Added 167 molecules from epoch 17303 for Q4QQW4

Q4QQW4_molecules.csv

@@ -34429,3 +34429,170 @@ rxn:2:98334:116388,CC(=O)c1cc(C#CCSC(C)Nc2cc(C(C)C)nc(N3CCN(C)CC3)n2)cs1,KVNINQH
 rxn:2:99349:100695,CC(C)CN(c1ncc(C(C)NCC2CCC(N(C)C)CC2)s1)C(C)C,CGSQCPJFFJJREA-UHFFFAOYSA-N
 rxn:2:99439:124533,COCC1C(F)(F)C12CCC(Nc1[nH]c(C)nc1N(C)CCC(C)C)CC2,OVZVKASEGBOOIZ-UHFFFAOYSA-N
 rxn:2:99569:143495,CC(NC1COCCCC1O[Si](C)(C)C(C)(C)C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,HDAWYBKJAIZLMK-UHFFFAOYSA-N
+00864FBCB4A210C2_CB15C299200784EC_6034_UN,BrC1=CN=C(N(C1=O)CCOCCNCCN(C)C)C2CCC2,USRSLWNBXORBPF-UHFFFAOYSA-N
+05CBAA3CACCC0930_90B18D0B94DD50F6_6034_UN,CC1=CN(C(=O)N=C1N)CC3=CC=C(C2=C[N](C)N=C2)C=C3,AANWNQXAJAACCF-UHFFFAOYSA-N
+07B7AB823AF1CBE0_D6911D9D43FD0609_6029_UN,N(C1(CSC1)CC(=O)O)[S](C2=CC(=CC(=C2)OCOC)F)(=O)=O,GZSXAMAIPWIFOG-UHFFFAOYSA-N
+085DB36143DCDBE4_C1CD42B1D3FD1E18_6041_UN,O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)N[C@H]4[C@H](C3=CN=C(OC)C=C3)OCC4,VUWYLVFZUIMMKC-KUHUBIRLSA-N
+0A9A56478718AF4B_897D6643992B4082_6035_UN,O(C1(CNC1)C2=C(C=CC=C2F)F)C3=C(C=C(C)C=N3)[N](=O)=O,XEUUEEJQRJDUQO-UHFFFAOYSA-N
+0E364CBD17C50556_10B9CBA4AB2F22AA_6034_UN,CCC1=CC(=NC(=O)N1CC4=C(N2CCCN(C)CC2)N=C3C=CC=CC3=C4)C,LAOSZXKMQUHBBC-UHFFFAOYSA-N
+102DC6C204219922_FAA6D1F7B09DF61A_6031_UN,CC2=NC1=C(N=CC(=C1)C(=O)OCC#CCCCCCCCCC)[NH]2,WBMUVNOVCSLAQE-UHFFFAOYSA-N
+10F802DFCB3F78DE_4987D5FBD6E2B6B5_6041_UN,O=[N](=O)C4=CC1=C(N=CN=C1NC[C@H]2C[C@@H](OC)CN2C3=NC=NC(=C3)N(C)C)S4,SGZVMVAWCRZFAT-VXGBXAGGSA-N
+110467C4109905F4_E3F2015FA5C5E587_6026_UN,C[N]1C=CC(=N1)[S](=O)(=O)NC2(CC2)C3=CC4=C(C=C3)OCO4,OWZJUPKURSKTKT-UHFFFAOYSA-N
+11560BF8E0747705_693FFA4E7573FE72_6041_UN,C2(=C1NC(NC1=NC=N2)=O)NCCCN(C(C)C)C(C)C,OLJTXPUSASDZAR-UHFFFAOYSA-N
+11764E50B7674FB8_F61541FC926181A4_6034_UN,BrC1=CN=C(N(C1=O)CCOCCNCCN(C)C)C2CC2,DPEPHNIGKRUHJQ-UHFFFAOYSA-N
+14BDD090A7885A0E_94879EACAA2225C1_6034_UN,ClC1=CN(C(=C1)C(=O)N2CCNCC2)CC4=C(OCCOC)C=C3OCOC3=C4,DVEUXZGOROQCKG-UHFFFAOYSA-N
+1640ECE2F31001B8_6A98B143F7736852_6034_UN,NC1=CC2=C(C=C1)N(C(=N2)C3=CC=CO3)C4=CNC(=CC4=O)C,HFQZGUZYBXGCPX-UHFFFAOYSA-N
+1D3D96F79F7DA47B_99B7713EEDFF857F_6003_DP,O(C2=C1C(=CC=C(C1=NC=C2)F)F)C4=C3CCNCC3=C(C=C4)[N](=O)=O,QAGNPZAKXQMLHB-UHFFFAOYSA-N
+1DBDAC97BB73D494_4AD9279CA1FF2512_6029_UN,N(CC1=C(C=CC=C1O)O)[S](C2=CC(=CC3=C2C=CO3)OC)(=O)=O,LCMBCJBJUFKJEY-UHFFFAOYSA-N
+1EB24EA16B1483F7_5F6CF5EF7C6CBC75_6026_UN,[S](=O)(=O)(C1=C(SC=C1)C2OCCO2)N[S](=O)(=O)C4=C(C=C3OCCOC3=C4)Cl,GKRXRPMLKACCMQ-UHFFFAOYSA-N
+1FF128D007499F5C_5E4AA479301CBAE8_6029_UN,CC[N]3C=C(O[C@@H]1CN(C[C@H]1O)[S](C2=CC(=C(C=C2)O)OCOC)(=O)=O)C=N3,SNRNSLBIMMSAHU-NVXWUHKLSA-N
+2057B0EA3C9DB396_2BB28FD23E647E82_6029_UN,CCN1C(C2(C1)C[C@H]([C@@H](C2)N[S](C4=CC3=C(C(=C([N](=O)=O)C=N3)Cl)C=C4)(=O)=O)O)C(C)C,PGNXRPUNWZKWCE-SPNPKDGLSA-N
+20DA3752E6B43516_87EBBE1744CE8FE6_6029_UN,N(CC1=C(C(=CC=C1)O)O)[S](C2=CC=CC(=C2O)OC)(=O)=O,KPEHJPKYCUVVRL-UHFFFAOYSA-N
+220278AD5A5EE131_F06853A7286E3780_6026_UN,FC1=C(C=CC(=C1)C2OCCO2)[S](=O)(=O)N[S](=O)(=O)C3=CC4=C(C=C3)OCCCO4,DCGIHVUQGDUPIK-UHFFFAOYSA-N
+22D3E4E1068886B7_9B1B03195D6E33A4_6038_UN,O(CC1(CC1)C=C)C(CC2=CSC(=N2)SCCN(C)C)=O,POXUUEQMAJEWNH-UHFFFAOYSA-N
+236E89DE250998B7_770F991BB5AD28B3_6038_UN,CO[C@@H]1CN(C[C@@H]1NC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N)C3=NC(=NC=C3)N(C)C,ANUPMJLLFKYZHQ-ZWKOTPCHSA-N
+242BEB3A69712937_5840BBE5A49C61BA_6041_UN,CC1=NC(=C(C(=C1)C)C#N)NC2CCN(C2)C3=C(C=CC=N3)F,YTGHJLDOAQQBSK-UHFFFAOYSA-N
+27FD357246F57232_0C3B5091AB7068BF_6029_DP,CCOC(=O)C5=C(N[S](C3=CN=C(N2C[C@H]1CCNC[C@H]1C2)C=N3)(=O)=O)OC4=C(C=CC(=C4)O)C5C6=CN=CC=C6,GCEMQJZTUXHNMV-VSVPBVKKSA-N
+2893C65C22B6C9F5_97D45BEBAB83AC06_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CN=C(C(C)=C)N=C2)(=O)=O,ZOYMCGOZIKLAIF-UHFFFAOYSA-N
+29483CEA102FDEF7_62EFEA4BE0119CD0_6029_UN,N(CC1=C(C=CC=C1O)O)[S](C2=CC(=C(C=C2)O)OC)(=O)=O,OVHVJOZIYSMMLS-UHFFFAOYSA-N
+2FFA052DB4EDE0F1_B683B8FE238D5E68_6026_UN,COC1=NC=C(C=N1)[S](=O)(=O)N(CC2CC2)CC3=CC4=C(C=C3)OCO4,XGNFRDQPQJFXBB-UHFFFAOYSA-N
+30334AC46C0705AB_F29C33581A937820_2267_UN,FC1(CNC1)C#CC2=CC=CC(=C2)[N]4C=C(C3=CC=CC(=C3)[N](=O)=O)N=N4,OJPZRMHDFHVXKQ-UHFFFAOYSA-N
+33897713F5D41FA8_5657312BF94DD445_6041_UN,CC1=NC(=CC(=C1)C#N)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,UBSWGKYXBAICKC-UHFFFAOYSA-N
+35C4965E3DE8348F_EA01F9FD21621A85_6041_UN,CC1=N[N](C(=C1)NC3=CC=CN(CC2=CC=C(C)C=C2)C3=O)C,GFJGXASHBQPXKL-UHFFFAOYSA-N
+35D7840DC1BCA8B8_D60619C93E5762CB_6029_UN,N([C@@H]1C2=C(CCC1)C(=CC=C2)[N](=O)=O)[S](C3=CC4=C(N=C3)C(=CC=N4)I)(=O)=O,ZAPRDBUKENMKSN-HNNXBMFYSA-N
+362FC1A9A7166272_5EFDB4564AAC6711_6034_UN,FC2=C(C(=C1N(C=C(C(C1=C2)=O)C#N)CC3=CC=NC(=N3)N4CCN(C)CC4)F)F,OMOLUHNHUDXHLZ-UHFFFAOYSA-N
+36EB326D8488949C_DD643B01F4A73E03_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=C(F)C=C2)F)NC3=C(OC)N=C(C=C3)N4CCOCC4,PMFDVZNJNAZCBD-UHFFFAOYSA-N
+3A43E3FF16E82108_F2DF32C7FBEDDA4A_6029_UN,N(CC1=C(C(=CC=C1)O)O)[S](C3=CC=C(C(O)C2CC2)S3)(=O)=O,YHBAWHRVWWCQPM-UHFFFAOYSA-N
+3B646BBB2AFBFE23_FCB3137758AA4230_7022_DP,C1(=C(C(=CC=C1)C#N)Cl)NC2=C([N](N=C2C)C)C3CNC3,UXTRZOYZXYZHQP-UHFFFAOYSA-N
+3D55ECB5F2E3C9B9_56E76F67A4E2A239_6029_UN,N(C1C3(C12CC2)CC3)[S](C4=CC(=C(OCCCN(C)C)N=C4)C)(=O)=O,YWVFFSFLUPZQHW-UHFFFAOYSA-N
+3D73E35C9E0BD7A3_0AC39471827CBB18_6029_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2CCCCC2)[S](C3=CC=C(C=C3)[C@@H]4CO4)(=O)=O,RWOFISAWOKJIQI-FQEVSTJZSA-N
+3E0683997BE5CECD_438EB3AEDDEE8639_6038_DP,N(CCCNC(=O)C1=CC=CN2CCCN=C12)CC3=CN=CC=C3,JTWROORZEBUMSZ-UHFFFAOYSA-N
+4148BD35ED3AA177_7C5BE3EA1ED5B506_6034_UN,CC1=CN=C(N1C2=CNC(=CC2=O)C)C3=CC=C(C=C3)N,SGXWDQKJYUZXHO-UHFFFAOYSA-N
+426DEA2FB09D931C_9ECAEFDF78436788_6041_UN,C1(=CC2=C(N=C1)NNC2=O)NCCN(C(C)C)C(C)C,YEAVIVMMYLBJQO-UHFFFAOYSA-N
+430C258A56C85C09_5FBFBC3897E40109_6029_UN,N(C[C]1(C[C](C1)=[CH2])C(=O)O)[S](C2=CC=C(CCl)S2)(=O)=O,NUNSGTZMNDBPCO-UHFFFAOYSA-N
+43703D50F690E1D5_EB5F0DF329F72199_6029_UN,C1C(CO1)N2CCN(CC2)[S](C3=CC=NC4=C3C=C[N]4COCC[Si](C)(C)C)(=O)=O,XSJPIMBDXMDHPO-UHFFFAOYSA-N
+43931C3ABFA127FC_66188F93C3AA029A_6026_UN,[S](=O)(=O)(C1=CN=C(S1)C2OCCO2)NCCN3CCN(CC3)C4=NC=CC=N4,PNIBBRSNAWXSGC-UHFFFAOYSA-N
+479AA5DA085F8BF3_62FC0E6D8DE90605_6038_UN,CC1=N[N](C(=C1)CNC(C=CC2=C(C)C=CC=C2)=O)C,DOQQYGKKTUAOLJ-UHFFFAOYSA-N
+49DA1854065226B9_0AB9B6C1875CA0BF_6029_UN,O[C@H]1[C@H](CC3(CN(C1)[S](C2=CC(=C(OCCCN(C)C)N=C2)C)(=O)=O)CC3)O,XJDIKAOESAXKEL-DLBZAZTESA-N
+4B4E4A2CD0C966BB_281BC3CB0EAEDF87_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C3=NC2=CC(=C(C=C2S3)OC)OC)(=O)=O,BONSFMFUDZZTSE-UHFFFAOYSA-N
+4C699BB6C2F8CD39_F484F6DE9E2F7375_6029_DP,O[P](=O)(O)OCCCN(CCCl)[S](C3=CN=C(N2C[C@H]1CCN[C@H]1CC2)C=N3)(=O)=O,WDZNQURAZGTIMK-KGLIPLIRSA-N
+4C6B5C5CEA972428_0F99A59A3E413C27_6041_UN,CC(C)C1=NC(=C(C=C1)C#N)NC2(CC2)C3=C(C=CC=N3)F,CFSWCUNFAIBCRA-UHFFFAOYSA-N
+4CB091A236FA3862_09AE084EB433B44A_6029_UN,N(CC1=C(C=CC=C1O)O)[S](C2=CC=CC(=C2O)OC)(=O)=O,FMBNDSNTRUEYDJ-UHFFFAOYSA-N
+4D4F884C380476D8_153007BF87356E07_6034_UN,IC1=CC2=C(C=C1)N(C=C(C#N)C2=O)CCOCCN3CCNCC3,PBVPEDHICTWTHY-UHFFFAOYSA-N
+4DEC02B9BC671475_5C8FCB0E6E930AB2_6026_UN,CC1=C(C=C(C(=C1)[N](=O)=O)[S](=O)(=O)NC2(CC2)C3=CC=C(Br)S3)F,CIDDGHJJOSHVSH-UHFFFAOYSA-N
+4F84F8B44D25D0BE_229A00EB574EF28D_7019_UN,CC(C=CC2CCN(CC1CCC1)CC2)CC(C)(C)C,WJCCNXCHTPJDST-UHFFFAOYSA-N
+55470EA63EE5576D_ED933EE9E647DF4F_7019_UN,CCCC(C)CCC=CC1CCCCCCCCCCC1,OUQGZGRTMFITAU-UHFFFAOYSA-N
+556231EBF12FEA43_28D834A15CC86C4B_6029_UN,N([S](=O)(=O)C2=C1OCCOC1=CC=C2)[S](C3=CC=C(C=C3)C4CCO4)(=O)=O,QBHYAXKACKDOSG-UHFFFAOYSA-N
+55B48C8E39A5716E_94A1C37CD898FB22_6041_UN,CON(C)C(=O)C1=CSC(=N1)N[C@H]4[C@H](C2=CN=CC(=C2)C3=C(ON=C3C)C)OCC4,IEOKDEOAFPGBRQ-QAPCUYQASA-N
+58C9BA3962ED070D_4463449C71DC3C67_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC[C@H]2N(C[C@@H](OC)C2)C3=NC=NC=C3)OCC4CC4,ILGMLGZZMBVRKT-IRXDYDNUSA-N
+58F3E6125F690A82_584BB5DD48492195_6034_UN,CC1=N[N](C(=C1)N)C2=NC(=C(C)C(=O)N2CC3=C[N](=CC=C3)=O)C,VHHCAMVQVYNBDZ-UHFFFAOYSA-N
+5A90B048E277C63D_48B663B04D9543E9_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=C([N](=O)=O)N=CC(=C2)F)(=O)=O,NAXRDBYKHAXXLT-UHFFFAOYSA-N
+5BF5F16CE32F16F8_ECAA5C1210ECA77C_6029_UN,N(CC1=C(C(=CC=C1)O)O)[S](C2=CC(=C(C=C2)O)OC)(=O)=O,YAWBDRSZPDVUGR-UHFFFAOYSA-N
+5EF9736431A361A0_6DA591F447E5019C_6029_UN,N(C1(CSC1)CC(=O)O)[S](C2=C(OCCOC)N=CC=C2)(=O)=O,MASBYCDDPOYTSQ-UHFFFAOYSA-N
+5F73D51145BCAA59_F74F801CBCA530A6_6026_UN,[S](=O)(=O)(C1=CC(=CS1)C2OCCO2)NCC3=CC4=C(C=C3)C=CC=N4,DCFPILLKGPWDIM-UHFFFAOYSA-N
+5FD536AFB3985457_BAA14AAD1301D562_6031_UN,CC1=NNC(C(=C1)C(=O)OCC(CN(CCC)C)(C)C)=O,ALDXGODGXBYNGM-UHFFFAOYSA-N
+612BD98F687E145C_6A0B01805124CAE9_6034_UN,CC1=NC(=O)C=C(N)N1CC2=C[N](C)N=C2C3=CC=C(C=C3)C#N,GLXLYELWDNGIGR-UHFFFAOYSA-N
+665DD30AF3BFAF4C_DA7B5D551E8CF9F2_6029_UN,N(C1(CCOC1)C(=O)O)[S](C3=CN=C(OCC2=C(OC)C=CC(=C2)F)S3)(=O)=O,QPKFEQATTQWHMV-UHFFFAOYSA-N
+6A3AC8270E97440D_5777B4ED583255C2_6029_DP,N([S](=O)(=O)CC2=C1OCCOC1=CC=C2)[S](C4=CC=C(C3OCCNC3)C=C4)(=O)=O,OXBLQLRPUZSBJF-UHFFFAOYSA-N
+6A48375A5DED3270_3ECB54A0C452E4A4_6041_UN,CC1=NC(=NC(=C1)C#N)NC3=CC(=C(N2CCN(CC)CC2)C=C3)F,WDERISPMADNGDB-UHFFFAOYSA-N
+6A94566F75F3DD64_046E184443673335_6025_UN,C1(=NC(=C(C=N1)C(=O)N)N)C2=CC=C(C=C2)CN3C=CC=CC3=O,VUORVRUIUDZQIB-UHFFFAOYSA-N
+6B5B345659F0A31C_E41192844B5F22E5_6029_UN,N(CC1=C(C=C(C=C1)O)O)[S](C2=CC=CC(=C2O)OC)(=O)=O,LDHLXEWQJXQVQU-UHFFFAOYSA-N
+6C49F8C775DDE43F_49F670915E281D0E_6034_UN,NC1=CN(C(=O)N=C1N)CC2=C[N](C)N=C2C3=CC=C(C=C3)C#N,MNBIFPNLANDWJB-UHFFFAOYSA-N
+6C5ACB21F4491E80_6F8A970C8ECC3B98_6034_UN,NC1=NN=C(N1C2=CNC(=CC2=O)C)C4=C3C=CC=CC3=CC=C4,AZKINILKHUGUPI-UHFFFAOYSA-N
+6C7461519F56101E_7DC6AAAA2A816CB8_6034_UN,O=[N](=O)C1=CN(C2=C1C=C(C=N2)Br)CC#CC3=CSC(=C3)CN4CCOCC4,MVILEJGBXBTUDZ-UHFFFAOYSA-N
+6DA6F1A4F40EF22A_A225E667D76741E1_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(Cl)C=CC=C3)CCC4,GBWFPSOIELTELV-UHFFFAOYSA-N
+735AB9FB50A54B67_7EBD2C5A71497FD1_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=C(CO)SC=C2)(=O)=O,VEKCNNSPJIGJDN-UHFFFAOYSA-N
+74FE295EEC6E5D86_9A7BF2129AEE1841_6038_UN,C[N]1N=C(C(=C1)NC(C3=CC2=C(C=C(C)C=C2)C=C3)=O)N,ZIZBUDFGKKECGK-UHFFFAOYSA-N
+75BD4991D11490D2_6FC976DC2EAE6ECD_6034_DP,NC1=NC(=C[N]1C2=CNC(=CC2=O)C)C3=CC=CC=C3,QQKCPNDMTKAPCT-UHFFFAOYSA-N
+7984593BE2B486CC_FF36B91C0068AA7B_6026_UN,[S](=O)(=O)(C1=CC2=C(N=C1)ON=C2C3CCOCC3)NCCC(=O)N4CCN(CC4)C5=NC=CC=N5,PNGFWPOCZFPUJQ-UHFFFAOYSA-N
+79BD0DE559D5A739_A9057C6335D1F104_6035_UN,O(C1CCN(CC1)C2=C(C3=C(C=C2)N=CC=C3)[N](=O)=O)C5=NC4=C(C=C(N)C=C4)[N]5C6CC6,SHSUDIJJQYQDEL-UHFFFAOYSA-N
+7AF27EE1D88500FD_E7297056C6A4CEF5_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=C(F)C=C2)F)NC4CC(C3=NC=C[N]3C)OCC4,PTFXIVLOVDCZMJ-UHFFFAOYSA-N
+7AFCD739FEF16298_18A5A0E8434F4A27_6041_UN,CC1=NN=C(C(=C1)NC3=CC=CN(CC2=CC=C(C)C=C2)C3=O)C,GMQGUUYCLYTPJS-UHFFFAOYSA-N
+7AFCD739FEF16298_8B5C7D696B79970D_6041_UN,CC1=NN=C(C(=C1)NC3=CC=CN(CC2=CC=C(C)C=C2)C3=O)C,GMQGUUYCLYTPJS-UHFFFAOYSA-N
+7B3612F27ADD2666_38CF7E489294EC0D_6029_UN,N(C1(CSC1)CC(=O)O)[S](C2=CC=CC(=N2)CC(OCC)=O)(=O)=O,PBEABSPAFFQYOE-UHFFFAOYSA-N
+7E50C5E3FC59FBE8_4139A18C63FA6792_6039_UN,O(CC1C(F)(F)C12CC2)CCC[N]3N=C([N](=O)=O)C=C3,KOIBSDISXFFKPT-UHFFFAOYSA-N
+85E50B53109C91AC_148886A5B5056F33_6034_UN,NC1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=C3)C4=CNC(=CC4=O)C,VSAIPFQYMASDGO-UHFFFAOYSA-N
+891BDA0F40CB6DA0_1C0975A54A13CF99_6026_UN,[S](=O)(=O)(C1=C(SC=C1)C2OCCO2)N[S](=O)(=O)C4=C3OCCC3=CC(=C4)Br,CAMOBNUWDPVWAU-UHFFFAOYSA-N
+8B9A2E4145FED469_BCE67781C3454B8F_6041_UN,C1(=CC2=C(N=C1)NNC2=O)NC(CC(C)C)CC(C)C,XVQUGPWZLFJUHJ-UHFFFAOYSA-N
+8CE35D0CBDC10DD1_5C5EE4C2FC910BC3_6031_UN,CCC(CC)(CC2=NC1=C(C=CC(=C1)Cl)[NH]2)C(=O)OCCSC3=N[NH]C(=N3)N,GWLLLERRFNSIBH-UHFFFAOYSA-N
+8E98DC819B93C9EC_BE4AE5940E002CB7_6041_UN,O=[N](=O)C1=C(N=CC(=C1)F)NCC3(C2=CC=CC(=C2C)C)CC3,IUQUFWPCQHJNLV-UHFFFAOYSA-N
+8EB9171DDC97A8D1_C42010355248B841_6039_UN,CC1=NN=C(C(=C1)COCC(N2CCN(CC(N(C)C)=O)CC2)=O)C,UNRCGCCJSIDXGV-UHFFFAOYSA-N
+90AB9EC160818D12_316CD94C25CC7858_6035_UN,CC1([C@@H]([C@@H](C1)N)OC2=CN=C(N(CC(OC)=O)C)N=C2)C,MMKAVVVTGUIDGB-ZYHUDNBSSA-N
+91B40EFE7F2D5E9D_E7AFCABD20239A54_7019_DP,N3CC(C=CC1=CC(=C(C=C1)O[S](=O)(=O)C2=CC=C(C=C2)C)OC)C3,DILNXZRRCVDQMP-UHFFFAOYSA-N
+9359726C76C619EA_A12B18345E24F181_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)NC2(CC2)C3=CC=C(Br)S3)Cl,YBCDYMJVGOEZSI-UHFFFAOYSA-N
+97047262E3F703A0_A4E6F035EA137B1A_6029_UN,N(CC1=C(C=CC(=C1)O)O)[S](C2=CC=CC(=C2O)OC)(=O)=O,UKRGICVSBFVMNY-UHFFFAOYSA-N
+9729823866CCE66C_84585A799968E08C_6035_UN,CO[S](=O)(=O)CCOC1=C(C=CC(=C1)C2CNCCC2)F,KRLXWJZCAQWDIT-UHFFFAOYSA-N
+9786110110073FED_7C2D6719ACAC1A8F_6026_DP,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)NC3C4CCCCNC34,HRLVKXQKSLLBAJ-UHFFFAOYSA-N
+981E5B4966528224_B3E2991CD0395CE6_6041_UN,CC(C)COC1=C(N=CC=N1)N[C@@H](C(OC)=O)CC(C)C,KLYGLCUWTUWEHK-GFCCVEGCSA-N
+985492638DCD0EF0_3B143380331F55E7_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC3=C(C=C(OC)C=N3)F,QFEKPLGWVRICDU-UHFFFAOYSA-N
+98B0D37343775154_413FA8402F7CC4F9_6038_UN,O(CC1=C(C=CC=C1)[S](=O)(=O)O)C(=O)C2(C#CCCCCC2)F,FVAZNVVQNYHRPK-UHFFFAOYSA-N
+9B3E6CAA8CBEFA1F_A1299D0EC23A83B7_6028_UN,N(CCCCN1CCN(CC1)C2=NC=CC=N2)[S](C5=NC3=C(C=CC(=C3)[S](=O)(=O)N4CCOCC4)[NH]5)(=O)=O,SXITYLXTUSVAOF-UHFFFAOYSA-N
+9B644D6CCAB38505_A75A7A49C9E79051_6035_DP,NC[C@H]3C[C@@H](OC2=CC(=C1C=C(C=CC1=N2)[N](=O)=O)OC)CN3C4=NC=NC(=C4)F,IDYLDJSVKWINFE-CHWSQXEVSA-N
+9C53CD8217B82102_366470D47E3D3553_6035_UN,NC1=CC(=CN=C1)COC3=CC(=C2C=C(C=CC2=N3)[N](=O)=O)OC,DDYRHUIUELYWMI-UHFFFAOYSA-N
+A0008C172ECE1927_83F606A428A2EAD5_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC=CC3=CC(=C(C=C23)OC)OC)(=O)=O,RKZWKIPVDXQXEL-UHFFFAOYSA-N
+A064919A25726DBC_6CD0DE28D30FE79A_6041_UN,CC(C)C1=NC(=NC(=C1)NC2=CC3=C(C=C2)OC=CC3=O)C,UPVVCXHBVOGIMK-UHFFFAOYSA-N
+A07D973787B2C617_F8BC54CD434C736B_6031_UN,C[N]2C=C(C=C(C#N)C(=O)OC[C@H]1[C@@H](CNC1)F)C=N2,AHRFKXFTRMAUKK-NWDGAFQWSA-N
+A2A2B634F85D842C_E0CB43DF56D750A2_6029_UN,COC(=O)C3=CC=C(CN[S](C2=C1C=CC=CC1=CC=C2)(=O)=O)S3,MHVZUTMHRAELJB-UHFFFAOYSA-N
+A5690A548BAC9C84_84743A05013F8EEF_6038_UN,CC1=N[N](C(=C1)CNC(C=CC2=CC=CC(=C2)C)=O)C,HICUYMFXDSNOPE-UHFFFAOYSA-N
+A665A0F531CD47CC_1CBEE073BE1F725A_6029_UN,N(C1(CSC1)CC(=O)O)[S](C2=C(OC)C=C(C(=C2)Cl)Cl)(=O)=O,FOLJUJLMPFWFSL-UHFFFAOYSA-N
+ADDA20D873373FF9_2A754FFF693C0A2F_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=C(F)C=C2)F)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,FJRAQRBMHZBTAB-UHFFFAOYSA-N
+ADE2B0632471EDF5_03B4079D753272A2_6029_UN,N(CC1ON=C(C1)C(=O)O)[S](C2=CC=CC(=N2)OCCOC)(=O)=O,PBOJKKRJQWFSFI-UHFFFAOYSA-N
+ADFAEF813B6548DE_CB0E4CC57FDA8FCE_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC(=C2)F)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,VKAOETZSEVUYRN-UHFFFAOYSA-N
+AE2CAACE158CB430_D9ADAC19A7DE0DB2_6041_UN,CC1=NC(=C(C(=C1)C)C#N)NCC2(CC2)C3=C(C=CC=N3)F,JXQPCPGYDFADOE-UHFFFAOYSA-N
+AF4D8FEABCF404B9_C7BAE998F1935DD9_6035_UN,O(C1(CNC1)C2=C(C=C(C=C2)Br)Cl)C3=C(C=C(C)C=N3)[N](=O)=O,SFDIEOAXDZTIAC-UHFFFAOYSA-N
+B1D7E6E5E72ABC99_7C75777778FAA6A2_6035_UN,CC4=CN1C(=NCC(C1)OC3=C2C=CC=C(C2=NC=C3C#N)Br)C=C4,WUMXQHRLORPKCC-UHFFFAOYSA-N
+B2852558F055F6E2_C9A4A6DFDD2C10ED_6034_UN,O=[N](=O)C1=CN(C2=C1C=C(C=N2)Br)CCCN(C)C3CCNCC3,VLEANFAXELOBNB-UHFFFAOYSA-N
+B370ED7BB81E2E15_5C87417CA8DC73EE_6035_UN,O(CC[N]2C=C(CN1CCNCC1)C=N2)C3=C(C=C(C=N3)Cl)[N](=O)=O,LISUCYGZJYETMX-UHFFFAOYSA-N
+B88C6B78D9610F28_6BE8C6AC64E13CD2_6031_UN,O(C(=O)C1=CC=CN2C1=NCC2)CC3=NC(=CC(=C3)OC)Cl,KTDIBSBWPDHIIF-UHFFFAOYSA-N
+BB4DCD384F965835_F1EE17585F5383BA_6041_UN,CC1=NC(=C(C=C1)C#N)NC3=C(N2CCN(C)CC2)C=C(C(=C3)Br)F,WGYKTIXONIAUIQ-UHFFFAOYSA-N
+BC2CE016CD8C4CED_5EC997A5C99A9326_6029_DP,CCO[P](=O)(CN[S](C2=CN=C(N(C)C1CNC1)C=N2)(=O)=O)OCC,NSQDVSMNPGYCFQ-UHFFFAOYSA-N
+BEBDF485DE3BD055_F3A669BE9AF46321_6034_UN,NC1=NC=C(N1C2=CNC(=CC2=O)C)C3=CC=CC=C3,DFBSCYDVQFABTP-UHFFFAOYSA-N
+BF57A964140F6ABA_95D756B4A6363257_6026_DP,[S](=O)(=O)(C1=C(C=CS1)C2OCCO2)NCC4=C[N](C[C@H]3NCCC3)N=N4,JEEJRPBYRLIVEZ-NSHDSACASA-N
+C0F12846D4C2DCCE_526BA36F42D19D71_6034_UN,NC1=CC=C(C=C1)C2=CN(C=N2)C3=CNC(=CC3=O)C,JXBFILJTUUGZJD-UHFFFAOYSA-N
+C11C56B8B60886E5_A42D680CB8BB25C1_6041_UN,C1(=CC(=CC=C1)CN2C=CC(=O)NC2=O)NCC3=C(C=CC=C3)C[N]4C=CC=N4,YXKCZIFRJVTZFY-UHFFFAOYSA-N
+C2C6B7E9806C2E42_67B875594BAFD27F_6041_DP,C1(=CC(=CC=C1)C2=NNC(=O)N2)NCC3=CC=CC(=C3)CNC,SPQXSHOQQKHNRA-UHFFFAOYSA-N
+C3E4B3AA3E18F2C9_4E1435DA91B23D45_6029_UN,N(C1(COCC1)CCC(=O)O)[S](C3=CN=C(OCC2=C(OC)C=CC(=C2)F)S3)(=O)=O,HFRMJARZFUNPTI-UHFFFAOYSA-N
+C52A4E7453AE3911_38FFEC0429E42314_6029_UN,N(CC1=C(C(=CC=C1)O)O)[S](C2=C(OC)C=CC(=C2)O)(=O)=O,WEIQVOHDVPVTJQ-UHFFFAOYSA-N
+C7971896BF188E1A_C49C91C551021EBE_6029_UN,N(CC1=C(C(=CC=C1)O)O)[S](C2=CC(=CC3=C2C=CO3)OC)(=O)=O,GLSNCJZHHQBQTI-UHFFFAOYSA-N
+C89AE94ABDEBBB0B_427F60B7FDA87616_7019_UN,C(CC1CCCCCC1)=CC2CCC(C(C)(C)C)CC2,BSTWMFGHOPPTQX-UHFFFAOYSA-N
+C9A95896996E23B7_747F8648A50D6B96_6026_UN,CC1=C(C=N[NH]1)[S](=O)(=O)N(C3C2=CC(=C(C)C=C2OCC3)C)C4CC4,UBIWHZLFPZHASH-UHFFFAOYSA-N
+C9DA0A4124436F08_F0DD54C08E56DB40_6041_DP,N1CCN(CC1)C2=NN=C(C=C2)NC3=CC=C(C=C3)N6C(=O)C5=C4C(=CC=C(C4=CC=C5)[N](=O)=O)C6=O,QZHUFNIBMNKATL-UHFFFAOYSA-N
+CF2F7DD83A3E2462_75511792B02F39D6_6029_UN,COC(=O)C4=CC1(CN(C1)[S](C2=CC=NC3=C2C=C[N]3COCC[Si](C)(C)C)(=O)=O)OC4,JXOXJMVTYLLXCT-UHFFFAOYSA-N
+CF7CDE6463FE4C36_A192EFF8EAA342E0_6034_UN,NC1=CC(=CC=C1)C2=CN(C=N2)C3=CNC(=CC3=O)C,MGFPYVCTPJXNIH-UHFFFAOYSA-N
+D11497555DA26995_AC81C175B5592726_6041_UN,O=[N](=O)C2=C1C(=CN=C(C1=CC=C2)N[C@H]4[C@H](C3=CN=C(OC)C=C3)OCC4)F,FWSSYYIOTZKLAZ-KDOFPFPSSA-N
+D27993E32D9E5E6C_917FFE691EEFA158_6026_UN,[S](=O)(=O)(C1=CSC(=C1)C2OCCO2)NCCCN3CCN(CC3)C4=NC=CC=N4,PAYIYFNHHPLFJX-UHFFFAOYSA-N
+D5DD1CD5DE2B8EA7_0213F8B946C2AFE1_6026_UN,CC1=C(C2=C(C(=C1)C)C=CC=N2)[S](=O)(=O)N4CCN(C3=C(F)C=CC=C3)CCC4,RXAXAAAPUFXYPE-UHFFFAOYSA-N
+D5FA4F4D7B164597_D1CEBFF42B696273_6029_UN,N([C@H](CO)CCC(=O)O)[S](C1=C(OC)N=CC=C1)(=O)=O,AMWACEVYQAWTEO-QMMMGPOBSA-N
+D825198DE74DCA70_9CE7419D1F1F83B2_6029_UN,N([C@@H]1C2=C(CCC1)C(=CC=C2)[N](=O)=O)[S](C3=CC(=CC4=C3C=CC=N4)Cl)(=O)=O,WWLJJWKBHLMUDJ-INIZCTEOSA-N
+D8ED1F3D60CCF4AE_BDEAC08086E6A851_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)F)NC4=C(N=C(N3CCN(C)CC3)C=C4)C,JPOSBPIAAVDMOX-UHFFFAOYSA-N
+D90545C3BEE2B4D1_F05043C31D978BFA_6034_UN,NC1CN(C1)C3=NC2=C(C=CC=C2)N3C4=CNC(=CC4=O)C,BUPJSOPRLGZNBQ-UHFFFAOYSA-N
+D960CE200E46EEDA_0A2C65AEE3909F59_6029_UN,N([C@@H](CCC#C)C(=O)O)[S](C1=CN=C(C(C)=C)N=C1)(=O)=O,NHRZSEXSEPIXET-NSHDSACASA-N
+DB1693DAD6C9510D_95C1F718F1EA6DC7_6026_UN,[S](=O)(=O)(C1=CC(=CS1)C2OCCO2)NCCN3CCN(CC3)C4=NC=CC=N4,ORBCPLBDCFHVAQ-UHFFFAOYSA-N
+DBAF53A93E2DA955_282C613BFFFA9662_6038_UN,N(C1=C(C(=CC=C1)F)[S](=O)(=O)N)C(=O)C2=CC3=C(N=C2)COCC3,WVBVELAFFVMFHT-UHFFFAOYSA-N
+DBF8C531168B1D37_CFF4CD87EC0C5ECF_6029_UN,COC(=O)[C@@]2(N[S](C1=C([S](Cl)(=O)=O)SN=C1)(=O)=O)C[C@H](O)C23CCC3,CTNLCJLANHQYNJ-UFBFGSQYSA-N
+DF2D4A5108A07AB4_7C9A849E0B10E1E6_6029_UN,N(CC1=C(C=CC=C1O)O)[S](C3=CC=C(C(O)C2CC2)S3)(=O)=O,JDYRXBKGHMJIOQ-UHFFFAOYSA-N
+E03BD02348A24CFF_D168CB25CF27177E_6029_UN,N(C1(COC1)C(=O)O)[S](C3=CN=C(OCC2=C(OC)C=CC(=C2)F)S3)(=O)=O,SYPOYWZFRQDDOZ-UHFFFAOYSA-N
+E1829C4B2328DE6B_532D39273F1D8DE9_6041_UN,CC(C)CC1=NC(=C(C=C1)C#N)NC2(CC2)C3=C(C=CC=N3)F,RENDBWMIRFNMOG-UHFFFAOYSA-N
+E45ACA109614B3E4_CCB9AA20A8275473_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2CC2)C(C4=CC3=CC=CC(=C3OC4)OC)=O,BSUFHWLLNAVNKN-UHFFFAOYSA-N
+E5B991500B76DAC9_9ED857D1EF4D0423_6029_UN,N(C[C]1(C[C](C1)=[CH2])C(=O)O)[S](C2=C(CCl)SC=C2)(=O)=O,MYNPENHTDUGMBO-UHFFFAOYSA-N
+E6FCC65905B1E6A8_27F5F4697AB6071D_6029_DP,CCOC(=O)C4=C(N[S](C2=C[N](CC1CCNCC1)N=C2)(=O)=O)OC3=C(C=CC(=C3)O)C4C5=CN=CC=C5,MYSIXXQTCXARRW-UHFFFAOYSA-N
+EA799EE3A9F5C99D_055EAB60E1A41D28_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=CN=CC(=C2C#N)F)(=O)=O,FOPGDXZWPIZSNS-UHFFFAOYSA-N
+EBC0F09D5609F2BC_8FD4DDAF97FF6301_6026_UN,FC1=C(C=CC(=C1)C2OCCO2)[S](=O)(=O)N[S](=O)(=O)C3=CC4=C(C=C3)OCO4,NHEFLDZWTTYPBS-UHFFFAOYSA-N
+ECBA3BC0E5630223_66F45C7B903A5093_6041_DP,CN(CC1=NC=C(N=C1)NCCC2=CC=C(S2)[S](=O)(=O)N3CCCCC3)C4[C@@H]5CNC[C@H]45,NKQSCNLQVUXNCL-QIDMFYOTSA-N
+ED974662B8A23ADF_4A6E31BCF5950D90_6029_UN,N([CH]1C[C]2(C1)C[CH](C2)C(=O)O)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)S3)S4)(=O)=O,ZWBANDGEWJCMDQ-UHFFFAOYSA-N
+EF59FB027AD515DB_2466B5961472F57B_6029_DP,O[P](=O)(O)OCCCN(CCCl)[S](C3=CN=C(N2C[C@@H]1CNC[C@@H]1C2)C=N3)(=O)=O,SJGQBIVCEWCMOW-BETUJISGSA-N
+F00F342D164BE8BF_5A7241408ECB5D8F_6026_DP,N4CCCC1=C(C=CC(=C1)[S](=O)(=O)NCC2=CC=C(O2)C3=CC=CC=C3)C4,LMPVSPRPTKUHIF-UHFFFAOYSA-N
+F2534B1B9ABB4745_20BD463454A4FEA3_6034_UN,FC2=C(C=C1C(=CN(C1=C2)CC[N]3C=C(Cl)C(=N3)[N](=O)=O)C4=CCNCC4)F,ZGNZIJQRNPXSCY-UHFFFAOYSA-N
+F4ACD68C869DF144_59DF6562EC163EA0_6028_UN,N([S](=O)(=O)CC1=CC2=C(C=C1)COC2)[S](C3=CC4=C(C=C3)OCCCO4)(=O)=O,YIOHIVQLOHYREG-UHFFFAOYSA-N
+F4C9F96E523D5DCD_EECD275A14E09C05_6031_UN,CC1=NC(=NC(=C1)C(=O)OCC(CN(CCC)C)(C)C)Cl,KVOOWVSLMGVAOH-UHFFFAOYSA-N
+F5B8E70A1FC2914F_D27AB407990E9B3B_6041_UN,O=[N](=O)C2=C1C(=CN=C(C1=CC=C2)NC4CCN(C3=CC=CC(=N3)OCC)CC4)F,POWVHOUWMCQLSE-UHFFFAOYSA-N
+F77B4986CEDB0A0A_3B71EB7FE68964A4_6041_DP,O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NCCCNC3CC3,ZWOYGTVLCOCJFO-UHFFFAOYSA-N
+F81DB74B2F9B15D5_BAEC4449420E3927_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)[S](=O)(=O)NC2(CC2)C3=CC=C(Br)S3)F,JRGZQQADARVILL-UHFFFAOYSA-N
+FA1C897416B7FF0E_D1D27CE555302EB6_6029_UN,N(CC1=C(C=CC(=C1)O)O)[S](C3=CC=C(C(O)C2CC2)S3)(=O)=O,PZNKOGYJQSYJDO-UHFFFAOYSA-N
+FAD5C8F207192EFD_548293FA679806FF_6038_UN,CO[C@@H]1CN(C[C@@H]1NC(C2=CC(=NC3=C2C(=N[N]3C4=CC=CC=C4)C)C5=CC=CS5)=O)C6=NC(=NC=C6)N(C)C,XBIOUIKMWLYSRL-XZOQPEGZSA-N
+FAFC7CACD14B0565_52A3330DCD2F0D21_6026_UN,[S](=O)(=O)(C1=C(SC=C1)C2OCCO2)NCCN3CCN(CC3)C4=NC=CC=N4,YMDWBKMUKSVNEY-UHFFFAOYSA-N
+FB2FB1D7F21B3ADD_692461EDBE54015A_7017_UN,CC1=N[N](C)C2=C1C=C(C=N2)[S](=O)(=O)N4CCC(C3=CC=CC(=C3)N)CC4,GEAXGRMLWTWHEL-UHFFFAOYSA-N
+FB838B5C104CC22F_C6AC74529B938771_6031_UN,CC1=C(SC(=N1)C2=CC(=C(C=C2)F)C)C(=O)OCC3(CN(C)C)COCCN3,JKOALTVHVRGEJM-UHFFFAOYSA-N
+FCB05401072C4AFB_3DF3FEBB5DC44DD5_6026_UN,COC1=C(C=CC=C1)[N]2C=C(C=N2)[S](=O)(=O)NCC3=CC4=C(C=C3)OCCCO4,JOBJAQZEAYDCTR-UHFFFAOYSA-N
+FD88DEBA8A1DDEB3_1485B7044FBACC66_6026_UN,ClC1=C(C2=C(C=C1)OCCO2)[S](=O)(=O)N[S](=O)(=O)C3=CC(=CS3)C4OCCO4,ZYSSSBXGXDNNAJ-UHFFFAOYSA-N
+FEA91F57F44C19DB_5203DEBC3D1C3BF8_6035_UN,O(C1(CNC1)C2=C(N=CC=C2)F)C3=C(C=C(C)C=N3)[N](=O)=O,YMENTWKOHUAPOL-UHFFFAOYSA-N