Added 163 molecules from epoch 16602 for Q8BRU6

Q8BRU6_molecules.csv

@@ -19675,3 +19675,166 @@ rxn:2:77030:133116,,
 rxn:2:83091:139371,,
 rxn:2:97818:118307,,
 rxn:2:98329:118307,,
+003327DE6DC33483_28465245C9F36228_6031_DP,OC(=O)[C@@H]1CC[C@@H](C1)C(=O)OCC2=NC(=CC(=C2)OC)Cl,QEGSLXQZHLTBFA-BDAKNGLRSA-N
+007A8148DB480C12_A421335AAF3511E8_6038_DP,N3CC(CNC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,KMCNGFVCLZITEX-GXTWGEPZSA-N
+0222F3B77F0C57E7_66C03971745BEFE4_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=C(C=CC=C3F)S,JQWWQPIMGOFTAX-UHFFFAOYSA-N
+02CAF206B08BAB1C_C371A8D2A389DBB3_6029_UN,N(CC1=COC(=N1)Cl)[S](C2=CC=CC3=C(O)C=CC=C23)(=O)=O,LCOVACZQWUHKCH-UHFFFAOYSA-N
+032D4062FFEFBF69_78C5FFFC5FD250A0_6031_UN,O(C(=O)[C@@H]1C[C@H]1C2CNC2)CC3=C(OC)C=C(C=C3OC)C,AUQKPXXXQOWMKW-QWHCGFSZSA-N
+04A94CB7EEDD07F7_7BAF6B2D1A028524_6009_UN,CCOC(=O)C(=CC(F)(F)F)C3[C@@H]1C[C@@H]([C@@H]2O[S](=O)O[C@H]12)C3,DLJUKWVFABDGBH-PIHKUSNHSA-N
+05BE1130DD8220C2_6E0BF980DB83AD98_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)NC34CC(C(OC)=O)(C3)C4)F,BPYQOTJDVWYHFC-YKDGJLSTSA-N
+060E1D34942F6612_A38752AF8E63ECD2_6041_UN,C1(=CC2=C(C=C1)C=CC=C2C#N)NC3=CC=C(C=C3)C4=NN=C(S)O4,DPVXONFLVIBSKM-UHFFFAOYSA-N
+075178D8BA450CFD_202D09C5EEC01DCF_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NC3C(C(CC(OC)=O)C3)(C)C,DKDJHCISYOZROC-CMOBGSAGSA-N
+07741182E0B5C73F_FEF034DF7217712D_6034_DP,OC(=O)CN1C=C(C#N)C(=O)N(C1=O)C[C@H]3C[C@@H]2NC[C@@H]2C3,XSZVWDSAVXKAEJ-YWVKMMECSA-N
+08E320C31A57ED60_63443AEEBB199B05_6038_DP,N3C[C@@H]2C[C@@H](CNC(C1=CC(=CC(=N1)C(OC)=O)OC)=O)[C@@H]2C3,QTXMOYPFLVCVBY-JBLDHEPKSA-N
+099FBFE379E4066E_58D88F78B4557039_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC34CC(CC(OC)=O)(C3)C4,MUOKPDHIRPFBED-DCYIXLHKSA-N
+0C50A018E1AB9D29_45974F634D60BCF0_6038_DP,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(COCC3CCCNC3)=O,PELSZWFKRUCYPZ-MLPRRRGUSA-N
+11295585F1C7D2AE_FFB4094679DD4476_6041_DP,COC(=O)C(=C)C1=CC(=CC=C1)NC24CC(OC23CNC3)(C)C4,YSLMXRLEZQOGNI-UHFFFAOYSA-N
+13081A814023F1F4_60AD92698F1DEA74_6038_DP,N(CCCCCC1=N[NH]C(=C1C#N)N)C([C@@H]2C[C@H](CN2)F)=O,TUOFMTGXUUJFQB-SKDRFNHKSA-N
+13F3C90C09824FA5_E2540A294DF4D4F0_6035_UN,O([C@@H]1CC[C@@H]2CNC[C@H]12)C3=C(SC(=C3)C(OC)=O)C(=O)OC,TZSYDLDHGOHIGU-KXUCPTDWSA-N
+17DBD401BD58B5C0_81CEAED87715ABC3_6038_DP,COC1=C(C(=C(C(=C1)OC([C@@H]2C[C@H]2C3CCNCC3)=O)C(=O)C)OC)OC,YLHLZAFLWAKPTQ-UONOGXRCSA-N
+1BF02DE9C6798040_DA50416514E927B1_6031_UN,COC1=C(C(=CC(=C1)N)C(=O)OC[C@H]2NCC[C@@H](CC)C2)OC,BJXIJENAOJDISK-YPMHNXCESA-N
+1FD98D0D48FACDE9_B83B2C8A98B85B02_6039_DP,CCC(=C(N=O)C(=O)OC)OCC(C1CCNCC1)F,JGTVNBBFQXZSBX-UHFFFAOYSA-N
+22715B61020BBDB9_BE44E8F4C94A4A08_6038_UN,COC1=C(C(=CC(=C1)C)OC)COC(=O)[C@@H]2CCO[C@H]2C3CC3,NILIHRLLIRXNTH-DYVFJYSZSA-N
+26B6F085266D1089_87CC0F2394DA0C5A_6029_UN,N(CC1=CC=C(O1)C2=CC=C(C=C2)F)[S](C3=COC=N3)(=O)=O,NYMYWCYJCMKSTE-UHFFFAOYSA-N
+2A6A526429716BCF_BADF45EF78015928_6038_UN,O(CC[N]1C=C(C#N)C=N1)C(=O)C34CC2CC(F)(CC(F)(C2)C3)C4,MUODXARHDHJFBS-UHFFFAOYSA-N
+2B671FEA3CF76DE7_6FCC1C0AAC58C4F4_6035_UN,NCC14CCC(CC1)(COC2=NC(=NC3=C(C#N)C=N[N]23)S)CO4,NSNLLLQKUOKOFB-UHFFFAOYSA-N
+2F71608FF8AE2059_1FE6D48F2BC1128C_6041_DP,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)N[C@@H](C)C3CNC3)F,CDZOEJGYQPSXSI-UAKXVISKSA-N
+30E637191F5A8584_907AEE6946076B85_6038_DP,O(CCN1C=C(C#N)C(=O)NC1=O)C([C@@H]2C[C@H]2C3CNC3)=O,YHBPESBPGDFKTR-WDEREUQCSA-N
+3434BDB89F26DC28_3358E8E265E75FCC_6038_UN,NC3=N[N](CCOC(C2C1CCC(CN1C(OC)=O)C2)=O)C=C3C#N,CNBPVVKHOJUVHR-UHFFFAOYSA-N
+36510CC9FC84C252_645834473EE9255F_6003_UN,O(C1=CC(=CC=C1)S)C3=CC2=C(C=N[NH]2)C=C3[N](=O)=O,PYQDYOCQHNSYSP-UHFFFAOYSA-N
+386C4112AB3BF11B_40341FAD7DF8282C_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)NC3CN(C(OC)=O)C3)F,WIWQQXNKGDZNAM-NWDGAFQWSA-N
+3AC11904F3C25404_8C3A770D581EB9EB_6031_DP,N[C@@H]1C[C@H](NC1)C(=O)OCC2=NC(=C(C=C2C)C)OC,HVVRTHQZYHCJHR-MNOVXSKESA-N
+3C10E2DF28D52406_52CAD5CA4BDD8669_6041_UN,C[S](=N)(=O)C1=CC=C(C=C1)NC(C2=N[NH]C(=N2)C)(C)C,XWURDPPHBJTQME-UHFFFAOYSA-N
+3CA60BBAFCAAC7E3_8986AC64B15FD835_6041_UN,CN1C(=NNC1=O)SCC2=C(SN=N2)N[C@H]4[C@H](C3=CC(=C(C=C3OC)C)OC)C4,CTEKLRSFAFTQRI-CMPLNLGQSA-N
+3E1AECD71320046A_4D42D5C271483A7C_6038_DP,N3CC(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,XPYVGYBTNFEXQW-WCQYABFASA-N
+3E46C12E384048E4_6906E6668414725B_6038_DP,COC(=O)C3(CNC(CC1=CC(=NO1)OC)=O)C[C@@H]2CNC[C@@H]2C3,LQNCOGOPOQSONE-SOSAQKQKSA-N
+3F24EC2757AFE5BB_B316DB96BAEC410E_6029_UN,N(C2=C1C=CC=CC1=C(C=C2)[N](=O)=O)[S](C3=CC4=C(N=C3)OC=N4)(=O)=O,OHZMBEUFXSEYGT-UHFFFAOYSA-N
+3F438D9F9AE343B5_E18F69C2F2085465_6038_DP,N3CCOCC(CNC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,FWUMGQPQSQVSMY-JGKCFBKVSA-N
+40CC4174A3DE73DE_C0257A3050BCD47A_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NCC3=NC=C(C(=C3C)OC)C,UYRGBSMUZUIJIY-QWHCGFSZSA-N
+42294815E6E8C7A8_42025E100A70404B_6038_UN,NC(=N)C1=CC=C(C=C1)NC(CSCC2=NOC(=N2)C)=O,ZIDPXKJSNKLKAM-UHFFFAOYSA-N
+44E012F1EC7494B2_802787CD8C6C8E92_6038_DP,OC(=O)[C@]14C[C@H]1[C@@H](NC(C3(C2=CN=C(OC)C=C2)CCC3)=O)C4,YBFUUZAYJZTQST-PRXAMGSTSA-N
+44F9DA50735935B1_184DFEA2A6961640_6038_DP,OC(=O)C1CCCC1NC([C@@H]2C[C@H](CC(OC)=O)CN2)=O,IGDACVFFWQSYIH-SFXRXQKFSA-N
+470A00A8878C06D0_0C3DCF2D93729492_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NCC3=NOC(=N3)C(C)(C)C,HRRHGQPTTIFTQO-VHSXEESVSA-N
+489032CCBEB6F8A1_D6C3C2479CE067C2_6031_UN,COC1=C(C=C(C(=C1)Br)C(=O)OCC2C[C@H](C)O[C@@H](C2)C)OC,QOLGZUOSABEJKD-FOSCPWQOSA-N
+4919B04494EF2348_20CE6CBEAC029561_6034_UN,NN1CC(=O)C(=C1N)C3=NC2=C(C=CC=C2)N3CC4=CC(=NO4)Br,MKRZNIXAQIZYQV-UHFFFAOYSA-N
+49B3E1946938B4B0_6C8D7DB6D713F38D_6029_UN,N(C2=C1C=CC=CC1=C(C=C2)[N](=O)=O)[S](C3=CN=C(N=C3)C4=NC=CO4)(=O)=O,BPLUWRKCFNFLIX-UHFFFAOYSA-N
+4C7F471359B94D72_F39ECDCC5DCA175E_6041_UN,O=[N](=O)C1=C(N=C2C=CC=C[N]12)NC3=C(C=CC=C3)S,HUXVDBPMJJCRRQ-UHFFFAOYSA-N
+4CBC76E6F3F288F0_2C38386AD13EB5FB_6041_DP,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)N[C@@H]4CNOC4,OEJRTOWDCTUBER-HZNYWTHISA-N
+4E7CFC4C22B34D3A_8D788E5C8D406A43_6038_DP,CCOC(=O)C2=CCC(NC([C@@H]1C[C@H](CC(OC)=O)CN1)=O)C2,PANJBZJCMBTILY-VBUNGHGYSA-N
+509D403727FF75D7_8F4690FD1D1AB262_6035_UN,O(CC1=CC2=C(C=C1)OC(=N2)S)C3=CC4=C(C=C3)COC4=O,SFSNLRAACBXBKJ-UHFFFAOYSA-N
+51DAAB2498FA6146_CC7B53D42DBDFC5D_6041_UN,SC3=NN(C1=CC=C(C=C1)NC2=CC(=C(C=C2)F)C#N)C(=S)S3,AJJYHVRJTVZOAT-UHFFFAOYSA-N
+54EDC3A68DAEFEBF_917B0E11273D1101_6038_UN,CC1(C)[C@@H]3C[C@H]1C(COC(C2=C(SN=C2OC)OC)=O)CC3,WGIKZTHMOCRGEI-DVRYWGNFSA-N
+560087EE45F9F300_229A078D0F6C9875_6041_UN,C[S](=N)(=O)C1=C(C=CC=N1)NC(C(C)C)C2=NC(=NO2)C,JNTCALHYZITJQI-UHFFFAOYSA-N
+56B0B306EB1C358D_B99F499A820C236C_6029_UN,N(C2=C1C=C(C=CC1=CC=C2)O)[S](C4=CC3=C(C(=NO3)O)C=C4)(=O)=O,DJLDPEDJHABNHV-UHFFFAOYSA-N
+59EC45122138323C_FE209551A32E5575_6039_UN,OC(=O)CC34CC2CC(CC(OCC1=NN=C(COC)O1)(C2)C3)C4,FJFJOCJAEBWOTQ-UHFFFAOYSA-N
+5A1CB6CA5CC56573_E93C58EE53E8B505_6041_UN,O=[N](=O)C3=CC1=C(N=CN=C1NC2=CC(=CC=C2)S)S3,FXZJZPNWWKRNCI-UHFFFAOYSA-N
+5B619A2D069BAB87_7CAB95F97AA1C49F_6038_DP,CCOC(=O)[C@H]3C[C@](F)(COC([C@H]1C[C@H]2CNC[C@@H]12)=O)C3,OUVMTRPUNDXQQC-QHUBEEEXSA-N
+5CB392BE4CAD74F0_F7C78F3365610943_6038_UN,CC1(C)SCC=C1COC([C@H]2CC[C@@H](CCC(OC)=O)O2)=O,AXIJYOWBOHYSEP-QWHCGFSZSA-N
+62AD0AE4A2D3984A_7080E0064D4EBA31_6031_UN,COC1=C(C(=CC(=C1)CC(=O)OC[C@H]2NCC[C@@H](CC)C2)OC)OC,SBYUPTGEMRQTKN-HIFRSBDPSA-N
+63C16FD86286B43B_3D14F0D4B476E33C_6031_UN,C[C@@H]1C[C@H](C)N[C@@H](C1)C(=O)OCC2=C(C(=NO2)OC)Br,HRWRTPJBBJRSMN-VGMNWLOBSA-N
+63E58A8EF8BDD675_E2BC759130AFFCEA_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=C(C=C(C=C3)F)S,CTCJZCRTNGIPRX-UHFFFAOYSA-N
+64497D85B1B22D90_0954153F75741CA7_6038_DP,OC(=O)[C@]15C[C@H]1[C@H](NC(C2C4CC2(C3=CC=N[N]3CCOC)CC4)=O)C5,YDJQBEKRFYBJEO-FHEUEPTHSA-N
+649C1BE32C8E0346_DC99477C4DF8FBF3_6041_UN,O=[N](=O)C2=C1N=CSC1=CC=C2NC3=CC(=CC=C3)S,RBNCRFVKZGGQSE-UHFFFAOYSA-N
+65E6BD7C976C391D_24CD08FFD230BD3D_7019_UN,O=[N](=O)C1=CC(=CC=C1)C=CC3=C2OCOC2=CC=C3,JIYOBLNWHLEJOA-UHFFFAOYSA-N
+6F36C368B99AAEBE_B7412ED58761FB76_6031_DP,OC(=O)[C@H]1CC[C@H](O1)C(=O)OCC2=NC(=C(OC)C=C2)OC,AZYPACSFPLZKAE-MNOVXSKESA-N
+6F4D737478E09F0A_447B89F55D126FF2_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)NC3C(N(CC)OC3)=O)F,HXDIXFXGQLLULV-QQMGMQKYSA-N
+719146752E9E5DFF_B1AD1273B251A597_6029_UN,CC1=NOC(=N1)C23CC(C2)CN3[S](C4=C([Si](C)(C)C)C(=CC=C4C(F)(F)F)F)(=O)=O,HFLMJLAARNEMLX-UHFFFAOYSA-N
+71D7F5ACE8067054_2DBC2FAC236134F8_6034_UN,NC1=NN=C(N1CC2=CC=CC(=C2OC(F)F)OC)C45CC3CC(CC(C3)C4)C5,LTCIDJBGZZWBHW-UHFFFAOYSA-N
+722E6D0B95421637_322D702942623234_6038_DP,COC(=O)C2=CCC(NC([C@@H]1C[C@H](CC(OC)=O)CN1)=O)C2,NDIFOWOHDLOJIF-DGHCKJRHSA-N
+7234EE5F36401367_BFE3D91278C90B18_6038_DP,CC3CC(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)CN3,MAHARELCTNXFRF-NSOJWWLLSA-N
+74FFE4719CFA46FA_759EF00BDABF1A91_6031_UN,O(C(=O)[C@@H]1[C@H](C2CCC1CC2)C(F)(F)F)CC4=C(N(C)C3=NN=N[N]3C4)C,GFEXOJFGSOLPQY-OQSWDALSSA-N
+753B93F70B42CBA7_140E3AAC083AAE9E_6028_UN,N(CC1=CC(=CC(=C1)Cl)Br)[S](C2=NC(=NO2)C4=CC3=C(C=CC=C3)O4)(=O)=O,KDBXKZUWAWBNCB-UHFFFAOYSA-N
+763FB964D30E640D_2FB0AD88B29C81F8_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)NC34CC(CC(OC)=O)(C3)C4,NZDBNQMXQRTVHX-BULQSVBWSA-N
+76B16AE20FEE4224_85B8BD02CE01795A_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NCC4=NNC(N4C)=O,JUNLIKAOXZBRGH-UZJPJQLHSA-N
+770E1CD484D8D704_4BE5DF5978BE44B4_6029_UN,N(C1=C(C2=C(C=C1)C=CC=C2)O)[S](C4=CC3=C(C(=NO3)O)C=C4)(=O)=O,RIFJYSHAVVHZPF-UHFFFAOYSA-N
+7A8F90016FE238B9_756399E2EDF53E05_6004_UN,O[S](=O)(=O)C1=CC(=CC=C1)C2=CC=CC3=C(N(C)C)C=CC=C23,FDWAABMDCGOOFV-UHFFFAOYSA-N
+7B9F3CBAD53A98B8_872EA56F74096089_6038_UN,C[C@@H]3CC[C@H](COC(C2=CC1=C(C(=C(OC)C=C1[NH]2)OC)OC)=O)O3,JPMQERPLGQVAIJ-GHMZBOCLSA-N
+7F1FA3B0F01630ED_C54E42C2808288CB_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=C(C(=CC=C3)F)S,ZOUQLGUNIQVPHX-UHFFFAOYSA-N
+7F949EA525610A1A_DEEDEEF6D610E9A6_6035_UN,NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=C(Br)C(=NC5=C4C=CC(=C5)OC)C)=O,ASVLRLFZRUWYSQ-CODKJTEISA-N
+81ADA7BFF8F66490_C06A6ABEAB46E9F3_6038_DP,CCOC(=O)[C@@H]1CCNC[C@@H]1NC(C(=CC2CCC(C)CC2)C)=O,ICPPWNXDDHJILB-BNICSPFPSA-N
+82D3772EBDF94A4C_B3D04D5F1A84FF80_6038_DP,N3CCC(COC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,FLWNXXBAYPFYNG-RGPPAHDHSA-N
+8707ADEE3D87BA5C_6ADB5190577976C3_6035_UN,O(C[C@H]2[C@@H]1CNC[C@@H]1C2)C3=C(SC(=C3)C(OC)=O)C(=O)OC,SLQWKKSPTASRQU-LPEHRKFASA-N
+88976F3358A77068_A6AC03F2F2878040_7019_UN,C(C1=COC(=N1)C2=CC=CS2)=CC3=CC=CC(=C3O)[N](=O)=O,NNHHOAPSZCMUNI-UHFFFAOYSA-N
+8936C5D5E1867E41_1BF7F1A0E729CB6D_6029_UN,N(C1=C(C=C(C=C1)C2=CC=NC=C2)[N](=O)=O)[S](C3=CC4=C(N=C3)OC=N4)(=O)=O,UBAYNDIBPSUPDI-UHFFFAOYSA-N
+8DC9D93807391EF9_808B898E54E1CD39_6038_DP,N3CCC(CNC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,SSQLCKNKAWKXJK-RGPPAHDHSA-N
+90D87C1485AD37B7_B7F613998EFB1597_6038_UN,CC1(C)[C@@H]3C[C@H]1C(COC(C2=C(OC)N=CN=C2OC)=O)CC3,UAZQLHQGKUYIOR-RAMGSTBQSA-N
+9137016B7E06E7A2_756913A920533BF6_6038_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C(=O)[C@]34C[C@H]3[C@H](F)C4,JMBZHUSCGUHWQC-ZACDLQBASA-N
+9226A0EA2BBA9192_D29262AAB599F0DA_6041_DP,OC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)NCC3NC(OC3C)(C)C)F,MOVPFHQODQZTPO-MDZYGYFASA-N
+93D4CE96C7D31B0C_824DFDD4CC53FFE7_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC(C3=N[N](C=C3OC)C)C,KRAQXYKGVACLPK-VXRWAFEHSA-N
+944FB3EBE794C020_EEED9B3B94350265_6031_UN,COC1=C(C=C(C(=C1)F)C(=O)OCC2C[C@H](C)O[C@@H](C2)C)OC,ZLLJCNCGXFMXHD-FOSCPWQOSA-N
+94FE389851F5F706_EA4E7541536110E0_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NCC34CC(C(OC)=O)(C3)C4,QTZAHWFIDTXWRP-FYROIQCASA-N
+9566C94CB0000765_FBE440E26F30B06A_6038_DP,CCOC(=O)C3=C(NC([C@H]2[C@H]1CC[C@H]1CN2)=O)CCC(C)C3,JTXXDJGAAFRMLD-ITNQCEGQSA-N
+959A83E6F59B7082_FFF09AB0372999B7_6031_UN,COC1=C(C=C(C(=C1)Cl)C(=O)OCC2C[C@H](C)O[C@@H](C2)C)OC,ZNKPCIQKMYAEOI-FOSCPWQOSA-N
+9634E2B5C4A4B57B_6C86B6B4ECDCD457_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NC(C3=N[N](C=C3OC)C)C,OHNCZLLZZJZPKC-JCBFREDQSA-N
+9A02D8F2A9CD1FC8_AB0AFE3998BD794C_6029_UN,N(C2=C1C=CC=CC1=C(C=C2)[N](=O)=O)[S](C3=NC4=C(C=N3)C=CC=N4)(=O)=O,RTEOZGZFBKIPTF-UHFFFAOYSA-N
+9AC48E4AEF224F27_B5FAFC3B63D13DEA_6006_UN,O[S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC3=C(N(C)C)C=CC=C23,LLNJRZGKBDYSMF-UHFFFAOYSA-N
+9CC064ECEE14C50B_68224ADE1E4CC4AB_6041_UN,SC4=NC1=C(C=CC(=C1)NC2=CC3=C(C=C2)C=CS3)C(=O)N4C5=CC=CC=C5,SFPJAAZBTULUTD-UHFFFAOYSA-N
+9CD96FCC9EF9D965_B8A93715E8BD7E9F_6038_DP,OC(=O)[C@]14C[C@H]1[C@H](NC(C3CC2=C(C=C(OC)C=C2N3)C)=O)C4,SAAGMHCDXHRMQP-UFLXHATESA-N
+9E1B487ECE16B0F0_35D789C95895DDCB_6028_UN,N(CC1=CC(=CC(=C1)Cl)I)[S](C2=NC(=NO2)C4=CC3=C(C=CC=C3)O4)(=O)=O,MNIZODSAPPWIRM-UHFFFAOYSA-N
+9ED4580777FB51F0_A533CFEEBAF293A0_6034_UN,NN1CC(=O)C(=C1N)C3=NC2=C(C=CC=C2)N3CC4=COC(=N4)Br,SNORNZDYEFMJEQ-UHFFFAOYSA-N
+9EE19855CA3F0D0B_FBBAD6493518AD01_6038_UN,C[C@@H]2CC[C@H](COC(C1=NC(=CC(=N1)OC)OC)=O)O2,JUGJPSXCYMWUOU-RKDXNWHRSA-N
+A355D3DF54C40230_A884E58E6C25A806_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN(C2=O)CC3=CN=C(N)O3,NIWIYCFMZCPJKI-UHFFFAOYSA-N
+A710B2B981382CBE_668F15132FEF85D9_6028_UN,N(C2=C1C=CN=CC1=C(C=C2)[N](=O)=O)[S](C3=NN=C(C=C3)C4=CC=CO4)(=O)=O,BGAWVGNOFHMZGH-UHFFFAOYSA-N
+A768C47C586B45AC_9DD096A27F8EC59F_6038_DP,N3CC(COC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3,PFPNHSLNPCYFJV-GXTWGEPZSA-N
+A8219929D730CA4B_91603E0295ED452E_6029_UN,N(CC1=C[N](N=C1)C2=CC=C(C=C2)Cl)[S](C3=CC=NC4=C(O)C=CC=C34)(=O)=O,OMXIJTWGCZTWKR-UHFFFAOYSA-N
+A8B58FA73B67B821_C68995D9684A63A3_6038_DP,COC(=O)[C@H]1NC[C@H](C1)NC([C@]23COC[C@H]2CN(C(OC)=O)C3)=O,LXHCTZIZUMLTAO-DZHLUBAWSA-N
+A9281A31DD50DC29_4B1A35EC7614D853_6031_UN,CC[C@H]1C[C@H](NCC1)C(=O)OCC2=CN(C(OC)=O)CCC2,AEHIUCZOXSRMOJ-OCCSQVGLSA-N
+AA467E728E1EFAF0_C4891A4D6152CDE7_7019_UN,O=[N](=O)C1=C(C=CC=C1)C=CC3=C2OCOC2=CC=C3,URODTLJFSIPLEA-UHFFFAOYSA-N
+AABAE59159E3F8B8_FF5FF299106A61FA_6031_UN,COC1=C(C=C(C(=C1)I)C(=O)OCC2C[C@H](C)O[C@@H](C2)C)OC,ODEDOIJMBZIZPO-FOSCPWQOSA-N
+ABCF64F68576E048_12B9C90B3B148EAC_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=CC=CC5=C4[NH]N=C5O)(=O)=O,RZOMNIBGOQMMDD-UHFFFAOYSA-N
+AD1F440ED9F97C3D_85D737BDF5A6DF25_6041_UN,O=[N](=O)C1=CC(=C(C=C1)S)NCC2=COC(=N2)C3=CC=CS3,FHPVRNHYHNLAQH-UHFFFAOYSA-N
+AFDF3F247CE8ECFE_E7D1AE089BA39759_6035_UN,O(C1(CC2CCC1C2)C#C)C3=NC(=NC4=C(C#N)C=N[N]34)S,VMJVKNAJXWRMIE-UHFFFAOYSA-N
+B074A63C4434790C_4C78A89DD0A15936_6041_DP,COC(=O)C(=C)C1=CC=C(C=C1)NC24CC(OC23CNC3)(C)C4,NCFHWRLYFCYBMM-UHFFFAOYSA-N
+B2860C177C8736F9_FAECEAF8DFF99850_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CN2C[C@H]3[C@@H](CNC3)C4CC4)[S](=O)(=O)Cl,JKSVCPSLBOUFNW-FZMZJTMJSA-N
+B41048953434390D_B31D3687B4885422_6038_UN,C[C@@H]3CC[C@H]([C@H](OC(C2=CC1=C(C=C(OC)C=C1OC)N=N2)=O)C3)C(=C)C,VOWZIIHLFKWZNV-IAMHBRQHSA-N
+B5AF01A9AFF696DA_7C26BF2A6AFD0E93_6031_DP,NCC13CC(C1)(C(=O)OCC2=NC(=CC(=C2)OC)Cl)C3,YQWLYVVVGHMMDQ-UHFFFAOYSA-N
+B5AF01A9AFF696DA_87F7B371E1F7411C_6031_UN,NCC13CC(C1)(C(=O)OCC2=NC(=CC(=C2)OC)Cl)C3,YQWLYVVVGHMMDQ-UHFFFAOYSA-N
+B60B52AFC10FE62A_823BE7961287517F_6035_UN,CC(N)C(OC1=NC(=NC2=C(C#N)C=N[N]12)S)C(F)F,VXJKNOFZXARWCU-UHFFFAOYSA-N
+B9FA4A218BE1563F_7CD004CB636E0836_6003_UN,O(C1=C(C=CC=C1)S)C3=CC2=C(C=N[NH]2)C=C3[N](=O)=O,CUMPCFDVMGKQQP-UHFFFAOYSA-N
+BA03AE7EAB6324AB_C0C51370DDAED34D_6041_UN,O=[N](=O)C1=CC2=C(C=C1)ON=C2NC3=CC=C(C=C3)S,DUPYBYVHBZJZKQ-UHFFFAOYSA-N
+BA84477FD871ECCC_58F1FD170F62CBFC_6038_DP,OC(=O)[C@]14C[C@H]1[C@@H](NC(C3CC2=C(C=C(OC)C=C2N3)OC)=O)C4,VXNKBLJXVZIQCJ-UPQLMERFSA-N
+BAB7D3EA6A3B1E3E_EADA9286200D8C38_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NCC3=C(C(=C(OC)C=C3)OC)OC,KLZPHGFEIQZDEC-VXGBXAGGSA-N
+BADF41B3D8B1DF50_1F41075C45D3AC59_6038_DP,COC1=C(C(=CC(=C1)C)OC)COC([C@H]2CC[C@@H](C)CN2)=O,VYEOIIGIJNVBAT-BXUZGUMPSA-N
+BAE0F49D62B105CD_79BA81EAA10C1539_6031_UN,C[C@H]1O[C@H](CNC1)C(=O)OCC2=CN=C(OC)C=C2OC,FMQMQWZMGCTKNE-BXKDBHETSA-N
+BAF4E7417E2F7E97_088981040BF743B7_7019_UN,O=[N](=O)C1=C(C=CC(=C1)C=CC2=C(O)C3=C(C=C2)OCO3)Cl,GBWFJZKITJBHGM-UHFFFAOYSA-N
+BF936B86FB0BA149_8A79292F8542C03F_6031_UN,O(C(=O)[C@@H]1C[C@H]1C2CNC2)C[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,AXSNUXKTTOPMHL-YVECIDJPSA-N
+BFA6FBE871CDEBC7_E4E53C13E0F95222_6034_UN,NC1=NN=C(N1C[C@H]2C[C@@]2(C(OC)=O)Cl)C45CC3CC(CC(C3)C4)C5,CVHIGASEZNRZSD-GWBXUQCBSA-N
+BFBE9555CE887A73_81F0CCC961C6860A_6038_UN,CCCOC1=C(C=C(C=C1)COC(=O)[C@@H]2CCO[C@H]2C3CC3)OC,TXGFOLPYOKSZFD-QAPCUYQASA-N
+C134A9A356EAE022_20ABAC59265F58F3_6031_UN,O(C(=O)[C@@H]1C[C@H]1C2CCC2)CCCC3=NC=C(C(=C3C)OC)C,HBQUSMYZKWRJIG-JKSUJKDBSA-N
+C3F668ABF5DCAD9C_1F4A26074A011882_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC34CC(C(OC)=O)(C3)C4,PVNSCXVLMCCNHP-ZHPKYIQNSA-N
+C53597A8F8CC6A56_68F2F888D2364D3F_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)NC34CC(C(OC)=O)(C3)C4,ROOKQXOTVXYBMJ-IQFARLITSA-N
+C8567547CA2C3E85_FC800D648584DEA6_6041_UN,OC(=O)C1=C(SC(=N1)N[C@H]3[C@H](C2=CC(=C(C=C2OC)C)OC)C3)C4CC4,DGZSADROMDTOGI-WCQYABFASA-N
+C99564EADD9937E1_CD009B522B896FAC_6029_UN,N(C2=C1C=CC=C(C1=CC=C2)O)[S](C4=CC3=C(C(=NO3)O)C=C4)(=O)=O,JHKPCLHDPNPJAM-UHFFFAOYSA-N
+CCD559081C0804A9_D51C7873749F56AB_6041_UN,O=[N](=O)C1=CC2=C(C=C1)ON=C2NC3=CC(=CC=C3)S,RRFHTELGEPBIEX-UHFFFAOYSA-N
+D0DCAE1FED6D8DAC_2D25A338C51CB267_6029_UN,OCC12CC(F)(C1)CN(C2)[S](C3=CC(=NC=C3)C#N)(=O)=O,WGXYYEGVOUKZGD-UHFFFAOYSA-N
+D24FBFFF8741BCE4_422563F3B2175346_6041_UN,O=[N](=O)C1=CC2=C(C=C1)ON=C2NC3=C(C=CC=C3)S,QDPKTCCUQCZCJE-UHFFFAOYSA-N
+D27AA76081D5CE0B_0CC039DF85D9B006_6038_DP,OC(=O)[C@@H]1CC[C@H]1COC(C3=CC2=C(C=C(OC)C=C2OC)N=N3)=O,LWONGIRWKSBVHM-GXSJLCMTSA-N
+D31DE698C2DEA7F7_1FE61119CB30E47C_6029_UN,OCC12CC(F)(C1)CN(C2)[S](C3=C(C=CC=C3C#N)C#N)(=O)=O,ZLVZYZDVOGMUDF-UHFFFAOYSA-N
+D410F844CA2C7218_63FAD6586A9762D2_7019_UN,C(C1=CC=C(C=C1)C2=CC=CS2)=CC3=CN=C([N]3C)[N](=O)=O,IOLZQAXQKOHEKL-UHFFFAOYSA-N
+D421EFA3490CFC97_E96F71D0BB392B58_6038_UN,CC1(C)[C@H]3C[C@@H]1C(=C)[C@@H](OC(C2=C(OC)N=CN=C2OC)=O)C3,IAZICZNNXSQQEF-TUAOUCFPSA-N
+D775ABFF27549DDA_9219DD4ED74A13F1_6029_UN,N(C1=CC2=C(C=C1)OC=CC2=O)[S](C4=CC3=C(O)C=CN=C3C=C4Cl)(=O)=O,SRUGMZUVGZZQTE-UHFFFAOYSA-N
+DAB8A31C78657CF8_B613C41894DA5B89_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CSC(=C2)NC34CC(CC(OC)=O)(C3)C4,JDKLRMJROJNKRP-FYROIQCASA-N
+DB40591F1910813B_AE2690965DD56F55_6029_UN,N(C2=C1C=CN=CC1=C(C=C2)[N](=O)=O)[S](C3=CC=C(C=C3)C4=NOC=N4)(=O)=O,UKSOMUOTNGFAJF-UHFFFAOYSA-N
+DC0769ECB5A11CD7_D1B33745CE87B272_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)NCC=CC3CC3)F,MNVZZNIBCIUGST-CJNGLKHVSA-N
+DD2C260A2184D61D_9598D8F05F8AD8A2_6035_UN,NCC34CCC(COC1=NC(=NC2=C(C#N)C=N[N]12)S)(CC3)OC4,RMNLBKJQPLMTQX-UHFFFAOYSA-N
+DFACE4B65915413E_F9031BBBC483BE58_6035_DP,OC(=O)[C@H]1C[C@@H]([C@H](C1)N)OC2=C(C=NC3=C2C=C(OC)C=C3OC)C#N,DFRNPAOGQFQDKP-IIMNLJJBSA-N
+DFE8532549B395F4_1468A740C4B52298_6038_UN,CC(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3=NOC(=N3)O,MQOWVRWBVIIDKM-OJBNZGHXSA-N
+E2685E907745593C_219DF3EA2C7E6FB8_6034_UN,SC2=NC=C(CC1=CC=CC=C1)C(=O)N2CC3=C[N](=CC=C3)=O,XYMOAKSIYXZGFU-UHFFFAOYSA-N
+E386F068FF051653_C14597648D1FA4A9_6039_UN,CC1(C)[C@H]4C[C@@H]1C(=C)[C@@H](OCC2=NC(=NO2)C3=CC(=C(C=C3)OC(F)F)OC)C4,IYAACKXSPFANSN-LZWOXQAQSA-N
+E5BAB5B595008846_0351A9F9C54F22EA_6038_DP,OC(=O)[C@]14C[C@H]1[C@@H](NC(C3CC2=C(C=C(OC)C=C2N3)C)=O)C4,SAAGMHCDXHRMQP-FCHVFJIFSA-N
+E5EE08B1BDA2F5BA_518CEF1565C4028F_6034_UN,ON=C2N(C1=C(C=CC=C1)OC2=O)C[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,REFAEUYAXIYKRS-GHMZBOCLSA-N
+E7409D6BDCC551CF_6650F78CA927965F_6035_UN,NC1(C3CC2CC(CC1C2)C3)COC4=NC(=NC5=C(C#N)C=N[N]45)S,UUGUJTNDKWZIMT-UHFFFAOYSA-N
+E92BA1D594F21426_64A7D64C9B4212B3_6041_UN,O=[N](=O)C1=C(N=C2C=CC=C[N]12)NC3=CC(=CC=C3)S,BRBIIFGHWWEUMS-UHFFFAOYSA-N
+EB51729D8A32E08C_EE1592CD41FBF55D_6038_DP,COC1=C(C(=CC(=C1)C)OC)COC([C@@H]2CCO[C@H]2C3CCNCC3)=O,SVOCDORWSQJFPR-BEFAXECRSA-N
+EC729D062AA8CCCE_D1EEC252AA01FBBC_6041_DP,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)N[C@H]4CCNC4,CPWJFVNWBOLKPN-IDFMNXDXSA-N
+ECBF2E6E37A9D306_A31004ECC52183EB_6031_UN,CC13CCC(CO1)(C(=O)OCC2=C(OC)N=CC(=C2)Br)C3,HLHYEEYFCURUFJ-UHFFFAOYSA-N
+EE42A170760BF585_D091D6C3B8F7C674_6038_DP,COC1=C(C(=CC(=C1)C)OC)COC([C@H]2CCC[C@@H](C)N2)=O,JGVVQMOZVGLTIN-TZMCWYRMSA-N
+F2E91B7BB42E2B76_22FDDA7F5560F836_6031_UN,C[C@H]1[C@H](C[C@H](NC1)C(=O)OCC2=NC(=C(C=C2C)C)OC)C,NCBFWXIZOLKOJN-GDLCADMTSA-N
+F7370EE7F026E2A9_EF2AC26D8EDFEF08_6028_UN,N(C2=C1C=NC=CC1=C(C=C2)[N](=O)=O)[S](C3=NN=C(C=C3)C4=CC=CO4)(=O)=O,PEJWBSPZISVJNN-UHFFFAOYSA-N
+F81786C26B2D0941_4A9734156F4AD1EE_6029_UN,N(C1=C(C=C(C(=C1)[N]2C=CC=N2)F)[N](=O)=O)[S](C3=CN=C(O3)C4=CC=CC=C4)(=O)=O,WCKNQJOGJXJYAJ-UHFFFAOYSA-N
+F89CFD0366E936DA_916006F3737DBA2C_6038_UN,COC1=C(C=C(C(=C1)OC)OC)COC(=O)[C@@H]2CCO[C@H]2C3CC3,NXIZKOCNBBDYPK-DYVFJYSZSA-N
+F9718F945FA922CC_A135F9732AECDB1E_6039_UN,CN1C4CCC1CC(COCC2=NC(=NO2)C3=CC(=C(C=C3)OC(F)F)OC)C4,XBWCVGSJZOFRJT-UHFFFAOYSA-N
+FACA40489AFBBC28_80AAA266669B4E8B_6038_DP,CC1CNCCC1NC([C@@H]2C[C@H]2C3=CC(=C(C=C3OC)C)OC)=O,JTZUZCWKJFROPZ-GOPBEWJXSA-N
+FCBE17BF1F054681_1CD96E398F6707C3_6028_UN,N(CC1=NC=C(O1)C2=CC(=CC=C2)Br)[S](C4=NC3=C(C=CC=C3)[NH]4)(=O)=O,FQNXHCDLOXRETD-UHFFFAOYSA-N
+FE495788D1D502D0_A007F214ADEA2CFE_6038_UN,C[C@@H]3CC[C@H]([C@H](OC(C2=CC(=C1C(NC(=NC1=N2)O)=O)C)=O)C3)C(=C)C,LFQQGIWOODSJHU-SCDSUCTJSA-N
+rxn:2:75009:101309,,