5)c3OC)cc2)CC1,PGHWLRHZLDNMGW-SLSDJSMHSA-N
rxn:4:199577:223753,Cc1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCN(C)CC2)cc1OCCCN1CCN(C)CC1,KELVWEJKMLBSAR-UHFFFAOYSA-N
rxn:4:200880:224102,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(C(=O)OCc5ccccc5)c4)cc3)CC2)CC1,IWWCBMFBEDWCNX-UHFFFAOYSA-N
rxn:4:201132:225545,COc1ccc2cc(-c3ccccc3C(=O)OCC(C)C)ccc2c1CC(=O)N(C)C1CCN(C)CC1,HHMHDGIXXAFHBK-UHFFFAOYSA-N
rxn:4:201132:226094,COc1ccc2cc(-c3ccc(OCCC(C)C)cc3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,DLAWOODCRAMLLP-UHFFFAOYSA-N
rxn:4:212745:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLQYWUPYFMCYLT-HBPRZLDLSA-N
rxn:4:213243:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1,DESKBTOIDTVZHT-UHFFFAOYSA-N
rxn:4:213243:224151,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(Cl)c1OCc1ccccc1,IRFHEGAEOUICFH-UHFFFAOYSA-N
rxn:4:214851:225451,O=C(c1cncc(-c2ccc(SC3CCCCC3)cc2)c1)N1CCCN(C2CCC2)CC1,KDNNDOSUCKZBOM-UHFFFAOYSA-N
rxn:4:221111:224259,O=C(C1CC(=O)N(c2cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)C1)N1CCN(CCn2ccnc2)CC1,WDBUYIUTTQJPSZ-UHFFFAOYSA-N
rxn:4:221121:223474,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)ccc43)CC2)CC1,NDBOUAQARUPQOF-UHFFFAOYSA-N
rxn:4:221121:223664,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6ccc(OC(F)(F)F)cc6)cc5)ccc43)CC2)CC1,NFYKDHIBJDSALK-UHFFFAOYSA-N
rxn:4:221121:224234,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCc6ccccc6)c(F)cc5F)ccc43)CC2)CC1,VOMJQAZLAPATEF-UHFFFAOYSA-N
rxn:4:221121:224241,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6cccc(F)c6F)cc5)ccc43)CC2)CC1,CEMBYKRVAJYZJE-UHFFFAOYSA-N
rxn:4:221121:224354,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(Oc6cccc(F)c6)c(F)c5)ccc43)CC2)CC1,RLWWHWBMHUSPSL-UHFFFAOYSA-N
rxn:4:221121:224434,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COCc6ccccc6)cc5)ccc43)CC2)CC1,SWFIUNPFKKCAJK-UHFFFAOYSA-N
rxn:4:221121:225479,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)c(F)c5)ccc43)CC2)CC1,MULUVXNSIIQBRR-UHFFFAOYSA-N
rxn:4:221121:225493,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cccc(Cl)c6)c5)ccc43)CC2)CC1,VCUBDGGNLOCHKC-UHFFFAOYSA-N
rxn:4:221121:225513,COc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1Cl,IVHWZXNIHUQUFK-UHFFFAOYSA-N
rxn:4:221121:226915,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCC6)cc5)ccc43)CC2)CC1,NSJYOTHAAMDZDB-UHFFFAOYSA-N
rxn:4:221121:226986,CCCCSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,PSJDROSKSTUXKR-UHFFFAOYSA-N
rxn:4:221539:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,STFCUCZGTSXFEO-CMPDTXHFSA-N
rxn:4:222389:185739,O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,VEDIDVBOSDKWJT-UHFFFAOYSA-N
rxn:5:190308:227712:223145,CC1CCCN(CCc2cc(-c3ccc(OC(F)F)c(F)c3)ccc2-c2ccc(C3CCC(=O)N3)cc2)C1,JXWMRKFQGGZJQB-UHFFFAOYSA-N
rxn:4:173572:222743,CC(c1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1)N1CCC(O)CC1,VGSOQYGMHKJUPE-UHFFFAOYSA-N
rxn:4:173600:222730,CCCc1cc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)CC)cc(C2CCNCC2)n1,JGJJKZCGVFAEGL-UHFFFAOYSA-N
rxn:4:173641:222742,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,RTDOVYLXPFSPCF-UHFFFAOYSA-N
rxn:4:173675:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)C(C)(C)C)c2)CC1,NGNSEIGVKNAVJB-UHFFFAOYSA-N
rxn:4:174498:223893,CCN1CCN(CCOc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4F)c3)c2)CC1,RCAPQOOHNINUBL-UHFFFAOYSA-N
rxn:4:174555:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc12,NBKSKZONBKABNQ-UHFFFAOYSA-N
rxn:4:176119:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)cc3F)c2)cc1OCCCN1CCNCC1,YKDKQEDEVILACQ-UHFFFAOYSA-N
rxn:4:201132:225766,CCCOc1c(F)cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)c(C)c1F,CVTHMHOKLYLXRC-UHFFFAOYSA-N
rxn:4:202284:222647,COc1ccc(-c2cc(C)c(NC(=O)OC(C)(C)C)cc2C)cc1CN1CCC(N2CCCC2)CC1,JBUSJZIDTZCYRS-UHFFFAOYSA-N
rxn:4:203934:224424,CCCC1CCC(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,NKWAQKOUKVKSSC-UHFFFAOYSA-N
rxn:4:213243:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1,SUWQWWPYLRPHGG-UHFFFAOYSA-N
rxn:4:221121:223487,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,WDLAIFUJVVUKBA-UHFFFAOYSA-N
rxn:4:221121:224298,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Sc6ccc([N+](=O)[O-])cc6)cc5)ccc43)CC2)CC1,DMYZFMMOOPFAIF-UHFFFAOYSA-N
rxn:4:221121:224537,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6F)cc5)ccc43)CC2)CC1,ADFNSVDKFBXLNG-UHFFFAOYSA-N
rxn:4:221121:224850,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(/C=C/c6ccccc6)cc5)ccc43)CC2)CC1,RUPSVPMCXLOJHE-BQYQJAHWSA-N
rxn:4:221121:224852,Cc1cc(C)cc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)c1,HNHTWFLTGICMKO-UHFFFAOYSA-N
rxn:4:221121:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,JYHNDJANNLHABF-UHFFFAOYSA-N
rxn:4:221121:225293,CC(C)Oc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C(F)(F)F,WMNUICYPAWNENC-UHFFFAOYSA-N
rxn:4:221121:225396,Cc1ccccc1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,JYTWCAXHUGWMAP-UHFFFAOYSA-N
rxn:4:221121:225404,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1-c1ccccc1,FNQPBQLIUCJNAF-UHFFFAOYSA-N
rxn:4:221121:225485,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)c(Cl)c5)ccc43)CC2)CC1,FOYJVFJZXBAIQA-UHFFFAOYSA-N
rxn:4:221121:225486,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(F)c(-c6ccccc6)c5)ccc43)CC2)CC1,CAEIIUGSNAQSDG-UHFFFAOYSA-N
rxn:4:221121:225609,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccccn6)c5)ccc43)CC2)CC1,OPODGBZUNZTKPO-UHFFFAOYSA-N
rxn:4:221121:225629,COc1ccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,QHYFENJVNJLWBJ-UHFFFAOYSA-N
rxn:4:221121:225703,COC(=O)c1cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2s1,PRCFDCJXKRPGRC-UHFFFAOYSA-N
rxn:4:221121:226259,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,WPJRKKKYBXVPAP-UHFFFAOYSA-N
rxn:4:221121:227810,CCC(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,BJFSJMQXGBTUGO-UHFFFAOYSA-N
rxn:4:221121:228971,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5csc(C(F)(F)F)c5)ccc43)CC2)CC1,SOJQZYFEVYGFFM-UHFFFAOYSA-N
rxn:4:222742:174491,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)OC1,ZMTCNGZWDCAHIJ-UHFFFAOYSA-N
rxn:4:173579:223893,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCN4CCN(CC)CC4)c3)c2)c1,QODNNRXQYSFUNW-UHFFFAOYSA-N
rxn:4:174491:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)CCCC4OCC(C)(C)CO4)cc3)cc2)CC1,VMZWBAUIISSXNB-UHFFFAOYSA-N
rxn:4:174497:222542,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)cc1,NEYMWSNDZSUJBT-UHFFFAOYSA-N
rxn:4:176133:223753,Cc1ccc(-c2cc(OC(C)(C)C)cc(OC(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,WOEUYBMNUSVYRY-UHFFFAOYSA-N
rxn:4:200606:224424,CCCC1CCC(c2ccc(-c3cc(OC)c(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,HZEDTRGDDUFPGG-UHFFFAOYSA-N
rxn:4:200699:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C(=O)OC)cc3CN3CCN(C(C)C)CC3)c2)CC1,WNFAYWKUPRPGQT-UHFFFAOYSA-N
rxn:4:202284:226239,CCCOC(=O)c1ccc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)cc1,PPIOYNWJJLSQPY-UHFFFAOYSA-N
rxn:4:204091:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,SWDJGIPLHNQIJA-YOCNBXQISA-N
rxn:4:204131:225451,c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CN1CCC(N2CCOCC2)CC1,NABZBOMIWQOFSY-UHFFFAOYSA-N
rxn:4:207039:223847,CCCCCC1CCC(c2ccc(-c3cccc(C(C)N4CCN(C)CC4)c3)cc2)CC1,QRKBCKPVZCLMNN-UHFFFAOYSA-N
rxn:4:213243:223878,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(C)c1OCc1ccc(Cl)cc1,IWWSUSFCHAXJDG-UHFFFAOYSA-N
rxn:4:214082:224053,Cc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)cc(C)c1OCc1ccccc1,ZFCCFBRFEULDEB-UHFFFAOYSA-N
rxn:4:214889:225451,CN1CCN(Cc2ccc(-c3ccc(SC4CCCCC4)cc3)cc2N2CCCC2)CC1,LJABUVASGKRXGP-UHFFFAOYSA-N
rxn:4:221121:223512,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(Cc6ccccc6)Cc6ccccc6)cc5)ccc43)CC2)CC1,VSBGUTOSNUFGNY-UHFFFAOYSA-N
rxn:4:221121:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2C)c1,BRSIDYOFPJEPIV-UHFFFAOYSA-N
rxn:4:221121:223964,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(C(F)(F)F)cc6)cc5)ccc43)CC2)CC1,CTECVWGKHCSVMB-UHFFFAOYSA-N
rxn:4:221121:224001,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6ccc(C(F)(F)F)cc6)c(Cl)c5)ccc43)CC2)CC1,FAWVLCYUBOVVON-UHFFFAOYSA-N
rxn:4:221121:224262,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)c(C(F)(F)F)c5)ccc43)CC2)CC1,XFNYJRYACDZSEW-UHFFFAOYSA-N
rxn:4:221121:224263,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)cc5C(F)(F)F)ccc43)CC2)CC1,FJYARRQFKDBFHM-UHFFFAOYSA-N
rxn:4:221121:224296,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc([N+](=O)[O-])cc6)cc5)ccc43)CC2)CC1,UNRYUOOHZMCLCI-UHFFFAOYSA-N
rxn:4:221121:225031,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,RNQWNCJXKCWZKP-UHFFFAOYSA-N
rxn:4:221121:225392,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Cc6ccccc6)c5)ccc43)CC2)CC1,HALURPUGBAOTLP-UHFFFAOYSA-N
rxn:4:221121:225397,Cc1cccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)c1,ICJIRONSVSRRAI-UHFFFAOYSA-N
rxn:4:221121:225627,COc1cccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,OHCWSQXWYXEGEC-UHFFFAOYSA-N
rxn:4:221121:226067,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6=CCCCC6)cc5)ccc43)CC2)CC1,LIVROKHCVYDQFJ-UHFFFAOYSA-N
rxn:4:221121:226908,CCCCCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,UUZWYYRHUJLNKU-UHFFFAOYSA-N
rxn:4:221121:227049,CCOc1c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,GAKUJOHSPSKHRQ-UHFFFAOYSA-N
rxn:4:221121:228941,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)c(F)c5)ccc43)CC2)CC1,LCUPDJRPOWSGEK-UHFFFAOYSA-N
rxn:4:221916:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(n5cc(-c6nc(CC)no6)nn5)CC4)cc3)cc2)CC1,DCWBHSYSECWNNX-YOCNBXQISA-N
rxn:4:173546:223895,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3OCc3ccccc3)cc2)CC1,XYEBDDGHLIJUNI-UHFFFAOYSA-N
rxn:4:173578:222389,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,BJRKOMQCJXWSPU-UHFFFAOYSA-N
rxn:4:173579:224313,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)c2)c1,XKQKNWHAUACLBG-UHFFFAOYSA-N
rxn:4:174376:224126,CCN1CCN(C(C)c2cccc(-c3c(OC)cc(C(=O)OC(C)(C)C)cc3OC)c2)CC1,KFTFXWVSIHYZLZ-UHFFFAOYSA-N
rxn:4:174567:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(C)=O)cc(C2CCCNC2)n1,CUXRMHBCGDQSBY-UHFFFAOYSA-N
rxn:4:176163:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)cc1,CXFGWJFXTHRAJE-UHFFFAOYSA-N
rxn:4:199597:224669,CN1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2ccc(CN3CCN(C)CC3)cc2F)CC1,UONKRWPRBSIDCM-UHFFFAOYSA-N
rxn:4:200756:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CC(N5CCC(OC)CC5)C4)cc3)cc2)CC1,VSWUQWLVMCSOIK-DUYHBEBVSA-N
rxn:4:201987:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)cc2)CC1,GFXWYZCKPIITBX-DIVCQZSQSA-N
rxn:4:202341:226118,CCC(C)Oc1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1C,NQEFCRVTPDGTDC-UHFFFAOYSA-N
rxn:4:212748:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,IXKORJRTYLAGRN-CCZUJOCFSA-N
rxn:4:213243:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1,FZXDJHZTDAQTSH-UHFFFAOYSA-N
rxn:4:213243:223877,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(C)c1OCc1cccc(Cl)c1,YPJBNBRMWKOYAK-UHFFFAOYSA-N
rxn:4:213243:224150,Cc1c(F)cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1OCc1ccccc1,ZZRULCZIHKAHCX-UHFFFAOYSA-N
rxn:4:214879:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4C(=O)CC(N5CCN(CC)CC5)C4=O)cc3)cc2)CC1,XNTMGHQOQNQKMD-BIBMFLLGSA-N
rxn:4:221121:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,DTFOPGFBYASQGQ-UHFFFAOYSA-N
rxn:4:221121:223666,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COc6ccc(OC(F)(F)F)cc6)c5)ccc43)CC2)CC1,RTODZCGWIXVTIR-UHFFFAOYSA-N
rxn:4:221121:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,MZZXDRMEUWNHNW-UHFFFAOYSA-N
rxn:4:221121:224049,CCc1cc(OCc2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,HYIYPEVPTVVHHH-UHFFFAOYSA-N
rxn:4:221121:224295,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6[N+](=O)[O-])cc5)ccc43)CC2)CC1,NIOVMXNSYCUHPV-UHFFFAOYSA-N
rxn:4:221121:224472,CC(C)Oc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1Cl,XAAHTKJOALCUDC-UHFFFAOYSA-N
rxn:4:221121:224895,COc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,DXLHSVDTDUTPOK-UHFFFAOYSA-N
rxn:4:221121:225388,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)Cc5ccccc5-6)ccc43)CC2)CC1,BBKJYYUGDFVLLM-UHFFFAOYSA-N
rxn:4:221121:225444,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccccc6)c5)ccc43)CC2)CC1,ZVILRGSTJGPYTE-UHFFFAOYSA-N
rxn:4:221121:225482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6)cc5F)ccc43)CC2)CC1,JNCCIAVJSVCFKC-UHFFFAOYSA-N
rxn:4:221121:225490,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6F)cc5)ccc43)CC2)CC1,LKPXLUFHGPHUDG-UHFFFAOYSA-N
rxn:4:221121:225503,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6Cl)cc5)ccc43)CC2)CC1,WHAFMPZGTYOJMP-UHFFFAOYSA-N
rxn:4:221121:225586,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)nc5)ccc43)CC2)CC1,IHFOYHBQGYVZRB-UHFFFAOYSA-N
rxn:4:221121:225620,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC6CCOCC6)cc5)ccc43)CC2)CC1,PQTKPNNTOUBBDA-UHFFFAOYSA-N
rxn:4:221121:225738,CCCCOc1cc(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,ODEBSGGHEZRURN-UHFFFAOYSA-N
rxn:4:222389:187847,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(C(F)F)cc21,DCYYRSJUOBOELP-UHFFFAOYSA-N
rxn:4:173580:222542,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)cc1,SHZPIROAENHRHV-UHFFFAOYSA-N
rxn:4:173600:224127,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)c(OC(=O)CC)cc12,HWCFQFDCPSAXNH-UHFFFAOYSA-N
rxn:4:174404:222630,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)c(C)c(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,ODUUUCZAHLSSGW-UHFFFAOYSA-N
rxn:4:176164:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(C)c3F)c2)cc1OCCCN1CCNCC1,UZSDQAIMORRWEQ-UHFFFAOYSA-N
rxn:4:180534:222624,CC(C)Cc1cc(-c2ccc(-c3ccc(C=C4C(=O)OC(C)(C)OC4=O)o3)cc2)cc(C2CCNCC2)n1,AQBMJISLWGNQNL-UHFFFAOYSA-N
rxn:4:183775:222389,Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3Cl)co2)n1,UZLOTICHMCFMDD-UHFFFAOYSA-N
rxn:4:202274:223953,COCCN1CCN(c2cc(F)cc(-c3ccc([C@H]4CN(Cc5ccccc5)C[C@@H]4N(C)C)cc3)c2)CC1,KBYHTLJMTPRTCZ-ZWXJPIIXSA-N
rxn:4:202349:224669,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(CN5CCN(C)CC5)cc4F)cc2)CC3)cc1,CWARVRLHWHBJEQ-UHFFFAOYSA-N
rxn:4:203920:224061,CCCC1CCC(c2ccc(-c3cccc(CN4CCN(C)CC4)c3OC)c(F)c2)CC1,BQBDMFROCNAUHM-UHFFFAOYSA-N
rxn:4:204092:224155,Cc1cc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)ccc1CN1CCC(N(C)C)CC1,AWIIEFRLVRXIFQ-UHFFFAOYSA-N
rxn:4:212744:222892,COc1cc(N2CCNCC2)ccc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,IMAOHERPHBXOLF-UHFFFAOYSA-N
rxn:4:213214:225427,CCCCOc1c(C)cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(CC)CC3)n2)cc1C,HCGBSDBVABOGOB-UHFFFAOYSA-N
rxn:4:213243:223966,O=C(CN1CCN(Cc2ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc2)CC1)N1CCOCC1,QNSNLFCCUSUQMX-UHFFFAOYSA-N
rxn:4:218769:224259,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)ccc32)CC1)N1CCCC1,SZAAXFXLTIMDBO-UHFFFAOYSA-N
rxn:4:219780:225451,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(SC6CCCCC6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,QBISXTPYOIXZEA-UHFFFAOYSA-N
rxn:4:221121:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,SCRXHWCPTXCXOZ-UHFFFAOYSA-N
rxn:4:221121:224232,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)c(OCc6ccccc6)cc5F)ccc43)CC2)CC1,CBIHWXJKLHCYMF-UHFFFAOYSA-N
rxn:4:221121:224445,Cc1ccc(COc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,RIRLWKOSHSZBJU-UHFFFAOYSA-N
rxn:4:221121:224547,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccc(F)cc6)cc5)ccc43)CC2)CC1,BZJMNGTWHNIDGS-UHFFFAOYSA-N
rxn:4:221121:224567,COc1ccc(Oc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,LWKGDXVGMAGLBX-UHFFFAOYSA-N
rxn:4:221121:224871,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(SCc6ccccc6)c5)ccc43)CC2)CC1,NDKKRYVUNNOGPR-UHFFFAOYSA-N
rxn:4:221121:225071,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(Cl)cc6)c(F)c5)ccc43)CC2)CC1,VXLRYEMRHUEWMC-UHFFFAOYSA-N
rxn:4:221121:226105,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COC(C)(C)C)cc5)ccc43)CC2)CC1,LHYCTNGMEJQNDV-UHFFFAOYSA-N
rxn:4:221121:226891,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)cc(F)c5F)ccc43)CC2)CC1,WDIQBMZATXQIRA-UHFFFAOYSA-N
rxn:4:221121:226998,CC(C)COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,BNFWSVAUFIHPQD-UHFFFAOYSA-N
rxn:4:221121:227016,C/C=C/COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,SVKCGIYVDKQKJK-ONEGZZNKSA-N
rxn:4:221121:228392,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)CC2)CC1,BUQKNZVDBNUYTL-UHFFFAOYSA-N
rxn:4:221121:228972,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(F)(F)F)cs5)ccc43)CC2)CC1,FMVPVGNBIHBJBN-UHFFFAOYSA-N
rxn:4:222389:174249,FC(F)(F)c1cc(COc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)cc(C(F)(F)F)c1,LYHIPQLRXKBZAQ-UHFFFAOYSA-N
rxn:4:173508:222741,COc1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc1OCCOC1CCCCO1,AMYYGKZVTFAEKU-UHFFFAOYSA-N
rxn:4:173575:222616,CC1(C)COC(CCCCC(=O)c2ccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cc2)OC1,JQAUUELHSYMNIT-UHFFFAOYSA-N
rxn:4:173575:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1,JCYJINMNXLOABR-UHFFFAOYSA-N
rxn:4:173623:222730,CCCc1cc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OCC=C(C)C)cc(C2CCNCC2)n1,VOKCPJNJKISQNL-UHFFFAOYSA-N
rxn:4:173643:222742,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c(OCC(=O)C(C)(C)C)cc12,YZMXPBXQEAZNSI-UHFFFAOYSA-N
rxn:4:174404:224126,CCN1CCN(C(C)c2cccc(-c3cc(C(=O)OC)cc(-c4ccc(OC(F)(F)F)cc4)c3C)c2)CC1,LCDCLSWZGRXKAH-UHFFFAOYSA-N
rxn:4:174498:222542,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)c2)c1F,CDOKBSVTMXJJQY-UHFFFAOYSA-N
rxn:4:176110:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3Cl)c2)cc1OCCCN1CCN(C)CC1,KYBNYSGOUGVUII-UHFFFAOYSA-N
rxn:4:185206:223753,COc1cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,IMTGOUGAIPWJRM-UHFFFAOYSA-N
rxn:4:199663:223753,Cc1ccc(-c2cnccc2OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)cc1OCCCN1CCN(C)CC1,LUVPEQLUASPNEW-UHFFFAOYSA-N
rxn:4:199705:222615,CCN1CCN(CCCOc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)ccc2C)CC1,WGLWBTCXEIVFMF-UHFFFAOYSA-N
rxn:4:200762:225451,CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)C2)C1,CIDQWFUBYZCKLG-UHFFFAOYSA-N
rxn:4:200880:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c(F)c2)CC1,VLPBDHYKXWVZGV-KWQFAZJVSA-N
rxn:4:201132:223872,CCN(C(=O)c1cccc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)c1)C1CCCCC1,CXIYKCQSSRHVLK-UHFFFAOYSA-N
rxn:4:201132:226253,CCCOc1cc(OC)cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)c1,MRVKRXLMNLBWMS-UHFFFAOYSA-N
rxn:4:201150:224101,CC1CCN(CCOc2cccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)c2)CC1,MJFBEQGLVINUPB-UHFFFAOYSA-N
rxn:4:202284:223625,COc1ccc(-c2ccc(COc3ccc(C(C)(C)C)cc3C)cc2)cc1CN1CCC(N2CCCC2)CC1,FOYBVHOOHZWBHD-UHFFFAOYSA-N
rxn:4:202341:224607,CC(C)N1CCN(Cc2cc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,TVMWZQPJUXYQBL-UHFFFAOYSA-N
rxn:4:204140:223597,CN1CCN(Cc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc(C(C)(C)C)c2)CC1,LDIHEKNJAYJHQD-UHFFFAOYSA-N
rxn:4:204142:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCOC(C)C4)c(N4CCOCC4)c3)c(F)c2)CC1,GMRVBOPOWWXXBH-BUZHSDJQSA-N
rxn:4:221121:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,PMGPWFQJXKSEBG-UHFFFAOYSA-N
rxn:4:221121:224529,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,JIJXIOCJZJJHDM-UHFFFAOYSA-N
rxn:4:221121:224700,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(Cl)cc6F)cc5)ccc43)CC2)CC1,VVFJEEJNBGXAOJ-UHFFFAOYSA-N
rxn:4:221121:225391,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cc6ccccc6)cc5)ccc43)CC2)CC1,QYSKAJKEDDJSMX-UHFFFAOYSA-N
rxn:4:221121:225406,Cc1ccc(-c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,PDIWXUVFLPZSEI-UHFFFAOYSA-N
rxn:4:221121:225766,CCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C)c1F,JNBANAFRUSTKHR-UHFFFAOYSA-N
rxn:4:221121:226057,CCCCCCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,SVHNKEOAFLMNRH-UHFFFAOYSA-N
rxn:4:221121:226253,CCCOc1cc(OC)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,UWOGSKOZPCJNNY-UHFFFAOYSA-N
rxn:4:221193:224136,Cc1cc(OCc2cccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)c2)ccc1Cl,YTCKAGFCECXUGA-UHFFFAOYSA-N
rxn:4:221986:225884,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4COCCO4)c(F)c3)cc2)CC1,AQANAVBIOGWAAJ-UHFFFAOYSA-N
rxn:4:222389:176005,Clc1c(OCc2ccccc2)ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C1OCCO1,LVCJANDNRQXDBJ-UHFFFAOYSA-N
rxn:4:222389:176123,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(-c2cc(F)ccc2F)c1,MEBUOWXKWRUUOE-UHFFFAOYSA-N
rxn:4:173393:222538,CCCOc1ccc(C(=O)OCC)cc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,SZKSPTDWKRVSHU-UHFFFAOYSA-N
rxn:4:173553:223787,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc2F)CC1,KVCPIFWVUHQYQY-UHFFFAOYSA-N
rxn:4:173607:222537,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,YXRJSSVRQDPVTC-UHFFFAOYSA-N
rxn:4:180497:223893,CCN1CCN(CCOc2cccc(-c3ccc(C4CCCOC4)c(C4CC4)c3)c2)CC1,YPVVHOBWVKEXHP-UHFFFAOYSA-N
rxn:4:188156:223753,Cc1ccc(-c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])cc1OCCCN1CCN(C)CC1,LDPOEFYODDKEII-UHFFFAOYSA-N
rxn:4:201779:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,ITNBCVOZDJEKQX-RQNOJGIXSA-N
rxn:4:202341:226105,CC(C)N1CCN(Cc2cc(-c3ccc(COC(C)(C)C)cc3)cc(C(C)(C)C)c2)CC1,QJTDVWKVWGROKS-UHFFFAOYSA-N
rxn:4:202347:224667,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)c2)CC3)cc1,ALWQMTIETVKLER-UHFFFAOYSA-N
rxn:4:212737:224259,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2)CC1,XCCJNTMDDTYOIQ-UHFFFAOYSA-N
rxn:4:213086:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(Oc5ncc(CC)cn5)CC4)o3)cc2)CC1,WRQYQQSZTJATBH-DIVCQZSQSA-N
rxn:4:213243:223846,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,KILBJQPQKDDZHY-UHFFFAOYSA-N
rxn:4:213243:224034,CCCCc1ccc(-c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)cc1,ICAPIJKSTMLHBD-UHFFFAOYSA-N
rxn:4:219155:223753,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)c2)C3)nc1,IVXDNJCZBNQOGT-UHFFFAOYSA-N
rxn:4:221121:223677,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)c(OCc6ccccc6)c(C(F)(F)F)c5)ccc43)CC2)CC1,ZKECNIPPVXCNGD-UHFFFAOYSA-N
rxn:4:221121:223758,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(OC)c1OCc1ccccc1,MKJSWAVWTUIJAV-UHFFFAOYSA-N
rxn:4:221121:223863,CC(C)COc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,PFKMZDLRDWCQOJ-UHFFFAOYSA-N
rxn:4:221121:223966,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(OC(F)(F)F)cc6)cc5)ccc43)CC2)CC1,ZIXJCLLBDQZSMK-UHFFFAOYSA-N
rxn:4:221121:224053,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C)c1OCc1ccccc1,GTCYAYLNRAWVJL-UHFFFAOYSA-N
rxn:4:221121:224139,Cc1cc(OCc2cccc(Cl)c2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ZNLXFUXJFIZCLN-UHFFFAOYSA-N
rxn:4:221121:224204,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(OCc6ccccc6)cc5F)ccc43)CC2)CC1,QXJMAZVXALPAEX-UHFFFAOYSA-N
rxn:4:221121:224511,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)cc5F)ccc43)CC2)CC1,IZHPKBHEKMZSLT-UHFFFAOYSA-N
rxn:4:221121:224692,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cccc([N+](=O)[O-])c6)cc5)ccc43)CC2)CC1,MILPNXCQEBRVDE-UHFFFAOYSA-N
rxn:4:221121:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)CC1,DRMWHMADNPLWRC-QVYRIUEQSA-N
rxn:4:221121:225061,CC1CCN(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,UQIILEZNNIOIOC-UHFFFAOYSA-N
rxn:4:221121:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,OULLKPGUEBQXGW-UHFFFAOYSA-N
rxn:4:221121:225401,Cc1ccc(-c2ccccc2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,HMTVRWUKHDRHNM-UHFFFAOYSA-N
rxn:4:221121:225494,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cccc(Cl)c6)cc5)ccc43)CC2)CC1,XGNADJZOOAFMRS-UHFFFAOYSA-N
rxn:4:221121:226909,CCC/C=C/c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,JVGGTFVTIBRNCO-AATRIKPKSA-N
rxn:4:221193:223586,COc1ccc(COc2cc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc(C(F)(F)F)c2)cc1,LFLKWUBWPRBUIA-UHFFFAOYSA-N
rxn:4:222389:178371,COc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C(C)(C)C)cc1C(C)(C)C,VWFGELOUXKDIQQ-UHFFFAOYSA-N
rxn:5:190308:223145:227712,CC1CCCN(CCc2cc(-c3ccc(C4CCC(=O)N4)cc3)ccc2-c2ccc(OC(F)F)c(F)c2)C1,FCHIENVDZVEMAA-UHFFFAOYSA-N
rxn:4:173546:223786,CN1CCN(CCCOc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3OCc3ccccc3)cc2Cl)CC1,CPKYUOFEIWFVCW-UHFFFAOYSA-N
rxn:4:173578:222630,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)c1,RWNRDXUQHVJVTK-UHFFFAOYSA-N
rxn:4:173579:224194,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(CN4CCN(CC)CC4)c(Cl)c3)c2)c1,JDAAXWJFEQJUPO-UHFFFAOYSA-N
rxn:4:173675:222845,Cc1oc2cc(-c3ccc(C(C)N4CCNCC4)cc3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,MMACAPREJZQLKI-UHFFFAOYSA-N
rxn:4:173789:222389,COC(=O)c1ccc(OCC(F)(F)F)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,UGLLSDSINFYDKH-UHFFFAOYSA-N
rxn:4:174376:222465,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,WUIPRLOAIUXWKA-UHFFFAOYSA-N
rxn:4:174570:222631,CCCCCCC1CC(=O)c2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)ccc2O1,HENVRJQLMYHSPG-UHFFFAOYSA-N
rxn:4:176115:223787,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(F)c4)c3)cc2F)CC1,XJRFDHAUNAZIPY-UHFFFAOYSA-N
rxn:4:176161:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4C)c3)cc2Cl)CC1,IKFZOMLFENOGEJ-UHFFFAOYSA-N
rxn:4:176163:223787,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)cc1,VDIZLZYIYGCQJR-UHFFFAOYSA-N
rxn:4:178597:224496,CCN1CCN(Cc2cccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c2)CC1,YUOKCNFPKAMZOC-UHFFFAOYSA-N
rxn:4:184205:222889,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cc(F)cc(CN4CCNCC4)c3)cc(OCc3ccccc3)c2C1,FERGMKDHUVFPOR-UHFFFAOYSA-N
rxn:4:184721:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC)cc(C(=O)N(C)OC)c3)c(F)c2)CC1,JNYYSBGODOPUEH-MEMLXQNLSA-N
rxn:4:193669:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(N2CCCCC2)c1,IYCLKHFHYLNTPV-UHFFFAOYSA-N
rxn:4:199641:222703,CCN1CCN(CCCOc2cccc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)c2)CC1,MFYJBDOAROKTGP-UHFFFAOYSA-N
rxn:4:200863:224259,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,DEMZDQMRGYJIMU-QFIPXVFZSA-N
rxn:4:201132:223662,COc1ccc2cc(-c3ccc(C(=O)OCc4ccccc4)cc3[N+](=O)[O-])ccc2c1CC(=O)N(C)C1CCN(C)CC1,NVPQIFYVTUKWMF-UHFFFAOYSA-N
rxn:4:201132:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc4c(CC(=O)N(C)C5CCN(C)CC5)c(OC)ccc4c3)cc2)cc1,DPAXQJZCEYTEAA-UHFFFAOYSA-N
rxn:4:201795:224424,CCCC1CCC(c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,FVRVMVVUSBWBTL-UHFFFAOYSA-N
rxn:4:202092:224702,Cc1c(-c2ccc(CCN3CCC(N(C)C)CC3)cc2)cc(F)c(OC2CCCC2)c1F,KQXMVPLMCNAYFX-UHFFFAOYSA-N
rxn:4:202306:225430,CCCCOc1cc(C)c(-c2cc(CN3CCN(CC)CC3)cc(C(C)(C)C)c2)c(C)c1,OSLGIMQPXBDVAP-UHFFFAOYSA-N
rxn:4:202312:224424,CCCC1CCC(c2ccc(-c3cccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c3)cc2)CC1,VMVQIYAJMSLIFN-UHFFFAOYSA-N
rxn:4:212567:224126,CCN1CCN(C(C)c2cccc(-c3cnc(OC4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)C4)nc3)c2)CC1,QDYYJSBIORBLFJ-UHFFFAOYSA-N
rxn:4:213243:224430,CCC(C)Oc1ccc2cc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)ccc2c1,RXYXUBYTEUNNEP-UHFFFAOYSA-N
rxn:4:219569:224428,CCCCOc1ccc2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)ccc2c1,CACDHWQVQGMRBI-UHFFFAOYSA-N
rxn:4:221121:223675,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCc6ccccc6)c(C(F)(F)F)cc5Cl)ccc43)CC2)CC1,FEEJTNYXEBKMQJ-UHFFFAOYSA-N
rxn:4:221121:224228,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6c(F)cccc6F)cc5)ccc43)CC2)CC1,ATWHODKFKLBMMO-UHFFFAOYSA-N
rxn:4:221121:224802,COC(OC)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,JOVBXXZGXJVLDK-UHFFFAOYSA-N
rxn:4:221121:225079,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(OC(F)F)ccc6c5)ccc43)CC2)CC1,HMJWMCBTFMUOBZ-UHFFFAOYSA-N
rxn:4:221121:225402,Cc1c(-c2ccccc2)cccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,LZYZANLUDNYYRM-UHFFFAOYSA-N
rxn:4:221121:225604,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Sc6ccccc6)nc5)ccc43)CC2)CC1,VIRZBWSQIMJELO-UHFFFAOYSA-N
rxn:4:221121:226983,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,OCGAZMWDNLRJNF-UHFFFAOYSA-N
rxn:4:221175:225071,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)cn3)C2)C(=O)C1=O,KHRGIJRWPBRVNV-UHFFFAOYSA-N
rxn:4:173577:224127,CCN1CCN(C(C)c2ccc(-c3ccc(OC)c(COC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)CC1,UBSUPQAFXBZPDV-UHFFFAOYSA-N
rxn:4:173607:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,PVUJOPNZGNANMY-UHFFFAOYSA-N
rxn:4:173614:222389,CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)cc12,LSENMMATOSVLTL-UHFFFAOYSA-N
rxn:4:173675:222851,CCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)(C)C)cc(C2CCNCC2)n1,YIGOHKQOXKUCQJ-UHFFFAOYSA-N
rxn:4:174500:223787,COc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)c1,NBUHWCCTNLMDFP-UHFFFAOYSA-N
rxn:4:184167:223753,Cc1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)cc1OCCCN1CCN(C)CC1,YJYHKVINRHXFIX-UHFFFAOYSA-N
rxn:4:199641:224633,CCN1CCN(CCCOc2cccc(-c3cc(CN4CCOCC4)ccc3OC)c2)CC1,FIQCVBMEEXDAAH-UHFFFAOYSA-N
rxn:4:200756:223877,COC1CCN(C2CN(C(=O)Cc3ccc(-c4cc(C)c(OCc5cccc(Cl)c5)c(C)c4)cc3)C2)CC1,XPGTZNHXMDSGRX-UHFFFAOYSA-N
rxn:4:202113:222389,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,ILTLFTXRECPAPX-UHFFFAOYSA-N
rxn:4:202349:224667,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc2)CC3)cc1,OYFXAHSQJKXFAT-UHFFFAOYSA-N
rxn:4:203935:224061,CCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3OC)c(F)c2)CC1,PFLQOMMUMLZUTM-UHFFFAOYSA-N
rxn:4:212839:224261,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(-c5cccc(C(F)(F)F)c5)cc4)ccn23)CC1,LCIUFURSYOBNEG-UHFFFAOYSA-N
rxn:4:213243:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)cc1,JZYMDWDMWSGKFR-UHFFFAOYSA-N
rxn:4:213243:223798,O=C(CN1CCN(Cc2ccc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)cc2)CC1)N1CCOCC1,JBUXNAHGMPOPOO-UHFFFAOYSA-N
rxn:4:213243:224122,COc1ccc(CSc2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)cc1,XUYNKMYEVJTESL-UHFFFAOYSA-N
rxn:4:214889:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(CN4CCN(C)CC4)c(N4CCCC4)c3)cc2C)c1,JSHQSOAVARQVDJ-UHFFFAOYSA-N
rxn:4:221121:224260,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccc(C(F)(F)F)cc6)c5)ccc43)CC2)CC1,KOEKUDQDIFQJNT-UHFFFAOYSA-N
rxn:4:221121:224532,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6cccc(Cl)c6)cc5)ccc43)CC2)CC1,DHDRLVSKRATLBL-UHFFFAOYSA-N
rxn:4:221121:224545,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6ccc(Cl)cc6)c5)ccc43)CC2)CC1,VVNWFRDVVWNESU-UHFFFAOYSA-N
rxn:4:221121:224781,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCO6)c(C(F)(F)F)c5)ccc43)CC2)CC1,BHJUWBHNBJLXGA-UHFFFAOYSA-N
rxn:4:221121:224919,Cc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)cc1,VEHOYYJGJBXMBP-UHFFFAOYSA-N
rxn:4:221121:224938,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COCc6cccs6)c5)ccc43)CC2)CC1,IBVHDKXHWHGAKU-UHFFFAOYSA-N
rxn:4:221121:225037,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)cc5F)ccc43)CC2)CC1,QQNUUEQSIOJQCD-UHFFFAOYSA-N
rxn:4:221121:225400,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1-c1ccccc1,UQHRXQMGKWTNMX-UHFFFAOYSA-N
rxn:4:221121:225405,Cc1cc(-c2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,PHNBBSRDFFSXAW-UHFFFAOYSA-N
rxn:4:221121:225432,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COC6CCCC6)c5)ccc43)CC2)CC1,NAYCICPWXJJCFF-UHFFFAOYSA-N
rxn:4:221121:225501,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6cccc(F)c6)c5)ccc43)CC2)CC1,MHFQPMMEMCQHES-UHFFFAOYSA-N
rxn:4:221121:225728,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,JTIVRLCJOFIXHI-UHFFFAOYSA-N
rxn:4:221121:226098,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,WNOZPCZJVCGHDY-UHFFFAOYSA-N
rxn:4:221121:226961,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)c6ccccc56)ccc43)CC2)CC1,YZFSCIHUPRLYGB-UHFFFAOYSA-N
rxn:4:221121:227041,CCOc1cc(C)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,NUBVFLQQZMJNMG-UHFFFAOYSA-N
rxn:4:222389:184126,O=C1c2ccccc2C(=O)N1CCCOc1ccc(C(F)(F)F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,RSHJFNUXUJWLEV-UHFFFAOYSA-N
rxn:4:173607:222465,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,BQSKRGTVMFKDRC-UHFFFAOYSA-N
rxn:4:175931:224126,CCN1CCN(C(C)c2cccc(-c3c(C)cc(OCCC4OCCO4)cc3C)c2)CC1,ZSLSJPGBPODREQ-UHFFFAOYSA-N
rxn:4:183819:223753,CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,JDASBPDQAZYYLM-UHFFFAOYSA-N
rxn:4:184100:222980,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CN3CCNCC3)cc2)c1,SMEMSQGJVVXAIQ-UHFFFAOYSA-N
rxn:4:184274:224291,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(OCCN2CCOCC2)c(F)c1,FUHKIQMORQHHNU-UHFFFAOYSA-N
rxn:4:191038:223753,Cc1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C)cc1OCCCN1CCN(C)CC1,HHEMCCDFYYBJJB-UHFFFAOYSA-N
rxn:4:199641:222908,CCN1CCN(CCCOc2cccc(-c3cncc(NC(=O)OC(C)(C)C)c3)c2)CC1,SRGLUWOTBMNOKM-UHFFFAOYSA-N
rxn:4:200609:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(CN4CCN(C(C)C)CC4)c(OC(F)(F)F)c3)cc2C)c1,RWTMNGRMWXZMGS-UHFFFAOYSA-N
rxn:4:200880:224222,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(OCc5ccccc5)c(F)c4)cc3)CC2)CC1,MMBIQRUODYSUAW-UHFFFAOYSA-N
rxn:4:201132:226159,COc1ccc2cc(-c3cccc(N4CCCCC4)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,CYIXVEMNWKWQKB-UHFFFAOYSA-N
rxn:4:201132:226868,COc1ccc2cc(-c3ccc(OC(F)(F)F)c(Cl)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,UKFCVEHDGVXTCT-UHFFFAOYSA-N
rxn:4:202341:226145,CC(C)N1CCN(Cc2cc(-c3ccc(OC4CCCC4)cc3)cc(C(C)(C)C)c2)CC1,OGUYVNXVQMXJNL-UHFFFAOYSA-N
rxn:4:203934:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,DIJKWESGLMRVNZ-MEMLXQNLSA-N
rxn:4:214062:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCOCC4)c3)cc2)cc1,SAFGTRHWTYYBET-UHFFFAOYSA-N
rxn:4:214322:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)cc2)CC1,VEKVXEHXTJPUNF-FBSWEULCSA-N
rxn:4:218631:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cc2)CC1,NCFOACUSRAYMSB-UHFFFAOYSA-N
rxn:4:221121:223862,CCCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)cc1,DMUDIYPXSZXUJN-UHFFFAOYSA-N
rxn:4:221121:224034,CCCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,OCEXSMGTDJCMQJ-UHFFFAOYSA-N
rxn:4:221121:224353,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5c(F)cc(Oc6cccc(F)c6)cc5F)ccc43)CC2)CC1,JLDTWZGVPQYKTQ-UHFFFAOYSA-N
rxn:4:221121:224465,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C#Cc6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,KTKMXEDPOXPOMA-UHFFFAOYSA-N
rxn:4:221121:224887,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6cccc(C#N)c6)cc5)ccc43)CC2)CC1,DCSLCEGMRCYKEL-UHFFFAOYSA-N
rxn:4:221121:224899,COc1ccccc1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,KPFYZUHQTVVPJC-UHFFFAOYSA-N
rxn:4:221121:225608,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccn6)cc5)ccc43)CC2)CC1,OFEJFYDSTAAVQW-UHFFFAOYSA-N
rxn:4:221121:226193,Cc1ccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,IZQZCPISHACXDX-UHFFFAOYSA-N
rxn:4:221121:226217,COc1cc(C)cc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)sc12,GSCQWEDHWKRASY-UHFFFAOYSA-N
rxn:4:222126:224867,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCC4CCCCC4)cc3)cc2)CC1,JPEGKSRNCYRINL-UHFFFAOYSA-N
rxn:4:222389:174481,CC(C)(C)OC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,VIBJVHMKAARMKB-UHFFFAOYSA-N
rxn:4:222389:199611,O=C(c1ccccc1SC(F)F)N1CCC(Oc2ncccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,WJCUQNIXDIPZBC-UHFFFAOYSA-N
rxn:4:176146:223895,CCN1CCN(CCOc2ccc(-c3cc(-c4ccc(OC(F)(F)F)cc4)cc(C(C)(C)C)c3)cc2)CC1,OYHFOJOPRVGNOO-UHFFFAOYSA-N
rxn:4:191130:222389,CC(C)(C)OC(=O)N1CCC2(CCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3O2)CC1,IJVVABZVLZGIRR-UHFFFAOYSA-N
rxn:4:201132:223661,COc1ccc2cc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,CPWYANITVATVAJ-UHFFFAOYSA-N
rxn:4:201132:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)c1,XYTWGFVWUNNUMN-UHFFFAOYSA-N
rxn:4:201132:225109,COc1ccc2cc(-c3cccc(OC(=O)OC(C)(C)C)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,MSCXARZMUSHEEZ-UHFFFAOYSA-N
rxn:4:201843:222864,CC(C)NCCOc1ccc(-c2cc([N+](=O)[O-])cc(F)c2OCC2CCN(C)CC2)cc1F,FDZVZRKZAOUFQI-UHFFFAOYSA-N
rxn:4:204003:224177,CC(C)COc1cc(-c2ccc(CN3CCC(N(C)C)CC3)cc2Cl)cc(Cl)c1OC(C)C,OAXHFBGBNWABGF-UHFFFAOYSA-N
rxn:4:207794:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C)CC4)cc4c3OCC4)c(F)c2)CC1,ICNIOZWYTWHSDC-ALOJWSFFSA-N
rxn:4:212720:224259,CN(C(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,JACXMVFJCDPYBK-UHFFFAOYSA-N
rxn:4:213243:224057,Cc1cc(OCc2ccccc2)c(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1C,DTZIDLPOLNHNCU-UHFFFAOYSA-N
rxn:4:221121:223510,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc43)CC2)CC1,HZFGBTLUBGUCEY-UHFFFAOYSA-N
rxn:4:221121:223736,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(C(C)(C)C)c5)ccc43)CC2)CC1,FZXVUCJYCACWPE-UHFFFAOYSA-N
rxn:4:221121:223861,CCCCOc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,MCSHXYJDOPTKQX-UHFFFAOYSA-N
rxn:4:221121:224000,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(-c6cccc(C(F)(F)F)c6)c(Cl)c5)ccc43)CC2)CC1,DATAGASGVAYYDF-UHFFFAOYSA-N
rxn:4:221121:224113,COc1ccccc1COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,DPGKRSBLDBCZJY-UHFFFAOYSA-N
rxn:4:221121:224444,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCc1ccccc1,ZPDTWHXJHOFSNC-UHFFFAOYSA-N
rxn:4:221121:224921,Cc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2F)cc1,AZJRELWWBXLDSS-UHFFFAOYSA-N
rxn:4:221121:225070,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(F)cc6)c(F)c5)ccc43)CC2)CC1,VZBWVKRLPTVVDD-UHFFFAOYSA-N
rxn:4:221121:225292,CC(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(F)(F)F,FGXANMFCSJTWMC-UHFFFAOYSA-N
rxn:4:221121:225398,Cc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,WFOXKTNIGOUVSL-UHFFFAOYSA-N
rxn:4:221121:225399,Cc1cc(-c2ccccc2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GYCXTWOJVHNXSE-UHFFFAOYSA-N
rxn:4:221121:225489,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(-c6ccccc6)c5)ccc43)CC2)CC1,KQBKRZXZPHTUSI-UHFFFAOYSA-N
rxn:4:221121:226075,COc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1,RBDRKWIMZNBYQS-UHFFFAOYSA-N
rxn:4:221121:226984,CCCOCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,WSUWLGKQHMFQCW-UHFFFAOYSA-N
rxn:4:221121:226985,CCCCOc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,DVBOQPZCJXGZKP-UHFFFAOYSA-N
rxn:4:221121:228970,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(F)(F)F)s5)ccc43)CC2)CC1,DATNJYWBHZHVBK-UHFFFAOYSA-N
rxn:4:222389:175708,COc1cc(C(=O)OC(C)(C)C)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,HIFYETSMGHOMIM-UHFFFAOYSA-N
rxn:5:193748:223082:225631,CNS(=O)(=O)c1c(C)cc(-c2ccc(-c3ccc(N4CCN(C)CC4)cc3)c(C(=O)N3CCCC(C)C3)c2)cc1C,ZCHQZLGHTRBDKJ-UHFFFAOYSA-N
rxn:4:173572:222539,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1,RMGAHNOJODNEEJ-UHFFFAOYSA-N
rxn:4:173579:222624,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c2)c1,NDAYJQVOKGKXOB-UHFFFAOYSA-N
rxn:4:174376:222466,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,CWSAEICPXGSQSZ-UHFFFAOYSA-N
rxn:4:175939:224198,CCN1CCN(Cc2ccc(-c3ccc(COC4CCCCO4)cc3OC)c(F)c2)CC1,VGHKYVLILPABGW-UHFFFAOYSA-N
rxn:4:176165:223894,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c1,ZFTJUSRLSYTZBO-UHFFFAOYSA-N
rxn:4:184139:224126,CCN1CCN(C(C)c2cccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OCc3cccc([N+](=O)[O-])c3)c2)CC1,DOBCXUIJEAUJNO-UHFFFAOYSA-N
rxn:4:185142:223894,CCOC(=O)c1sc(-c2cccc(OCCCN3CCN(C)CC3)c2)nc1-c1ccc(C(C)(C)C)cc1,DYVYIVFCBZUJRS-UHFFFAOYSA-N
rxn:4:187880:222628,COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1-c1cc(C2CCC2)nc(C2CCCNC2)c1,NFYRIHQJOCRCKT-UHFFFAOYSA-N
rxn:4:200880:224050,CCc1cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)ccc1OCc1ccccc1,WNZAWCHRXTUVGJ-UHFFFAOYSA-N
rxn:4:202094:224877,CC(C)N1CCN(CCc2ccc(F)c(-c3ccc(COC4CCCCC4)cc3)c2)CC1,PWCAATKONRKSQX-UHFFFAOYSA-N
rxn:4:202161:224421,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C,XNUXCWYKYNUAIT-UHFFFAOYSA-N
rxn:4:202284:224061,CCCC1CCC(c2ccc(-c3ccc(OC)c(CN4CCC(N5CCCC5)CC4)c3)c(F)c2)CC1,YWJXOOTVWDWAGP-UHFFFAOYSA-N
rxn:4:212641:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CCOC)C5=O)CC4)o3)c(F)c2)CC1,ABXNLQDTSDCCIK-HZCBDIJESA-N
rxn:4:212740:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FBQGYJCBJFHLSG-UHFFFAOYSA-N
rxn:4:213176:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(COc5ncccc5C)CC4)c3)cc2)CC1,BUBBYJUMOACQFM-KWQFAZJVSA-N
rxn:4:213243:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)c1,KQXPXEWDXOIPPJ-UHFFFAOYSA-N
rxn:4:218772:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1,WNDFXSOGKNXIOD-UHFFFAOYSA-N
rxn:4:218976:223847,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cc2)CC1,GUCMPYNDRJVMFQ-UHFFFAOYSA-N
rxn:4:219997:223753,Cc1ccc(-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)cc1OCCCN1CCN(C)CC1,VDLDJWSHEQTWNT-UHFFFAOYSA-N
rxn:4:221110:225513,COc1ccc2cc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)ccc2c1Cl,PHVHANPCODPQGO-UHFFFAOYSA-N
rxn:4:221110:227003,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(OCC5CC5)cc4)cn3)CC2)CC1,UUMSOCZFRVXLJP-UHFFFAOYSA-N
rxn:4:221121:223798,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6cccc(C(F)(F)F)c6)cc5)ccc43)CC2)CC1,HNRLERUEPWHUFP-UHFFFAOYSA-N
rxn:4:221121:223799,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(F)(F)F)c(OCc6ccccc6)c5)ccc43)CC2)CC1,IAHHNTHDDVQQET-UHFFFAOYSA-N
rxn:4:221121:224797,CCCCOc1c(F)c(F)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(F)c1F,QYRJAWNBQCZZTQ-UHFFFAOYSA-N
rxn:4:221121:224905,CSc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,YZZVIJFYRXFKRB-UHFFFAOYSA-N
rxn:4:221121:227831,CCc1c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,ZNQXEBMQOGBMGL-UHFFFAOYSA-N
rxn:4:222389:174548,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,RICUIBYBTDFGRV-UHFFFAOYSA-N
rxn:4:222891:184100,COc1cc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)c2)cc(C2CCNCC2)n1,VFYZTCPLRLGXDJ-UHFFFAOYSA-N
rxn:5:193748:228567:225631,CCC(C)c1sccc1-c1ccc(-c2ccc(N3CCN(C)CC3)cc2)c(C(=O)N2CCCC(C)C2)c1,UTFALKMLVXOAAX-UHFFFAOYSA-N
rxn:4:174434:224496,CCN1CCN(Cc2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3OC(C)C)c2)CC1,WWUHEUMNPCIUAE-UHFFFAOYSA-N
rxn:4:178362:222611,CCCC1CCC(c2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cc2)CC1,GSSJYZDGGDMXJQ-UHFFFAOYSA-N
rxn:4:180510:223839,CCC1CCC(c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,DIJKWESGLMRVNZ-UHFFFAOYSA-N
rxn:4:184100:224975,CCN1CCN(c2ccc(-c3cc(C)cc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)c3)cc2)CC1,MUCCTKCMLRUDIW-UHFFFAOYSA-N
rxn:4:190094:223497,CC(c1ccc(-c2cccc(CCN3CCCCC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PHVJDBRYLXQMHM-UHFFFAOYSA-N
rxn:4:191087:223894,CN1CCN(CCCOc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4(C)C)c2)CC1,UBVPWZMWRNZDRU-UHFFFAOYSA-N
rxn:4:200561:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(C(=O)OC)c3)cc2)CC1,DEBLNYZCDQIIIQ-UHFFFAOYSA-N
rxn:4:200758:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(C(=O)N4CCN(C(C)C)CC4)c(OC)c3)c(F)c2)CC1,MLEJYHFBIBBATC-YHBQERECSA-N
rxn:4:200880:225016,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(-c5cscn5)cc(C5CC5)c4)cc3)CC2)CC1,YAOIBBSMZFFXOZ-UHFFFAOYSA-N
rxn:4:201150:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)c2)CC1,HYBJKGLVXPZEGZ-UHFFFAOYSA-N
rxn:4:201151:224051,CCc1ccc(OCc2ccccc2)c(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)c1,NVUHTDRGNAYCLJ-UHFFFAOYSA-N
rxn:4:201989:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3OCC)c(F)c2)CC1,PMHZEDUKSGTDLF-UHFFFAOYSA-N
rxn:4:202065:223847,CCCCCC1CCC(c2ccc(-c3cc(OC)c(CN4CCN(C)CC4)c(OC)c3)cc2)CC1,WECCKRRNAALRMD-UHFFFAOYSA-N
rxn:4:202161:224904,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C(=O)C2CCCCC2)cc1,JPGPEYOVZPGGII-UHFFFAOYSA-N
rxn:4:202341:226097,CC(C)N1CCN(Cc2cc(-c3ccc(COCC4CC4)cc3)cc(C(C)(C)C)c2)CC1,VZQNDOJUMRMLLF-UHFFFAOYSA-N
rxn:4:204012:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3cccc(S(=O)(=O)N4CCC(N(C)C)CC4)c3)cc2C)c1,WGIGDAOTPNOAJR-UHFFFAOYSA-N
rxn:4:204092:224189,COc1cc(-c2ccc(CN3CCC(N(C)C)CC3)c(C)c2)ccc1O[Si](C)(C)C(C)(C)C,GLJXLICUSYDCMM-UHFFFAOYSA-N
rxn:4:213091:223846,Cc1cc(-c2ccc(CN3CCC(COc4cnccn4)CC3)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,DEVIKBZMKZUFSF-UHFFFAOYSA-N
rxn:4:217905:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)C2CC(c4ccc(C)o4)=NN2C2(CCN(C)CC2)O3)c1,NNICSZVGOLWPPA-UHFFFAOYSA-N
rxn:4:218772:224259,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)ccc32)CC1)N1CCOCC1,SGVMOLRWTPGWFA-UHFFFAOYSA-N
rxn:4:221110:224241,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(COc5cccc(F)c5F)cc4)cn3)CC2)CC1,YBIIBDHASTZBCS-UHFFFAOYSA-N
rxn:4:221111:225451,O=C(C1CC(=O)N(c2cccc(-c3ccc(SC4CCCCC4)cc3)c2)C1)N1CCN(CCn2ccnc2)CC1,ATCFBWFNSYXLFS-UHFFFAOYSA-N
rxn:4:221121:223485,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc43)CC2)CC1,AIQBVJJDQZGROD-UHFFFAOYSA-N
rxn:4:221121:224401,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6COCCO6)c(C(F)(F)F)c5)ccc43)CC2)CC1,JQRGHURRSNPYHN-UHFFFAOYSA-N
rxn:4:221121:224453,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cc1ccccc1,SLGDQWJLGLZYHA-UHFFFAOYSA-N
rxn:4:221121:225496,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccccc6Cl)c5)ccc43)CC2)CC1,PFPFCCHXIQXNAZ-UHFFFAOYSA-N
rxn:4:221121:226194,Cc1ccccc1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)s1,RNMCYRZURVBDQN-UHFFFAOYSA-N
rxn:4:221121:226987,CCCCSc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,GLCIZGRXSZTLNN-UHFFFAOYSA-N
rxn:4:221121:227011,CC(C)OCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,MYXJVZGTYVBNRF-UHFFFAOYSA-N
rxn:4:221193:224526,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(COc5ccccc5Cl)cc4)cn3)C2)CC1,CYLZYWPNSHMFEL-UHFFFAOYSA-N
rxn:4:221240:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCCN(Cc5c6c(nn5C)CCC6)C4)nc3)cc2)CC1,RRLSIGIRISWYSS-UHFFFAOYSA-N
rxn:4:222742:178363,Cc1cc(OC[C@H]2COC(C)(C)O2)cc(C)c1-c1cc(C2CCNCC2)nc(C2CC2)c1,AQMPLAAUSNEIEJ-QHCPKHFHSA-N
rxn:4:173572:223753,Cc1ccc(-c2cc(COC(C)(C)C)cc(COC(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,PPLMKLKGMZRUKY-UHFFFAOYSA-N
rxn:4:174376:222538,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,RCBAPNCPQIIEBH-UHFFFAOYSA-N
rxn:4:183694:223497,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)C1,YYJHOQMDTSOKIJ-UHFFFAOYSA-N
rxn:4:184100:223200,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C3CCNC3)cc2)c1,COHVDFAQNRTKNN-UHFFFAOYSA-N
rxn:4:184100:224973,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cccc(CN3CCN(C)CC3)c2)c1,FQUJICCIVLSWCU-UHFFFAOYSA-N
rxn:4:191089:223894,CN1CCN(CCCOc2cccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(C)C)c2)CC1,YTURJSXVRMLWDE-UHFFFAOYSA-N
rxn:4:200726:223894,CN1CCN(CCCOc2cccc(-c3cc(C(F)(F)F)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,GFYYIOCTXWHMSV-UHFFFAOYSA-N
rxn:4:201088:223753,Cc1ccc(-c2ccc(CC(=O)N3C4CCC3CC(Oc3ccccn3)C4)cc2)cc1OCCCN1CCN(C)CC1,NFKXXDPAAFEAIA-UHFFFAOYSA-N
rxn:4:201132:226116,COc1ccc2cc(-c3ccc(OCC4CC4)c(C)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,KOPKEWDYGNVKCR-UHFFFAOYSA-N
rxn:4:201150:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)CC1,ZSTGTUSTGYJDQY-UHFFFAOYSA-N
rxn:4:202122:223624,COc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1cccc(COc2ccc(C(C)(C)C)cc2C)c1,NLRBVTNTLAPLDZ-UHFFFAOYSA-N
rxn:4:202125:223847,CCCCCC1CCC(c2ccc(-c3ccc(C4(C(=O)N5CCN(CC)CC5)CC4)cc3)cc2)CC1,GIDKXHYUNJAATD-UHFFFAOYSA-N
rxn:4:202240:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccc(CN5CCN(C)CC5)cc4)cc3)c(F)c2)CC1,BXXTZRJCDGTIOH-KWQFAZJVSA-N
rxn:4:202341:225830,Cc1nc(N2CCCCC2)ncc1-c1cc(CN2CCN(C(C)C)CC2)cc(C(C)(C)C)c1,LYLPTCOJXQWLQK-UHFFFAOYSA-N
rxn:4:204069:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCC(N(C)C)CC2)c(C)c1,FRQNTQMMCFUQNI-UHFFFAOYSA-N
rxn:4:204117:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,GGZMYAGOSJMWKY-BIBMFLLGSA-N
rxn:4:207013:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)N4CCN(C)CC4)ccc3C)cc2)CC1,DHEVYJAESQRCLU-UHFFFAOYSA-N
rxn:4:213052:223497,CC(c1ccc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,SQIIKOOPTQUWHB-UHFFFAOYSA-N
rxn:4:221121:224422,CCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,TVONFXLKCNIQHY-UHFFFAOYSA-N
rxn:4:221121:224854,Cc1cc(-c2ccccc2)cc(C)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,KXOVOLKAZNMQQB-UHFFFAOYSA-N
rxn:4:221121:224902,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1-c1ccccc1,OWCOOIYHLVKZOH-UHFFFAOYSA-N
rxn:4:221121:225036,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)c(Cl)c5)ccc43)CC2)CC1,IJKWDZGHAPBQCC-UHFFFAOYSA-N
rxn:4:221121:225042,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)cc5Cl)ccc43)CC2)CC1,CIFQUBZZAWLMKW-UHFFFAOYSA-N
rxn:4:221121:225085,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6ccc(C(F)(F)F)cc6c5)ccc43)CC2)CC1,MTLUPZRTGUTUNC-UHFFFAOYSA-N
rxn:4:221121:225491,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)ccc5-c5ccccc5)ccc43)CC2)CC1,GWUAUIIYXBJNAH-UHFFFAOYSA-N
rxn:4:221121:226195,Cc1cccc(-c2csc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)c1,XRAYKQZNNABIMS-UHFFFAOYSA-N
rxn:4:221121:227661,Cc1cc(C(F)(F)F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,NLKQFYZKTDQEQV-UHFFFAOYSA-N
rxn:4:222126:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,RNEBYHNQIPBMLG-YOCNBXQISA-N
rxn:4:222195:223847,CCCCCC1CCC(c2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2)CC1,DWGBBXKHXRAPKZ-UHFFFAOYSA-N
rxn:4:222284:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(OC)c5)CC4)cc3)cc2)CC1,HJYOBTGRQMAXHK-OGESRWMOSA-N
rxn:4:222623:199711,CCC(C)c1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc(C2CCNCC2)n1,GOWVSZKIHPQWEZ-UHFFFAOYSA-N
rxn:4:173575:222615,CC(C)Cc1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCNCC2)c1,NBLJWORQMOIXJV-UHFFFAOYSA-N
rxn:4:173616:222616,Cc1oc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C,NFLRLTZFRJNZIW-UHFFFAOYSA-N
rxn:4:174376:224127,CCN1CCN(C(C)c2ccc(-c3c(OC)cc(C(=O)OC(C)(C)C)cc3OC)cc2)CC1,AZIZTVSELNTWCH-UHFFFAOYSA-N
rxn:4:176158:223839,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,CZHGHVIPTOHXIS-YHBQERECSA-N
rxn:4:176161:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4C)c3)cc2F)CC1,UCEIRTUEJSZSHT-UHFFFAOYSA-N
rxn:4:178588:223894,CN1CCN(CCCOc2cccc(-c3ccc4c(c3)CCC(O[Si](C)(C)C(C)(C)C)C4)c2)CC1,GLKDBNHMFHPXSO-UHFFFAOYSA-N
rxn:4:184100:223142,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C3CCCNC3)nc2)c1,NYGQCEOQTKJFMG-UHFFFAOYSA-N
rxn:4:184100:224125,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c1,DGUOVAWNLVJWSF-UHFFFAOYSA-N
rxn:4:187541:223563,COc1cc(COc2c(C)cc(-c3ccc(OC4CCN(C)CC4)cc3OC(C)C)cc2C)cc(OC)c1,PNOQGOKWHSPXOZ-UHFFFAOYSA-N
rxn:4:199641:224065,CCN1CCN(CCCOc2cccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)c2)CC1,DJMHUYOTWSLXBH-UHFFFAOYSA-N
rxn:4:200811:224496,CCN1CCN(Cc2cccc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCN(C)CC3)c2)CC1,RYIWFPOLDKOTLR-UHFFFAOYSA-N
rxn:4:201132:225567,COc1ccc2cc(-c3ccc(C(=O)OC(C)C)c(C)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,QTCHMVDSGNGEMU-UHFFFAOYSA-N
rxn:4:201132:226103,CCCOc1c(C)cc(-c2ccc3c(CC(=O)N(C)C4CCN(C)CC4)c(OC)ccc3c2)cc1C,FBQISQXTKVLYMB-UHFFFAOYSA-N
rxn:4:201150:224259,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)ccc3C2)CC1,CWHJNNABVMOQME-UHFFFAOYSA-N
rxn:4:202244:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)c(F)c2)CC1,HIQNMANYTWACFD-DIVCQZSQSA-N
rxn:4:202244:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCN(C)CC4)cc3)c(F)c2)CC1,HIQNMANYTWACFD-UHFFFAOYSA-N
rxn:4:202341:224462,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc(C(C)(C)C)c2)CC1,CNGUCPRHNJMUHG-UHFFFAOYSA-N
rxn:4:202341:225115,CCOc1c(Cl)cc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)cc1OC(C)C,USVOFLSETXRLFV-UHFFFAOYSA-N
rxn:4:204140:222539,CN1CCN(Cc2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc(C(C)(C)C)c2)CC1,PLCPHPBSFSFOQL-UHFFFAOYSA-N
rxn:4:221110:227002,CCCOc1ccc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c(C)c1,HBBGXHMEYSGJGC-UHFFFAOYSA-N
rxn:4:221121:223803,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6cccc(C(F)(F)F)c6)c5)ccc43)CC2)CC1,UFDAIRBKZMYDOS-UHFFFAOYSA-N
rxn:4:221121:224222,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(OCc6ccccc6)c(F)c5)ccc43)CC2)CC1,RYBKJQIXEMNFGT-UHFFFAOYSA-N
rxn:4:221121:224294,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccccc6[N+](=O)[O-])c5)ccc43)CC2)CC1,GOLXRTQDCBONQS-UHFFFAOYSA-N
rxn:4:221121:224344,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccccc6C(F)(F)F)nc5)ccc43)CC2)CC1,GQSYKNGTAAMBLU-UHFFFAOYSA-N
rxn:4:221121:225502,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Cl)cc5-c5ccccc5)ccc43)CC2)CC1,AJZJHKZNGWSQPP-UHFFFAOYSA-N
rxn:4:221121:225741,CCCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,YRRJEIBKWKTBHB-UHFFFAOYSA-N
rxn:4:222389:186788,COC(=O)c1cnc(OC2CCCC2)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,UINHXQFSRFZXKX-UHFFFAOYSA-N
rxn:4:222621:185896,COC(=O)c1cc(C(F)(F)F)cc(C#N)c1-c1cc(CC(C)C)nc(C2CCCNC2)c1,UXCUAFJPNJXDRD-UHFFFAOYSA-N
rxn:4:222623:187492,CCC(C)c1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc(C2CCNCC2)n1,SXVJIKVGOSZUIX-UHFFFAOYSA-N
rxn:4:173483:222389,Cc1ccc(S(=O)(=O)OCCOc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)cc1,IEJZITDAZRMDGF-UHFFFAOYSA-N
rxn:4:173575:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C(=O)CCCCC4OCC(C)(C)CO4)cc3)c2)CC1,YVEIKRNSPMEBCF-UHFFFAOYSA-N
rxn:4:173577:223952,COc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc1COC(=O)c1ccc(C(C)(C)C)cc1,SCVJMGGUKQMABL-UHFFFAOYSA-N
rxn:4:173606:222616,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C2CCNCC2)cc(C(C)(C)C)c1,IKYXMVTXRGLERY-UHFFFAOYSA-N
rxn:4:173675:222584,Cc1oc2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,MGKZLNJTBMDDEB-UHFFFAOYSA-N
rxn:4:174428:224497,CCN1CCN(Cc2ccc(-c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)cc2)CC1,QXJHJZWGJJMIDL-UHFFFAOYSA-N
rxn:4:174485:224670,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(CN2CCN(C)CC2)ccc1F,AONHHXUQEODJGI-UHFFFAOYSA-N
rxn:4:176087:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCC(C)C)c(C(C)(C)C)c3)cc2)CC1,CLOTVOBHELGOHK-UHFFFAOYSA-N
rxn:4:184862:223497,CC(c1ccc(-c2cccc(CCN(C)CC3CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,RPTQZJPLPAFULI-UHFFFAOYSA-N
rxn:4:187184:224424,CCCC1CCC(c2ccc(-c3cccc(CN4CCC(C(=O)OC)CC4)c3)cc2)CC1,QEBWQXXKOWYRRV-UHFFFAOYSA-N
rxn:4:191106:223892,CN1CCN(CCCOc2ccc(-c3ccc4c(c3)C3(CCOCC3)CN4C(=O)OC(C)(C)C)cc2)CC1,SETGZADSYUPLGV-UHFFFAOYSA-N
rxn:4:199641:222729,CCCc1cc(-c2cccc(OCCCN3CCN(CC)CC3)c2)cc(C2CCCNC2)n1,DFAKFXOBNIAFDP-UHFFFAOYSA-N
rxn:4:200880:223759,COc1cc(COc2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)cc2)cc(OC)c1,UCUXCWWRBAUSBD-UHFFFAOYSA-N
rxn:4:202284:222436,COc1ccc(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)cc1CN1CCC(N2CCCC2)CC1,RKIWSNRKLIQHDB-UHFFFAOYSA-N
rxn:4:203898:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3OC)cc2)CC1,ZRHYQGWOEBIXGK-UHFFFAOYSA-N
rxn:4:204103:225451,O=C(c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1)N1CCC(N2CCCC2)CC1,FYAUIAMWLVJZFX-UHFFFAOYSA-N
rxn:4:215990:223563,COc1cc(COc2c(C)cc(-c3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)cc2C)cc(OC)c1,PQYGHLZNUBDRBQ-UHFFFAOYSA-N
rxn:4:218621:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)cc2)CC1,JOQAAOPKPFGJFH-IGFROFNYSA-N
rxn:4:218775:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCCCC5)CC4)c3)cc2)CC1,BWJGXOBSYHRKIY-YALZGCRRSA-N
rxn:4:221121:223719,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c6ccccc56)ccc43)CC2)CC1,NHKWSBXLJNBYFY-UHFFFAOYSA-N
rxn:4:221121:224055,Cc1cc(OCc2ccccc2)cc(C)c1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,JMVREGCBQCYIRP-UHFFFAOYSA-N
rxn:4:221121:224058,Cc1c(OCc2ccccc2)ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1C,JDJZKKVSIDZABK-UHFFFAOYSA-N
rxn:4:221121:224107,COc1ccc(COc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,ACLNTSQGGQLEID-UHFFFAOYSA-N
rxn:4:221121:224229,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(OCc6ccccc6)c(Cl)c5)ccc43)CC2)CC1,PECQVTWOHDGFRA-UHFFFAOYSA-N
rxn:4:221121:224539,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6cccc(F)c6)cc5)ccc43)CC2)CC1,VSBAEMIWWYSGCA-UHFFFAOYSA-N
rxn:4:221121:224546,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccc(Cl)cc6)cc5)ccc43)CC2)CC1,HGZVGLRIFUYXGF-UHFFFAOYSA-N
rxn:4:221121:225443,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6)cc5)ccc43)CC2)CC1,YTOWMGJLLKNHSU-UHFFFAOYSA-N
rxn:4:221121:225739,CCCCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1F,WYIKUJPSXSAIMG-UHFFFAOYSA-N
rxn:4:221121:226087,CCCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,LPNSHXAVVDTDEX-UHFFFAOYSA-N
rxn:4:221986:223974,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(N4CCC(C)CC4)cc3C(F)(F)F)cc2)CC1,ZLGYKVQOTWBCSD-UHFFFAOYSA-N
rxn:4:222367:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)c2)CC1,RIMUIVMKTVWTPN-CNSSTKINSA-N
rxn:4:173580:222624,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c2)cc1,YOPRVTJFFYUNSD-UHFFFAOYSA-N
rxn:4:173606:222615,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,VASVWINWLZUEEI-UHFFFAOYSA-N
rxn:4:174486:222615,COc1cc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)ccc1CO[Si](C)(C)C(C)(C)C,PPGMBGGJANDYGN-UHFFFAOYSA-N
rxn:4:184065:224496,CCN1CCN(Cc2cccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCCC4)cc3)c2)CC1,QPTUTBYTMGFULN-UHFFFAOYSA-N
rxn:4:184100:222984,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CN3CCC(O)C3)cc2)c1,NBVICQWAGKJYQF-UHFFFAOYSA-N
rxn:4:184100:224971,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CN3CCN(C)CC3)cc2)c1,NMKGPLXLBLMBDY-UHFFFAOYSA-N
rxn:4:185556:222615,CC(C)Cc1cc(-c2ccc3c(c2)COC3(CCCN(C)C)c2ccc(F)cc2)cc(C2CCNCC2)c1,PNISLBJGNSGCGU-UHFFFAOYSA-N
rxn:4:187631:222615,CC(C)Cc1cc(-c2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2CCNCC2)c1,CSOPLGXUUQVYKS-UHFFFAOYSA-N
rxn:4:190372:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(CN4CCC(OC)CC4)c3)cc2)CC1,WDKUYNMEPZIHJJ-UHFFFAOYSA-N
rxn:4:197093:223497,CC(c1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,QYJRIBOZJZUSJL-UHFFFAOYSA-N
rxn:4:200880:223725,CCCCCc1ccc(-c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c(F)c2)cc1,MMVCJAHYYIXVAA-UHFFFAOYSA-N
rxn:4:200880:224044,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(CCOCc5ccccc5)cc4)cc3)CC2)CC1,OOMJTBKODNWQQW-UHFFFAOYSA-N
rxn:4:200880:224510,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(F)c4)cc3)CC2)CC1,IZDKNRGJOOMRJU-UHFFFAOYSA-N
rxn:4:200882:224259,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c1)C2,BQLQCOVMMODFOD-UHFFFAOYSA-N
rxn:4:201150:222615,CC(C)Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C2CCNCC2)c1,HXMTVVZNYLWKAV-UHFFFAOYSA-N
rxn:4:201991:223563,COc1cc(COc2c(C)cc(-c3ccc(OCCN4CCN(C)CC4)c(Cl)c3C)cc2C)cc(OC)c1,FAWHGZSQEYJJTR-UHFFFAOYSA-N
rxn:4:202228:223734,COc1c(C(=O)N2CCN(C)CC2)cc(C(C)C)cc1-c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1,PVGNMGVMOAQLJG-UHFFFAOYSA-N
rxn:4:202341:225677,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCCC4)nc3F)cc(C(C)(C)C)c2)CC1,UBOZDDLDGNHKOJ-UHFFFAOYSA-N
rxn:4:213243:224136,Cc1cc(OCc2cccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c2)ccc1Cl,QVBFDNVTWDNDRR-UHFFFAOYSA-N
rxn:4:213266:223728,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)c(F)c2)CC1,CTHJRKRITWAKKZ-UHFFFAOYSA-N
rxn:4:218772:223847,CCCCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)cc2)CC1,ZNNGHQFHNJAWBU-UHFFFAOYSA-N
rxn:4:218775:225396,Cc1ccccc1-c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1,UZXVPLGBQNBJBM-UHFFFAOYSA-N
rxn:4:218877:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)cc2)CC1,AAFSOLCMCYCUET-AVTAQKSFSA-N
rxn:4:221121:224022,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)ccc43)CC2)CC1,AMEYSAPHMSUQQG-UHFFFAOYSA-N
rxn:4:221121:224115,COc1cc(OCc2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,DAUMSJLPRLJCDB-UHFFFAOYSA-N
rxn:4:221121:224844,CCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,KOXBMEZTHOSICZ-UHFFFAOYSA-N
rxn:4:221121:225276,CCCOc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1C(F)(F)F,PLTSUNIJOBXMEK-UHFFFAOYSA-N
rxn:4:221121:225481,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(-c6ccccc6)c5F)ccc43)CC2)CC1,SNSMFKIQIGJJHI-UHFFFAOYSA-N
rxn:4:221986:224351,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)cc2)CC1,QANJZRLCLJPIJK-UHFFFAOYSA-N
rxn:4:222389:187889,CN(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)C2=O,USPHCLFLUBDBQO-UHFFFAOYSA-N
rxn:4:223830:176162,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(C)c4)c3)ccc2C)CC1,VAKJHQDZMNDELW-UHFFFAOYSA-N
rxn:4:173552:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OC(F)(F)F)cc3)c2)cc1OCCCN1CCNCC1,UYWFVDCCBYIENE-UHFFFAOYSA-N
rxn:4:174300:223688,CCCCCOc1cc(C)c(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2OC)c(C)c1,ZFLMFAUITPEVKK-UHFFFAOYSA-N
rxn:4:174593:222729,CCCc1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)(C)C)cc(C2CCCNC2)n1,NQOJTFYOUNAASR-UHFFFAOYSA-N
rxn:4:178382:224570,CC(c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1)N1CCN(C)CC1,WAPICNCZRPRRPZ-UHFFFAOYSA-N
rxn:4:183996:223895,CCN1CCN(CCOc2ccc(-c3ccc(Cl)c(CN(C(=O)OC(C)(C)C)C4CCCC4)c3)cc2)CC1,UFEAPLXJQWLMQD-UHFFFAOYSA-N
rxn:4:184100:225312,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cnc(N3CCCN(C)CC3)nc2)c1,QSHRNRRRZBDMPI-UHFFFAOYSA-N
rxn:4:191087:222615,CC(C)Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc(C2CCNCC2)c1,GAMFWCYZUKQHKP-UHFFFAOYSA-N
rxn:4:197965:222615,CC(C)Cc1cc(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)cc(C2CCNCC2)c1,IUENKGVENHUYOZ-UHFFFAOYSA-N
rxn:4:199596:224496,CCN1CCN(Cc2cccc(-c3ccc(OC(F)(F)F)cc3OCCN3CCN(C)CC3)c2)CC1,NGHFECLZJGTEKR-UHFFFAOYSA-N
rxn:4:199794:223892,Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c2)c1Sc1ccccc1,APZMHZGGVMJZCQ-UHFFFAOYSA-N
rxn:4:200880:223878,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)c(OCc5ccc(Cl)cc5)c(C)c4)cc3)CC2)CC1,GHUMVDHPVBXQBL-UHFFFAOYSA-N
rxn:4:200880:224526,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COc5ccccc5Cl)cc4)cc3)CC2)CC1,KEZPMFQWEMMBPG-UHFFFAOYSA-N
rxn:4:200880:224600,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(-c5ccc(C)cc5)cc4F)cc3)CC2)CC1,AVLQGAGXEQIIKN-UHFFFAOYSA-N
rxn:4:201150:224424,CCCC1CCC(c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,FOUONWGOSGNYNN-UHFFFAOYSA-N
rxn:4:201778:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(OCC(=O)N4CCN(C)CC4)c3)cc2)CC1,TVLXMFORHIEZHX-SOAUALDESA-N
rxn:4:201794:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,RGYFXJZHOZIMAL-RQNOJGIXSA-N
rxn:4:202266:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCCC5)C4)cc3)cc2)CC1,LXMYVUWPHQQCMY-UHFFFAOYSA-N
rxn:4:207061:223847,CCCCCC1CCC(c2ccc(-c3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)cc2)CC1,JSKXTRQXXXVYPW-UHFFFAOYSA-N
rxn:4:213174:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C)nn5)CC4)cc3)cc2)CC1,PBLQWKCLDIIOQZ-KWQFAZJVSA-N
rxn:4:213243:224050,CCc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)ccc1OCc1ccccc1,NAAPOBXFLWXHOM-UHFFFAOYSA-N
rxn:4:213978:222615,CC(C)Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C)CC3)n2)cc(C2CCNCC2)c1,MBWXYMOSHFGXQO-UHFFFAOYSA-N
rxn:4:216356:224741,COc1ccc(C2=NN3C(C2)c2cc(-c4c(OC)cc(C5OCCO5)cc4OC)ccc2OC32CCN(C)CC2)cc1,AFEYTDGRRDQWSF-UHFFFAOYSA-N
rxn:4:221110:224452,Cc1ccc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c(OCc2ccccc2)c1,LLFCBPRMCFHUPB-UHFFFAOYSA-N
rxn:4:221121:223551,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(OCc7ccccc7)cc6)cc5)ccc43)CC2)CC1,SAAFOVIXNVHHMH-UHFFFAOYSA-N
rxn:4:221121:223955,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(SCc6ccccc6[N+](=O)[O-])cc5)ccc43)CC2)CC1,YUNNOZUSYCZDOJ-UHFFFAOYSA-N
rxn:4:221121:224105,COc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OCc1ccccc1,VFAOHONLJWQUFG-UHFFFAOYSA-N
rxn:4:221121:224526,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6ccccc6Cl)cc5)ccc43)CC2)CC1,HKDPLYRSNPWSIK-UHFFFAOYSA-N
rxn:4:221121:226296,CC(C)OCc1cc(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,TVLVBQKVJLVEJJ-UHFFFAOYSA-N
rxn:4:221121:227039,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(C)(C)C)cc5)ccc43)CC2)CC1,PXEHFANCSGCCKA-UHFFFAOYSA-N
rxn:4:222622:183919,CCC(C)c1cc(-c2cnc(Oc3ccc(SC)cc3)c(C(=O)OC(C)(C)C)c2)cc(C2CCCNC2)n1,CXNCSLREXSHQAV-UHFFFAOYSA-N
rxn:4:222991:184100,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(N3CCCC(O)C3)cc2)c1,UKZVAYPAJYOGNG-UHFFFAOYSA-N
rxn:4:173553:222615,CC(C)Cc1cc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc(C2CCNCC2)c1,XZRMCBQLKXOLCJ-UHFFFAOYSA-N
rxn:4:173553:222845,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1)N1CCNCC1,AUTXMPBFJKWQGQ-UHFFFAOYSA-N
rxn:4:173643:222616,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)c(OCC(=O)C(C)(C)C)cc12,WEWCLRWVZKGFKI-UHFFFAOYSA-N
rxn:4:174485:222621,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,MKDADDCXSCNMFU-UHFFFAOYSA-N
rxn:4:174499:223753,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)c(F)c1,KMRXPUXXXPBOJR-UHFFFAOYSA-N
rxn:4:174630:223892,COC(=O)c1c(C)oc2cc(-c3ccc(OCCCN4CCN(C)CC4)cc3)c(OCc3cc(C)ccc3C)cc12,BHBSSPJIFRRBQI-UHFFFAOYSA-N
rxn:4:182375:222615,CC(C)Cc1cc(-c2ccc3c(c2)C(=O)CC(C2COCC(C)(C)C2)O3)cc(C2CCNCC2)c1,VCSCAOSIJMAXGL-UHFFFAOYSA-N
rxn:4:184100:224672,CCN1CCN(c2ccc(-c3cc(C)cc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)c3)c(Cl)c2)CC1,OYDRQXKKNDMNQX-UHFFFAOYSA-N
rxn:4:200518:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,DZNDNKDJBZUELC-RQNOJGIXSA-N
rxn:4:200762:222615,CC(C)Cc1cc(-c2ccc(CN3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)cc(C2CCNCC2)c1,HIEMFTRTDQCESI-UHFFFAOYSA-N
rxn:4:201150:224502,CN1CCCCC1COc1cccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1,PMDHVMQJOTYAHA-UHFFFAOYSA-N
rxn:4:201150:225394,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(C5CCC5)cc(C5CC5)c4)ccc3C2)CC1,NHVGDRNYWBUFEA-UHFFFAOYSA-N
rxn:4:201150:227665,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1C(F)(F)F,BQQSVTRWXKCKII-UHFFFAOYSA-N
rxn:4:202241:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4cccc(CN5CCN(C)CC5)c4)c3)c(F)c2)CC1,UXTSZPCIOIXFCB-KWQFAZJVSA-N
rxn:4:202341:222839,CC(C)N1CCN(Cc2cc(-c3ccc(NCC4CCCCC4)nc3)cc(C(C)(C)C)c2)CC1,YUDFQYLMJWDYAL-UHFFFAOYSA-N
rxn:4:204140:224790,CCCOc1cc(-c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)ccc1OC(F)(F)F,GYDHBSOWPSTSDC-UHFFFAOYSA-N
rxn:4:212751:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,IHGZNQCRBPMPFD-CCZUJOCFSA-N
rxn:4:213243:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc2)CC1,DLQCLSWAWTWAEN-DUYHBEBVSA-N
rxn:4:218846:224259,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn2)C1,LNKHEOZOZSFTEA-UHFFFAOYSA-N
rxn:4:218902:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCN(CCn5cccn5)CC4)c3)cc2)CC1,RGPXYRZCODXGOY-MCZWQBSQSA-N
rxn:4:219030:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4noc(CCN5CCN(C(C)C)CC5)n4)cc3)cc2)CC1,FYHIGBTYRRXKDZ-DIVCQZSQSA-N
rxn:4:221121:223725,CCCCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)cc1,UFEWMQOVNAJYSA-UHFFFAOYSA-N
rxn:4:221121:224853,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCC(C)(C)CC6)cc5)ccc43)CC2)CC1,RKEWOUOEZIVXKV-UHFFFAOYSA-N
rxn:4:221121:224924,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)Sc5ccccc5S6)ccc43)CC2)CC1,HSGBDHZVVLLLDK-UHFFFAOYSA-N
rxn:4:221121:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,MPRJDZUFEFUNSP-UHFFFAOYSA-N
rxn:4:221121:225446,Cc1cc(OC2CCCC2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,WQLNKQZDVHFXGA-UHFFFAOYSA-N
rxn:4:221121:227008,CC=CCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,SVKCGIYVDKQKJK-UHFFFAOYSA-N
rxn:4:221121:229133,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)cc(F)c5)ccc43)CC2)CC1,DXJLZCYTCXTLAI-UHFFFAOYSA-N
rxn:4:221538:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,SVJGHBHNTSWNQF-UHFFFAOYSA-N
rxn:4:222367:225276,CCCOc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)ccc1C(F)(F)F,SVVJGTSALRBSOI-UHFFFAOYSA-N
rxn:5:189209:228599:225934,COc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C(F)(F)F)c(C4CC4)c3)c2)cc1C,DKVSSTFDLWTWEL-UHFFFAOYSA-N
rxn:4:173554:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2C(=O)OC(C)(C)C)cc1OCCCN1CCNCC1,WTTOAABNSHBANF-UHFFFAOYSA-N
rxn:4:173641:222621,Cc1oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,IMMCWOSCYLXPKG-UHFFFAOYSA-N
rxn:4:176111:223753,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(Cl)c3)c2)cc1OCCCN1CCN(C)CC1,YUMGUADGNLAEJE-UHFFFAOYSA-N
rxn:4:176163:223784,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccc(C)cc4)c3)cc2F)CC1,DBECJLSNRXXAKF-UHFFFAOYSA-N
rxn:4:184955:222615,CC(C)Cc1cc(-c2ccc(OCCCN3CCOCC3)c(Cl)c2)cc(C2CCNCC2)c1,IEQGAFJEUDYKEU-UHFFFAOYSA-N
rxn:4:199641:223933,CCN1CCN(CCCOc2cccc(-c3cc4cc(F)ccc4n3C(=O)OC(C)(C)C)c2)CC1,UXNVXAZJUSFHKA-UHFFFAOYSA-N
rxn:4:200053:222987,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2ccc(C3CCNCC3)nc2C)c1,IVPMZJGYTRHJEH-UHFFFAOYSA-N
rxn:4:200308:223497,CC(c1ccc(-c2ccc(CSC3=NCCN3C(=O)C3CC3)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KSLFZXVCXATXAI-UHFFFAOYSA-N
rxn:4:200779:224120,Cc1cc(-c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)ccc1CO[Si](C)(C)C(C)(C)C,YLBYPWDKRNSASZ-UHFFFAOYSA-N
rxn:4:201132:226143,COc1ccc2cc(-c3cc(C)c(OC(C)C)c(C)c3)ccc2c1CC(=O)N(C)C1CCN(C)CC1,SGUAPUNOWPKFJQ-UHFFFAOYSA-N
rxn:4:201150:222436,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(C(=O)Nc5cccc(OC(F)(F)F)c5)c4)ccc3C2)CC1,APJPUTXKDCYGKI-UHFFFAOYSA-N
rxn:4:201150:222476,Cc1cccc(CNC(=O)c2cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)ccc2Cl)c1,MPMHIVFLJBFLPW-UHFFFAOYSA-N
rxn:4:201150:224150,Cc1c(F)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1OCc1ccccc1,NUNDAFYKJRBPPQ-UHFFFAOYSA-N
rxn:4:201150:224860,CCCOc1ccc2cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)ccc2c1,KLVFLWHLLZRIRH-UHFFFAOYSA-N
rxn:4:201150:225823,CC(C)c1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C(F)(F)F)c1,VODAXRHLBUVVRM-UHFFFAOYSA-N
rxn:4:201150:227365,CCOc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C)c1F,BJHPHTRYOGJSPG-UHFFFAOYSA-N
rxn:4:201843:222855,COc1cc(-c2cc([N+](=O)[O-])cc(F)c2OCC2CCN(C)CC2)cc(C2CCCNC2)c1,VYTIOXCFRUPSEL-UHFFFAOYSA-N
rxn:4:202341:225209,Cc1nc(N2CCCCC2C)ncc1-c1cc(CN2CCN(C(C)C)CC2)cc(C(C)(C)C)c1,VFXKMKRFYSLEDA-UHFFFAOYSA-N
rxn:4:202620:222615,CC(C)Cc1cc(-c2ccc3c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c3c2)cc(C2CCNCC2)c1,FVICEYXGHZZCPN-UHFFFAOYSA-N
rxn:4:204092:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CN3CCC(N(C)C)CC3)c(C)c2)CC1,NVGCPIAIVZVELE-UHFFFAOYSA-N
rxn:4:212839:224600,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(-c5ccc(C)cc5)cc4F)ccn23)CC1,BFRGCZCANFTHNX-UHFFFAOYSA-N
rxn:4:213227:224089,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)cc2)cc1CN1CCC(Oc2ncc(C)cn2)CC1,APFZNDPWNLNXOC-UHFFFAOYSA-N
rxn:4:213243:223914,COc1ccc(Cl)cc1COc1ccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1,DCNKYVWVMNHHFJ-UHFFFAOYSA-N
rxn:4:213854:223753,Cc1ccc(-c2ccccc2CN2CCC(Oc3ncc(F)cn3)CC2)cc1OCCCN1CCN(C)CC1,XYDXNESQDCBHCF-UHFFFAOYSA-N
rxn:4:214851:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCC5)CC4)c3)cc2)CC1,NWDZHYXSUSDZIF-SOAUALDESA-N
rxn:4:221121:224138,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCc1cccc(Cl)c1,QMMIEGFCGKHSNQ-UHFFFAOYSA-N
rxn:4:221121:224530,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(COc6cccc(Cl)c6)c5)ccc43)CC2)CC1,QNDYGNAUPOCJGH-UHFFFAOYSA-N
rxn:4:221645:222615,CC(C)Cc1cc(-c2cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc(C2CCNCC2)c1,VKFFEMVZNZPHAU-UHFFFAOYSA-N
rxn:4:222621:184056,COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(CC(C)C)nc(C2CCCNC2)c1,BBGGIUCUJKKQNA-UHFFFAOYSA-N
rxn:4:173578:223753,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)c1,YRQVCUIAHUUXBU-UHFFFAOYSA-N
rxn:4:174311:224126,CCCCOc1cc(-c2cccc(C(C)N3CCN(CC)CC3)c2)cc(C2OCCO2)c1,BBHSZCJWUNAFLU-UHFFFAOYSA-N
rxn:4:185112:223753,Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCN(C)CC1,JOBPOSYTNYPGRC-UHFFFAOYSA-N
rxn:4:199641:224672,CCN1CCN(CCCOc2cccc(-c3ccc(N4CCN(CC)CC4)cc3Cl)c2)CC1,QZBGBUPIWZMLKX-UHFFFAOYSA-N
rxn:4:200837:223894,CN1CCN(CCCOc2cccc(-c3ccccc3CCC(=O)N3CCCN(C4CCSC4)CC3)c2)CC1,XIZXWHGPKIKBOZ-UHFFFAOYSA-N
rxn:4:200880:224120,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)c(C)c4)cc3)CC2)CC1,GIOMFJYWEARQBH-UHFFFAOYSA-N
rxn:4:201150:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,DTSHAQITEOZKAF-DUYHBEBVSA-N
rxn:4:201150:228633,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C)c1Cl,ISTXJSFUDYFPRE-UHFFFAOYSA-N
rxn:4:202182:222624,CC(C)Cc1cc(-c2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)CC2)cc(C2CCNCC2)n1,IDOCGQJPZMNIPZ-UHFFFAOYSA-N
rxn:4:202341:225326,CCOC(=O)c1ccc(-c2cc(CN3CCN(C(C)C)CC3)cc(C(C)(C)C)c2)c([N+](=O)[O-])c1,GSOITSITSATUDP-UHFFFAOYSA-N
rxn:4:204029:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4C)cc3)c(F)c2)CC1,AEZGBZPLANMIEP-UHFFFAOYSA-N
rxn:4:204069:223563,COc1cc(COc2c(C)cc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)c(C)c3)cc2C)cc(OC)c1,VSRDZMFEMBOWAQ-UHFFFAOYSA-N
rxn:4:212737:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ODNLWKSBZQQLNU-UHFFFAOYSA-N
rxn:4:213218:225451,C[C@H]1CN(Cc2ccc(-c3ccc(SC4CCCCC4)cc3)cn2)CCN1C(=O)OC(C)(C)C,RWWJARHGQKUBFX-NRFANRHFSA-N
rxn:4:221097:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)cc2)CC1,SBAWEFXPJNOBOU-AVTAQKSFSA-N
rxn:4:221103:225390,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(CC(C)C)cc(C5CC5)c4)cn3)C2)cn1,JHWDFVSKHSLQJY-UHFFFAOYSA-N
rxn:4:221110:224061,CCCC1CCC(c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)c(F)c2)CC1,IIOVVLSBYHPIJA-UHFFFAOYSA-N
rxn:4:221110:224438,Cc1ccc(OCc2ccccc2)c(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c1,ZUUXCWYSVTZKLB-UHFFFAOYSA-N
rxn:4:221111:224061,CCCC1CCC(c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)c(F)c2)CC1,IEEFIMPKQLLELB-UHFFFAOYSA-N
rxn:4:221121:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,WWXKSDHIRMJEMA-UHFFFAOYSA-N
rxn:4:221121:223826,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(OC(F)(F)F)cc6)cc5)ccc43)CC2)CC1,VRVZFYLKEOYMEX-UHFFFAOYSA-N
rxn:4:221121:224060,COc1c(C(C)(C)C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C(C)(C)C,QSXXTAXBGLLVEZ-UHFFFAOYSA-N
rxn:4:221121:224123,COc1cc(OCc2ccccc2)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,SVHRWCRSYOWIOP-UHFFFAOYSA-N
rxn:4:221121:225442,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccccc5Oc5ccccc5)ccc43)CC2)CC1,BRIAGSPSQDCTEQ-UHFFFAOYSA-N
rxn:4:221175:223725,CCCCCc1ccc(-c2ccc(-c3cnc(OC4CCN(C(=O)N5CCN(CC)C(=O)C5=O)C4)nc3)c(F)c2)cc1,MKLXVLOTOMFKQP-UHFFFAOYSA-N
rxn:4:221535:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,AWDMXTNSQWPJGG-UHFFFAOYSA-N
rxn:4:221538:224176,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cc1,ZNXHKZLSHDMNFS-UHFFFAOYSA-N
rxn:4:221929:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,JSXOOMVWTPTORV-UHFFFAOYSA-N
rxn:4:222389:176937,CS(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,LESJRAOSDFVDBX-UHFFFAOYSA-N
rxn:4:223680:214894,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(CN2CCN(C)CC2)c(N2CCOCC2)c1,OCEIMEOHFLFCGH-UHFFFAOYSA-N
rxn:4:173686:222615,Cc1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,WJXGJGLDNAJIMI-UHFFFAOYSA-N
rxn:4:174568:222537,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,JTQWCIVYRYHREV-UHFFFAOYSA-N
rxn:4:176162:223834,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)c2)c1,QPYSVQNCLOOOOS-UHFFFAOYSA-N
rxn:4:180528:222629,CC(C)(C)c1cc(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)cc(C2CCCNC2)n1,XXONBWSRPQLTKZ-UHFFFAOYSA-N
rxn:4:200880:224527,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(COc5ccc(Cl)cc5)c4)cc3)CC2)CC1,YJJVDXHAUULLST-UHFFFAOYSA-N
rxn:4:200884:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1,PRLNJYRDVQONBK-UHFFFAOYSA-N
rxn:4:201150:222595,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(C(=O)Nc5ccc(F)c(F)c5)c4)ccc3C2)CC1,WDWOIPBLYIZKTF-UHFFFAOYSA-N
rxn:4:201150:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc2c(c1)CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2,PKXGRYSIDNSABN-UHFFFAOYSA-N
rxn:4:201150:226609,COC(=O)c1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C)c1Cl,KXMTYQMNRRGXTR-UHFFFAOYSA-N
rxn:4:202019:224061,CCCC1CCC(c2ccc(-c3ccc(OC)c(C(=O)N4CCN(C)CC4)c3OC)c(F)c2)CC1,RXUROYTUAYLXGU-UHFFFAOYSA-N
rxn:4:211101:222645,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccc(OCCN5CCC(O)CC5)c4)ccc2OC32CCC(C)CC2)cc1,IPWUCSYDUPIAOD-UHFFFAOYSA-N
rxn:4:212745:224846,CCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLQYWUPYFMCYLT-UHFFFAOYSA-N
rxn:4:212839:224204,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCc5ccccc5)cc4F)ccn23)CC1,SYVQKVMWQOAEQD-UHFFFAOYSA-N
rxn:4:212839:224211,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCc5cccc(F)c5F)c4)ccn23)CC1,ZGAHCHVBYBSKSN-UHFFFAOYSA-N
rxn:4:212839:224241,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(COc5cccc(F)c5F)cc4)ccn23)CC1,DQXDJMCNVOPEQP-UHFFFAOYSA-N
rxn:4:212839:224514,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(OCc5ccccc5)c4)ccn23)CC1,JQYCMAXUNJGBTC-UHFFFAOYSA-N
rxn:4:212839:226112,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCC5CC5)cc4C)ccn23)CC1,GJGWFUIQUXYXMU-UHFFFAOYSA-N
rxn:4:212839:226150,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(SC5CCCC5)c4)ccn23)CC1,UHBRRTNCPGYLBS-UHFFFAOYSA-N
rxn:4:214015:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(C#N)CC4)c(N4CCOCC4)c3)c(F)c2)CC1,DSWIFRLBKOEIOF-FBSWEULCSA-N
rxn:4:214058:224846,CCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC(N5CCC(OC)CC5)CC4)c3)cc2)CC1,XTHTVLGNAXHGFZ-UHFFFAOYSA-N
rxn:4:214276:223497,CC(c1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,ILDYRZWNLBYFOR-UHFFFAOYSA-N
rxn:4:218581:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)Cc5cccnc5)CC4)nc3)cc2)CC1,JUOONOYSKLDWAR-FCMXBYMOSA-N
rxn:4:221121:223879,CCCc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2F)cc1,BQTBIFAOZQGWQI-UHFFFAOYSA-N
rxn:4:221121:224293,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6ccc([N+](=O)[O-])cc6)c5)ccc43)CC2)CC1,FQKSRLPXFOORLX-UHFFFAOYSA-N
rxn:4:221121:224872,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(SCc6ccccc6)cc5)ccc43)CC2)CC1,VVFQOLUMZUUVRQ-UHFFFAOYSA-N
rxn:4:221121:226185,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCOCC6)cc5)ccc43)CC2)CC1,HHIXYIPDQUPBEF-UHFFFAOYSA-N
rxn:4:222583:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)c1,NNWQINMFSJONTM-UHFFFAOYSA-N
rxn:5:190833:226971:222982,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(CN4CC[C@@H](O)C4)cc3)ccc(-c3ccc4c(c3)CCCOC4)c2C1=O,XFFHTQBRGBFKLG-HHHXNRCGSA-N
rxn:4:199597:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(OC(F)(F)F)ccc3OCCN3CCN(C)CC3)c2)CC1,JQOSCULUQGSDED-UHFFFAOYSA-N
rxn:4:199641:223939,CCN1CCN(CCCOc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)c2)CC1,PLCLQBQTVULFMU-UHFFFAOYSA-N
rxn:4:199904:224570,CCOC(=O)c1ccc2c(c1)c(-c1ccc(C(C)N3CCN(C)CC3)cc1)nn2C(=O)OC(C)(C)C,RZNSDEJTTHMGKM-UHFFFAOYSA-N
rxn:4:201150:222960,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc(C2CCNCC2)c1,DGDSZBZBLYVDAA-UHFFFAOYSA-N
rxn:4:201150:224211,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(OCc5cccc(F)c5F)c4)ccc3C2)CC1,SVOZMCDZIMSGBS-UHFFFAOYSA-N
rxn:4:201150:226912,Cc1cc(CC(C)C)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1,BDCAYGKSNXQPFK-UHFFFAOYSA-N
rxn:4:201189:224424,CCCC1CCC(c2ccc(-c3ccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)cc3)cc2)CC1,RFDOJMBZPDORKC-UHFFFAOYSA-N
rxn:4:212740:225542,CCCCCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1F,BXQCHMTYTQZXJJ-UHFFFAOYSA-N
rxn:4:212744:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QEDANGYENABUFB-UHFFFAOYSA-N
rxn:4:212745:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,KDUDZYZOBPZNBO-UHFFFAOYSA-N
rxn:4:212748:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,QUDJJGIXBNJASC-UHFFFAOYSA-N
rxn:4:212839:223964,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)ccn23)CC1,LYNZCWSRQICSRG-UHFFFAOYSA-N
rxn:4:212839:224949,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(CN5CCCC5)c4)ccn23)CC1,SFEOXDLFJIJECC-UHFFFAOYSA-N
rxn:4:212839:225514,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc5c4OCC4(CC4)CO5)ccn23)CC1,AFKZFCDSTSGPMX-UHFFFAOYSA-N
rxn:4:212839:226085,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)CCC(C)(C)O5)ccn23)CC1,XBXUYHAHSRSEHH-UHFFFAOYSA-N
rxn:4:212839:226098,CCCCOc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1C,NPUFEIKTLQDRMZ-UHFFFAOYSA-N
rxn:4:212839:226846,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(F)(F)F)nc4OC)ccn23)CC1,MCTQRBSHXGTDAU-UHFFFAOYSA-N
rxn:4:212839:226998,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCC(C)C)cc4)ccn23)CC1,ZPBVZUSJGFZKDR-UHFFFAOYSA-N
rxn:4:218775:225444,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cccc(Oc5ccccc5)c4)ccc32)CC1)N1CCCCCC1,ZQDFSVNEGSRNNK-UHFFFAOYSA-N
rxn:4:221121:224349,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(N6CCCCC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,XOPJQXJFJAZHKJ-UHFFFAOYSA-N
rxn:4:221121:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,SUBOKKHJQRUIHR-UHFFFAOYSA-N
rxn:4:221121:224907,Cc1ccccc1Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,KASWVCVMIREASI-UHFFFAOYSA-N
rxn:4:221121:225038,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Oc6cccc(F)c6)c5)ccc43)CC2)CC1,SGRXDMUTWPCHLN-UHFFFAOYSA-N
rxn:4:222394:184100,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c1,INGAHUSGOAWNLH-UNWRIRMBSA-N
rxn:4:222631:174491,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)cc2)OC1,PWBKCDYKBODARJ-UHFFFAOYSA-N
rxn:4:223001:184099,CC(c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,QDEURTVKAYHSQQ-UHFFFAOYSA-N
rxn:4:173575:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1,RPSQSGGXLCUJMS-UHFFFAOYSA-N
rxn:4:173643:222851,CCc1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)C(C)(C)C)cc(C2CCNCC2)n1,YSYHFYLVPWQQCG-UHFFFAOYSA-N
rxn:4:173783:222396,COC(=O)c1cc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)ccc1OCC(F)(F)F,DLYKOABGWUNSGI-UHFFFAOYSA-N
rxn:4:174549:222624,CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1-c1cc(CC(C)C)nc(C2CCNCC2)c1,IRPTYHYLFDVCJC-UHFFFAOYSA-N
rxn:4:187104:223892,Cc1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1N(C)C(=O)OC(C)(C)C,NMOYIMIKYKXKBK-UHFFFAOYSA-N
rxn:4:200880:224537,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5F)cc4)cc3)CC2)CC1,RQKAQZHFQNFWHL-UHFFFAOYSA-N
rxn:4:200880:224543,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccccc4OCc4ccc(F)cc4)cc3)CC2)CC1,KWSCLXRNZUQFNF-UHFFFAOYSA-N
rxn:4:200880:224562,COc1cc(Oc2ccccc2)ccc1-c1ccc(CC(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1,GHQACXVUWBDWPP-UHFFFAOYSA-N
rxn:4:201150:222540,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(C(=O)NCCN5CCCCC5)c4)ccc3C2)CC1,BGSSALILGAPKFD-UHFFFAOYSA-N
rxn:4:202284:224829,COC(=O)c1ccc(-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)cc1OC(F)(F)F,BVRZQUZBHRXDMQ-UHFFFAOYSA-N
rxn:4:203955:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,JEJACJXDCFJJIT-RQNOJGIXSA-N
rxn:4:204091:223895,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCC(N(C)C)CC4)cc3C)cc2)CC1,UZQWQOSSRRMNTM-UHFFFAOYSA-N
rxn:4:212839:222854,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4OC)ccn23)CC1,HUKFWHBPVXFREZ-UHFFFAOYSA-N
rxn:4:212839:224227,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OCc5ccccc5)cc4F)ccn23)CC1,RCWIJSBECVSSCF-UHFFFAOYSA-N
rxn:4:212839:224298,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)ccn23)CC1,RKIIPQHGVICRGK-UHFFFAOYSA-N
rxn:4:212839:224778,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OC5CCOCC5)cc4F)ccn23)CC1,VGJAKPWPQAKGBU-UHFFFAOYSA-N
rxn:4:212839:224877,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(COC5CCCCC5)cc4)ccn23)CC1,FWVSSZAWGYEXMN-UHFFFAOYSA-N
rxn:4:212839:225010,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(F)c(CN5CCCCC5)c4)ccn23)CC1,ZAYXQBVGRAIARS-UHFFFAOYSA-N
rxn:4:212839:225056,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCCC(C)C5)cc4F)ccn23)CC1,TYXLVCWJENCKGT-UHFFFAOYSA-N
rxn:4:212839:225436,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCCCC5)cc4)ccn23)CC1,UHMRDKAAWLXZDZ-UHFFFAOYSA-N
rxn:4:212839:227916,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC5CC5)cc4)ccn23)CC1,GNVUAOOVCDQUGJ-UHFFFAOYSA-N
rxn:4:218772:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)cc2)CC1,NCGDGQVEALDDJD-OGESRWMOSA-N
rxn:4:221121:223714,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(OCc7ccccc7)ccc6c5)ccc43)CC2)CC1,IFOPKNADNANKJV-UHFFFAOYSA-N
rxn:4:221121:223729,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(C(C)(C)C)ccc5OCc5ccccc5)ccc43)CC2)CC1,AIEOYRLWGZAHOU-UHFFFAOYSA-N
rxn:4:221121:224708,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(OC(F)(F)F)ccc6c5)ccc43)CC2)CC1,BGQMNLPMIFZJLV-UHFFFAOYSA-N
rxn:4:221121:226229,COCCCOc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,CQJJEHOAMJTHNI-UHFFFAOYSA-N
rxn:4:221121:228080,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6c(Cl)cccc6s5)ccc43)CC2)CC1,WEHXTVRRYNGGKH-UHFFFAOYSA-N
rxn:4:221539:224424,CCCC1CCC(c2ccc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,STFCUCZGTSXFEO-UHFFFAOYSA-N
rxn:5:189207:222986:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C)nc(C3CCCNC3)c2)cc1C(=O)ON1C(=O)CCC1=O,MUJSZKLDXICMIC-UHFFFAOYSA-N
rxn:4:174548:222621,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(C)=O)cc12,ARHBNYMDPWLSRP-UHFFFAOYSA-N
rxn:4:176164:223894,Cc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(OCCCN4CCN(C)CC4)c3)c2)c1F,VQKSTRBUUDZKOT-UHFFFAOYSA-N
rxn:4:178597:222851,CCc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCNCC2)n1,XBZJXKBTVZNAOU-UHFFFAOYSA-N
rxn:4:184100:224462,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)c1,MEVZNILKSFCCNE-UHFFFAOYSA-N
rxn:4:190988:222615,CC(C)Cc1cc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc(C2CCNCC2)c1,IOEXWRZZMDLCPM-UHFFFAOYSA-N
rxn:4:200644:224061,CCCC1CCC(c2ccc(-c3cc(OC)c(S(=O)(=O)N4CCN(CC)CC4)cc3OC)c(F)c2)CC1,DHWBVDKILUPMJT-UHFFFAOYSA-N
rxn:4:200745:224080,CC(C)(C)OC(=O)c1cc(C2=NOC(c3ccccn3)C2)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1,ASSMZASRKIXONJ-UHFFFAOYSA-N
rxn:4:201150:222587,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(NCc5ccccc5)cc([N+](=O)[O-])c4)ccc3C2)CC1,VNACVDAFSFDAQU-UHFFFAOYSA-N
rxn:4:202141:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(C(F)(F)F)cc3CN3CCN(C(C)C)CC3)cc2C)c1,XUCKEMYNFUGQAK-UHFFFAOYSA-N
rxn:4:202284:226414,COc1ccc(-c2ccc(C3=NCCCO3)cc2)cc1CN1CCC(N2CCCC2)CC1,ULMKIBOUIPKUNQ-UHFFFAOYSA-N
rxn:4:204032:224061,CCCC1CCC(c2ccc(-c3ccc(C4(C(=O)N5CCN(C)CC5)CC4)cc3)c(F)c2)CC1,CYSMLWULDYVSKI-UHFFFAOYSA-N
rxn:4:212839:224221,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OCc5ccccc5)ccc(F)c4F)ccn23)CC1,FYANZMUOXNXGIB-UHFFFAOYSA-N
rxn:4:212839:224540,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCc5ccc(F)cc5)c4)ccn23)CC1,GQNOHNBXAKZDGJ-UHFFFAOYSA-N
rxn:4:212839:224849,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCC5)cc(C5CC5)c4)ccn23)CC1,CRUKZWLWMCIIQO-UHFFFAOYSA-N
rxn:4:212839:225560,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(COC5CCOC5)c4)ccn23)CC1,KUMFJEUPPAGGNS-UHFFFAOYSA-N
rxn:4:212839:226009,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)cc4OC)ccn23)CC1,GMHSHFKZBKRDPR-UHFFFAOYSA-N
rxn:4:212839:226079,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc5cc(C(C)C)ccc5s4)ccn23)CC1,XSVBMELBDFTYCK-UHFFFAOYSA-N
rxn:4:212839:227006,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCC(C)C)c4)ccn23)CC1,TWZVHDFBJHRUBW-UHFFFAOYSA-N
rxn:4:212839:228184,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(SC)c4)ccn23)CC1,YWNKGEYDLFFFLV-UHFFFAOYSA-N
rxn:4:213265:225043,O=C(c1ccc(-c2ccc(OC3CCCCC3)c(F)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,IMXDTVRIIHDCSV-UHFFFAOYSA-N
rxn:4:221110:226993,CCCOc1ccc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)cc1C,GUQMFGHAALUDIX-UHFFFAOYSA-N
rxn:4:221121:223846,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CC3CCC2(C)C3(C)C)c1,OCRIZUDRRPQSEE-UHFFFAOYSA-N
rxn:4:221121:224057,Cc1cc(OCc2ccccc2)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,UTERVRLBTOEIIH-UHFFFAOYSA-N
rxn:4:221121:224452,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(OCc2ccccc2)c1,PPEAQPBCIKTXLQ-UHFFFAOYSA-N
rxn:4:221121:225427,CCCCOc1c(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,ZFYOUICHYUHPCP-UHFFFAOYSA-N
rxn:4:221121:228067,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(F)cc6s5)ccc43)CC2)CC1,IOKGRWRYMUCSTC-UHFFFAOYSA-N
rxn:4:221538:223678,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C(F)(F)F)cc(OCc3ccccc3)c2F)cc1,LMKSACXALXRKRQ-UHFFFAOYSA-N
rxn:5:189207:227084:227084,Cc1nc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(C)(C)C)nc2C)c(C(=O)ON2C(=O)CCC2=O)c1,ZYKGZNIDCSMNCL-UHFFFAOYSA-N
rxn:4:173671:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OCc3ccc(C)cc3)cc12,CRSWAFIVQLMDJQ-UHFFFAOYSA-N
rxn:4:174431:222615,CC(C)Cc1cc(-c2cc(OC(C)C)cc(C(=O)OC(C)(C)C)c2)cc(C2CCNCC2)c1,NIFLXTJKIUIEEN-UHFFFAOYSA-N
rxn:4:174520:224127,CCN1CCN(C(C)c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(S(C)(=O)=O)c4)c3)cc2)CC1,PSIVEDNVAPIEJD-UHFFFAOYSA-N
rxn:4:201150:224067,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(-c5cccnc5)cc(C(C)(C)C)c4)ccc3C2)CC1,SFWURFHWRUZUTC-UHFFFAOYSA-N
rxn:4:201150:224462,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)ccc3C2)CC1,OVOBCFYIWDXALX-UHFFFAOYSA-N
rxn:4:201150:226757,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)ccc1OC(F)(F)F,WMJVOFPYKTWAAW-UHFFFAOYSA-N
rxn:4:202109:224423,CCC[C@H]1CC[C@H](c2ccc(-c3c(C)cc(OCC(=O)N4CCN(C)CC4)cc3C)cc2)CC1,XQMKCAMBRKGTLF-SOAUALDESA-N
rxn:4:202274:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)c1,WCKKJYNBULWUHN-WDYNHAJCSA-N
rxn:4:207782:224877,CN1CCN(C(=O)C2Cc3cc(-c4ccc(COC5CCCCC5)cc4)ccc3O2)CC1,WBBHDASOIMRBKZ-UHFFFAOYSA-N
rxn:4:212839:224559,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(SCc5ccccc5F)cc4)ccn23)CC1,DGVZJIWWHHWLCC-UHFFFAOYSA-N
rxn:4:212839:225739,CCCCOc1c(F)cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1F,ZUSBRYWXJGAURZ-UHFFFAOYSA-N
rxn:4:212839:226064,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CCCCC5)cc4)ccn23)CC1,ZDDKURQREFETOA-UHFFFAOYSA-N
rxn:4:212839:226245,CCCCOc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1F,QPFCYMZSAQXBRQ-UHFFFAOYSA-N
rxn:4:212839:226748,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(F)(F)F)cc4OC)ccn23)CC1,OENZMLWPFDNPDO-UHFFFAOYSA-N
rxn:4:212839:226986,CCCCSc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,ZRVVSZRGSPUFBA-UHFFFAOYSA-N
rxn:4:212839:227535,CCOc1cc(F)c(F)cc1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,CQHJBJAVWRGGNL-UHFFFAOYSA-N
rxn:4:213243:224115,COc1cc(OCc2ccccc2)ccc1-c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1,MFJLXOPWEFLYNW-UHFFFAOYSA-N
rxn:4:213471:224061,CCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)cc3)c(F)c2)CC1,BVYMTVICDYOZPM-UHFFFAOYSA-N
rxn:4:214078:223730,CCN1CCN(Cc2ccc(-c3ccc(COc4cc(C)ccc4C(C)C)cc3)cc2N2CCCCC2)CC1,WNGFXYATSBNTOK-UHFFFAOYSA-N
rxn:4:218769:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cc2)CC1,IMXSLYHIRNVZOH-MCZWQBSQSA-N
rxn:4:218775:225443,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(Oc5ccccc5)cc4)ccc32)CC1)N1CCCCCC1,GNSQPGAXZFWLQQ-UHFFFAOYSA-N
rxn:4:221121:225194,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(Cl)cn6)cc5)ccc43)CC2)CC1,XMNWSRTUVQXTFC-UHFFFAOYSA-N
rxn:4:221252:224877,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(COC3CCCCC3)cc2)cc1,JOSSUSPKSXQOSL-UHFFFAOYSA-N
rxn:4:221989:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN(C)C)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,DJQZFTYESIOLSH-YOCNBXQISA-N
rxn:4:221994:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,DFKRAZCUBCXGBQ-UHFFFAOYSA-N
rxn:4:222389:176431,Fc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(F)cc1OCC(F)(F)F,MOHMTYOWNYMTHM-UHFFFAOYSA-N
rxn:4:222542:185542,Cc1ccc(-c2ccc3c(c2)C(CN(C)C(=O)OC(C)(C)C)OCC3)cc1OCCCN1CCNCC1,KNKHCIIJTXKYOW-UHFFFAOYSA-N
rxn:5:189207:226971:227033,N#Cc1cc(-c2ccc(-c3ccc4c(c3)CCCOC4)cc2C(=O)ON2C(=O)CCC2=O)ccc1C1CC1,JKVQSPVFTLWXOU-UHFFFAOYSA-N
rxn:4:173451:222980,CC(C)(C)OC(=O)c1cc(OCC(F)(F)F)ccc1-c1ccc(CN2CCNCC2)cc1,UYMYUBFXXLDPRC-UHFFFAOYSA-N
rxn:4:173575:222730,CCCc1cc(-c2ccc(C(=O)CCCCC3OCC(C)(C)CO3)cc2)cc(C2CCNCC2)n1,QRCKGWPWGQTNPV-UHFFFAOYSA-N
rxn:4:173600:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)CC)cc12,KIZDRVCLXDUHJQ-UHFFFAOYSA-N
rxn:4:173641:222615,Cc1oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,ZNQOAGCFVZGDNN-UHFFFAOYSA-N
rxn:4:174480:223892,CN1CCN(CCCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4C(F)(F)F)c3)cc2)CC1,KBRXXGWGCBROBI-UHFFFAOYSA-N
rxn:4:184100:224865,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(CCN3CCCCC3)cc2)c1,UXQSDDOVQJRNLN-UHFFFAOYSA-N
rxn:4:186868:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(C(=O)OC)N(C)C)ccc3F)c(F)c2)CC1,RMFJAQJBPFXTNG-NCDNVGARSA-N
rxn:4:200863:222615,Cc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,DFTFIKNMABOUIF-VWLOTQADSA-N
rxn:4:200880:224209,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccc(F)cc5Cl)cc4)cc3)CC2)CC1,MMDQYAPBVRTEEN-UHFFFAOYSA-N
rxn:4:201150:226748,COc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2,CCBDFZNJHMFPJS-UHFFFAOYSA-N
rxn:4:201150:228005,CSc1cc(C)c(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1C,XSJMBCKRTRKFOI-UHFFFAOYSA-N
rxn:4:202284:224847,COc1ccc(-c2cc(C(C)(C)C)ccc2C(C)(C)C)cc1CN1CCC(N2CCCC2)CC1,JHTOAHVPVMWUQJ-UHFFFAOYSA-N
rxn:4:204100:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)N4CCCN(C5CCC5)CC4)c3)cc2)CC1,XQHHSHBTSPVNPM-RQNOJGIXSA-N
rxn:4:204140:223893,CCN1CCN(CCOc2cccc(-c3cc(CN4CCN(C)CC4)cc(C(C)(C)C)c3)c2)CC1,OWSWEXWGCDLSJT-UHFFFAOYSA-N
rxn:4:212740:222738,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(NCc4ccc(F)cc4)cc3)c2)CC1,QBXDFHJOHNGGHA-UHFFFAOYSA-N
rxn:4:212839:224867,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCC5CCCCC5)cc4)ccn23)CC1,PPNQJRUBDPWYRT-UHFFFAOYSA-N
rxn:4:212839:226146,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(SC5CCCC5)cc4)ccn23)CC1,HNTIHIRRSXGVCC-UHFFFAOYSA-N
rxn:4:212839:226550,CCCOc1c(F)cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1F,AKVZXDWPPLNUBI-UHFFFAOYSA-N
rxn:4:212839:227007,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(COC(C)C)c4)ccn23)CC1,YCYHKWFMFHXSCS-UHFFFAOYSA-N
rxn:4:212839:227220,CCOCSc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,JAPVQTZFIINXEA-UHFFFAOYSA-N
rxn:4:212839:227665,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(F)(F)F)c(C)c4)ccn23)CC1,FHJYFOPHUWFOGO-UHFFFAOYSA-N
rxn:4:213216:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(CC5CCCCO5)C4)nc3)cc2)CC1,IDXCFCMHLUEEAG-CXIKYLGASA-N
rxn:4:213243:224062,Cc1ccc(C)c(COc2cccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c2)c1,XVVGENSIOIYTTG-UHFFFAOYSA-N
rxn:4:221121:224861,CC(C)Oc1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc2c1,QHLQOKJWOIWBRA-UHFFFAOYSA-N
rxn:4:221121:224875,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(COc6ccccc6)cc5)ccc43)CC2)CC1,GLBGMZRHACTFAC-UHFFFAOYSA-N
rxn:4:221121:224913,Cc1cc(Oc2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,ARRFLLFNIDRFMK-UHFFFAOYSA-N
rxn:4:221121:225060,Cc1cccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)n2)c1,PNGBWWJRBPZHEB-UHFFFAOYSA-N
rxn:4:221121:226123,COCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C1CC1,DTZXEDKYILJCMX-UHFFFAOYSA-N
rxn:5:189829:226971:226154,COc1cc(C(C)(C)C)ccc1-c1cc(C(=O)N2CCCC2)cc(-c2ccc3c(c2)CCCOC3)c1OC,CMRSVEYHCTVVIL-UHFFFAOYSA-N
rxn:4:173456:222466,CC(C)(C)OC(=O)CC(=O)Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,RJJRQIYPYAGOCN-UHFFFAOYSA-N
rxn:4:173643:222958,COC(=O)c1c(C)oc2cc(-c3ccc(C)c(C4CCNCC4)c3)c(OCC(=O)C(C)(C)C)cc12,JNKVEQRNJPDEQG-UHFFFAOYSA-N
rxn:4:173675:222848,CCc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)(C)C)cc(C2CCCNC2)n1,BXOFNUFCWAQEMK-UHFFFAOYSA-N
rxn:4:174568:222615,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,KPCJKVVDLSNEOM-UHFFFAOYSA-N
rxn:4:176158:222611,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OC)cc2)CC1,QZZYIRLERIORRC-HZCBDIJESA-N
rxn:4:184023:222542,Cc1ccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCNCC1,ULSSCCRZMVZTHW-UHFFFAOYSA-N
rxn:4:199641:224867,CCN1CCN(CCCOc2cccc(-c3ccc(OCC4CCCCC4)cc3)c2)CC1,CUPFTEFJFASZFH-UHFFFAOYSA-N
rxn:4:200880:224148,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)ccc4OCc4cccc(F)c4)cc3)CC2)CC1,URFRNIXJIAJJKT-UHFFFAOYSA-N
rxn:4:201150:224540,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(OCc5ccc(F)cc5)c4)ccc3C2)CC1,QBCDIWZILJLXPF-UHFFFAOYSA-N
rxn:4:201150:227812,CC(C)Cc1cccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1,OBWJIWPOEDSAKJ-UHFFFAOYSA-N
rxn:4:202068:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC)c(S(=O)(=O)N4CCN(C)CC4)cc3OC)cc2)CC1,CEMBBESJUDDBCW-RQNOJGIXSA-N
rxn:4:202341:226174,CC(C)N1CCN(Cc2cc(-c3ccc(C4CCCCC4)nc3)cc(C(C)(C)C)c2)CC1,RFIONJAVPMIPGU-UHFFFAOYSA-N
rxn:4:203900:223847,CCCCCC1CCC(c2ccc(-c3cc(C(=O)N4CCN(C)CC4)ccc3OC)cc2)CC1,LZMRPKKXKJMDCH-UHFFFAOYSA-N
rxn:4:203958:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C)cc(C(=O)N4CCN(CC)CC4)c3)cc2)CC1,RELJPOWWVTUECJ-DIVCQZSQSA-N
rxn:4:212740:225087,CN(C)CCCOc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,ZNLUGXOWWZOWLP-UHFFFAOYSA-N
rxn:4:212839:224741,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC)cc(C5OCCO5)cc4OC)ccn23)CC1,PAXCIHOIWDHDKG-UHFFFAOYSA-N
rxn:4:212839:226051,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC(F)(F)F)ccc(F)c4F)ccn23)CC1,CPRZHCHTZBEVDM-UHFFFAOYSA-N
rxn:4:212839:226154,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)(C)C)cc4OC)ccn23)CC1,DFNWKGGYOYCJND-UHFFFAOYSA-N
rxn:4:212839:226605,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OC(C)C)cc4F)ccn23)CC1,KTQOUECOPRBWJT-UHFFFAOYSA-N
rxn:4:212839:226968,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)OC(C)(C)C5)ccn23)CC1,NHRYAKABPFEECJ-UHFFFAOYSA-N
rxn:4:212839:227013,CCOc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1CC,MXQNBIHCWASVPN-UHFFFAOYSA-N
rxn:4:212839:228341,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)F)cc4)ccn23)CC1,VBPSDOFLLWOJKE-UHFFFAOYSA-N
rxn:4:213265:225199,O=C(c1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,XOIJPTRAMVNJPY-UHFFFAOYSA-N
rxn:4:221121:224050,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCc1ccccc1,VRMAJWPHHFJEFS-UHFFFAOYSA-N
rxn:4:221121:224417,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)CC2)CC1,PXZHZEGVRLBVND-UHFFFAOYSA-N
rxn:4:221121:226197,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCOC6)cc5)ccc43)CC2)CC1,KNPQGVGVRBTMMW-UHFFFAOYSA-N
rxn:4:221121:226606,CC(C)Oc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1Cl,FVFXIUSZCMQJNI-UHFFFAOYSA-N
rxn:4:222991:184099,CC(c1ccc(-c2ccc(N3CCCC(O)C3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,BWOKUNJJHXLTOP-UHFFFAOYSA-N
rxn:4:173508:222616,COc1cc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)ccc1OCCOC1CCCCO1,XFWORJUXNFMCND-UHFFFAOYSA-N
rxn:4:173641:222389,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,DZLHWPZTTCGGSC-UHFFFAOYSA-N
rxn:4:173641:222630,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,YBXGRRWIBJRYCS-UHFFFAOYSA-N
rxn:4:173871:222389,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,MQUUDWQBGQPLCH-UHFFFAOYSA-N
rxn:4:185509:224496,CCN1CCN(Cc2cccc(-c3cc4c(cc3C(=O)OC)N(C(=O)OC(C)(C)C)CC4)c2)CC1,KTUSSXSTRBTLRO-UHFFFAOYSA-N
rxn:4:200425:224065,CCOC(=O)C1CCN(Cc2ccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)nc2)CC1,AJSVWKDHULHZET-UHFFFAOYSA-N
rxn:4:201150:224155,CN1CCN(c2cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc(C3CC3)c2)CC1,SIWSHVZEFQYZBN-UHFFFAOYSA-N
rxn:4:201150:224331,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)nc4)ccc3C2)CC1,VCZKUBALSDJOCL-UHFFFAOYSA-N
rxn:4:201150:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc2c(c1)CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C2,HCXGUSKUFHTJQC-UHFFFAOYSA-N
rxn:4:201778:224424,CCCC1CCC(c2ccc(-c3cccc(OCC(=O)N4CCN(C)CC4)c3)cc2)CC1,AUTREVROIXSRCC-UHFFFAOYSA-N
rxn:4:201953:224877,COC(=O)c1cc(-c2ccc(COC3CCCCC3)cc2)ccc1CN1CCN(C)CC1,BAGBANUHCDBTQR-UHFFFAOYSA-N
rxn:4:212839:223966,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)ccn23)CC1,QTKHJBXDTKJZDF-UHFFFAOYSA-N
rxn:4:212839:225574,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5CC5)cc4C(=O)OC)ccn23)CC1,PWMNNZDYURTLAI-UHFFFAOYSA-N
rxn:4:212839:226601,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC(C)C)ccc(F)c4F)ccn23)CC1,QDRCCURQKSZMLP-UHFFFAOYSA-N
rxn:4:212839:226983,CCCCOc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,PVDKRDUXCILNOF-UHFFFAOYSA-N
rxn:4:212839:227820,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)(C)C)cc4)ccn23)CC1,HIHMELXBWUZFED-UHFFFAOYSA-N
rxn:4:213126:224061,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)c(F)c2)CC1,VIFJVNGTZKWTFJ-UHFFFAOYSA-N
rxn:4:214852:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2)CC1,WREVXKIFJJVCHK-DIVCQZSQSA-N
rxn:4:221110:225079,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc5cc(OC(F)F)ccc5c4)cn3)CC2)CC1,YLIOBFIBFDWPRP-UHFFFAOYSA-N
rxn:4:221121:224519,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(Cl)c5OCc5ccccc5)ccc43)CC2)CC1,NEVPWJPDIMOFLN-UHFFFAOYSA-N
rxn:4:221121:225032,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccccc6F)cc5)ccc43)CC2)CC1,QHAUJTYSHXCZDW-UHFFFAOYSA-N
rxn:4:221193:224510,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCc5ccccc5)c(F)c4)cn3)C2)CC1,BKFLJXSCMNGYJR-UHFFFAOYSA-N
rxn:4:221995:224061,CCCC1CCC(c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(F)c2)CC1,GHBWRNJWAWKJRI-UHFFFAOYSA-N
rxn:4:222542:185112,Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCNCC1,RHTOUZQIGZGLPZ-UHFFFAOYSA-N
rxn:4:223841:176163,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c2)cc1,GHPMTENYGZQXLW-UHFFFAOYSA-N
rxn:4:173547:223952,CN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3OCc3ccccc3)cc2Cl)CC1,NEJBVMWAOKCIHO-UHFFFAOYSA-N
rxn:4:173578:222684,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)c1,QVFWZIMAOIVUQC-UHFFFAOYSA-N
rxn:4:173578:224125,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)c1,ICJSSFQEMHNYES-UHFFFAOYSA-N
rxn:4:173643:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)C(C)(C)C)cc(C2CCNCC2)n1,QYVVTLJGWXLDSQ-UHFFFAOYSA-N
rxn:4:173871:224325,COc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,JQDFKQXIPHZEHW-UHFFFAOYSA-N
rxn:4:188177:223753,Cc1ccc(-c2cc(F)c(OC(F)F)cc2[N+](=O)[O-])cc1OCCCN1CCN(C)CC1,XRRKRWDBDHGWLE-UHFFFAOYSA-N
rxn:4:199711:222615,CC(C)Cc1cc(-c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc(C2CCNCC2)c1,OYDIBQJTUZCENW-UHFFFAOYSA-N
rxn:4:200880:224144,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C)ccc4OCc4ccccc4F)cc3)CC2)CC1,XACFQUNCTPUSRD-UHFFFAOYSA-N
rxn:4:201150:222511,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(C(=O)NC5CCCCC5)cc([N+](=O)[O-])c4)ccc3C2)CC1,WHNQNUGSBJSIPS-UHFFFAOYSA-N
rxn:4:201150:222616,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(C5CCNCC5)cc(C(C)(C)C)c4)ccc3C2)CC1,VAXVLRCXMFIFFL-UHFFFAOYSA-N
rxn:4:201150:222832,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cccc(CNc5ccccc5)c4)ccc3C2)CC1,RXHIAGTYGLKXLW-UHFFFAOYSA-N
rxn:4:202008:224846,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCC(CC)CC2)cc1,QXDOKSKVWLRDGX-UHFFFAOYSA-N
rxn:4:212839:225448,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)ccc4OC4CCCC4)ccn23)CC1,PPSGQPMOQJDEJO-UHFFFAOYSA-N
rxn:4:212839:228610,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)(C)C)s4)ccn23)CC1,FNJJPAXZQHOOAA-UHFFFAOYSA-N
rxn:4:212843:226619,Cc1nc(N2CCCC2)ncc1-c1ccc(N2CCN(C)CC2)c2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2,PIOFLTOZUIJYKO-JGCGQSQUSA-N
rxn:4:219403:224877,O=C1C(N2CC(Cn3cc(-c4ccc(COC5CCCCC5)cc4)cn3)C2)CCN1C1CC1,RGXQZQRAGLHQIN-UHFFFAOYSA-N
rxn:4:219530:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)c(F)c2)CC1,BHRGQKCFRLUHCF-SWZCCTPQSA-N
rxn:4:221121:223807,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6cccc(C(F)(F)F)c6)cc5)ccc43)CC2)CC1,AKSCEQJQMGDQGP-UHFFFAOYSA-N
rxn:4:221121:224331,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-c6ccc(C(F)(F)F)cc6)nc5)ccc43)CC2)CC1,DLMPNHVVEISWEU-UHFFFAOYSA-N
rxn:4:221121:224540,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6ccc(F)cc6)c5)ccc43)CC2)CC1,VOOXWMPFBVXORY-UHFFFAOYSA-N
rxn:4:221121:226255,CCCCOc1ccc(Cl)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,IOPHPFSJVJPUBX-UHFFFAOYSA-N
rxn:5:190833:222982:226971,CC(C)(C)OC(=O)N1Cc2c(-c3ccc4c(c3)CCCOC4)ccc(-c3ccc(CN4CC[C@@H](O)C4)cc3)c2C1=O,NGTIIFMOVBTUCR-HHHXNRCGSA-N
rxn:4:173479:222389,CCOC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(OCc2ccccc2)c(F)c1F,CYZNVKITGIPIIH-UHFFFAOYSA-N
rxn:4:173578:223892,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,BEYHWVIGLRIQJI-UHFFFAOYSA-N
rxn:4:173871:222394,COc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1,CLJSUSMVZMAPNH-QAQDUYKDSA-N
rxn:4:173871:222395,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cccc(C(=O)NC2CCC(O)CC2)c1,MEUGSDHYENPGGB-UHFFFAOYSA-N
rxn:4:175812:222624,CC(C)Cc1cc(-c2ccc(C(=O)CCC3OCCCO3)cc2)cc(C2CCNCC2)n1,VUFNLCIHJMFALX-UHFFFAOYSA-N
rxn:4:185318:222615,CC(C)Cc1cc(-c2cc(C3CC3)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C2CCNCC2)c1,QQCWSIYPIMLSFH-UHFFFAOYSA-N
rxn:4:185495:222631,COC(=O)c1cn(C(=O)OC(C)(C)C)c2cc(-c3cc(C4CCNCC4)nc(C(C)(C)C)c3)ccc12,CUGGHWQQZYSUFD-UHFFFAOYSA-N
rxn:4:200880:224110,COc1ccc(COc2cccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c2)cc1,UBXUFMIMNVJSBG-UHFFFAOYSA-N
rxn:4:200884:223964,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc1)C2,FYFMKIKJHFHFHU-UHFFFAOYSA-N
rxn:4:201150:224235,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(F)c(F)cc4OCc4ccccc4)ccc3C2)CC1,NLJVZXMCMFCPGB-UHFFFAOYSA-N
rxn:4:201150:227809,CCCCc1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1,PZKSEVQAQGPEBP-UHFFFAOYSA-N
rxn:4:202008:224848,CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc([C@H]2CC[C@H](CC)CC2)cc1,QXDOKSKVWLRDGX-HZCBDIJESA-N
rxn:4:202086:222389,Cc1cc(S(=O)(=O)N2CCC(Oc3ccncc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)C2)ccc1F,OAPLLPAOCKUMPX-UHFFFAOYSA-N
rxn:4:204003:224176,CN(C)C1CCN(Cc2ccc(-c3ccc(OCCSC4CCOCC4)cc3)c(Cl)c2)CC1,RRBPTKUSPNYFDP-UHFFFAOYSA-N
rxn:4:207014:223847,CCCCCC1CCC(c2ccc(-c3cc(C)cc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,OPYJLZNGEMLQJL-UHFFFAOYSA-N
rxn:4:212839:224228,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5c(F)cccc5F)cc4)ccn23)CC1,PRLAOGBCIWZFAU-UHFFFAOYSA-N
rxn:4:212839:224297,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc([N+](=O)[O-])ccc4Sc4ccccc4)ccn23)CC1,UGXZYFXVZKAFCD-UHFFFAOYSA-N
rxn:4:212839:228553,CCSc1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,XMENREKJEYSBDW-UHFFFAOYSA-N
rxn:4:213481:223194,CCCNCc1ccc(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)cc1,QDDJOGCQFLKIEW-UHFFFAOYSA-N
rxn:4:214073:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N4C(=O)CC(N5CCN(Cc6ccccc6)CC5)C4=O)cc3)cc2)CC1,ICHSQEJYDQSHPH-KGNGEQPNSA-N
rxn:4:214086:224241,CC(C)N1CCN(Cc2ccc(-c3ccc(COc4cccc(F)c4F)cc3)cc2N2CCCCC2)CC1,KMKOGHQJXLQYAA-UHFFFAOYSA-N
rxn:4:214682:224423,CCC[C@H]1CC[C@H](c2ccc(-c3nc(C(=O)N4CCN(CC)CC4)ccc3F)cc2)CC1,VXZWWSMCUGYVKP-MEMLXQNLSA-N
rxn:4:221110:223728,CCCCCC1CCC(c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)c(F)c2)CC1,MRMXHADSLGQLMD-UHFFFAOYSA-N
rxn:4:222542:174376,COc1cc(C(=O)OC(C)(C)C)cc(OC)c1-c1ccc(C)c(OCCCN2CCNCC2)c1,LTGRAPVOOUGBCT-UHFFFAOYSA-N
rxn:4:173551:224080,CC(C)(C)OC(=O)c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)c1,AGWYSDJLGQDJHG-UHFFFAOYSA-N
rxn:4:173553:223897,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCOCC1,ANMSIBRJSOKEPR-UHFFFAOYSA-N
rxn:4:182375:222389,CC1(C)COCC(C2CC(=O)c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3O2)C1,AFADBNDMUHYEEE-UHFFFAOYSA-N
rxn:4:200880:226709,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(C)cc(C(F)(F)F)cc4C)cc3)CC2)CC1,ZEACGXPZBWWQCT-UHFFFAOYSA-N
rxn:4:201150:224354,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(F)c(Oc5cccc(F)c5)c(F)c4)ccc3C2)CC1,OHUPEOAKZRTHPY-UHFFFAOYSA-N
rxn:4:201949:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)OC)c(CN4CCN(C)CC4)c3)cc2)CC1,ATCSJJVRJJBHLA-YHBQERECSA-N
rxn:4:212745:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,WQEYCRQJFSABEW-NWKHJAAOSA-N
rxn:4:212839:222736,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CNc5ccc(F)cc5)cc4)ccn23)CC1,ZCSCSDOBMNCPNV-UHFFFAOYSA-N
rxn:4:212839:222960,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)cc(C5CCNCC5)c4)ccn23)CC1,RSPRCBWJNLHEAL-UHFFFAOYSA-N
rxn:4:212839:224296,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)ccn23)CC1,AOSAQZVFSMSQEL-UHFFFAOYSA-N
rxn:4:212839:224562,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccccc5)cc4OC)ccn23)CC1,BNTXBKLEPJINPN-UHFFFAOYSA-N
rxn:4:212839:226535,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)cc(C(=O)OC)c4)ccn23)CC1,ITFRNBFOPJPHIU-UHFFFAOYSA-N
rxn:4:212839:227045,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(SC(C)(C)C)c4)ccn23)CC1,BEOBVETXXGSTMC-UHFFFAOYSA-N
rxn:4:213243:224149,Cc1c(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)ccc(OCc2ccccc2)c1Cl,ZKMDEHRSEYJONJ-UHFFFAOYSA-N
rxn:4:214063:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4c(C)cc(C(=O)CN5CCN(C)CC5)c4C)cc3)cc2)CC1,PGWXCTFQWIAHKH-QVYRIUEQSA-N
rxn:4:215142:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(C)CC4)c3)cc2)CC1,XLPUAMUALRDJRA-DIVCQZSQSA-N
rxn:4:221110:223716,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc5ccccc5c4OCc4ccccc4)cn3)CC2)CC1,PLRHWVTWYCWXPV-UHFFFAOYSA-N
rxn:4:221110:224450,Cc1cccc(COc2ccccc2-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)c1,UJEWCFAAENABAZ-UHFFFAOYSA-N
rxn:4:221121:223800,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(OCc6ccccc6)cc(C(F)(F)F)c5)ccc43)CC2)CC1,SEWXMOIGQDHFCJ-UHFFFAOYSA-N
rxn:4:221121:224044,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CCOCc6ccccc6)cc5)ccc43)CC2)CC1,NBZVSVFVGZENQX-UHFFFAOYSA-N
rxn:4:221121:224780,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCOC6)c(C(F)(F)F)c5)ccc43)CC2)CC1,HVXGZTVAJHIQDR-UHFFFAOYSA-N
rxn:4:221121:226116,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1OCC1CC1,UDWWKJCRPBNRID-UHFFFAOYSA-N
rxn:4:222622:184056,CCC(C)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc(C2CCCNC2)n1,KZUDONKZFDRBBC-UHFFFAOYSA-N
rxn:4:176163:223786,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)cc1,JYCUSNQGECSEPF-UHFFFAOYSA-N
rxn:4:176355:223497,CC(c1ccc(-c2ccc(OCCF)c(Cl)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PFNFOJOADDBHBR-UHFFFAOYSA-N
rxn:4:184020:222542,Cc1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C)c2)cc1OCCCN1CCNCC1,GACDDVRSAOJKNO-MHZLTWQESA-N
rxn:4:200591:222466,Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1OCCCN1CCN(C)CC1,BMBUOJFIDLZHCH-UHFFFAOYSA-N
rxn:4:200880:224354,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)c(Oc5cccc(F)c5)c(F)c4)cc3)CC2)CC1,OSRSSAMGCRRIMP-UHFFFAOYSA-N
rxn:4:201150:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1,SZZBHANHAUKOBT-UHFFFAOYSA-N
rxn:4:202068:226120,CCCOc1cc(C)c(-c2cc(OC)c(S(=O)(=O)N3CCN(C)CC3)cc2OC)c(C)c1,ZOYPURKYAUSAAU-UHFFFAOYSA-N
rxn:4:212839:224209,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccc(F)cc5Cl)cc4)ccn23)CC1,DAYXUBAJUGGPLV-UHFFFAOYSA-N
rxn:4:212839:224222,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OCc5ccccc5)c(F)c4)ccn23)CC1,GARHFYNBGSVGPM-UHFFFAOYSA-N
rxn:4:212839:224554,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCc5ccccc5)c4F)ccn23)CC1,MPDJLCDOCRUCJJ-UHFFFAOYSA-N
rxn:4:212839:225767,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OCC(C)C)c(F)c4)ccn23)CC1,ZUBMXDRIOLLAOT-UHFFFAOYSA-N
rxn:4:212839:226918,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C5=CCCC5)cc4)ccn23)CC1,INPVNJKGAWBGQK-UHFFFAOYSA-N
rxn:4:212839:228170,CCOc1ccc(F)cc1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,FKSBGHNPOBTYRG-UHFFFAOYSA-N
rxn:4:213182:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCN(C(=O)Cc5ccc(C)cc5)CC4)nc3)cc2)CC1,CRFDJVRMOOXMQZ-DUYHBEBVSA-N
rxn:4:213265:223862,CCCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c(F)c2)cc1,AVSBRUWDVPYZCR-UHFFFAOYSA-N
rxn:4:214079:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)cc2)cc1,OLJNUDBFARZKCZ-UHFFFAOYSA-N
rxn:4:221121:224235,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(F)cc5OCc5ccccc5)ccc43)CC2)CC1,FSSZWEZQBGCJGD-UHFFFAOYSA-N
rxn:4:221121:225477,Cc1cccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)c1,CSIZEQDQJNACHV-UHFFFAOYSA-N
rxn:4:221121:225618,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OC6CCCCO6)c5)ccc43)CC2)CC1,DDTAMQSNRJGBSP-UHFFFAOYSA-N
rxn:4:221121:226118,CCC(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,IUWKBOHVHJNDPM-UHFFFAOYSA-N
rxn:4:221538:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,INVUFBBFGNZSSU-IVCFNLRISA-N
rxn:4:222254:224061,CCCC1CCC(c2ccc(-c3cnc(N4CCC(COc5cc(-n6nc(C)cc6C)ncn5)CC4)nc3)c(F)c2)CC1,BDSKVEVLBHPCQK-UHFFFAOYSA-N
rxn:4:222622:174428,CCC(C)c1cc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)cc(C2CCCNC2)n1,VWAOJRICTQVDBN-UHFFFAOYSA-N
rxn:4:222623:176953,CCC(C)c1cc(-c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)cc(C2CCNCC2)n1,HWVBVPHEZKORNJ-UHFFFAOYSA-N
rxn:4:173372:222397,O=C(NCCc1c[nH]cn1)c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1,LINDUKYMHICJHG-UHFFFAOYSA-N
rxn:4:174450:222542,Cc1ccc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)OC(C)(C)C)c2)cc1OCCCN1CCNCC1,SHHMAQPESSJFQU-RUZDIDTESA-N
rxn:4:187655:224061,CCCC1CCC(c2ccc(-c3cc(CN(C)C4CCCC4)cc(C(C)(C)C)c3)c(F)c2)CC1,CRLIBCNEVQNLAW-UHFFFAOYSA-N
rxn:4:201150:223521,CC(c1cccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1)N1CCN(C(=O)OC(C)(C)C)CC1,PSOSAUVOOUMCAE-UHFFFAOYSA-N
rxn:4:201150:224552,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(F)cc(COC5CCCCC5)c4)ccc3C2)CC1,RKYRRXSQNMSHKQ-UHFFFAOYSA-N
rxn:4:201150:224846,CCC1CCC(c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,DTSHAQITEOZKAF-UHFFFAOYSA-N
rxn:4:201150:227121,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4ccc(C(C)(C)C)cc4Cl)ccc3C2)CC1,UUMWWQPKSFQQRB-UHFFFAOYSA-N
rxn:4:201151:222621,CC(C)Cc1cc(-c2ccc3c(c2)CCN(CC2CCCN(C(=O)OC(C)(C)C)C2)C3)cc(C2CCCNC2)n1,GJDHFOQCVRAKCQ-UHFFFAOYSA-N
rxn:4:202284:223945,COc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1CN1CCC(N2CCCC2)CC1,DMKFGEICZICYRV-UHFFFAOYSA-N
rxn:4:202341:224670,CC(C)N1CCN(Cc2cc(-c3cc(CN4CCN(C)CC4)ccc3F)cc(C(C)(C)C)c2)CC1,FNEZLJGOSMBKJV-UHFFFAOYSA-N
rxn:4:202351:224667,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc2)CC3)ccc1F,YHBHLOAKULEYGO-UHFFFAOYSA-N
rxn:4:204151:223753,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCCCC3)c2)cc1OCCCN1CCN(C)CC1,BJNNVIGQUDEJSJ-UHFFFAOYSA-N
rxn:4:212748:224702,Cc1c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(F)c(OC2CCCC2)c1F,NYQMJAGGKJXDKO-UHFFFAOYSA-N
rxn:4:212839:224510,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccccc5)c(F)c4)ccn23)CC1,HLYLUFWUSOXKCL-UHFFFAOYSA-N
rxn:4:212839:225432,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(COC5CCCC5)c4)ccn23)CC1,DCTRTMNLDNEFNH-UHFFFAOYSA-N
rxn:4:212839:226783,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC)cc(F)c(F)c4OC)ccn23)CC1,DLGAJYXHMQLFIO-UHFFFAOYSA-N
rxn:4:212839:227863,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)CCCO5)ccn23)CC1,BESAJMYITBLSPP-UHFFFAOYSA-N
rxn:4:219759:224061,CCCC1CCC(c2ccc(-c3ccc(C4Cn5nc(C(=O)N6CCN(CC)CC6)cc5CO4)cc3)c(F)c2)CC1,QWKFFEBYKMUNHI-UHFFFAOYSA-N
rxn:4:221929:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,JSXOOMVWTPTORV-KWQFAZJVSA-N
rxn:4:221929:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)cc2)CC1,BSBUNQMBYLMTCX-UNWRIRMBSA-N
rxn:4:221994:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2)CC1,DFKRAZCUBCXGBQ-FBSWEULCSA-N
rxn:4:222542:174520,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(S(C)(=O)=O)c3)c2)cc1OCCCN1CCNCC1,JWHQLJAOOTWVKH-UHFFFAOYSA-N
rxn:4:173531:224127,CCN1CCN(C(C)c2ccc(-c3cc(OCC(C)C)cc(C(=O)OC(C)(C)C)c3)cc2)CC1,BAZKROWWJJVQMQ-UHFFFAOYSA-N
rxn:4:200562:223753,CCN1CCN(Cc2cc(C(=O)OC)ccc2-c2ccc(C)c(OCCCN3CCN(C)CC3)c2)CC1,HNCMAKLFRGXJBI-UHFFFAOYSA-N
rxn:4:200858:223812,CC(C)N1CCN(Cc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2Oc2ccccc2)CC1,QAEKAPAERVVZNI-UHFFFAOYSA-N
rxn:4:200880:224217,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccccc5)c(F)c4F)cc3)CC2)CC1,UPCXOLRLESICEX-UHFFFAOYSA-N
rxn:4:200885:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCC(C(=O)OC)CC4)c(N4CCCCC4)c3)cc2)CC1,YCSUIVZAULCKKP-UHFFFAOYSA-N
rxn:4:201150:224921,Cc1ccc(-c2ccc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)cc2F)cc1,FXBXBGLQANVWSV-UHFFFAOYSA-N
rxn:4:201795:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)c(Cl)c3)cc2)CC1,FVRVMVVUSBWBTL-HZCBDIJESA-N
rxn:4:202727:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(N5CCc6sccc6C5)CC4)cc3)cc2)CC1,HJRVQFDRGKDXSB-UNWRIRMBSA-N
rxn:4:212839:224929,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC)cc5ccccc5c4OC)ccn23)CC1,VPTCCKVDQQEHJL-UHFFFAOYSA-N
rxn:4:212839:227014,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(SCC(C)C)c4)ccn23)CC1,UMZQRLBPVUYUHS-UHFFFAOYSA-N
rxn:4:212839:227063,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C)cc4OC(C)C)ccn23)CC1,MIMXLCQAWUZCQI-UHFFFAOYSA-N
rxn:4:212839:227337,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)ccc4OC(C)C)ccn23)CC1,ZCVDBGJDUFDMKK-UHFFFAOYSA-N
rxn:4:212839:228154,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(OC)cccc4OC)ccn23)CC1,ZHMZPVLYYGAJAY-UHFFFAOYSA-N
rxn:4:219569:224562,COc1cc(Oc2ccccc2)ccc1-c1cc([N+](=O)[O-])c(OC)cc1N1CCC(N2CCN(C)CC2)CC1,OLEJKVBYVBBKAS-UHFFFAOYSA-N
rxn:4:221121:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,ODTGWTKAOKBIPY-UHFFFAOYSA-N
rxn:4:221121:224804,CC(C)Oc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OC(F)(F)F,KLCMTVHXWKXXJG-UHFFFAOYSA-N
rxn:4:221121:226995,CC(C)CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,UJOKMBUYNYCQHS-UHFFFAOYSA-N
rxn:4:221538:224853,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1,JQUZMCQDRHZUGU-UHFFFAOYSA-N
rxn:4:221986:224964,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COC4CCOCC4)cc3)cc2)CC1,FFQNCVPWVXSWBB-UHFFFAOYSA-N
rxn:4:222542:174315,CCOc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(C)c(OCCCN2CCNCC2)c1,SLKCVAGUMYQFMZ-UHFFFAOYSA-N
rxn:5:190833:222986:226154,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cc(C)nc(C3CCCNC3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,HWCYLQLECPXNRV-UHFFFAOYSA-N
rxn:4:173531:223787,CC(C)COc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c1,COSFGBQOGGYESW-UHFFFAOYSA-N
rxn:4:173572:222588,CC(C)(C)OCc1cc(COC(C)(C)C)cc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)c1,OTRVJBLHTLWQDQ-UHFFFAOYSA-N
rxn:4:173871:222393,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1,MEUGSDHYENPGGB-QAQDUYKDSA-N
rxn:4:184274:224286,N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(OCCN2CCOCC2)c(Cl)c1,NPOBQJLWNQHPTN-UHFFFAOYSA-N
rxn:4:200591:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)c2)CC1,CYTSWISTYJPMAA-UHFFFAOYSA-N
rxn:4:200811:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(C)(C)C)ccc3OCC(=O)N3CCN(C)CC3)cc2)CC1,QCOGGRRZAFAQBW-SOAUALDESA-N
rxn:4:200880:224221,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(OCc5ccccc5)ccc(F)c4F)cc3)CC2)CC1,APVPMUOLXAPDBG-UHFFFAOYSA-N
rxn:4:200882:224626,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(COCc4cccs4)c(F)c3)c1)C2,XMJXNIJSBIDQTQ-UHFFFAOYSA-N
rxn:4:202275:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5CCC(OC)C5)CC4)c3)cc2)CC1,MPPCWPKUMOZUPV-RSSXGHEXSA-N
rxn:4:202306:223894,CCN1CCN(Cc2cc(-c3cccc(OCCCN4CCN(C)CC4)c3)cc(C(C)(C)C)c2)CC1,SMVGRBSWACCHBE-UHFFFAOYSA-N
rxn:4:207091:226605,CC(C)Oc1cc(F)c(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)cc1F,LNTMUIWSHUDNPT-UHFFFAOYSA-N
rxn:4:212745:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,LFTYLGOMQJQLJN-UHFFFAOYSA-N
rxn:4:212839:224217,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccccc5)c(F)c4F)ccn23)CC1,MDNQMUGDFZWQEK-UHFFFAOYSA-N
rxn:4:212839:227566,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(F)c4OC)ccn23)CC1,MCKUIGOXWXLTNV-UHFFFAOYSA-N
rxn:4:212839:227587,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OC)c(OC)c4)ccn23)CC1,OURZUOIKODKHQO-UHFFFAOYSA-N
rxn:4:213924:223753,Cc1ccc(-c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)cc1OCCCN1CCN(C)CC1,XPOJRCRTUDLMKP-UHFFFAOYSA-N
rxn:5:189207:226154:222986,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cc(C)nc(C3CCCNC3)c2)c(C(=O)ON2C(=O)CCC2=O)c1,MTKWTAYBEIHDDW-UHFFFAOYSA-N
rxn:4:173640:224570,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(C)N4CCN(C)CC4)cc3)c(OCc3c(F)c(F)c(F)c(F)c3F)cc12,DJJPPGJHXXQRRG-UHFFFAOYSA-N
rxn:4:199655:224884,CC1CCN(Cc2cccc(-c3ccccc3CCC(=O)N3CC(CN4C(=O)CCC4=O)C3)c2)CC1,FWOCOYDVKPBPPH-UHFFFAOYSA-N
rxn:4:200561:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(C(=O)OC)c3)cc2)CC1,JLHBHARTXLQTCW-UHFFFAOYSA-N
rxn:4:200880:227668,COc1c(F)cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)c(C)c1F,AYCIDOFMJAIFCK-UHFFFAOYSA-N
rxn:4:202065:223522,COc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(OC)c1CN1CCN(C)CC1,SZDFPBSKFJCFRN-UHFFFAOYSA-N
rxn:4:202168:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCC5)C4)cc3)cc2)CC1,XWWACIIVBNGDJI-UHFFFAOYSA-N
rxn:4:202266:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCOC(C(=O)N5CCCCC5)C4)cc3)cc2)CC1,YGHNJJRWNQBJQX-SNOFGSQBSA-N
rxn:4:212745:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,KDMIUYLIOGBPAI-CCZUJOCFSA-N
rxn:4:212839:224494,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CCOC5CCCCO5)cc4)ccn23)CC1,JVYSLKADCXMRRG-UHFFFAOYSA-N
rxn:4:212839:225770,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCC5CC5)cc4F)ccn23)CC1,FRNYRXLOOZIDEM-UHFFFAOYSA-N
rxn:4:212839:227591,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(F)F)cc4OC)ccn23)CC1,VNWGITRGWBUPRK-UHFFFAOYSA-N
rxn:4:212839:228066,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)OCCO5)ccn23)CC1,GIHUETQMZACBAO-UHFFFAOYSA-N
rxn:4:212839:228115,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(C)C)nc4)ccn23)CC1,ZMPXZOJLKPCNHD-UHFFFAOYSA-N
rxn:4:221121:223477,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)cn5)ccc43)CC2)CC1,SJTQYJHJVZTKIY-UHFFFAOYSA-N
rxn:4:221121:223636,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CCCN(C(=O)OC(C)(C)C)C6)cc5)ccc43)CC2)CC1,GYEJDLNIKGOXSY-UHFFFAOYSA-N
rxn:4:221121:225453,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(SC6CCCCC6)c5)ccc43)CC2)CC1,LGFQCCFNICGCHM-UHFFFAOYSA-N
rxn:4:222542:176118,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(Cl)c3F)c2)cc1OCCCN1CCNCC1,CLJRNVJBAIMQPW-UHFFFAOYSA-N
rxn:4:173508:222538,COc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1OCCOC1CCCCO1,NKADBIGDUNXBJR-UHFFFAOYSA-N
rxn:4:173578:224199,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCN(C(C)=O)CC3)cc2)c1,IVXZDKYSQBWRLV-UHFFFAOYSA-N
rxn:4:173579:224171,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCCC4)c(F)c3)c2)c1,ACAGVPPACRVEGI-UHFFFAOYSA-N
rxn:4:173606:224570,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1ccc(C(C)N2CCN(C)CC2)cc1,UMKFDKMNXRBBNM-UHFFFAOYSA-N
rxn:4:173705:222729,CCCC(=O)c1cc2c(oc1=O)c(-c1cc(CCC)nc(C3CCCNC3)c1)cc1oc(C)c(C(=O)OCC)c12,UFHYFWWHUWXFFJ-UHFFFAOYSA-N
rxn:4:174548:222623,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,BFOHVUGAVYBKQH-UHFFFAOYSA-N
rxn:4:174593:222851,CCc1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)(C)C)cc(C2CCNCC2)n1,FDPZECVBGKNNQE-UHFFFAOYSA-N
rxn:4:185439:223895,CCN1CCN(CCOc2ccc(-c3cc(C4CC4)cc(C4CCN(C(=O)OC(C)(C)C)CC4C)c3)cc2)CC1,UJWQCXPTFHHIEI-UHFFFAOYSA-N
rxn:4:199596:224670,CN1CCN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(CN3CCN(C)CC3)ccc2F)CC1,GNGLVPYSZUAWDR-UHFFFAOYSA-N
rxn:4:200880:224219,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(F)ccc(OCc5ccccc5)c4Cl)cc3)CC2)CC1,USZPKRPEZPSTGY-UHFFFAOYSA-N
rxn:4:213266:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(C(C)C)CC4)n3)cc2)CC1,WYFPXIBEXJDICZ-RQNOJGIXSA-N
rxn:4:214059:224053,Cc1cc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cc(C)c1OCc1ccccc1,WSLGMWJXOHSBKV-UHFFFAOYSA-N
rxn:4:221121:226184,Cc1ccc(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)s2)cc1,YSOFXTLDXLQAKW-UHFFFAOYSA-N
rxn:4:221193:223798,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(COc5cccc(C(F)(F)F)c5)cc4)cn3)C2)CC1,SMRBLLPPIPYAJF-UHFFFAOYSA-N
rxn:4:221455:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)cc2)CC1,FBVFAJUUIXLZEI-WXUXXXNLSA-N
rxn:4:222621:187186,CCOC(=O)c1cc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)ccc1N1CCCCC1,OEJABPNHWJZDAJ-UHFFFAOYSA-N
rxn:5:190200:225450:227491,CN(Cc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cnc(OC3CCC3)nc2)c1)C1CCOCC1,GSWLKTLZOOYJSF-UHFFFAOYSA-N
rxn:4:173572:224178,CN1CCN(CCOc2cccc(-c3cc(COC(C)(C)C)cc(COC(C)(C)C)c3)c2)CC1,AUAHXGGVKVJJCA-UHFFFAOYSA-N
rxn:4:173641:222855,COc1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)c1,TWKOBOBSJBTHCO-UHFFFAOYSA-N
rxn:4:174517:224659,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc2)CC1,DRSVYRXCVBWNRL-UHFFFAOYSA-N
rxn:4:176165:223787,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)c2)c1,LXRPXEXCIZQTAE-UHFFFAOYSA-N
rxn:4:184835:224194,CCN1CCN(Cc2ccc(-c3cc(C(=O)N(CC)CC)cc(Cl)c3OC)cc2Cl)CC1,MXVWOYWFYAJYFA-UHFFFAOYSA-N
rxn:4:199815:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(=O)c5ccc(OC)c(OC)c5)CC4)cc3)cc2)CC1,ONFSXVUYCJLJSP-KWQFAZJVSA-N
rxn:4:200644:223562,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2OC)CC1,ITMWFNLVTSWMAP-UHFFFAOYSA-N
rxn:4:201150:224861,CC(C)Oc1ccc2cc(-c3ccc4c(c3)CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C4)ccc2c1,RRQIITHNLCBQRN-UHFFFAOYSA-N
rxn:4:201944:222615,CCOC(=O)c1ccc(N2CCN(C)CC2)c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)c1,RDRLVVRYIMATSZ-UHFFFAOYSA-N
rxn:4:204032:224877,CN1CCN(C(=O)C2(c3ccc(-c4ccc(COC5CCCCC5)cc4)cc3)CC2)CC1,GJYWKVHYDIWKEP-UHFFFAOYSA-N
rxn:4:212839:226097,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(COCC5CC5)cc4)ccn23)CC1,MFOMGSNGCWPFDX-UHFFFAOYSA-N
rxn:4:212839:227811,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CC(C)C)cc4)ccn23)CC1,ONQQCLFAZTWIFH-UHFFFAOYSA-N
rxn:4:214862:224061,CCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)c(F)c2)CC1,UEIIYUVTTJFNSL-UHFFFAOYSA-N
rxn:4:214900:226886,CN1CCN(Cc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2N2CCCCC2)CC1,FNQZBOGWADRQCC-UHFFFAOYSA-N
rxn:4:221121:223733,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCc6ccc(C(C)(C)C)cc6)c5)ccc43)CC2)CC1,ALRSLIQXHZEWOA-UHFFFAOYSA-N
rxn:4:221121:225487,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cc(-c6ccccc6)c5)ccc43)CC2)CC1,QQAJSUDBEKKFJP-UHFFFAOYSA-N
rxn:4:221121:226967,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6cc(Cl)ccc6c5)ccc43)CC2)CC1,GPJLDBSITLSEGH-UHFFFAOYSA-N
rxn:4:222389:175343,COC(=O)c1cc(Cl)c(OC(C)C)c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,KTLQDOIPMLTVLJ-UHFFFAOYSA-N
rxn:4:173579:223951,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)c2)c1,LJFBCONHEOFRTE-UHFFFAOYSA-N
rxn:4:174485:222465,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,OERCEFDULAXBCX-UHFFFAOYSA-N
rxn:4:174495:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4OC)c3)cc2Cl)CC1,MSHGFXXFZKPHLT-UHFFFAOYSA-N
rxn:4:176162:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(C)c4)c3)cc2Cl)CC1,PKIPXGYVJXAQPL-UHFFFAOYSA-N
rxn:4:187360:222615,COc1cc(CN(C)C2CCOCC2)ccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,IYQNPNUHRIPIKB-UHFFFAOYSA-N
rxn:4:201150:226781,Cc1cc(OC(F)(F)F)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1,YCWWLZMGTVXUIC-UHFFFAOYSA-N
rxn:4:212743:224214,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cc(F)ccc4OCc4ccc(Cl)cc4)cc3)CC2)CC1,HSPHCJBGRNSTHO-UHFFFAOYSA-N
rxn:4:212839:224336,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCCCC5)cc4C(F)(F)F)ccn23)CC1,NSKPXBFYTIRZGN-UHFFFAOYSA-N
rxn:4:212839:224701,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccc(F)cc5F)cc4)ccn23)CC1,FJUGVWCONCUADJ-UHFFFAOYSA-N
rxn:4:212839:226282,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCC(C)C)c4F)ccn23)CC1,LFYCESTUWSBMMY-UHFFFAOYSA-N
rxn:4:212843:226886,CN1CCN(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,DSENCANHUYICCX-MUUNZHRXSA-N
rxn:4:213266:224044,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(CCOCc4ccccc4)cc3)n2)CC1,RVTYDLXIFDVVLF-UHFFFAOYSA-N
rxn:4:221121:224443,Cc1cc(OCc2ccccc2)ccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,OYFHLYWNTRCYDR-UHFFFAOYSA-N
rxn:4:221121:224699,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6cc(F)cc(F)c6)cc5)ccc43)CC2)CC1,BMMVPAAOUUJOOU-UHFFFAOYSA-N
rxn:4:221121:226106,Cc1cc(OCC(C)C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,JAYMNNMKOWGNFL-UHFFFAOYSA-N
rxn:4:221121:226240,COC(=O)CCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,CTIVJZWDNXBDLB-UHFFFAOYSA-N
rxn:4:221121:227708,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OC(F)(F)F)cc5)ccc43)CC2)CC1,ZDPVJUOEOCPKJN-UHFFFAOYSA-N
rxn:5:190833:222986:229163,COc1cc(-c2ccc(-c3cc(C)nc(C4CCCNC4)c3)c3c2CN(C(=O)OC(C)(C)C)C3=O)cnn1,LSMSICLNHGBHPB-UHFFFAOYSA-N
rxn:4:173590:222980,CCCCOc1c(-c2ccc(CN3CCNCC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,BYRGBYVOWQPBAO-UHFFFAOYSA-N
rxn:4:174491:222623,CCC(C)c1cc(-c2ccc(C(=O)CCCC3OCC(C)(C)CO3)cc2)cc(C2CCNCC2)n1,MAVOXGMZBAPJCS-UHFFFAOYSA-N
rxn:4:178371:222615,COc1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc(C(C)(C)C)cc1C(C)(C)C,RSAFTHUWAAXHMC-UHFFFAOYSA-N
rxn:4:183983:223895,CCN1CCN(CCOc2ccc(-c3ccc(C)c(CN(C(=O)OC(C)(C)C)C(C)C)c3)cc2)CC1,HETWMADJZVSLPP-UHFFFAOYSA-N
rxn:4:202109:224056,CCC[C@H]1CC[C@H](c2ccc(-c3c(C)cc(OCC(=O)N4CCN(C)CC4)cc3C)c(F)c2)CC1,PVPIUQNMMTZMFT-RQNOJGIXSA-N
rxn:4:202341:224080,CC(C)N1CCN(Cc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc(C(C)(C)C)c2)CC1,IKKWIXBUMCFUQW-UHFFFAOYSA-N
rxn:4:204070:224061,CCCC1CCC(c2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)ccc3C)c(F)c2)CC1,HMRICBXKIMOVCO-UHFFFAOYSA-N
rxn:4:204720:224424,CCCC1CCC(c2ccc(-c3cc(CN4CCN(CC)CC4)cc4c3OCC4)cc2)CC1,CPDWNPFZLZXMMZ-UHFFFAOYSA-N
rxn:4:212839:222700,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(F)(F)F)cc4C4CCCNC4)ccn23)CC1,HSYGORRTMAUMOG-UHFFFAOYSA-N
rxn:4:212839:225621,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC5CCOC5)c(C)c4)ccn23)CC1,HGLICCUEJXYXKA-UHFFFAOYSA-N
rxn:4:212839:227059,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(C(C)C)c4)ccn23)CC1,HXOGAJLMMCYJGB-UHFFFAOYSA-N
rxn:4:212839:227355,CCOc1ccc(C)c(F)c1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,OBXQUIOPSXVVHC-UHFFFAOYSA-N
rxn:4:212843:226757,Cc1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)ccc1OC(F)(F)F,QWOOBRHPZLSYTK-WJOKGBTCSA-N
rxn:4:212843:226843,CN1CCN(c2ccc(-c3ccc(C(=O)C(F)(F)F)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,JZLQDXRUYOVHOM-GDLZYMKVSA-N
rxn:4:213387:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)ncn4CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,OYCQXLBWTVHBTI-FBSWEULCSA-N
rxn:4:221110:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(OCC#CCN5CCN(C)CC5)CC4)nc3)c(F)c2)CC1,IIOVVLSBYHPIJA-MCZWQBSQSA-N
rxn:4:222389:199707,CC(C)(C)OC(=O)N1CCCC(CSc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)n2)C1,JOQXLHRITXJPDC-UHFFFAOYSA-N
rxn:5:190131:222986:225607,COc1c(-c2cc(C)nc(C3CCCNC3)c2)cc(C(=O)N2CCCCC2)cc1-c1ccc(C(C)N2CCCCC2)s1,JVXJLRKYZNSNGU-UHFFFAOYSA-N
rxn:4:180528:222631,CC(C)(C)c1cc(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)cc(C2CCNCC2)n1,KEJKGVQFLOQFDV-UHFFFAOYSA-N
rxn:4:184096:223892,CN1CCN(CCCOc2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2)CC1,UVBXUCIOJZBBLT-UHFFFAOYSA-N
rxn:4:184184:224126,CCOC(=O)c1cc2cc(-c3cccc(C(C)N4CCN(CC)CC4)c3)ccc2n1CCC1CCCCC1,QQZAUKBSAKOAGY-UHFFFAOYSA-N
rxn:4:185542:222616,CN(CC1OCCc2ccc(-c3cc(C4CCNCC4)cc(C(C)(C)C)c3)cc21)C(=O)OC(C)(C)C,YZMPRZGFUKTPPH-UHFFFAOYSA-N
rxn:4:187676:224424,CCCC1CCC(c2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2)CC1,DCDBCPVZRMBVQR-UHFFFAOYSA-N
rxn:4:200880:223905,COc1cc(-c2ccc(CC(=O)N3CCC(N4CCC(OC)CC4)CC3)cc2)cc(Cl)c1OCc1ccccc1,QEABFYXRAOIVGN-UHFFFAOYSA-N
rxn:4:200880:224434,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(COCc5ccccc5)cc4)cc3)CC2)CC1,MRNXRPJDWSTUBP-UHFFFAOYSA-N
rxn:4:202274:223872,CCN(C(=O)c1cccc(-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)c1)C1CCCCC1,YSQGMZFGVCUOLA-SAIUNTKASA-N
rxn:4:202284:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC)c(CN3CCC(N4CCCC4)CC3)c2)CC1,NYAPPNIWYHDEAO-UHFFFAOYSA-N
rxn:4:202341:226452,CC(C)N1CCN(Cc2cc(-c3ccc(C4OCCCO4)cc3)cc(C(C)(C)C)c2)CC1,XRKSCMFSDRGTIB-UHFFFAOYSA-N
rxn:4:212839:224207,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5cccc(F)c5F)cc4)ccn23)CC1,HYIJHYHMHYNKSS-UHFFFAOYSA-N
rxn:4:212839:227918,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(SC5CC5)cc4)ccn23)CC1,OGZWBOKPCLLPTQ-UHFFFAOYSA-N
rxn:4:212843:226052,CN1CCN(c2ccc(-c3c(F)ccc(OC(F)(F)F)c3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,CCRJFZHVOWFVOB-HHHXNRCGSA-N
rxn:4:212843:226864,CN1CCN(c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,IMIKKJACEPTUAS-MUUNZHRXSA-N
rxn:4:218772:224262,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)ccc32)CC1)N1CCOCC1,VBGXLRLJWFGCEO-UHFFFAOYSA-N
rxn:4:222313:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)cc3)cc2)CC1,YGCJPYJACDGPJZ-QVYRIUEQSA-N
rxn:5:189207:226154:228437,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(F)F)cc2F)c(C(=O)ON2C(=O)CCC2=O)c1,QYKCKDQSDKNIAB-UHFFFAOYSA-N
rxn:4:173553:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c3)cc2Cl)CC1,LYPZESCYNNPJIG-UHFFFAOYSA-N
rxn:4:173578:224170,CCOc1ccccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)c1,PYTCYGHLMMUMLZ-UHFFFAOYSA-N
rxn:4:173871:222396,COc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,CLJSUSMVZMAPNH-UHFFFAOYSA-N
rxn:4:180534:222537,CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)o2)C(=O)O1,WWJAOCQGTBYTJE-UHFFFAOYSA-N
rxn:4:191129:222542,Cc1ccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1OCCCN1CCNCC1,FPYQYNYJUJOLQQ-UHFFFAOYSA-N
rxn:4:200762:224853,CC1(C)CCC(c2ccc(-c3ccc(CN4CC5(C4)CN(C(=O)OC(C)(C)C)C5)cc3)cc2)CC1,VMPGJWDNCIMBHW-UHFFFAOYSA-N
rxn:4:200880:224513,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)ccc4OCc4ccccc4)cc3)CC2)CC1,LEPZMAMBJDZZTL-UHFFFAOYSA-N
rxn:4:200882:224510,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(OCc4ccccc4)c(F)c3)c1)C2,BWDJUSAVKOJYDM-UHFFFAOYSA-N
rxn:4:202274:223939,CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1,DHJVQSHVTDNJHE-PXJZQJOASA-N
rxn:4:204069:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC(N(C)C)CC4)c(C)c3)c(F)c2)CC1,PXWAPLCDBHLRBW-SOAUALDESA-N
rxn:4:212839:226864,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OC(F)F)c(F)c4)ccn23)CC1,WKAPOLXVXDOHRX-UHFFFAOYSA-N
rxn:4:212843:226045,CN1CCN(c2ccc(-c3ccc(C(F)(F)C(F)(F)F)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,QYBVOQREYRIVBD-GDLZYMKVSA-N
rxn:4:212843:226572,CN1CCN(c2ccc(-c3cnc(OC4CCCC4)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,FHXLCDASAZBWLP-JGCGQSQUSA-N
rxn:4:213266:225427,CCCCOc1c(C)cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)cc1C,ILDVQOPJRRAAQL-UHFFFAOYSA-N
rxn:4:221121:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,INNGOQXRFFKCPS-WXUXXXNLSA-N
rxn:4:221424:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cc2)CC1,DDMSMCYGBZLGJN-UNWRIRMBSA-N
rxn:5:189207:226154:223347,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2cccc3c2CNC3=O)c(C(=O)ON2C(=O)CCC2=O)c1,JEXGLCIGBNKLMT-UHFFFAOYSA-N
rxn:4:173619:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OCC(=O)c2ccc(Cl)cc2)cc(C2CCCNC2)n1,ITMNEILAPWCBNG-UHFFFAOYSA-N
rxn:4:173661:224127,CCOC(=O)c1c(C)oc2cc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)c(OC(=O)c3ccccc3C)cc12,YJAQVXREOMMUDL-UHFFFAOYSA-N
rxn:4:174485:222615,COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,CFMXCZFAVSLOJH-UHFFFAOYSA-N
rxn:4:187676:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN(C)C4CCOCC4)cc(C(C)(C)C)c3)cc2)CC1,BMSRQONIZVBKCI-ALOJWSFFSA-N
rxn:4:200812:224424,CCCC1CCC(c2ccc(-c3ccccc3CCC(=O)N3CCCN(C4CCC4)CC3)cc2)CC1,LOFCHWQCHNIGNU-UHFFFAOYSA-N
rxn:4:200880:224141,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4c(OCc5ccccc5)ccc(C)c4F)cc3)CC2)CC1,CJPFPTVYJNNPEK-UHFFFAOYSA-N
rxn:4:200880:224556,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cccc(OCc5ccccc5)c4Cl)cc3)CC2)CC1,CSDXCFHASSQIJB-UHFFFAOYSA-N
rxn:4:200880:225085,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc5ccc(C(F)(F)F)cc5c4)cc3)CC2)CC1,HITDUVIPIMPGRG-UHFFFAOYSA-N
rxn:4:204025:224867,CN1CCN(Cc2ccc(-c3ccc(OCC4CCCCC4)cc3)cc2S(C)(=O)=O)CC1,CZZIUJVPBCKXLE-UHFFFAOYSA-N
rxn:4:212839:227917,CCc1ccc(OC)c(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)c1,GIHWKBKIZAJYFG-UHFFFAOYSA-N
rxn:4:212843:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)c1,SDCCOOIHBFREPB-JGCGQSQUSA-N
rxn:4:212843:227386,CN1CCN(c2ccc(-c3cnn(C4CCCCC4)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,UJFVZDXNOPRRFH-UUWRZZSWSA-N
rxn:4:221193:223799,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(C(F)(F)F)c(OCc5ccccc5)c4)cn3)C2)CC1,HUMVVXSUGSUUCE-UHFFFAOYSA-N
rxn:4:222367:224853,CC1(C)CCC(c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,UZYLNBJRSOXHGD-UHFFFAOYSA-N
rxn:4:222542:187878,Cc1ccc(-c2ccc3cc(N(C)C(=O)OC(C)(C)C)ccc3c2)cc1OCCCN1CCNCC1,MYBDGZHRJNENBA-UHFFFAOYSA-N
rxn:5:190200:225450:227870,CN(Cc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2ccc3c(c2)C(=O)CC3)c1)C1CCOCC1,ZUMCJTMONNDAKM-UHFFFAOYSA-N
rxn:4:174498:223785,CCN1CCN(CCOc2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(OC)c4F)c3)cc2Cl)CC1,GOBYIEDUHGCIQR-UHFFFAOYSA-N
rxn:4:200880:224531,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccccc4COc4cccc(Cl)c4)cc3)CC2)CC1,DOXJZPGZKOLFCN-UHFFFAOYSA-N
rxn:4:200880:224969,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)OC(C)(C)C)c(C)c4)cc3)CC2)CC1,OZIQAXOTXMLXBO-UHFFFAOYSA-N
rxn:4:200884:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)c(F)c2)CC1,NSBYHTJWSZZPLE-UHFFFAOYSA-N
rxn:4:203858:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(CN4CCN(CC)CC4)c3)cc2)CC1,QUXYDFHSQWIGOZ-DUYHBEBVSA-N
rxn:4:203970:223847,CCCCCC1CCC(c2ccc(-c3ccc(F)c(C(=O)N4CCC(N(C)C)CC4)c3)cc2)CC1,GLPWWIXMPPTTDQ-UHFFFAOYSA-N
rxn:4:212839:224552,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(COC5CCCCC5)c4)ccn23)CC1,GHBIOAARMFGWKX-UHFFFAOYSA-N
rxn:4:212839:224874,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(COC5CCCCC5)c4)ccn23)CC1,FCTNBRSXTWYQBW-UHFFFAOYSA-N
rxn:4:212839:226917,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)cc(C(C)(C)C)c4)ccn23)CC1,YBQRRNWSCVBEER-UHFFFAOYSA-N
rxn:4:212843:226054,CN1CCN(c2ccc(-c3cnc(C(F)(F)C(F)(F)F)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,UYYHUAYPVQGOIW-MUUNZHRXSA-N
rxn:4:212843:226838,CN1CCN(c2ccc(-c3cnc(C#N)c(C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,HQLQGBMODSBGAB-GDLZYMKVSA-N
rxn:4:212843:226887,CN1CCN(c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,MVDPQTMJBFZEGI-HHHXNRCGSA-N
rxn:4:221121:224439,Cc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1OCc1ccccc1,VEOUTTHVNXVTMX-UHFFFAOYSA-N
rxn:4:221121:226095,CCCCOc1cc(C)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,KRAQJXIJRVMIAU-UHFFFAOYSA-N
rxn:4:221121:227764,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(C(F)F)c(F)c5)ccc43)CC2)CC1,QWMVMGSKKQWZEV-UHFFFAOYSA-N
rxn:4:221197:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N4CC(C(=O)N5CC(c6nc(-c7ccncc7)no6)C5)CC4=O)c3)c(F)c2)CC1,VRHOLXRTKMTBND-CGZQIQLYSA-N
rxn:5:189207:226154:228392,COc1cc(C(C)(C)C)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)ON2C(=O)CCC2=O)c1,ZELGOILTAUGLIE-UHFFFAOYSA-N
rxn:4:174568:222629,COC(=O)c1c(C)oc2cc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)c(OC(=O)C(C)C)cc12,DHAOBYFZWSDOBR-UHFFFAOYSA-N
rxn:4:200644:224001,CCN1CCN(S(=O)(=O)c2cc(OC)c(-c3cnc(-c4ccc(C(F)(F)F)cc4)c(Cl)c3)cc2OC)CC1,HDINDFPFRAJMRL-UHFFFAOYSA-N
rxn:4:200764:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5(C4)CN(C(=O)OC(C)(C)C)C5)c(F)c3)cc2)CC1,GBBAZEVHEXTAPG-YHBQERECSA-N
rxn:4:200880:223793,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(C(F)(F)F)ccc4OCc4ccccc4)cc3)CC2)CC1,GFDQWIBUQUTKMR-UHFFFAOYSA-N
rxn:4:200880:224464,CCc1ccc(-c2ccc(-c3ccc(CC(=O)N4CCC(N5CCC(OC)CC5)CC4)cc3)c(F)c2)cc1,YNTGOWWGRJSHNG-UHFFFAOYSA-N
rxn:4:203868:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cc2)CC1,GKQUTNAFAKKKJE-YOCNBXQISA-N
rxn:4:204150:223743,Cc1ccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cc1OCCCN1CCC(C)CC1,DODIDOOBVZYUOA-UHFFFAOYSA-N
rxn:4:212737:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,DDXILZGMRIIKDR-UHFFFAOYSA-N
rxn:4:212745:224186,COc1ccc(OCc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cn2)cc1,QFTHHMHOFUCKHO-UHFFFAOYSA-N
rxn:4:212839:224293,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)ccn23)CC1,QKKYXVCYDKQSLM-UHFFFAOYSA-N
rxn:4:212839:227659,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(C(F)(F)F)c4C)ccn23)CC1,URDSWKFMWCSDID-UHFFFAOYSA-N
rxn:4:212839:228598,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)ccc4OC)ccn23)CC1,SRGDQSMWXIIFIA-UHFFFAOYSA-N
rxn:4:212843:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(N2CCN(C)CC2)c2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2,GGRWEWNIEMKNBN-MUUNZHRXSA-N
rxn:4:212843:226448,CN1CCN(c2ccc(-c3cnc(Cl)c(C4CCCC4)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,YCMFXJNCRBLTOL-MGBGTMOVSA-N
rxn:4:212843:226897,CN1CCN(c2ccc(-c3cnc(OCC(F)(F)F)nc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,FKDXEPCDNSUBRZ-GDLZYMKVSA-N
rxn:4:213126:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,JLMVKGHNWWFXKP-HCGLCNNCSA-N
rxn:4:221121:226895,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(F)c(C(F)(F)F)cc5F)ccc43)CC2)CC1,UHCSGKFEZGLUQV-UHFFFAOYSA-N
rxn:4:221986:224781,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCO4)c(C(F)(F)F)c3)cc2)CC1,AIOGKZHZVZWMTF-UHFFFAOYSA-N
rxn:5:190308:223010:225620,CC1CCCN(CCc2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2ccc(OC3CCOCC3)cc2)C1,DFJSYAVEVQAPEC-UHFFFAOYSA-N
rxn:4:174593:222623,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)(C)C)cc(C2CCNCC2)n1,BKOKQTRXQGEYEC-UHFFFAOYSA-N
rxn:4:187676:222434,CN(Cc1cc(-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)cc(C(C)(C)C)c1)C1CCOCC1,HQQQSRYWUDPGLG-UHFFFAOYSA-N
rxn:4:200880:224220,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccc(OCc5ccc(F)cc5)c(Cl)c4)cc3)CC2)CC1,BOWCWRIEHLDKQF-UHFFFAOYSA-N
rxn:4:200882:224846,CCC1CCC(c2ccc(-c3cccc(CN4CC5(CCN(C(=O)OC(C)(C)C)CC5)C4)c3)cc2)CC1,OISHHPHAUBDPCB-UHFFFAOYSA-N
rxn:4:202161:223846,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1cc(C)cc(C2CC3CCC2(C)C3(C)C)c1,DITLMDCAMAMOFG-UHFFFAOYSA-N
rxn:4:202182:223787,CN1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(Cc4ccccc4)CC3)cc2F)CC1,NTZODLULSVPOHS-UHFFFAOYSA-N
rxn:4:207085:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3C)cc2)CC1,DSQRKOKYLMAMRK-YHBQERECSA-N
rxn:4:212839:225001,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCCC(F)C5)cc4)ccn23)CC1,VPPHYBRJGHTZLN-UHFFFAOYSA-N
rxn:4:212839:227548,CCOc1ccc(F)c(F)c1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,FMYURRAJSMXBNI-UHFFFAOYSA-N
rxn:4:212839:227999,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)C)cc4F)ccn23)CC1,ZGPCPPDWIFPNRC-UHFFFAOYSA-N
rxn:4:212843:223186,CN1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,JQAPRLKNTOSFEG-ZIQZBVCVSA-N
rxn:4:212843:226737,CN1CCN(c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,GGQYRVODDCSXJE-WJOKGBTCSA-N
rxn:4:213133:225368,FC1(F)Oc2ccc(-c3cnc(OCC4CCN(CC5CCCO5)CC4)nc3)cc2OC1(F)F,MIDIXEARPXMHTR-UHFFFAOYSA-N
rxn:4:213243:223876,Cc1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(C)c1OCc1ccccc1Cl,XEDVLKLPMPIEQT-UHFFFAOYSA-N
rxn:4:213718:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)cc2)CC1,RZDUXYZHPNUWOQ-BOVDQACMSA-N
rxn:4:221121:224701,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(F)cc6F)cc5)ccc43)CC2)CC1,JBODMCRVYSOYDL-UHFFFAOYSA-N
rxn:4:221121:225433,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(CSC6CCCC6)cc5)ccc43)CC2)CC1,ZLACHPUKNHZLEU-UHFFFAOYSA-N
rxn:4:221971:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(Cc5nnc6n5CCC6)CC4)nc3)cc2)CC1,QAXOCQBQHHVURU-HCGLCNNCSA-N
rxn:5:189910:223054:225620,CC(c1ccc(-c2ccc(-c3ccc(OC4CCOCC4)cc3)c(CCN3CCOCC3)c2)s1)N1CCC(O)C1,KDGTVQFCWUCVSJ-UHFFFAOYSA-N
rxn:4:174485:222729,CCCc1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2OC)cc(C2CCCNC2)n1,JAKQAFGGZZKFTC-UHFFFAOYSA-N
rxn:4:176161:223743,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C)c2)cc1OCCCN1CCC(C)CC1,QMUPOMNXCKYBSH-UHFFFAOYSA-N
rxn:4:184096:224194,CCN1CCN(Cc2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2Cl)CC1,KONOXCWRVGFPJP-UHFFFAOYSA-N
rxn:4:200816:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)cc3)cc2)CC1,AFCKCEBJFXDULW-DGWZTRNLSA-N
rxn:4:201940:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCN(CC)CC4)c(OC)c3)cc2)CC1,MQVWCONXOOGCGT-SOAUALDESA-N
rxn:4:201987:224424,CCCC1CCC(c2ccc(-c3cccc(CN4CCN(CC)CC4)c3OC)cc2)CC1,SRUNNYQSGKXWCA-UHFFFAOYSA-N
rxn:4:202284:223497,COc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,CASWLMPRVYUUOW-UHFFFAOYSA-N
rxn:4:212748:224054,CC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,XSLBJFCCXDFWGS-UHFFFAOYSA-N
rxn:4:212806:226864,COCCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3cc(F)c(OC(F)F)c(F)c3)ccc21,GQPRYHFCULKMFH-UHFFFAOYSA-N
rxn:4:212839:224511,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccccc5)cc4F)ccn23)CC1,YUTZRHKQIGDWFO-UHFFFAOYSA-N
rxn:4:212839:226909,CCC/C=C/c1ccc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc1,XXRGSQHXYSILJG-ZHACJKMWSA-N
rxn:4:212839:227346,CCCc1cc(F)c(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)c(F)c1,LAEKEPXZPAJRRC-UHFFFAOYSA-N
rxn:4:212839:228173,CCOc1cc(F)ccc1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,ZGJJOXPSJUZCLN-UHFFFAOYSA-N
rxn:4:212843:225270,CCCOc1ccc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)cc1C(F)(F)F,NERSYIWUOIEGNY-JGCGQSQUSA-N
rxn:4:212843:226840,CN1CCN(c2ccc(-c3cc(C#N)nc(C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,UWKGLPQBBYUETR-SSEXGKCCSA-N
rxn:4:213354:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2)CC1,XFGVZJHRHJAOFB-GUDPVVBVSA-N
rxn:4:214326:223847,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCC(Cn5cnc6ccccc6c5=O)CC4)c3)cc2)CC1,IPLPNKPODCNMHB-UHFFFAOYSA-N
rxn:4:219453:224424,CCCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,YSMCUSXNHJRHAD-UHFFFAOYSA-N
rxn:4:219997:222615,CC(C)Cc1cc(-c2ccc(N3CCN(c4nccn(C5CC5)c4=O)CC3)cc2)cc(C2CCNCC2)c1,VTNJUVLILSGRET-UHFFFAOYSA-N
rxn:4:221121:223605,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])cc5)ccc43)CC2)CC1,WSXFFZYUPYTVJH-UHFFFAOYSA-N
rxn:5:190200:226395:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cncc(N3CCCCC3)c2)c1,NZIFOAKAKQEMLL-UHFFFAOYSA-N
rxn:4:175939:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(COC4CCCCO4)cc3OC)ccc2OC)CC1,NSNVSGDALFEJTE-UHFFFAOYSA-N
rxn:4:191097:222542,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cc21,CILLZUDCWOGIIK-UHFFFAOYSA-N
rxn:4:192115:222466,Cc1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c([N+](=O)[O-])cc1C(F)(F)F,FANPVIBYBIDILH-UHFFFAOYSA-N
rxn:4:200880:224205,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4cc(F)cc(F)c4OCc4ccccc4)cc3)CC2)CC1,UXLRVCNMEFQVBX-UHFFFAOYSA-N
rxn:4:201991:224060,COc1c(C(C)(C)C)cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2C)cc1C(C)(C)C,ZNLBDJOLAWOJMK-UHFFFAOYSA-N
rxn:4:203902:225059,COc1c(Cl)cc(C(=O)N2CCN(C)CC2)cc1-c1ccc(N2CCC(C)CC2)cc1Cl,QSLKOYPFQOACPJ-UHFFFAOYSA-N
rxn:4:212839:224284,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(OCc5ccc(OC)cc5)nc4)ccn23)CC1,MKNGNOGEVZBHNZ-UHFFFAOYSA-N
rxn:4:212843:225386,CN1CCN(c2ccc(-c3cc(F)c(C(F)(F)F)cc3[N+](=O)[O-])c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,RRHDURZITXQGSP-HHHXNRCGSA-N
rxn:4:212843:226834,CN1CCN(c2ccc(-c3cncc(OCC(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,BHYVJCAQWWOJAK-SSEXGKCCSA-N
rxn:4:213380:223847,CCCCCC1CCC(c2ccc(-c3ccc(-n4c(SCC(=O)N5CCCCC5)nc5c(c4=O)SCC5)cc3)cc2)CC1,HOVFVHHSNUHNBN-UHFFFAOYSA-N
rxn:4:214889:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C)CC4)c(N4CCCC4)c3)cc2)CC1,CQZPJBWJBXGIOK-DIVCQZSQSA-N
rxn:4:218772:223664,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)ccc32)CC1)N1CCOCC1,LJLNWNMDTCQJJW-UHFFFAOYSA-N
rxn:4:221121:222437,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)ccc43)CC2)CC1,QVUYAAPIAWMYII-UHFFFAOYSA-N
rxn:4:221121:225267,CCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(C(F)(F)F)c1,WULLITQFHVNRCQ-UHFFFAOYSA-N
rxn:4:221151:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnccn5)C4)nc3)cc2)CC1,YDZVYXZULFWDLV-PECFQXNXSA-N
rxn:4:222126:225336,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COCC(F)(F)F)cc3F)cc2)CC1,OOFUTJCSYWYRSG-UHFFFAOYSA-N
rxn:5:193968:225702:223146,COC(=O)n1c(-c2ccc(-c3cccc(C4CNCCO4)c3)c(CN3CCC4(CC3)OCCO4)c2)cc2ccccc21,PUNUTZKIUSZTHV-UHFFFAOYSA-N
rxn:4:173579:223784,CCOc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(OCCN4CCN(CC)CC4)c(F)c3)c2)c1,HCQMXCHTYXTMFI-UHFFFAOYSA-N
rxn:4:173600:222621,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,RXJPACQJXMAPDO-UHFFFAOYSA-N
rxn:4:201779:224424,CCCC1CCC(c2ccc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,YJMPCJSRVCOVJM-UHFFFAOYSA-N
rxn:4:202203:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CN3CCN(C)CC3)c(Oc3ccccc3)c2)CC1,YRFRTMOKKWCFLP-UHFFFAOYSA-N
rxn:4:202274:223922,CN(C(=O)c1cc(-c2ccc([C@H]3CN(Cc4ccccc4)C[C@@H]3N(C)C)cc2)ccc1Cl)C1CCCCC1,LRONWQPTMCUZFW-BHYZAODMSA-N
rxn:4:202284:223722,COc1ccc(-c2ccc(-c3ccc(OCCC(C)C)cc3)cc2)cc1CN1CCC(N2CCCC2)CC1,OHMZVIYNGPZRKX-UHFFFAOYSA-N
rxn:4:212839:222686,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(Nc5ccc([N+](=O)[O-])cc5)c4)ccn23)CC1,RCBMQZCDHKJMAL-UHFFFAOYSA-N
rxn:4:212839:223070,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4csc(NC(=O)OC(C)(C)C)c4)ccn23)CC1,IRORYJZWFFMXHS-UHFFFAOYSA-N
rxn:4:213214:223728,CCCCCC1CCC(c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(N4CCN(CC)CC4)n3)c(F)c2)CC1,NGPXIMRJXZNEHZ-UHFFFAOYSA-N
rxn:4:213830:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnn(CC4CCN(CC(C)C)CC4)c3)cc2)CC1,HPXPIYARHZGOJK-DUYHBEBVSA-N
rxn:4:213964:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(CN4CCC(Oc5ncc(C)cn5)CC4)c3)cc2)CC1,CLWZDQCPXLEVAT-DIVCQZSQSA-N
rxn:4:214079:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(F)c2)CC1,OADZPCBINRNKCU-MCZWQBSQSA-N
rxn:4:214852:223497,CC(c1ccc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,AANCFTPRDYJIHL-UHFFFAOYSA-N
rxn:4:222126:223599,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,XEAJAMHOHBKWNX-UHFFFAOYSA-N
rxn:5:190127:225506:223054,COC1CCN(C(=O)c2cc(-c3ccc4c(cnn4CC(C)C)c3)ccc2-c2ccc(C(C)N3CCC(O)C3)s2)CC1,DRYGKWUZCFGFBB-UHFFFAOYSA-N
rxn:4:187676:225407,CN(Cc1cc(-c2ccc(C3CCCCCC3)cc2)cc(C(C)(C)C)c1)C1CCOCC1,GXKIAQUUEXZZQE-UHFFFAOYSA-N
rxn:4:200880:224548,COC1CCN(C2CCN(C(=O)Cc3ccc(-c4ccccc4OCc4cccc(F)c4)cc3)CC2)CC1,QRJWZDPWTLHVLY-UHFFFAOYSA-N
rxn:4:201150:222466,CC(C)(C)OC(=O)N1CCC(CN2CCc3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3C2)CC1,PHMWDCODKKBLBN-UHFFFAOYSA-N
rxn:4:201150:227973,COc1c(C)cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1C,KXBXKUAUKZIOSE-UHFFFAOYSA-N
rxn:4:202094:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CCN4CCN(C(C)C)CC4)ccc3F)cc2)CC1,XXLMOIKSXVKYJH-DUYHBEBVSA-N
rxn:4:202243:224192,CCN1CCN(Cc2ccc(F)cc2-c2cccc(C(=O)c3ccccc3CN3CCN(C)CC3)c2)CC1,RBNKGAGGGGGWJQ-UHFFFAOYSA-N
rxn:4:204090:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cccc(CC4CCCN(C(C)C)CC4)n3)cc2)CC1,FLSAVIKARAXYJW-PECFQXNXSA-N
rxn:4:212839:224536,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCc5cccc(F)c5)c4)ccn23)CC1,HUGNFOMBSKUEQO-UHFFFAOYSA-N
rxn:4:212839:227040,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)ccc4OC(C)C)ccn23)CC1,XSKSQHQQZXNZHA-UHFFFAOYSA-N
rxn:4:212843:226046,CN1CCN(c2ccc(-c3ccnc(C(F)(F)C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,MBNFAIKNJHRDDW-GDLZYMKVSA-N
rxn:4:212843:226839,CN1CCN(c2ccc(-c3cc(C(F)(F)F)ncc3C#N)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,OKZNFZXXSKUUED-GDLZYMKVSA-N
rxn:4:213243:223664,O=C(CN1CCN(Cc2ccc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cc2)CC1)N1CCOCC1,FACHHCACOSDPGS-UHFFFAOYSA-N
rxn:4:213243:224038,CC1(C)c2cc(Cl)ccc2-c2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)cc21,OIGCBQCTJQBDGI-UHFFFAOYSA-N
rxn:4:213723:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(CC(=O)N4CCN(CC)CC4)c3)cc2)CC1,GVNJGUGGRUKRDN-YOCNBXQISA-N
rxn:4:214079:223837,CC(C)N1CCN(Cc2ccc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)nc3)cc2N2CCCC2)CC1,FJNWMEWZQPKFGH-UHFFFAOYSA-N
rxn:4:214258:222624,CC(C)Cc1cc(-c2cnc(OC3CCN(Cc4ccc5c(c4)CCO5)CC3)nc2)cc(C2CCNCC2)n1,HRLPNYHYJXIETQ-UHFFFAOYSA-N
rxn:4:221121:225599,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(Oc6ccccc6)c5)ccc43)CC2)CC1,DBMZQZSNFDFJDT-UHFFFAOYSA-N
rxn:4:221193:223734,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCc5ccc(C(C)(C)C)cc5)cc4)cn3)C2)CC1,JGFQHRUEQWUDCS-UHFFFAOYSA-N
rxn:4:221535:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,PGACOMLULGVQJV-DUYHBEBVSA-N
rxn:4:223830:174517,CCCCCC1CCC(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,MBNMGOCTPLWAFG-UHFFFAOYSA-N
rxn:5:190200:226395:225607,CC(c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4)c3)c2)s1)N1CCCCC1,GZABCGCGCFYORL-UHFFFAOYSA-N
rxn:4:173603:222624,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(C)C(=O)OC)cc12,CMGGGOHBFZNNGS-UHFFFAOYSA-N
rxn:4:173616:223753,Cc1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)c2ccco2)cc1OCCCN1CCN(C)CC1,OPRYIAFXWDGNPO-UHFFFAOYSA-N
rxn:4:174521:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(C)(=O)=O)cc3)c2)cc1OCCCN1CCNCC1,KMMPTKUSDNAJPU-UHFFFAOYSA-N
rxn:4:187364:224424,CCCC1CCC(c2ccc(-c3cc(CN(C)C4CCOCC4)cc(OC)c3)cc2)CC1,DTDXQSXFKWIKIB-UHFFFAOYSA-N
rxn:4:190497:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCC(C)C4)cc(C(C)(C)C)c3)c(F)c2)CC1,KRYCJTOMQRMHDZ-BREVFBKUSA-N
rxn:4:200779:222615,CC(C)Cc1cc(-c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)cc(C2CCNCC2)c1,GMENOIAZHLQPGH-UHFFFAOYSA-N
rxn:4:200882:223798,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)c1)C2,YXYJWXVLPANTFK-UHFFFAOYSA-N
rxn:4:201150:222958,Cc1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1C1CCNCC1,GUMDOPVSGHQXGU-UHFFFAOYSA-N
rxn:4:203991:223728,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(C(C)C)CC4)c3)c(F)c2)CC1,XUGAVDBBYWUXNW-UHFFFAOYSA-N
rxn:4:212751:224054,CC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,QVQZFKUOVOGCGE-UHFFFAOYSA-N
rxn:4:212839:224558,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5cccc(OC)c5)cc4)ccn23)CC1,BBNSXTIOLQDPBJ-UHFFFAOYSA-N
rxn:4:212839:225061,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCC(C)CC5)cc4F)ccn23)CC1,WIQKMUMPOCWLPW-UHFFFAOYSA-N
rxn:4:212839:227209,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)OC(C)(C)O5)ccn23)CC1,KQVAEPOWOIHWAT-UHFFFAOYSA-N
rxn:4:212839:227925,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OC(C)C)c4)ccn23)CC1,RKCCJGDQMBIBRI-UHFFFAOYSA-N
rxn:4:212843:226880,CN1CCN(c2ccc(-c3cc(F)c(F)c(C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,CIOICIOBGWVZEO-MUUNZHRXSA-N
rxn:4:214057:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,YZJUJFRPJAEONE-MCZWQBSQSA-N
rxn:4:214338:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc4c3n(C)c(=O)n4C3CCC(=O)N(Cc4ccc(OC)cc4)C3=O)cc2)CC1,MJCZDAGRCAILNE-LVSLSUPGSA-N
rxn:4:215990:223743,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1OCCCN1CCC(C)CC1,JLGYGACORHNAKF-UHFFFAOYSA-N
rxn:4:219453:224846,CCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,VCADENWMHIRBCF-UHFFFAOYSA-N
rxn:4:219569:224430,CCC(C)Oc1ccc2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)ccc2c1,TZCXHRSMDKYIER-UHFFFAOYSA-N
rxn:4:221522:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,SVPCSWASGKEWOD-FBSWEULCSA-N
rxn:5:190200:226061:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(C)C)cc(C3CC3)c2)c1,UBSQMJVUICLPJD-UHFFFAOYSA-N
rxn:4:173672:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OCc3ccccc3F)ccc2OC)CC1,YURREQBCRIPRDT-UHFFFAOYSA-N
rxn:4:174403:222538,COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)c(C)c(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1,JCOJASOBYIQQFQ-UHFFFAOYSA-N
rxn:4:174403:223892,COC(=O)c1cc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c(-c2cccc(OC(F)(F)F)c2)c1,XNJVAALVPKJAQT-UHFFFAOYSA-N
rxn:4:174744:222389,Fc1cc(OCC(F)(F)C(F)F)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,GWTGLYUEPPANRU-UHFFFAOYSA-N
rxn:4:201150:224147,Cc1cc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c(OCc2ccccc2)cc1F,VRHSORZQVIRYFV-UHFFFAOYSA-N
rxn:4:201893:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCC(=O)N4CCN(C)CC4)cc3)cc2)CC1,GIFYOFCSWFYRCP-DUYHBEBVSA-N
rxn:4:202162:223847,CCCCCC1CCC(c2ccc(-c3cccc(OC(C)C)c3CN3CCN(C)CC3)cc2)CC1,DLDTVTLEHREQDU-UHFFFAOYSA-N
rxn:4:202800:224496,CC#Cc1cc2c(c(F)c1-c1cccc(CN3CCN(CC)CC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,MFFOTVVTARUKJF-MUUNZHRXSA-N
rxn:4:212748:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,HDUIKQGVEVBWTO-UHFFFAOYSA-N
rxn:5:190200:228124:222987,CCOc1cc(C)c(-c2cc(CN(C)C3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3C)c2)cn1,WPBQHQMCHVOLHO-UHFFFAOYSA-N