Added 355 molecules from epoch 15614 for P23975

P23975_molecules.csv

@@ -18692,3 +18692,358 @@ F9EE94BF52FFA70C_516A5F4B5AB6027A_7019_UN,CSCC2(C=CC1=C(O)C=C(C(=C1)F)Br)CCOCC2,
 FB960B3B69316E0A_2271A4409D8074F7_6039_UN,O(C2C1CCOC1C23CCCC3)CCC4N(C)CCCC4,KDIONHFJAFDVPZ-UHFFFAOYSA-N
 FC59DAEAEA9A8AAC_BAC7F50BCA52AA23_6041_UN,CC1=C(C2=C([NH]1)C=CC=C2)NC3CN(C)C4(C3)CCCC4,SOHGXQCTCZJYJM-UHFFFAOYSA-N
 FF44705A856AA176_CADBC189A40784A8_6031_UN,N[C@H](CF)CCC(=O)OCC1CNC2(C1)CCOCC2,RGWYEWJKSHHRIR-KIYNQFGBSA-N
+026EEDFEEB42A7E8_4EC556045D5981D8_6038_UN,CC1=CC(=CS1)CNC(C2=CC(=CC(=C2F)C)[S](=O)(=O)Cl)=O,RLTWKNIYYATXSL-UHFFFAOYSA-N
+02FB4BB9FDEB8023_E54C4649516DE6E0_7022_UN,C1(=C(C(=C(C=C1)Cl)Cl)F)OC(C)(C2CC2)C3CCCCC3,REIULLJMHWKGPA-UHFFFAOYSA-N
+03B83E409A5F502D_9CC7C498F36F2CBE_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)N[C@H]3[C@H]2CCCO[C@H]2C3,PLTRNGQBBFLIES-OIISXLGYSA-N
+03CE8F34599CEC06_B1E14B8A0FE01DBD_7019_UN,C(C2=CC(=C1OCOC1=C2)C3CC3)=CC4=C(C=N[N]4C)Cl,VYPPQEOGEVJUDE-UHFFFAOYSA-N
+04D94BA3398FF419_0E76E99080AD8298_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(C=CC(=C2)C)F)Br,QQRMXQPRCPSDKZ-UHFFFAOYSA-N
+056703057973C2DB_655D8819726CD05C_6029_UN,CC1=C(C=CC(=C1)F)C[S](=O)(=O)N[S](C2=C(Cl)C=CC(=C2)N=[N]#N)(=O)=O,JNUUSZXVMZSALV-UHFFFAOYSA-N
+065485BD52798ECD_88E3BCC0227A9EE9_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(COC)C(=CC=C2)C)Br,SXJBWHFSFQCUTA-UHFFFAOYSA-N
+07406807AD352645_9D8F63B07F9DEF8A_6035_UN,CC(C)C1CCC(CC1)C(OC2=C(C=C(N=C2)Cl)I)C3=CC=N[N]3C,NAMQNUUMXQWMOT-UHFFFAOYSA-N
+07770391B275B707_5A3EF1676A148555_6038_UN,CC1=CSC=C1NC(C2=C(C=CC(=C2C)C)[N](=O)=O)=O,VCPRLHTUWCSELL-UHFFFAOYSA-N
+0920F7EBD70DB26D_714587697A3BA2EC_6026_UN,CC1=NC(=C(Br)[N]1C)[S](=O)(=O)NCC3=C(OC2=CC=C(OCCC)C=C2)N=CC=C3,JQXVFELMHITVOB-UHFFFAOYSA-N
+0973ACB8654FE8FF_39DEE24945380F96_7022_UN,C(=CC1=CC(=CC(=C1)F)F)OC(CC=C)(C2CC2)C3CC3,ZHZQKPPWKIJADX-UHFFFAOYSA-N
+0A196B251C8AA38A_207899DDFDEB0C26_6041_UN,C1(=CC2=C(C=C1)[NH]C=C2)NCC3(CN(C)C)CCCC3,BWIBGIXDMWEAJO-UHFFFAOYSA-N
+0BDC0E11363C2F3F_27BCC1D207C18A7C_7009_UN,N([S](=O)(=O)CC1=CC=CS1)C(CC2=CC=C(NC(C=C(C)C)=O)C=C2)=O,YJPYGWRKKJGFPK-UHFFFAOYSA-N
+0D87AC5B2C7DC26F_8D21B1C2E55E3623_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)N=[N]#N)C)[N](=O)=O,VWQMKZBMGNTUME-UHFFFAOYSA-N
+0DC38DF2B6B5B1AC_2CBFBA76AB486F16_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)N[C@H]3[C@@]4(CCC3)OCCC4,XTTLACBPSWBTHJ-AEFFLSMTSA-N
+0E9BBDAFD1843E9B_7C7238B3219EF4C1_6041_UN,C2(=NC=C1[NH]C=CC1=C2)NC4=C(C=C3OCCOC3=C4)[N](=O)=O,GCFGZSNSWFSQDG-UHFFFAOYSA-N
+0E9BBDAFD1843E9B_E8C37556E9598B0B_6041_UN,C2(=NC=C1[NH]C=CC1=C2)NC4=C(C=C3OCCOC3=C4)[N](=O)=O,GCFGZSNSWFSQDG-UHFFFAOYSA-N
+12110923BFA9AE14_5F3FD9CC8EE64A30_7022_UN,C1(=CC2=C(N=C1)C(=CC=C2)F)NC3CC4(OCC3)CCOCC4,LUXAAKSWVBJBSR-UHFFFAOYSA-N
+12191FEC9DE13760_316E4F838ABA7778_6041_DP,CN(CC1=NC=C(N=C1)NC2CCN(CC2C)C)C3CCNC3,FDNCDQCKGDCQFF-UHFFFAOYSA-N
+16441C92ADB92570_6C41EFEF2D7B9744_6026_UN,COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NCC2=CC=C(CC)S2,IYWUTMUHQAZNRM-UHFFFAOYSA-N
+1682AA94F45373B2_A6E42767DC07C7C7_6041_UN,CN4CCC1=C(C(=NC=N1)NCC2CC3CCC(C2)S3)C4,RBBYLPSBIHHHNC-UHFFFAOYSA-N
+1A20E6D5249E8455_41E6B7E48349E60A_6041_DP,FC2=C(C=C1C=CC=CC1=N2)NCC3CNC(CO3)(C)C,VKCXVQIRNODRTI-UHFFFAOYSA-N
+1A53E8AEE527B6E2_1076F1B5114C60AF_6026_UN,CCN1C(=O)OC2=C1C=CC(=C2)[S](=O)(=O)NN=C3CCC4=C3C=CC=C4,PLDVRJFXTXFPQY-UHFFFAOYSA-N
+1A9F250C0BEA5B10_82687974185201B1_7022_DP,C1(=C(C=CC2=C1OCO2)F)NC3=C([N](N=C3C)C)C4CNC4,YSTKGEATODIHCB-UHFFFAOYSA-N
+1AD2E3FF438E39E0_3B0DA923891200E3_6034_DP,N4CCC1=C(C=C(C(N1CC2OC2C3=CC=CC=C3)=O)C#N)C4,XGJDTAHTCUZWQO-UHFFFAOYSA-N
+1C4B45AA63A9060C_B53AE30490A5C0F9_7022_DP,C1(=C(C2=C(C=C1)C=CC=C2)F)NC4CC3(CNC3)OC4,SMYSNFYPELUPNG-UHFFFAOYSA-N
+1CA4C51DF8CF19CA_186C80C11F05BD47_6038_UN,O(CC1=CC=C(C=C1)N=[N]#N)C(C2=CC=C(CCN[S](C)(=O)=O)S2)=O,PBNJXZRWMODXGQ-UHFFFAOYSA-N
+1D52F280FA9D012D_4D5F3F7DC0A3F8AB_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)N[C@H]3[C@H](SC)CCCC3,MVCXBJRHEQZLMJ-IAGOWNOFSA-N
+1DD412905B8A72F8_0C2B2CE641858F97_6038_DP,N2CCCCC(NC(=O)C(=CC1=CC=C(C=C1)F)C#N)CC2,YEQWBNDGUYHXEG-UHFFFAOYSA-N
+1E01A7245E8A40BE_600E30BF56F8624D_6035_UN,O(C2(CC1CO1)CCC2)C4=C3CNCCC3=C(C=C4)F,FLXYRILNMMFWJY-UHFFFAOYSA-N
+1E0BA4675DBA0A74_BCAA3AC76B7B8D0D_6039_UN,O(CC1CC(=NO1)C2CC2)CCSC3=C(C=C(F)C=C3)F,OAHKKUHTFYSPCU-UHFFFAOYSA-N
+1E0BA4675DBA0A74_F6BFDCD01FB1C052_6039_UN,O(CC1CC(=NO1)C2CC2)CCSC3=C(C=C(F)C=C3)F,OAHKKUHTFYSPCU-UHFFFAOYSA-N
+1E7094E0F008DEF7_38B14BA1AD41D556_7022_UN,C2(=C1OC(OC1=CC=C2)(F)F)OC3CCCCC3SC(C)C,ZBVMWYQZRNBURK-UHFFFAOYSA-N
+1E7D48DD703B6EEE_21CD1B79499553C7_6029_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)ON[S](C2=CC=C(OC)C=C2)(=O)=O)C,ONWZCSCTEMZKLE-UHFFFAOYSA-N
+1EB593BBF462D2C1_A98EB7CF36D0F6E8_6041_UN,FC2=C1C=C[NH]C1=CC=C2NC4CC(C3=NC=C[N]3C)OCC4,FWDNKPRNKAIIOT-UHFFFAOYSA-N
+1EB9D90E50ED0A63_047065819011961C_6041_UN,CC1=C[NH]C2=C1C=CC(=C2)NCC3(N(C)C)CCCCC3,LIJVLWAPAUNSFR-UHFFFAOYSA-N
+212D357D893E5D53_E171724A1034FD3D_6039_UN,O(CC1CC2(CO1)CCOCC2)CCC3OCCCO3,PMMSMAVJDVPHID-UHFFFAOYSA-N
+21960B725029EF85_DB13371AF351B945_6038_UN,N(C1=CC2=C(C=C1)[NH]N=C2)C(=O)C4=CC(=C3OCOC3=C4)[N](=O)=O,BZXRSGZGTLWJLO-UHFFFAOYSA-N
+22BC41DCD92C8573_7010C87DE3DFB245_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NC4CCC3=C(C=CC=C3)CC4,QWCPQVUZFNNYKP-UHFFFAOYSA-N
+23AA452DDB7ACAD9_74C0B5A22225DCF3_6026_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(C(=CN=C2)Cl)Cl)[N](=O)=O,YZVOCCSMCLNGER-UHFFFAOYSA-N
+24FBBA1D3DC5ADED_22C52D8BB99F05FC_7009_UN,N([S](=O)(=O)C1(CC1)C#C)C(CC2=C(CC)OC3=C2C=CC=C3)=O,MTYQRHDWWJQELX-UHFFFAOYSA-N
+25534DEAA85F6DC4_AF87FB953065E5DD_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)N[C@@]34[C@@H](CCC3)OCC4,QROGDOXLRDDEFJ-SJORKVTESA-N
+2560777FD6F24668_EF4CA0D752869F2F_6035_UN,O([C@@H]1CCOC2=C1C=C(C=C2F)F)C3=C(C=C(C=C3)Cl)C4CCCCC4,PBDAMKCLVGXZKR-HXUWFJFHSA-N
+263CBB08872AC10C_2E4715822121FB0B_6041_DP,OC(=O)C1=C(C=CC(=C1)[N](=O)=O)NCC2=C(CNC)C=CC=C2,FGBRWMGHEWDYFU-UHFFFAOYSA-N
+26754D78A5216E4A_53B005306AF0E7E2_6035_UN,O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC(=CC=C3)C4CCOCC4,OUUHETWPYLAKOM-OAQYLSRUSA-N
+2851033D1C139AAC_ED1517E1F893630B_7022_UN,CN1CCC2=C1C=CC(=C2)NC4=C3OCCC3=CC=C4,KQNPYSICOUIRBK-UHFFFAOYSA-N
+295E1BD2BF76CE51_8F4672294EDC14B9_6041_UN,FC2=C(C=C1C=C[NH]C1=C2)NCC3(N(C)C)CCCCC3,RRZSEURCOPHTCV-UHFFFAOYSA-N
+295E1BD2BF76CE51_B9F9A8ABE8FC1EC5_6041_UN,FC2=C(C=C1C=C[NH]C1=C2)NCC3(N(C)C)CCCCC3,RRZSEURCOPHTCV-UHFFFAOYSA-N
+2A2D368E47497ADB_2B162FA4C3EFE0A8_6038_UN,O(C1=C(C=C(C=C1)[N](=O)=O)C#N)C(=O)C2=C[NH]N=C2C3CC3,MPYHRALKKPSOGQ-UHFFFAOYSA-N
+2A4AFCE74B24B489_499F89286C248823_6041_UN,FC2=C(C=C1OC=CC1=C2)NCC3(N(C)C)CCCCC3,SKFXHZTYZZOUNG-UHFFFAOYSA-N
+2B4BDC55336D77E2_2036A6BBF1C619E3_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC34CCNC3CCCC4,VHXAPYMTFGMVSK-UHFFFAOYSA-N
+2B794D816AAB4F85_0247B4FB0815C24C_6035_DP,N2C[C@@H](OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[C@H](CC#N)C2,MHFUZSUKSRRMRG-PHDIDXHHSA-N
+2BA1B71978AA9150_1E9E6E28E4C7B7AF_6039_UN,O(CC1C2CCOCC12)CC4COC3(CCOCC3)O4,LYXPIMPMIYURNF-UHFFFAOYSA-N
+2BCDDB19DD66FA42_298FDA2E033EFEFE_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC34CCCNC3CCC4,WXHUDTJWYIIZQR-UHFFFAOYSA-N
+2CEAA0EB61ACA99A_6E3F362908CB934C_6038_UN,O(C2C1=C(C=CC=C1)OC3=C2C=CC=C3)C(CN[S](CC)(=O)=O)=O,YACOTDZQZDCHON-UHFFFAOYSA-N
+2D57DE9CAA27F8C4_354B36E962D941F6_6041_UN,C1(=CC2=C(C=C1)OCCO2)NCCN3CC[Si](C)(C)CC3,UXNOUHZRJWKHAK-UHFFFAOYSA-N
+2D63D2971C84527A_5C3CB4E1BD16DC7B_7022_UN,C1(=C(C(=CC=C1Cl)Cl)Cl)OC(C)CC2CCCCN2C,AYUFTOYPBYRQIQ-UHFFFAOYSA-N
+2E36CE4CB29D1D79_0A292950A10C7304_6041_UN,C2(=C1OCC(C1=CC=C2)=O)NC3=C(CN(C)C)C=CC=C3,OCMLZMCPIDXNDD-UHFFFAOYSA-N
+2E36CE4CB29D1D79_3C8325A73B6234E4_6041_UN,C2(=C1OCC(C1=CC=C2)=O)NC3=C(CN(C)C)C=CC=C3,OCMLZMCPIDXNDD-UHFFFAOYSA-N
+2ED83C0AD2DC2656_AA53B577A9361F13_6029_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N[S](C2=C(F)C=CC(=C2)N=[N]#N)(=O)=O,SPOVLIIHYVQKRT-UHFFFAOYSA-N
+2F035DECBC46B54C_5C800F2FCA1BB468_6043_UN,OC(=O)CC1=C(C=CC(=C1)F)N[S](=O)(=O)C2(CC2)C#C,NNRHDZDZJRCGNE-UHFFFAOYSA-N
+2F9783351924F70E_C9D75174D5938FB6_6035_UN,O(C1(CCNCCC1)C2=CC=CC=C2)C3=C(C=C(C=C3Br)Br)C#N,WIRJPZHFAXKQOX-UHFFFAOYSA-N
+315AB1D334B9C1C4_038E163A60362C81_7022_UN,C1(=CC2=C(N=C1)C(=CC=C2)F)NC3CCC4(CC3)CCOCC4,RPZGLTDPXBSVRN-UHFFFAOYSA-N
+325B6FE2DFA80B26_91F96BE9C15ABB97_6041_UN,C1(=NC=NC(=C1)C2CCC2)NC3CC4CCC3N(C)C4,GCLBZLYLNUUCDH-UHFFFAOYSA-N
+329A60E64B46BA8F_FF31923A4E726542_7022_UN,C1(=CC2=C(N=C1)C(=CC=C2)F)N[C@@]34[C@@H](CCC3)OCC4,NOCFGFPQPVJZDT-ZBFHGGJFSA-N
+32DEEA981848BCA0_013C3DE5D7080B07_6038_UN,O(C1=CC=C(C=C1)CN=[N]#N)C(C2=CC=C(CCN[S](C)(=O)=O)S2)=O,FABHDFYETRYEPG-UHFFFAOYSA-N
+3410A4557D6ADC1A_B686988A653009E3_6026_UN,CC1=C(C(=CC(=C1)Cl)C)[S](=O)(=O)NN=C2C(N(CC)C3=C2C=CC=C3)=O,ZKZSUCLCFVPPSH-UHFFFAOYSA-N
+34E4B12E6E112C6C_197314AF9CC48AF0_6041_UN,FC1=C(C(=CC=C1)C2CC2)NC3=CC=CC4=C3N(C)CCO4,LGKLLAOEHFSNJI-UHFFFAOYSA-N
+35D0511989D94E65_DE7972CF73B5F8D9_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)N[C@H]4[C@H]3CCCO[C@H]3C4,DCIPAHMMHHHCHX-XYPHTWIQSA-N
+36896EA519898F86_0C4475B967AF5FF7_6041_DP,C1(=CC2=C(C=C1)C=CC=N2)NCC3(CNC3)COCC[Si](C)(C)C,AZQQXYMYKZHSOH-UHFFFAOYSA-N
+3739635C6FC43A68_85174CF9D9B4EF26_6041_UN,FC2=C1CCCC1=CC(=C2)NCC3(N(C)C)CCCCC3,NPTIWIABBUQDLW-UHFFFAOYSA-N
+37B0EC22FA1A1D01_42452EB595E6D1AA_6035_UN,O(C2(CC1CCCCN1)CCCCC2)C3=C(C(=CC=C3Cl)Cl)Br,TYPUIKIYGYYIFS-UHFFFAOYSA-N
+37CBADA496F2E3DB_AAA4EF49E76263E4_7022_UN,C2(=C1OCCCOC1=CC=C2)NC3=CC4=C([N]3C)C=CC(=C4)Cl,WMTCBUUXHXFBDG-UHFFFAOYSA-N
+3858A46763164C03_1601B0CCBB31FD05_7018_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC(C2=CC=C([N](=O)=O)C=C2)=O)C,LSLIAPDJYWLTIL-UHFFFAOYSA-N
+3895B086F90577A2_1B6EE7F816403000_6029_UN,CCN(C1=C(C=CC=C1)C)[S](=O)(=O)N[S](C2=C(SC=C2)C#N)(=O)=O,PEOCPVGWGJHHDS-UHFFFAOYSA-N
+39272BD3950D1651_46E3948816C779B8_6039_UN,O(C1=C(C=CC=C1)CN=[N]#N)CC(C2=CC=C(CCN[S](C)(=O)=O)S2)=O,URZWTSUACLTINN-UHFFFAOYSA-N
+39A365914A05F157_9B0F4F0CD673D334_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NOC2=CC(=C(C=C2)Cl)Cl)C,QJHINICNASWDHP-UHFFFAOYSA-N
+39FB1B26CEE27511_0F903C96C17D2D39_6038_UN,CC1=C(C=C(C(=C1)NC(=O)C2=N[NH]C(=C2)[N](=O)=O)F)F,HORHWSDFHAVVPT-UHFFFAOYSA-N
+3A8BDAC25FA9130C_529C01FDDD2A89FB_7022_UN,C2(=CC1=C(C=C(C=C1)Cl)O2)N[C@H]4[C@H](C3=NC=C[N]3C)OCC4,BCJRHZRJXNFZBY-IUODEOHRSA-N
+3B0C6AC3D73B6732_05E98FD8D1E0B44F_6038_DP,CCNC1=CC=C(C=C1)CNC(=O)C2COC3=C2C=C(C=C3)[N](=O)=O,ZGYYMOVCRVHKMI-UHFFFAOYSA-N
+3E0B0FE73DAF836C_D4D23BAF15EDF8C3_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC34CCNC3CCCCC4,YPFJPNMXNLQOHO-UHFFFAOYSA-N
+3EA62B058057393F_F7A3F0A56C7AF3BD_7022_UN,C1(=C(C2=C(C=C1)C=CC=C2)F)N[C@H]3[C@@]4(CCC3)OCCC4,DOTPKTBQQKRXTA-AEFFLSMTSA-N
+3F7EA211566C60DC_845E0930F7DDCAD8_6039_UN,O(CC1C2OCCOC12)CCC4COC3(CCCC3)O4,OGLCHLPCGXHEHK-UHFFFAOYSA-N
+3FA8ECCAA7685F2C_E153F36725FC5599_6041_UN,FC2=C(C=C1C=CC=NC1=C2)NC3CN(C)C4(C3)CCOCC4,HCGYPJMYMFJLNJ-UHFFFAOYSA-N
+40041EE71EC7A1DB_E50214202B983A1A_7022_UN,C2(=CC1=C(C=C(C=C1)F)O2)NCC3CCCCN(C)C3,FRLYTNJIJCVTDB-UHFFFAOYSA-N
+40A70A0F09F7A7EA_1CCBBAD94BB96746_6041_UN,C1(=C(C=NC(=N1)C2CC2)C#N)NC3=CC(=CC(=C3)F)[N](=O)=O,WDQYPTJCYRWAQY-UHFFFAOYSA-N
+4166B07C0DAFCE89_9E6D2CEE27DFAA47_7022_UN,C1(=CC=C(C=C1)CC2CC2)O[C@@H]3CCCC[C@H]3C4=CC(=C(C(=C4)F)F)F,IIVWEXONGJXCGK-GHTZIAJQSA-N
+4437AE0C107A36E7_65D74950205D60BE_6041_UN,FC1=C(C=CC(=C1)N=C=O)NCC2=CC=C(N(C)[S](=O)(=O)C)C=C2,QBJHLEUDGCJQPU-UHFFFAOYSA-N
+454FCB31896F63D1_356F817E4D075B10_6041_UN,CC1=NC(=C(C=C1)[N](=O)=O)NC3=C2OCCC2=CC=C3,ANXBYPNZELBVFV-UHFFFAOYSA-N
+45A16EFB16587A9E_CB20AC7D2A358B95_6041_UN,C2(=C1C=C[N](C1=CC=C2)CCN3CCCC3)NCC4C[Si](C)(CC4)C,ZJYFOUCRRZDFMA-UHFFFAOYSA-N
+46C3FDC7B17EF4AA_0039FF0D45E18355_6041_UN,FC1=CC2=C(C=C1)[NH]C=C2NCC3(N(C)C)CCOCC3,DVIMBCFKRTYWHG-UHFFFAOYSA-N
+4766801BF10B3D04_AB7175A623BA7CB1_6038_UN,CN[S](=O)(=O)CCOC(CC1=CC=C(CCC)C=C1)=O,DVZVNAIGWITXHQ-UHFFFAOYSA-N
+4ABE650177097EFC_11AC770293D5AD81_6039_UN,O(C(C1CCCC1)C2=CC=CC=C2)CC3=CC(=NO3)C4CC4,YJRXMZPERFGBCT-UHFFFAOYSA-N
+4ABE650177097EFC_5ED44EB9664E2B8E_6039_UN,O(C(C1CCCC1)C2=CC=CC=C2)CC3=CC(=NO3)C4CC4,YJRXMZPERFGBCT-UHFFFAOYSA-N
+4BC317F79EF765C1_C2BED4796196198D_6035_UN,O(C(CBr)C1CCOC1)C2=C(OC)C=CC(=C2)C(C)C,RMLBWJSHEFYBHO-UHFFFAOYSA-N
+4C3B13BF6FCA6C2A_FF80FBFFEF62904C_6041_UN,FC2=C1[NH]C=CC1=CC=C2NCC3(N(C)C)CCCC3,KWZUMGWAOSAYRR-UHFFFAOYSA-N
+4CE4B0200265F872_D01989646B52CF54_6041_DP,[NH]1C(=CC2=C1C=CC=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,UVNWZQSHKXEZRK-UHFFFAOYSA-N
+4D19DB563AA91127_F65523F91F3EF608_6038_UN,CC1=CSC=C1CNC(C2=C(C)C=CC(=C2)[N](=O)=O)=O,DZWBETKDMFODNZ-UHFFFAOYSA-N
+4D827D10E0796141_863B70A5D12C8AE8_7022_UN,C1(=C(C=C(C(=C1)F)F)Cl)OC2(CCC(C)(C)CC2)C#C,LXWUUDKGRZAGDT-UHFFFAOYSA-N
+4E6FBA306BFCD684_1951DB1AAC438829_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)N[C@@]34[C@@H](CCC3)OCC4,NXAVQDAJWDEXRG-WBVHZDCISA-N
+4E7B4C3F969EC734_69D05B865332C542_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)C)[S](=O)(=O)NN(C)C2=NC=CC=C2,KZZYABOFMYHUBW-UHFFFAOYSA-N
+4E7C884B30DEB054_2AFFA31398799A42_6039_UN,O(CC1=C(C(=C(C(=C1F)F)F)F)F)CC(OC)C2CCOC2,VEBMLELBNBBPKJ-UHFFFAOYSA-N
+4F8386C2D29A1372_E8DB070724FC21D7_6029_UN,N(CC1=CC(=NC=C1)OC2=C(C=CC=C2)F)[S](C3=C(ON=C3COC)C)(=O)=O,CIWAAUVFNZGXTF-UHFFFAOYSA-N
+50DE6C4C6981646E_677ED228F02DB90C_7005_UN,[NH]2C1=CC=CC(=C1N=C2C3COC4=C3C=C(C=C4)[N](=O)=O)C#N,HFEZASWBAKCNOS-UHFFFAOYSA-N
+50EA0FF1E8858694_EDD0B1E1DB325D9A_6026_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)NN=C2C(N(CCC)C3=C2C=CC=C3)=O,CGSYYQJPHXFHLS-UHFFFAOYSA-N
+50FD73B4037C76FD_C072447D3AB63B9A_7022_UN,C2(=C1OCCC1=CC=C2)NC3=N[N](C=C3Br)C4CCCCC4,UMRWJUNMFVATPL-UHFFFAOYSA-N
+530AF35E6F7D8C62_D54C1139FDF404ED_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(CCC)C=CC=C2)Br,UGEXDHARKCPVKB-UHFFFAOYSA-N
+543926FAE4828044_428349FB7E322E92_6043_UN,CC1=C(C=C(C(=N1)O)C#N)N[S](=O)(=O)C2=C(C(=CC=C2)F)[N](=O)=O,KQLSGTKSUJTEHL-UHFFFAOYSA-N
+545D2D5EDBA1954A_F988EC77072D7218_6041_UN,C1(=NC=C(O1)C2CCC2)NC3=CC=CC4=C3C=C[N]4C,HQHAMGAAOMHGDD-UHFFFAOYSA-N
+55B56502103FFFA6_7842F208A8FBDA1E_6038_UN,CN1C(=O)OC2=C1C=CC(=C2)NC(C3=C(C=CC(=C3)C)N[S](=O)(=O)C)=O,MRZCPEUBZXPVBU-UHFFFAOYSA-N
+56D5384948E475F3_4ADED9058FBD13F5_7022_UN,C2(=C1OCCCC1=CC=C2)NC3=CC4=C([N]3C)C=C(C=C4)Br,ZGGGVKJIWIMWGU-UHFFFAOYSA-N
+56EA0107F589CF75_014070BAE1360D56_6039_UN,O(C2CCOC1(CCOCC1)C2)CCC3COCCO3,UIAVKBQKPNJXIY-UHFFFAOYSA-N
+57469F6D7E06B895_16FFE0DEC0AD307C_6026_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)NCC2=CC=CC(=N2)N(C)C)Br,QCIUXPGDEGBABL-UHFFFAOYSA-N
+5871D1FA06EF816B_44D8BED3697EC43B_6036_UN,C[C](=[C]=[C]3C(CN1[S](CC2=C(Br)C=CC=C12)(=O)=O)C3(C)C)C,SWLGPPBUUPAYBE-UHFFFAOYSA-N
+58E81EA29CD33F5C_E607C85BD6C94218_7022_DP,C2(=C1OC=CC1=CC=C2F)NC3CC4(NC3)CCOCC4,VIRJRVDBDXUTPR-UHFFFAOYSA-N
+593FDC24E5991D12_ADD4845E2E37E1C5_6041_UN,FC1=CC2=C(C=C1)[NH]C(=C2)NCC3CCCCN(C)C3,TWEWCFJTRAMPIZ-UHFFFAOYSA-N
+5A2EEF8AB69FC619_26D3CD6529526709_6039_UN,O([C@@H]1CCOC2=C1C=C(C=C2F)F)CCN(C)CC=C,JYQYTQMWGNDNMV-CQSZACIVSA-N
+5A35DDF471A268A5_BFA341A243778D71_6038_UN,O(C1=C(C=CC=C1)CN=[N]#N)C(C2=CC=C(CCN[S](C)(=O)=O)S2)=O,SFVCVUCLSZFKTJ-UHFFFAOYSA-N
+5B60C27C8FDE3A60_8C01F50EC91F7C42_6041_UN,FC2=CC(=C1OCCC1=C2)NC3C4=C(N(C)CCC3)C=CC=C4,QLJJQRKRHWOYJI-UHFFFAOYSA-N
+5C05CDA17E74E660_714753CA582F4142_6041_UN,FC1=C(C2=C(C=C1)C=CO2)NCC3(N(C)C)CCCCCC3,QQOSOQQDKKRENO-UHFFFAOYSA-N
+5C586573C2BC9019_438E1E6798F8B52B_6038_DP,N(CC2=NC1=C(C=CC=C1)C(=O)N2)C(C3COC=CN3)=O,UDQDSYIFIKZHKZ-UHFFFAOYSA-N
+5CE0A78A353BF0C6_09E933493FBD295C_7022_UN,C2(=CC1=C(C=CC=C1F)S2)NCC3CCCCN(C)C3,BWWWUDPDTQCYRI-UHFFFAOYSA-N
+5D170779A22FEB16_A1D81A0E06AF6B17_6041_UN,FC2=C1C=CC=NC1=C(C=C2)NC3CN(C)C4(C3)CCOCC4,UHUATESFXAVMSO-UHFFFAOYSA-N
+5E68BB083F9B128D_4BDAD5532A72BD19_6031_UN,O(C(=O)CC2=C1[NH]C3=C(C1=CC=C2)C=CC=C3)CCCC[S](C)(=O)=O,BUJGIYBTOHCANU-UHFFFAOYSA-N
+5E9A0A3B5B560A06_F35D924E985FFE51_7009_UN,N([S](=O)(=O)C1(CCC1)C#C)C(=O)C(=O)CC2=CC(=CC=C2)Cl,CCQWAVHYESNRSX-UHFFFAOYSA-N
+5F5EDA10FC0E17F5_ED539EAFC98D47EA_6041_UN,FC1=C(C2=C(C=C1)C=CO2)NCC3(CN(C)C)CCCC3,GSRUXMUAKYQXHE-UHFFFAOYSA-N
+5FD5A18559D07218_69D202233EF98C42_6029_UN,CC1=CC(=C(C)S1)CN[S](C2=C(C=CC(=C2)OC)F)(=O)=O,XSOMVOLDHDYUDQ-UHFFFAOYSA-N
+6129B5913CF0DF40_12A4BFF3F10B22F2_6039_UN,O(C1CCOC(C1)C2CCOC2)CCCN3CCOCC3,GNTQIONLZOCLSO-UHFFFAOYSA-N
+617C767DC34E144D_41B3B6550F3C67E5_6003_UN,CSC2CCCC(OC1=C(C(=CC=C1)F)C(F)(F)F)C2,OUFNUZPOFYITKV-UHFFFAOYSA-N
+61ACAB9EC2555862_CC68CDD424FCE853_7022_UN,C1(=CC2=C(N=C1)C(=CC=C2)F)N[C@H]4[C@H]3CCCCCC[C@H]3C4,ZYRMJFWOLOSCAP-QANKJYHBSA-N
+62092BE7BC7361AE_20BA0020E8CF2A61_6038_UN,CC1=CSC=C1CNC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O,DJEZSKVXJSEXBK-UHFFFAOYSA-N
+62867FC6851BA015_5A9EB795A9EAAF1B_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=C(C)C=CC4=NON=C34,XKAUEHMDDKHXAE-UHFFFAOYSA-N
+62AFC63A65B34EE5_78EED316DA69DD18_6003_UN,O(CC2=NC1=C(C=CC(=C1)[N](=O)=O)[NH]2)C3=CC=C4C(=C3)OCCNC4=O,NWXBETGJOYZJJY-UHFFFAOYSA-N
+62D9135E185EC1BC_19BCB1698F3E8D24_7022_UN,C1(=C(C=C(C(=C1)Cl)Cl)Cl)OC2(CCC(C)(C)CC2)C#C,IYGOCDIBWMAEPG-UHFFFAOYSA-N
+63B2008AEDCE3870_1BB342E9468BB996_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C3=C(C=C(C=C3)Cl)C4CCCCC4,HBLNJQHRKROYGH-UHFFFAOYSA-N
+65D00D2DB3F04293_79750912DBF9A2B7_7022_UN,C2(=CC1=C(C=CC=C1F)S2)O[C@H]3C[C@@H](CC[C@@H]3C(C)C)C,HECDVPZUFLYUGX-IOASZLSFSA-N
+6664B7661062AC55_FA05E9798CD97A64_7022_UN,C2(=C1OC=CC1=CC=C2F)N[C@H]3[C@@]4(CCC3)OCCC4,MONUEYTXAULLMO-CJNGLKHVSA-N
+693C8AEF5EBE08C9_BC3527DC5391DFDD_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C(=O)CC2=C(C=CC=C2)Br,GJWPCSOQZZFJIN-UHFFFAOYSA-N
+69AE591EFD5F9922_2D4996B4311FAC19_7022_DP,C1(=C(C2=C(C=C1)OCO2)F)NC4CCC3(CCCN3)C4,FWRHQHZDDACEOJ-UHFFFAOYSA-N
+69D5DD383DB4DD52_D75760FABA48BE61_6038_UN,CCN[S](=O)(=O)CCNC(=O)CC1=C(C(=CC=C1)F)F,ZSROCNGWFJUEHK-UHFFFAOYSA-N
+6A85ED74373F6BC6_5AC45F8C38289241_6039_UN,O(CC1(CCOCC1)C2CC2)CCC3CCN(C)CC3,UYIPQTKONVJYAY-UHFFFAOYSA-N
+6ABAAABBA9C335D4_DBB6D98944ECFD07_6003_UN,O(C1CCCC=CCC1)C2=C(C=CC(=C2[Si](C)(C)C)F)C(F)(F)F,MEMHSOBOPLGLKA-UHFFFAOYSA-N
+6B5A3B6912A3AE2E_55BDBB7EC927BCFA_7022_UN,C2(=CC1=C(C(=CC=C1)Cl)S2)NCC3CCCCN(C)C3,CHENMOUSQGUQQE-UHFFFAOYSA-N
+6BD630D6436EBEE9_E3EE501FEE409A5C_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=C(OC2=CC=CC(=C2)OC)N=CC=C3,MZYAKVFBGZRPNR-UHFFFAOYSA-N
+6D72F04156D07C81_1B12275BFCE035DB_6029_UN,CC1=CC(=CC(=C1)C)[S](=O)(=O)N[S](C2=C(Cl)C=CC(=C2)N=[N]#N)(=O)=O,CAVBSPVRFDTKDO-UHFFFAOYSA-N
+6D9EB098C0164DC4_34F3DBBEF5693A80_6029_UN,COC1=C(C=C(C=C1)CN[S](C2=C(C=CC(=N2)C)CBr)(=O)=O)C#N,UAZDYWYOVBLWIJ-UHFFFAOYSA-N
+6DEE1FA95B3FF694_1CD468CFDA69FC31_7019_UN,CC3CC(C)CC(CC=CC1=C(C)C2=C(S1)C=C(C=C2)F)C3,FEJAVRRGVNAJGB-UHFFFAOYSA-N
+6E97019B73ACB717_4DA4493C6A7B4380_6031_UN,O(C(=O)CC2=C1[NH]C3=C(C1=CC=C2)C=CC=C3)CCCCC[S](C)(=O)=O,AJELGVHCFFFBIV-UHFFFAOYSA-N
+6F326534B9B15970_6D94555B9A82DC2E_6039_UN,O(C1CCOC(C1)C2CCOC2)CCCC3CCOC3,UALCCYYKZSJNAR-UHFFFAOYSA-N
+6FE2740EB1801AFB_05F527AA92EAA1B0_6038_UN,CC1=CSC=C1CNC(C2=C(C=CC(=C2)C)[N](=O)=O)=O,ZAHRNMHENYXRSH-UHFFFAOYSA-N
+70037E0617F21CD5_17255C3E729D294B_6035_UN,CC(C)C1CCC(CC1)C(OC2=C(C=CC(=N2)Br)Cl)C3=CC=N[N]3C,GPUXILFVAVVMOW-UHFFFAOYSA-N
+7222031946B44588_1543F40082DA1871_6038_UN,CSCC(NC(=O)CN1C(=O)CCOC2=C1C=CC=C2)CC3=CC=CS3,CAWCSCGTHVHYNG-UHFFFAOYSA-N
+7280D13310BBDD10_82F2579F1E344C32_6041_UN,CC1=C(C2=C(C=C1)NC(=O)N2)NC3=C(CC)C=CC(=C3)[N](=O)=O,QBDWAOHOCGIAIO-UHFFFAOYSA-N
+7327243355B72ECF_2F919515CA6EE9CD_6043_UN,CC1=C(C=CC(=C1)N[S](=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)N=[N]#N,XNMNYEKMRNXDBA-UHFFFAOYSA-N
+7331BE63CFCFA140_92B0305223AB460C_6041_UN,FC2=C(C=C1C=NC=CC1=C2)N[C@H]3CC[C@@H](N(C)C)C3,DDHQVWSXRJSIAZ-UONOGXRCSA-N
+7331BE63CFCFA140_F64D4903380C9F61_6041_UN,FC2=C(C=C1C=NC=CC1=C2)N[C@H]3CC[C@@H](N(C)C)C3,DDHQVWSXRJSIAZ-UONOGXRCSA-N
+740F406108E5A737_E727B609FEB6FAF1_6026_UN,CC1=C(C(=CC(=C1)Cl)C)[S](=O)(=O)N(C)C2=CN=C(C=C2)[N](=O)=O,VPMNZMATOHMRMA-UHFFFAOYSA-N
+752BE7B553A9208F_AE679B57F0DDCE71_6038_DP,CC1=C(C=C(C(=C1)[N](=O)=O)C#N)NC(C2COC=CN2)=O,NAKHVESENLNBMF-UHFFFAOYSA-N
+75C955EF3FB98B22_E36D2711F2C79A9B_7022_UN,C1(=C(C(=C(C=C1)Cl)F)F)OC(C)(C2CC2)C3CCCCC3,KGALNDLVEMJNQX-UHFFFAOYSA-N
+7661DE44DBFBD99E_BAFEBF141E175F55_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=CC=C(C=C3)C4CCCC4,YHPVZLXFOLURCA-UHFFFAOYSA-N
+769DA83897BAE5F9_D735B39B095DEDE6_6038_DP,N3CCC(NC(=O)C(=CC1=CC=C(C=C1)F)C#N)C2(CCC2)C3,HBPOTVNCNSPPJO-UHFFFAOYSA-N
+76A9AE2E213F51D3_B6FFAEE3CAD2B128_6035_UN,CN(C)CC1(CCNCC1)OC3=CC(=C2OCOC2=C3)Cl,SUXUVYMSDGSPOJ-UHFFFAOYSA-N
+77248C3384FCD855_97909B816C6C9533_7022_UN,C2(=CC1=C(C=C(C=C1)F)O2)OC4C3CCOC3C45CCCCC5,NIRCWVKFXDFDDI-UHFFFAOYSA-N
+77D3B7DFED0A43AC_17CFD9B50FF95EE2_6031_UN,O(C(=O)C1=C(C2=C([NH]1)C=CC(=C2)F)Cl)CCCC[S](C)(=O)=O,GFNSZZRTPNRMGQ-UHFFFAOYSA-N
+7C5336848411F9C8_172EBF1C2135ACEF_6041_UN,FC2=C(C=C1NC(NC1=C2)=O)NC3=CC(=C(C=C3)[N](=O)=O)C,DBKPZRCOFPYQJW-UHFFFAOYSA-N
+7C5336848411F9C8_B873782522D0B0A3_6041_UN,FC2=C(C=C1NC(NC1=C2)=O)NC3=CC(=C(C=C3)[N](=O)=O)C,DBKPZRCOFPYQJW-UHFFFAOYSA-N
+7C9BF00F7040A0AF_41EB24108F7A7AEB_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(SC)C=C(C=C2)F)C,VJOSHZUDBKTWCU-UHFFFAOYSA-N
+7DA02446D038AED6_52D0E6A21719CA7E_6003_DP,N4CC1=C(C=C(C=C1)OC3=CC2=C(NC(O2)=O)C=C3[N](=O)=O)C4,VUJAIIVFKPCXGY-UHFFFAOYSA-N
+7DAF567C724AB831_2B9519E0C6D4A1CF_6031_UN,C[C@@H](CC(=C)C)C(=O)OCC1COCCC1(OC)OC,XXSOCKZVBQMFFP-UEWDXFNNSA-N
+7F31B1DB2597CE29_02102BAA1E0F93AD_6041_UN,OB1OCC2=C1C=CC(=C2)NC4=CC3=C(CCCN(C)C3)C=C4,MPSSABOUKYLQDE-UHFFFAOYSA-N
+7F4AEBC79A5DDE16_083638A888F6793D_6003_UN,O(C2CCC1CCCCC1C2)C3=C(C=CC(=C3[Si](C)(C)C)F)C(F)(F)F,XIPFSCFXHTWIFX-UHFFFAOYSA-N
+807B44972BE5E733_444FA85AD6DA5E4A_6035_UN,O(C1(CCNCCC1)C2=CC=CC=C2)C3=C(C=C(C=C3Cl)F)C#N,FZYMNXHULVOTLN-UHFFFAOYSA-N
+80DCFE6B632EDEB7_FCBD0FA9830B5000_6039_UN,O(C1CCOC(C1)C2CCOC2)CCN3CC(OC(C)C3)C,ZHDPHHDGZJMVFU-UHFFFAOYSA-N
+845E9E44A688F10F_B71AD7BD283F4089_7022_UN,C1(=CN=C(C=C1)[N](=O)=O)NC3C2=CC=CC(=C2OCC3)OC,HIDWCVIWNHQQNH-UHFFFAOYSA-N
+8472B7797B263CF5_1E0FCB79E95112CE_6041_UN,OC(=O)C1=CC(=C([NH]1)[N](=O)=O)NCC2=CC=C(C=C2)C#C,WBKFPRCYNAUUPF-UHFFFAOYSA-N
+853CF847C6BDCB66_8D14A4C60DA208BE_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)NC3CCOCC34CCCCC4,WFBPIAOCYRZDMW-UHFFFAOYSA-N
+856CDB864DB451DF_55E91E310088389D_7019_UN,CN1CCC(CC1)CC=CC2=C(F)C=CC3=C2C=C[NH]3,WPVJLTOYRSXYAB-UHFFFAOYSA-N
+85D26C4C377F3DEC_FBC26B82A0F57F68_6041_UN,FC1=C(C2=C(C=C1)OCO2)NCC3(CN(C)C)CCCC3,LAQZXCSYEFQOSF-UHFFFAOYSA-N
+86C9620FE7EEF976_854457425E474E47_6026_UN,CC1=C(C(=C(C=C1)C)[S](=O)(=O)NN(C)C2=NC=CC=C2)[N](=O)=O,LOXCNIDJVGJDGW-UHFFFAOYSA-N
+88370F77B1C6D725_159E891C9AF5866D_6041_UN,C[N]1C=NC(=C1OC2=CC=C(C=C2)NC3=C(C)C=CC(=C3)[S](=O)(=O)C)[N](=O)=O,ITPOOQILHZOZIO-UHFFFAOYSA-N
+888D208E0630B50C_CCCEAFDB80743705_6041_UN,FC2=CC(=C1OCCC1=C2)NC3=CC=CC4=C3CCN(C)C4,GFMJGCCGUSHRKQ-UHFFFAOYSA-N
+889ACDACC612F863_707BAF3370A6EA4D_6031_UN,O(C(=O)C2=CC=C(CC1CC1)S2)CC(CC)CC(F)(F)F,RGVNKRUKGCSHAV-UHFFFAOYSA-N
+8A08EC93C91022AC_4F143128930D537F_7022_DP,C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CCCOC34CCNCC4,NUSQKZJPNHHASY-UHFFFAOYSA-N
+8A34E952B3B808B7_AAF5A54F6171CB26_6027_UN,COCCOC1=NC=CC(=C1)N[S](=O)(=O)C2=C(C=CC(=C2)N=[N]#N)Cl,NVUZBDZUIYEBPF-UHFFFAOYSA-N
+8B192DA8BAA7C06D_58FF592113D36576_6029_UN,CC1=CC(=C(C)O1)CN[S](C2=CC=C(C=C2)CN=C=S)(=O)=O,VKIKZUCFTZDSNX-UHFFFAOYSA-N
+8E5A760D6F7E2636_5F8C9FE4DCFA9333_6041_UN,CN4CCC1=C(C=CC=C1N[C@@H]3C2=CC=CC(=C2OCC3)C)C4,JBSLPYODJFPLAH-IBGZPJMESA-N
+8FC18CB91C14C0EC_896FBCC0E13C2889_6038_DP,O(C2=C1C=CC=CC1=C(C=C2)[N](=O)=O)C(C3=CC(=N[NH]3)C4CNC4)=O,BDHOQZUTMSOEHA-UHFFFAOYSA-N
+90A3724A8F4D1D0F_791BAC61DB090827_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC4CCC3=C(C=CC=C3)CC4,VIPJTUXCTNTUPK-UHFFFAOYSA-N
+90B0281318B90346_26ED837F438092D1_6027_UN,CCCN2C(=O)C(=NN[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)Cl)C3=C2C=CC=C3,XRJVSVKVGMOMPX-UHFFFAOYSA-N
+90BD26ED7BDD2EB3_9FAB10CB03F86B33_6034_UN,NC2=NC1=C(C=C(C(=C1F)F)F)N2CC4(CCOC)CC3OC3C4,CSVUIKNXAQLYCJ-UHFFFAOYSA-N
+90ED3369BD9E233B_641AD4F1376FB107_6039_UN,CC1=C(C(=CC=C1)C)OCC(NCC2=C([N](=O)=O)C=CC=C2)=O,XFYUEMHWVAIBJY-UHFFFAOYSA-N
+910738295ECA7F78_12BACDEBD52547BE_6031_UN,O(C(=O)CC1=C2C(=CC=N1)C=CC=C2)CCCCC[S](C)(=O)=O,SYIZGIQQQPJWJH-UHFFFAOYSA-N
+91A293487B68DA3F_83B9A18B804FF9EB_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NCC3(N(C)C)CCCCCC3,FSQFALNVTDKFHW-UHFFFAOYSA-N
+91D6C73FC287C336_4980545946F524A8_6041_UN,FC2=C1[NH]C=CC1=CC=C2NCC3CCN(C(CC)C)CC3,KEJYRGFZEZFYGO-UHFFFAOYSA-N
+929011155869E320_4C2E4B9B033A9CB8_6041_UN,CN4CCC1=C(C=CC=C1NC2=CC3=C(C=C2)OCO3)C4,CFMHVQWVZOKCHA-UHFFFAOYSA-N
+93BC0BDE91CBC148_B852C7989C699655_6041_UN,C1(=NC=C([NH]1)C2CCCC2)NC3=CC=CC4=C3C=C[N]4C,DCJXKLBCVIYLDE-UHFFFAOYSA-N
+943DA57E67AB9395_6F66CA866501C464_7005_UN,[NH]2C1=CC=C(C=C1N=C2C3CN(C)C4=C(C3)C=CC=C4)[N](=O)=O,JPPJXKZGNRYJMW-UHFFFAOYSA-N
+948632F059B8D1AE_E2ABAE6334F452DC_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(C=CC(=C2)Br)Cl)Br,UAZNIDWKDCRBQN-UHFFFAOYSA-N
+94FF701BA390CC1B_02170BF306113072_6038_UN,N(C1=C[NH]N=C1C2CC2)C(=O)C4=CC(=C3OCOC3=C4)[N](=O)=O,XAMZCXZLRYCJBL-UHFFFAOYSA-N
+95390551D54EB3B8_6D5EA897F10D4BF7_6041_DP,FC1=C(C=CC=C1)C2=CSC(=N2)NCC3(CCCNC3)C,PPCWWDHPDFOVIF-UHFFFAOYSA-N
+958CB60055C744B5_C86412B3493D7BC5_7022_UN,C2(=CC1=C(C(=CC=C1)F)O2)NC3CN(C)C4(C3)CCOCC4,ODDCTUAFRIQBTG-UHFFFAOYSA-N
+95FB373264ED4345_5993E0CC2682B48A_6041_UN,C2(=CC1=C(N=CC=C1)[NH]2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,VPGHBVIOSUXMNB-UHFFFAOYSA-N
+96D6E7A66C553C17_DFD3B650C129BF2F_6035_UN,CC(C)(OC1=C(CC)C=C(C=C1CC)[P](=O)(O)O)C2=CC=C(Cl)S2,PSGAYVWOEMFDFM-UHFFFAOYSA-N
+973D9FC8AEC91A0E_AC5FDD34528C393B_6041_UN,C1(=C[NH]C2=C1C=CN=C2)NC4=C(C=C3OCCOC3=C4)[N](=O)=O,MHLFEFWGBZLZFM-UHFFFAOYSA-N
+973D9FC8AEC91A0E_B76467B2222282C1_6041_UN,C1(=C[NH]C2=C1C=CN=C2)NC4=C(C=C3OCCOC3=C4)[N](=O)=O,MHLFEFWGBZLZFM-UHFFFAOYSA-N
+999950393528E123_B79C014AAD357085_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=CC=C(SCCCOC)C=C2,VAVCDKCCQXMJJK-UHFFFAOYSA-N
+999B91D0D1C92647_7F8CEBB4BFBF26FA_7022_UN,C2(=C1OCCCOC1=CC=C2)NC3=NC(=NC(=N3)Cl)C4CCCCC4,KQUQAGXMMITXAW-UHFFFAOYSA-N
+9A034F5455FC7DE1_B8AE01C48CD1D9B0_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NCC3(N(C)C)CCOCC3,QLEUAXQQMMJMFL-UHFFFAOYSA-N
+9AF044648898FD66_367F2D30689A1E9A_7022_UN,C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CCOC34CCOC4,UDDIHSOQFGXOLC-UHFFFAOYSA-N
+9BEFC05B15979BF3_89BD916B060A1139_6041_UN,FC2=C1C=C[NH]C1=CC=C2NCC3(N(C)C)CCCC3,BUHWUOQRUKTWIO-UHFFFAOYSA-N
+9BFD14F3D91C11F2_6755338C36DC4C60_7022_UN,C2(=CC1=C(C=CC=C1F)S2)OC3C(CCC(C(C)C)C3)C,GBCPOVLCUFSPKA-UHFFFAOYSA-N
+9D12B43CCB887D0F_E76C5C908887EBEF_6035_UN,O(CC1=C(OC=N1)C2CNC2)C3=C(N)C=C(C=C3)[N](=O)=O,FPEAYCCHDMWEGJ-UHFFFAOYSA-N
+9D45A1B56BDDB9AD_1393286F662C8F72_6031_UN,O(C(=O)C1=C(C(NC(=C1)C2CC2)=S)C#N)CC3=CCNCC3,VSRIYMNPPATFNI-UHFFFAOYSA-N
+9E2D5D7EEC745101_1CA72DAEBD0FBCA1_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NCC3(N(C)C)CCCCC3,VZGLKOHJMIBRSH-UHFFFAOYSA-N
+9E79340DC6847AE3_9466C08A33BACDBB_6034_UN,CCC(N)C2=NC1=C(C=CC(=C1)Cl)N2CC4(COC)CC3OC3C4,PQHIOFAFTKIKLS-UHFFFAOYSA-N
+9F12A25D8F2F6D9C_88A73A648D2FDAE6_6038_UN,CC1=C[NH]C(=N1)CNC(=O)CC2=C(C=CC(=C2)[N](=O)=O)F,KICNPQMHRMALIU-UHFFFAOYSA-N
+9F5F57FBF541EDF9_99E28D131E916FC7_6038_UN,CCN[S](=O)(=O)CCNC(CC1=CC=C(OCC)C=C1)=O,CWWIQPGCMWZKHP-UHFFFAOYSA-N
+9FFC55FC23AB1062_0901F22C66A34176_6043_UN,OC1=C(C=CN=C1N[S](C2=C(C=CC(=C2)C)[N](=O)=O)(=O)=O)C#N,KFRGEBPULGMUMD-UHFFFAOYSA-N
+A0BCBEAECBFE2661_3F4F3BA5F31706AA_6041_UN,C[N]1C(=CC2=C1C=CN=C2)NCC4CC3(CCN3C)C4,UTHNGGWYMPUEQU-UHFFFAOYSA-N
+A16354F7168C0258_D871FCCF98FA02BF_6038_UN,N(CCCCOC1=CC=CC=C1)C(=O)C[N]2C=CC3=C2C=CC=C3[N](=O)=O,PFHRLUCZOVPHAF-UHFFFAOYSA-N
+A187D1CFDBFD0224_E758449402BC9219_6041_DP,FC2=C1C=CC=C(C1=CC=C2)NCC3(OCCNC3)C,SUPBAEIPKPONQX-UHFFFAOYSA-N
+A3092D0DF2C3DC42_7780C62958467C2F_7009_UN,N([S](=O)(=O)CCC1=CC=CS1)C(CC2=CC=C(NC(NCCC)=O)C=C2)=O,KFBZQDJYKYLKQN-UHFFFAOYSA-N
+A384D7DBDE3DCD67_2B23801E452F762C_6038_UN,COC1=C(C=CC(=C1)NC(CCCC#CC)=O)N[S](=O)(=O)C,GEBAYENODOSGMU-UHFFFAOYSA-N
+A4E960F2AA20B763_7D003A85BDADAF0B_6041_UN,FC2=C1C=NC=CC1=C(C=C2)NC3CN(C)C4(C3)CCCC4,IRJXHRVPXAKFII-UHFFFAOYSA-N
+A59E5B897B8B9755_ACB38DFFE10EB27D_7022_UN,C1(=CC2=C(N=C1)C(=CC=C2)F)NC3CCOCC34CCC4,YTSDQVTWLLWVDF-UHFFFAOYSA-N
+A5BA72E16DBB5428_4C0D654B7670BEB0_6003_UN,O(C2CCC1CCCC1C2)C3=C(C=CC(=C3[Si](C)(C)C)F)C(F)(F)F,OPXYEFIMGRHLEC-UHFFFAOYSA-N
+A5E5D10F99AD166F_B31BA8E112536AFF_7022_UN,C2(=C1OC=CC1=CC=C2)NC4=CC3=C(CCN3C)C=C4,YEAXTQZDBVWQLG-UHFFFAOYSA-N
+A6D2E415E74274A5_DBF73EC6CE93E0D9_6041_DP,C1(=NC=NC(=C1)C2=CC=CS2)NCC3(CNC3)COCC[Si](C)(C)C,VZODTVLZFBXLKT-UHFFFAOYSA-N
+A90C2B96AB8B261E_07D2E141777ED00D_7022_UN,C2(=C1CCOC1=CC=C2)NCC3(CN(C)C)CCCC3,OTOJVNZYKQDRAK-UHFFFAOYSA-N
+A91FE0CA0CB929D1_F49A30259D4F2798_6041_UN,FC1=CC2=C(C=C1)[NH]C=C2NCC4CC3(CCN3C)C4,PTFRDLLZDCZFIC-UHFFFAOYSA-N
+AA86C6C3AB754959_394B9353F6711B2E_6039_UN,O(CC2(CC1CO1)CCOCC2)CCOC3CCCCO3,VKDWTGXCOCLPOI-UHFFFAOYSA-N
+AAECAA423E133B6E_5C3EBDCB19A00F61_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=CC=CC(=C2COC)Br)C,HPFOEIZSDJCPOD-UHFFFAOYSA-N
+ACD37EEBF6A41B8C_7C1DE339875429AB_6038_UN,CC1=[N](C=C(C=C1)OC(C2=CC=C(CN[S](CC)(=O)=O)C=C2)=O)=O,WUOWYYFRSVUZAW-UHFFFAOYSA-N
+ACDF755B1C44FB7C_2505201E9887D4ED_7009_UN,N([S](=O)(=O)CC=C)C(C1=C(NC(C=C(C)C)=O)SC=C1C2=CC=CC=C2)=O,SBCQDNCQLXBZBM-UHFFFAOYSA-N
+AEA86663E16D444B_FA466E747D32C72F_7022_UN,C2(=C1OCCCC1=CC=C2)OC3=CC=CC(=C3)N(C)C,NOGKRGBVLOIQKE-UHFFFAOYSA-N
+B01D4FDEF4323F04_7C2C4E7FCE2D1B97_6041_UN,FC2=C(C=C1C=COC1=C2)NCC3(CN(C)CCC3)C,LRMXROUXPUFTAQ-UHFFFAOYSA-N
+B0AFAFF2ED526C56_8BF67E9C00902D5E_7005_UN,[NH]2C1=CC=C(C=C1N=C2C3COC4=C3C=C(C=C4)[N](=O)=O)C#N,SCUAQAFOMASDFA-UHFFFAOYSA-N
+B1F356EA30DD2B13_4130703F6F5CF79A_7022_UN,C2(=CC1=C(C=C(C=C1)F)O2)N[C@H]4[C@H](C3=NC=C[N]3C)OCC4,VBWSGMKQHKJRCT-IUODEOHRSA-N
+B30BBFCC00D35DA1_3A9FD2C554C42C88_6039_UN,CC1=C[NH]C2=C1C=CC(=C2)OCC(NCC3=C([N](=O)=O)C=CC=C3)=O,VZYDOCCMWQNSRN-UHFFFAOYSA-N
+B45F5C6080E561BD_BAB12E5791818C28_6035_UN,O(CC1=CC(=NO1)C2CNC2)C3=C(C=CC=C3)[N](=O)=O,ZDLPJBGQEXMLHD-UHFFFAOYSA-N
+B465E97C93E7C0FD_0C40D8B3BFDEB8AC_6041_UN,FC2=C1[NH]C=CC1=CC=C2NCC3(N(C)C)CCCCC3,LQACFLJBBQXIEA-UHFFFAOYSA-N
+B5569D8D2F73593A_5A7D859FF60ABCF7_6041_UN,FC1=CC4=C(C(=C1)NC2CN(C)C3(C2)CCOCC3)[NH]C=C4,HFZMABNDUBEMNF-UHFFFAOYSA-N
+B69592C823EFBA5B_B1C9DBCDEBA2E2AD_7022_UN,C2(=C1C=CC=CC1=C(C=C2)Cl)NC4[C@H]3CCCO[C@H]3C4,DCIPAHMMHHHCHX-SCMQIHGUSA-N
+B69980F6ABF66A07_3609792645D80AD2_6038_UN,CSC1=C(C=C(C=C1)NC(C2=CC=CC(=C2C)[S](=O)(=O)N)=O)C#N,CMSUOSRBQMEBIN-UHFFFAOYSA-N
+B73C147451D4111F_1901BB14CB51BC65_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3CCOCC3,LNRORWMEIDFYGT-UHFFFAOYSA-N
+B73C147451D4111F_3A973309E2C48AB1_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3CCOCC3,LNRORWMEIDFYGT-UHFFFAOYSA-N
+B73C147451D4111F_8E3CD5D95B508A00_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3CCOCC3,LNRORWMEIDFYGT-UHFFFAOYSA-N
+B7A6CA8923597B6F_4098F3F073ED0D4E_6041_UN,FC2=CC(=C1OCCC1=C2)N[C@H]4[C@H](C3=NC=C[N]3C)OCCC4,ICBKFOKSHONWEV-CZUORRHYSA-N
+B8439F7EC5BE5FD3_903ED923E725A708_6035_UN,O(CC1C2CCC#CCCC12)C3=CC(=CC(=C3Br)Cl)C,LZIGCARDCBQGCT-UHFFFAOYSA-N
+B8E29AB3EA79FE2F_097F73AB7865251E_6041_UN,C1(=CC2=C(C=C1)COCC2)NCC3(CN(C)C)CCC3,AHNYPZMRRQTCRB-UHFFFAOYSA-N
+B9CBD955A3B0F111_539D223141521F48_6039_UN,O(C1CCOC(C1)C2CCOC2)CCN3CCOCCC3,DLCLBCWMWKEHFZ-UHFFFAOYSA-N
+B9EEC35B5B666687_B58B68739438D6B1_6041_DP,C[N]1C(=NC2=C1C=C(C=C2)F)NC34CCNC3CCCCC4,LPPGVZPVUZKTCG-UHFFFAOYSA-N
+BB8C5E3DB42E14C5_957C3D75085DA856_6029_UN,CC1=C(C=C(C(=C1)C)[N](=O)=O)N[S](C2=CC(=CC=C2)N=C=O)(=O)=O,FTFBDXODICZKFZ-UHFFFAOYSA-N
+BBFAA73B14A92464_D603ADC71E44FBA7_6041_DP,C1(=CC=C(C=C1)C2=CN=CS2)NCC3(CNC3)COCC[Si](C)(C)C,NPOSFWANXFTPJA-UHFFFAOYSA-N
+BC0A7FE0AFCD8DE4_3418CFDFC1B2654F_6035_UN,CC(C)C1CCC(CC1)C(OC2=C(C(=CN=C2)Cl)Br)C3=CC=N[N]3C,FQXXYVFYCMBZQW-UHFFFAOYSA-N
+BD7189A33D68E8B7_F6AE65E299EE447B_7022_UN,C2(=CC1=C(C=C(C=C1)Cl)O2)NCC3CCCCN(C)C3,ZLFSSBQLQNATRU-UHFFFAOYSA-N
+BFA9396B07CDD6D8_02BE3CB4C6C80859_6039_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)CC(NCC2=CC=C(N(C)C)C=C2)=O,XGDJAGYIVWNYFG-UHFFFAOYSA-N
+C0B1585C58945E49_AB3F54AACBDF2F8E_6041_UN,C[N]1C(=NC2=C1C=CC=C2F)N[CH]3CC[Si]4(CC3)CC[CH2]CC4,VJJGMPALAWXNPZ-UHFFFAOYSA-N
+C0D265B54B86A2E7_69DE3E0B234C1235_6041_DP,N3CC1=C(C=C(C=C1)NCC2(CN(C)C)CCCC2)C3,ZOYUQLKOPNOXAO-UHFFFAOYSA-N
+C2AA1C00C379CFB2_5233E0B9534A9044_6041_DP,C[N]1C(=NC2=C1C=CC=C2F)NC3CCCCC34CCCNC4,MGFVHZFMSUESEX-UHFFFAOYSA-N
+C33CD7981BAE7182_13EEA65BD262A884_6041_UN,C2(=C1OCCC(C1=CC=C2)=O)NCC3=CC=C(C[S](C)=O)C=C3,JMDVNXKNTCQYHA-UHFFFAOYSA-N
+C34C5E65AE674614_843CEA43DE1AEB52_7022_UN,C2(=CC1=C(C=C(C=C1)Cl)O2)OC4C3CCOC3C45CCCCC5,VMFOVBSXVCEKIE-UHFFFAOYSA-N
+C4EC2360A50ED0A8_0DA8877633B582F8_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)N[C@@]34CCN[C@@H]3CCC4,VZCWUYPGBUSEHN-WBVHZDCISA-N
+C506C7E5F7E8DA26_8EF3E22CD50C605A_6041_UN,C1(=N[NH]C2=C1C=CC=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,QUEYDOKFXNDWJC-UHFFFAOYSA-N
+C506C7E5F7E8DA26_9FD22AF51D6D2B84_6041_UN,C1(=N[NH]C2=C1C=CC=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,QUEYDOKFXNDWJC-UHFFFAOYSA-N
+C5A93F54F713A664_3E969CD3AAE10765_6041_UN,C1(=C([NH]N=C1)C2CCC2)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,JKZRSTMEGKIIDD-HKUYNNGSSA-N
+C723C658EE9D05A4_04F76BA5E8BE283E_6041_UN,FC2=C(C=C1OC=CC1=C2)NC3CCCC(N(C)C)C3,ZFHGGKSRTYHBHG-UHFFFAOYSA-N
+C76E9D8EEB7BD653_DBE1E9E16DF81A3C_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=C(C=CC=C3)C4CCC4,JMYQBHBMGQGCMN-UHFFFAOYSA-N
+C7EFA6B4DF236E9A_C9A066E9B0D23A8E_6043_UN,CC1=C(C(=CC(=C1)N[S](=O)(=O)C2=CN=C(C=C2)O)[N](=O)=O)C#N,AUFCRSJHEWRYFU-UHFFFAOYSA-N
+C80BEC59265810FE_44C1CC0EE9707BC2_6026_UN,COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NC2=C(N(C)C)N=C(C=C2)C,ANUGPBDXQCQOBV-UHFFFAOYSA-N
+C9B60E668D02648C_4FC5C1A03AB6771D_6041_UN,C[N]1N=C(C=C1N[C@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F)C5CCCC5,CYTMMEIANLURSD-LJQANCHMSA-N
+CB63D3AC69B03D6C_5558E42FDF5B9BFB_7019_DP,N3CCCC(CC=CC2=C(N=C(NC1=CC(=C(C)C=C1)Cl)S2)Cl)CC3,GQSPLURTGOTZRQ-UHFFFAOYSA-N
+CC84BFC29743CA58_C53257EF0C979275_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)N[C@H]3CO[C@H]4CNC[C@@H]34,AVWYSJXDAJLFOS-QEJZJMRPSA-N
+CCCC05CA444F5AAA_EF880ACE286C1ACA_6035_UN,O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C4=NC3=C(C=CC=C3)[N]4C5CC5,PZOCIIJYWTWRCN-MGPUTAFESA-N
+CD2863A68FCE959D_446FEAFF01B3CBC5_6038_UN,CC1=CC(=C(C=C1)SC(C2=CC(=CC(=N2)C)[N](=O)=O)=O)C#N,AHVPYINLEYAHEY-UHFFFAOYSA-N
+CE0E3961E1934EC0_98F00461E1207F36_7022_UN,C(=CC1=CC(=CC(=C1)F)F)NCC2=NN=C([N]2C)C3CCC3,BGMBZZUHRNYSAI-UHFFFAOYSA-N
+CE8652E6DB22DB04_12EE60FB06007CD5_6035_DP,N3CC(OC1=C(C=C(C=C1)Cl)C2CC2)(C3)C4=C(C=CC=C4)F,MLJPWFSXQJSBOF-UHFFFAOYSA-N
+CEC39A9B8DC60569_DBE49BD5A0E1C291_6038_UN,CC4=C(NC(C2=CC1=CC=C(C(=C1[NH]2)C)[N](=O)=O)=O)C3=C(C=CC=C3)[S]4(=O)=O,BDIQPYXXQVGOAW-UHFFFAOYSA-N
+D06DD6A018D040D4_B2A1DE8C36BF8E0A_7022_UN,C2(=CC1=C(C(=CC=C1)F)S2)NCC3CCCCN(C)C3,GWKAOPLNCDWXIW-UHFFFAOYSA-N
+D10FF5125E706CA5_EFC0054B99FB2ACC_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NN=C2C(=O)N(CC=C)C3=C2C=CC=C3)Cl,DWDWGXMTAXOAQH-UHFFFAOYSA-N
+D1A80A6851DCB6EE_491FEFFAF3167B14_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=CC=C(C=C3)C4CCC4,RNCJKEDKHSAEHY-UHFFFAOYSA-N
+D1D09E464676B6BB_D9C98D30112BEEA9_7022_UN,C2(=C1OCCC1=CC=C2)NC3=CC4=C([N]3C)C=CC(=C4)Cl,MIRDMYAKAMWCIW-UHFFFAOYSA-N
+D2A0238A00144EC8_4ADCE303E3523C7C_6029_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N[S](C2=C(SC=C2)C(=O)N=C=S)(=O)=O,YBRSLLRRZIVGSE-UHFFFAOYSA-N
+D2AF6A53FA75F483_F185CA459DD9BAD8_6041_UN,C1(=C[NH]N=C1C#N)NC3=C(C=C2CCOC2=C3)[N](=O)=O,UQQYMZWFXCLCDI-UHFFFAOYSA-N
+D386529419EDEF33_85C6F1043DF4E2A3_6031_UN,O(C(=O)C1=C(C2=C([NH]1)C=CC(=C2)Br)Cl)CCCC[S](C)(=O)=O,BJRMEYLORDVQLW-UHFFFAOYSA-N
+D478A26DDAC12023_7A384FB55B05F049_6026_UN,CCC1=NOC(=C1[S](=O)(=O)NCC2=CC=CC(=C2)CN(C)C)Cl,IMQLERZFOAOIAT-UHFFFAOYSA-N
+D489C3BBDF7D89CA_5EEF669C77EBCEE6_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NCC2=CN=C(N(C)C)C=C2)C,WMXBAXYEHRRQFV-UHFFFAOYSA-N
+D49CA730ECEB4F4A_087D0B5B8F2F34E6_7022_UN,C1(=C(C(=C(C=C1)F)F)F)OC(C)(C2CC2)C3CCCCC3,QACNCFCRADSAKA-UHFFFAOYSA-N
+D579DAB8BF71CF22_4D02E9D8B33218FF_6041_UN,C2(=C1CCCCC1=CC=C2)NC3=C(C=C(C=C3)F)C4CC4,LFSBSGOQYDSCOO-UHFFFAOYSA-N
+D5ED29C405D630F2_A81FB81A493B0311_6039_UN,O(C(C1CCCC1)C2=CC=CC=C2)CC3=NC(=NO3)C4CCC4,PGVPJKPQBMEEFQ-UHFFFAOYSA-N
+D60405BFE6DF9BA9_6E26A9D757975C52_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC4CC3(CNC3)OC4,WBUCXBWPPSJXLW-UHFFFAOYSA-N
+D66D13977C9B12A2_C6D0FCC95B2A79C4_6003_UN,O(C(C1CC1)C2CC2)C3=C(C=CC(=C3[Si](C)(C)C)F)C(F)(F)F,GJQVWMTYPLUTHY-UHFFFAOYSA-N
+D790BCB6BC5753E8_3CBB4ACE0C9CECBF_6041_UN,C[N]1N=C(N=C1NC2CC3=C(OC2)C=CC(=C3)F)C4CCC4,IMSQWKUNUUZFNX-UHFFFAOYSA-N
+D7AA6585D0996C6E_1FF4791E78863709_7022_DP,C2(=C(C=C1C=CC=CC1=C2)Br)NC3CCCOC34CCNCC4,VWFXIUSPUQRCFY-UHFFFAOYSA-N
+D8A474E23D10DEE2_9DF0B586EF803BFD_6031_UN,NCCNCCC(=O)OCC1OC2=C(NC1)C=CC=C2,QWWBLOWZSRKRAS-UHFFFAOYSA-N
+D93C6F9E910E5D4D_090AA5BE2EC66E00_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)C)[S](=O)(=O)NOC2=CC(=C(C=C2)Cl)Cl,SCGIMHORGVRJCR-UHFFFAOYSA-N
+DA333CC82DDA3ADF_669F650683117AEC_7022_UN,C2(=C(C=C1C=CC=CC1=C2)Br)NC3CCOC34CCOC4,RTPRSPATDZETSJ-UHFFFAOYSA-N
+DA3E405C99498F02_961586C99CAE0487_7022_UN,C2(=C(C=C1C=CC=CC1=C2)Br)NCCC3CCCN(C)C3,KJOUFGNUIDBXTC-UHFFFAOYSA-N
+DA9AB0747808F70F_89B6AD810AAEF201_6041_UN,FC2=C(C=C1C=C[NH]C1=C2)N[C@H]4[C@H](C3=NC=C[N]3C)OCC4,RMJPLKYUQMAHTH-IUODEOHRSA-N
+DAD0229CE8A3DE6F_5A532093F4F328B6_6041_UN,CC1=NC(=CC(=N1)NC2(CCCC2)CC3=C(C=C(C=C3)F)F)C4CC4,HRXKOJBFGPTPNE-UHFFFAOYSA-N
+DC2B88B67D89A091_F4CB7B19367593DF_6003_UN,O(C2=C1OC(NCC1=CC=C2)=O)C3=CC=C(C(=C3)[N](=O)=O)C#N,OGAKOXVDPYDMSC-UHFFFAOYSA-N
+DC2EDF99BD926A22_F90254543C67EBC6_6029_UN,CC1=C(C=C(C(=C1)C)[N](=O)=O)N[S](C2=C(Cl)C=CC=N2)(=O)=O,GUUVMAAZDGWQOR-UHFFFAOYSA-N
+DCC6612D19ED2C1B_E38B31E12C8FF670_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NN=C2C(N(CC)C3=C2C=CC=C3)=O)Cl,AAGHYRAKJOKVHE-UHFFFAOYSA-N
+DE3620F4D788D93F_35A9B2C64E045B15_6038_UN,N(CC1=CC=C(C=C1)N2CC=CC2)C(=O)C3COC4=C3C=C(C=C4)[N](=O)=O,QARCESUQAWTHQL-UHFFFAOYSA-N
+DEDAD11AC2113AC8_9855268F56A8314E_6029_UN,CC1=CC(=C(C)S1)CN[S](C2=CC=CC(=C2C)C#N)(=O)=O,JSPHHTXYSKQVOB-UHFFFAOYSA-N
+DF72BE26114EAF8E_F01F85FDCE5486A4_6031_UN,O(C(=O)C1=C(C2=C([NH]1)C=CC(=C2)Br)F)CCCC[S](C)(=O)=O,JIWMDHVNTSOSOF-UHFFFAOYSA-N
+DF73E256DC1E3A0D_B750A6DF49295D61_7022_DP,C2(=C1C=CC=CC1=CC=C2Cl)NC34CCNC3CCC4,VZCWUYPGBUSEHN-UHFFFAOYSA-N
+DFD016FF72F699B6_1FDB909EA79F33D5_7009_UN,CC1=CC(=CC(=C1)C)[S](=O)(=O)NC(C2=C(CN(C)C)C=CS2)=O,FJPKCSJUCJGCQL-UHFFFAOYSA-N
+E09458BC78EA1597_A37D40B65CBF9BE3_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3=CC=C(C=C3)C4CCCCC4,KFDAMBKGFGOLTM-UHFFFAOYSA-N
+E0A1031EF4A9CE86_BF3A87AD8D7FEF59_6041_UN,CC1=C(C=C([N](=C1)=O)NCC2=COC(=N2)C3=CC=CS3)[N](=O)=O,FJTHSWYRKKMUDV-UHFFFAOYSA-N
+E1918F04D3D39D79_8CB5642DACD29D79_6026_UN,COC1=C(C(=C(C=C1)[S](=O)(=O)NN=C2C(=O)N(CC=C)C3=C2C=CC=C3)C)F,VWVSMIWNPVHCEM-UHFFFAOYSA-N
+E1CD00C61414A2D1_B394D9B3CA1E4E75_6038_UN,CN[S](=O)(=O)CCNC(CSC1=CC=C(OCC)C=C1)=O,LYXPOZYUMABSNQ-UHFFFAOYSA-N
+E2C561B5ACF43AE9_26D5B422FC4A89BD_6038_DP,N(CC2=NC1=C(C=CC=C1)C(=O)N2)C(C3SCCN3)=O,WVFSLJXDZLOEGU-UHFFFAOYSA-N
+E2DCD1C3E779DD12_C102C07087140E12_6038_UN,N(C1=CC=C(C=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)[NH]C(=N3)C4CC4,SKPSXCYKZIHGRS-UHFFFAOYSA-N
+E2FB038306C257E5_B22A376928A6CCB7_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC2=C(CN(CC)C(=O)C)C=CC=C2,OSUYHYXDCZUIPT-UHFFFAOYSA-N
+E3571DF804A968E2_022FBE68CD57C81C_6041_UN,C[N]1N=C(C=C1F)NC2C4=C(OC3(C2)CCC3)C=CC=C4,IADJJWXPVZVSGB-UHFFFAOYSA-N
+E35C7F4483DEAC52_E0E8903CB12B0F6F_6039_UN,O(CC2(CC1CO1)CCOCC2)CCOC3CCOC3,SELZXKLYNJNASR-UHFFFAOYSA-N
+E383A92308EFD81C_16F55298B86622C7_6031_UN,CC(CC(=C)C)C(=O)OCC1COCCC1(OC)OC,XXSOCKZVBQMFFP-UHFFFAOYSA-N
+E41CB5E695BF8B51_B7D94F24FC93F874_6041_UN,FC2=C(C=C1C=COC1=C2)NC3(CN(C)C)CCCC3,XAZFWQAIOUTXEO-UHFFFAOYSA-N
+E437DFD3B03AC141_9CAB7B5EFC498242_6041_UN,OC(=O)C1=CC(=C([NH]1)[N](=O)=O)NCC2=CC=C(CC)C=C2,DVYKOAXHXZGPLB-UHFFFAOYSA-N
+E4F84A0D9C25042E_286D5BA0E1A9BAE9_6039_UN,O(CCCC1CCOCC1)CC2CC3(CO2)CCOCC3,PQJROAHTJYJDKF-UHFFFAOYSA-N
+E4F84A0D9C25042E_7049DD0EDB16B894_6039_UN,O(CCCC1CCOCC1)CC2CC3(CO2)CCOCC3,PQJROAHTJYJDKF-UHFFFAOYSA-N
+E60BEDB517280C61_30CF741B956D37DD_6041_UN,CC1=C(C(=CC(=C1)NC2=C(C=CC(=C2)C)[S](=O)(=O)C)[N](=O)=O)C#N,JWUIYPLGOMCTOH-UHFFFAOYSA-N
+E68EAE9FE466BBB7_64559B7977ED87E6_6029_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)N[S](C2=CC=C(C=C2)CN=C=S)(=O)=O,NUGVJXJBYPCXLG-UHFFFAOYSA-N
+E6E63F1C62634B31_583C0E70B81AF6A3_6041_UN,FC2=C1C(=C[NH]C1=CC=C2)NCC3(N(C)C)CCCCC3,ONAHIUJFZSRFKU-UHFFFAOYSA-N
+E732300A6AB9E49B_D79148758C96F19A_6039_UN,O(CC1=C(C=CC=C1)N2CCCCC2)CC[Si](C)(C)C,DDICCTYRJAGJRM-UHFFFAOYSA-N
+E7953E84E81535F2_6AEB419CB5E51CC4_6035_UN,O(C(C1CCCC1)C2=CC3=C(C=C2)OCO3)C4=C(C(=C(C)C=C4)C)Cl,DDDWQFUQPOKXKQ-UHFFFAOYSA-N
+E7DA1C6F0AABC229_561B482D300440A7_6029_UN,CC1=CC(=C(C=C1)C)[S](=O)(=O)N[S](C2=CC(=CC=C2)N=C=S)(=O)=O,PKGSPABALPCYMD-UHFFFAOYSA-N
+E7E7B35F4B1A8AB0_D61AACBA3AFC997C_6041_UN,C1(=NC=NC(=C1)CC2CC2)NCC3(CC[Si](C)(CC3)C)C4=CC=CC=C4,IAHLUPNPKVJWQQ-UHFFFAOYSA-N
+E81E559CDF5C206B_304DB252D2A9C700_6041_UN,FC1=CC2=C(C=C1)[NH]C=C2NCC3CCCCN(C)C3,XRCQIOURLJFPEA-UHFFFAOYSA-N
+E8E132C3294A9D79_0D27DFC7E45442EB_6034_UN,FC1=C(C2=C(C(=C1F)F)N(C=C2)CC3(CN(C)C)COC3)F,HUROQCVXEILNFH-UHFFFAOYSA-N
+EA2CB3B5D26DF362_755D60D1032B1F96_6026_UN,CC1=COC(=N1)C2=CC(=C(C=C2)C)[S](=O)(=O)N[S](C3=CC=CC(=C3)OC)(=O)=O,ULCJVHXJYIRLDA-UHFFFAOYSA-N
+EA80439B12D203F0_E7C6348516251652_6043_UN,CC1=C(C=CC(=C1)N=[N]#N)N[S](CC2=C(C=CC(=C2)C)C)(=O)=O,JQZXYAFQMNJMNE-UHFFFAOYSA-N
+EB3075B3C16FA102_154D57DA5F0DDF64_6031_UN,O(C(=O)CC2=C1[NH]C3=C(C1=CC=C2)C=CC=C3Cl)CC4([S](C)(=O)=O)CC4,AMXLZIBCVKMQAX-UHFFFAOYSA-N
+EBA179AA89568E70_51D859261821F711_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC(=NC=C2)OC3=C(C=CC=C3)F)[N](=O)=O,RTIVWPMVVGMFDU-UHFFFAOYSA-N
+ECD64DAA20B5026B_81273EC2DC9BC675_6039_UN,O(C1COCC1CC2CC2)CC3=CC=CC(=N3)CCC,FWJOPKLJFBOIPK-UHFFFAOYSA-N
+EEEFAC5E42F9BDF0_EE13544FE250E1CE_6026_UN,CC1=C(C(=C(S1)C)[S](=O)(=O)NC2=C(SC)C=C(C=C2)Cl)C,QBDUJDMCCZOQTF-UHFFFAOYSA-N
+F340BC750A13AF9D_81B967200DA1C222_6027_UN,COCCOC1=C(C=CC=C1)N[S](=O)(=O)C2=C(C=CC(=C2)N=[N]#N)Cl,ASILUTVXVFPOSJ-UHFFFAOYSA-N
+F340BC750A13AF9D_81B967200DA1C222_7015_UN,COCCOC1=C(C=CC=C1)N[S](=O)(=O)C2=C(C=CC(=C2)N=[N]#N)Cl,ASILUTVXVFPOSJ-UHFFFAOYSA-N
+F343B6CA23244C82_C69FBE193B8C720B_6039_UN,O(CC1(CC1)C2=CC=CS2)CC3=C(ON=C3C)C4CC4,AFXYHYFZDZUUBH-UHFFFAOYSA-N
+F3547E148729163A_041B576BAEE300C2_6038_DP,N1CCOC2=C1C=CC(=C2)CNC(=O)C3=C(C=CC=C3F)[N](=O)=O,VCWMWRHGJYQNMZ-UHFFFAOYSA-N
+F4A59443A4F802CB_FDBC555402E7D072_6026_UN,CC1=C(C=C(C=C1)F)[S](=O)(=O)NN=C2C(N(CC)C3=C2C=CC=C3)=O,GOQLPBDAONWNHJ-UHFFFAOYSA-N
+F50728FC644BD34F_6B38C088C6F194FF_6039_UN,COC1(C[C@@H]2CC(COCCSC(F)(F)F)C[C@H]12)OC,ONGASUJPBLKTQU-DVRYWGNFSA-N
+F589AFC7CA821273_F7D33D271577DA8F_6026_UN,CC1=COC(=N1)C2=CC(=C(C=C2)C)[S](=O)(=O)N[S](C(C3=CC=CC(=C3)OC)C)(=O)=O,ALBIGKNISOQZKI-UHFFFAOYSA-N
+F966D49498EB7762_2A20D657C23DCDC5_6041_UN,FC2=C(C=C1C=COC1=C2)NCC3(N(C)C)CCCCCC3,WEWNVJLZHJOOAC-UHFFFAOYSA-N
+F99E360B8B5B81A6_E771B73457401DC4_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=CC=C(OC2=CC=C(CCOC)C=C2)C=C3,NHUQQVCTKLAYTH-UHFFFAOYSA-N
+FA525FBAA42907B2_20E0149EC3AD49B2_6043_UN,O=[N](=O)C1=CC(=C(C=C1)OC2=C(C=CC=C2)N[S](=O)(=O)C3(CCC3)C#C)Cl,SLARIOGGHUKTSG-UHFFFAOYSA-N
+FB1EF4200A6FF124_523D21B5C439AD67_6039_UN,O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3CN=C(O3)C4CC4,PFMHEIFSAWMXOV-UHFFFAOYSA-N
+FC01809D9B541A6C_BF1C7E0CFC2469AC_6038_UN,N(C1C3=C(OC2=C1C=CC=C2)C=CC=C3)C(CN[S](CC)(=O)=O)=O,HXJZXANWCOCCSA-UHFFFAOYSA-N
+FC66499F10EAFF33_567A8B2BDE667BE7_7009_UN,N([S](=O)(=O)C1(CCC1)C#C)C(=O)C(=O)CC2=CC(=CC=C2)Br,SMOXNVHJHRHOFA-UHFFFAOYSA-N
+FC7604A87DDF1406_B06D35F7FC0FF71E_6039_UN,O(CC2CCOC1(CCCC1)C2)CCC3COCCO3,SOPAHVVRXHKVKK-UHFFFAOYSA-N
+FD7A564929EF4D31_48D6B44F61A108C9_6041_UN,FC2=C(C=C1C=COC1=C2)NCC3N(C)CC4(CC3)CCC4,WIVSYMDLMHZEJU-UHFFFAOYSA-N
+FEC2CE74F68D987B_F30BD56919FE7325_6041_UN,FC1=C(C(=C(C(=N1)F)N[C@H]3[C@H](C2=NC=C[N]2C)OCCC3)C#N)F,DVZJGHVRCUMPAH-BXKDBHETSA-N
+FF379F3839DC29C0_64E7E0F969BB1F55_6041_UN,C2(=C1OCCC1=CC=C2)NC4=CC3=C(OCC(N3C)=O)C=C4,DKDGDCNSJOVZFW-UHFFFAOYSA-N
+FF7E053049DDE202_CEC21F805DACA4F4_6035_UN,O(CC1=C(OC=N1)C2CNC2)C3=C(C=CC=C3)[N](=O)=O,YHLBZPVTUSTIMO-UHFFFAOYSA-N