Added 323 molecules from epoch 16731 for P31645
Browse files- P31645_molecules.csv +323 -0
P31645_molecules.csv
CHANGED
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@@ -37989,3 +37989,326 @@ rxn:2:96779:122411,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCCCC2C)CC1,AXOICUWAHLRINU-UHFFFAOY
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| 37989 |
rxn:2:97220:96779,Cc1nn(CCN(C)C)cc1NC1CCN(C2CCCCC2C)CC1,WLPOZEWDYMFUBB-UHFFFAOYSA-N
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| 37990 |
rxn:2:97918:71073,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
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| 37991 |
rxn:2:98438:91227,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N
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| 37989 |
rxn:2:97220:96779,Cc1nn(CCN(C)C)cc1NC1CCN(C2CCCCC2C)CC1,WLPOZEWDYMFUBB-UHFFFAOYSA-N
|
| 37990 |
rxn:2:97918:71073,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
|
| 37991 |
rxn:2:98438:91227,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N
|
| 37992 |
+
00154357189D2A7D_6BDD95F904BD47E6_7017_UN,NC1=C(C=CC=C1O)[S](=O)(=O)N3C2(CI)CC(C2)(C#N)C3,UQSVKVVCHUJKGK-UHFFFAOYSA-N
|
| 37993 |
+
01D5F0325E23FE96_E05E5F10418F5B53_7017_DP,NC1=CC2=C(C=C1)C(=CC=C2)[S](=O)(=O)N4C3(CNC3)CC(=O)C4,IPKHQNOQWHNGEU-UHFFFAOYSA-N
|
| 37994 |
+
038657D51A61FEDB_5F9A5DF65F88243E_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NCC4=C(C)SC(=N4)C)N5,QVYJHZDMPYKTQC-UHFFFAOYSA-N
|
| 37995 |
+
04D20DEC1A089AF2_EA66C7505C3556D8_6029_UN,N(C1C2CC3CC1CN(C2)C3)[S](C4=C(O)C(=CC=C4Cl)Cl)(=O)=O,QVXOJGSFEFAFKN-UHFFFAOYSA-N
|
| 37996 |
+
06BFCD8CE5433C44_3F5B640A511C6851_6035_DP,N1CCC4(CC1)OC5(COC2=C(C(=CC=C2)C3CNCCC3)F)CC4(N)C5,KMDOBOGGRWCUOJ-UHFFFAOYSA-N
|
| 37997 |
+
072304D00962A3A7_AEDCD2C1F4EE2137_6038_UN,CN1C2CCC(C1)CC2CNC(=O)C3=C(C(=CC=N3)F)Cl,DUMHEHQKYXMXMP-UHFFFAOYSA-N
|
| 37998 |
+
0A0CEABB4486CD68_9D770583D370168D_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3C[C@H]4[C@@H](CNC4)C5=CC(=CC=C5)F,OWUHJSCNAPSTCN-FPOVZHCZSA-N
|
| 37999 |
+
0A0D516A4A9B199A_55B59CC1F26A66C8_6029_DP,N1C2CCCC1CN(C2)[S](C3=C(C=C(C=C3)C#N)C=C)(=O)=O,VUFZKNJDOCOCFL-UHFFFAOYSA-N
|
| 38000 |
+
0B43028849F46F59_2D1B99873C68B366_6026_DP,COC1=C(C=CC(=C1)Br)[S](=O)(=O)NC2C4CC3C2NCC3C4,UAVSZSZACNKPFY-UHFFFAOYSA-N
|
| 38001 |
+
0B7AB4466D1D4AA6_FFD9937120314830_6041_UN,COCC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCC4,QQYNMAYECYELOX-UHFFFAOYSA-N
|
| 38002 |
+
0CEF5D2E98D44EF7_DA853845290E35F4_6029_UN,C2N(C(C1=CC=CC=C1)C23CCCC3)[S](C4=CC(=CC(=C4)I)Cl)(=O)=O,VARNSNUXJLFBFW-UHFFFAOYSA-N
|
| 38003 |
+
0D80FE332402A65E_53449729FBB05527_6039_UN,O(CC2(CC1CO1)CCCC2)CC(F)C3CCOCC3,GRCHKCGWRQRFRS-UHFFFAOYSA-N
|
| 38004 |
+
0D83C13F0E495C7B_C242F7BB68C9A75B_6029_UN,C1C2CC(C1)C4=C(N(C2)[S](C3=C([N](=O)=O)C=CC=C3CBr)(=O)=O)C=CC=C4,VCVDURLZDHEYPQ-UHFFFAOYSA-N
|
| 38005 |
+
0EEF12E352C2CFAE_3E2EE96517937C59_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC(=C2)Br)NCC3=CC4=C(C=C3)CCOC4,CCYJCOXDZOSUPN-UHFFFAOYSA-N
|
| 38006 |
+
0EF7C35809351C2F_F1BE333527ED9A71_6028_UN,C1CC4(N1[S](C2=C(OC)C=CC=C2Br)(=O)=O)C3CC5CC(C3)CC4C5,SMHZKPYTWUWNIW-UHFFFAOYSA-N
|
| 38007 |
+
105D8814BE25E363_EC72E69C22A28C13_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2C3=C(C=CC(=C3)OC)C)Cl,LRBWRKLESRRTPS-UHFFFAOYSA-N
|
| 38008 |
+
1093869E41FEFD92_83D66513F4DFE1A9_6034_UN,FC1=CC2=C(C=C1)C(=O)N(C=C2I)CC4CCC3=C(C=CC=C3)CC4,RJBWFIYCPJLVOI-UHFFFAOYSA-N
|
| 38009 |
+
110DF29B6EAF8AD3_CADAF42DDD948A1D_6041_UN,C2(=C1OCCCOC1=CC(=C2)C#N)NC3=C[N](=CC=C3)=O,VWBFEPFQKKGWOP-UHFFFAOYSA-N
|
| 38010 |
+
11340EF0C8213BD8_1932DE6143EC7462_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC4C3CCCCC3NC4,IXSQEDLLLRISGI-UHFFFAOYSA-N
|
| 38011 |
+
1184942FC0F344FF_1424D691FBF7DE95_6034_UN,FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)C[C@]45CCC[C@H]4CNC5,KIDWKMYDTRYIOR-HRAATJIYSA-N
|
| 38012 |
+
137D973AF7F1D1D2_5212390EBB1CB8E5_6035_UN,CN1[C@H]4CC[C@@H]1C[C@H](OC2=C[N](N=C2)CC3=CC=C(C=C3)F)C4,JFWOTCDSSCYKKM-FVQHAEBGSA-N
|
| 38013 |
+
149B5ED4172C3595_F01A9C4E3B317243_6038_UN,CC1=C(C(=CC=C1)[N](=O)=O)NC(CCCCC2=CC(=C(OC)C=C2)OC)=O,QIEZUFRIOAMNAN-UHFFFAOYSA-N
|
| 38014 |
+
159646786EB6071B_F8A03EC1EB356954_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C2SCCS2)NC3=C(C=NC=C3)F,MAOJREIPHUNZEM-UHFFFAOYSA-N
|
| 38015 |
+
17CBFB42A6672767_F567593F4CC2CD4F_6039_UN,O(CC1(CCOCC1)C2CO2)CCC4COC3(CCCC3)O4,DDMHLLWOIHOBGY-UHFFFAOYSA-N
|
| 38016 |
+
1909405D22A8FCA2_BB7749BB724F45F8_6031_UN,O(C(=O)C12CC(Br)(C1)C2)CC4=CC3=C(C=CC=C3Cl)[NH]4,RDWNIDIIVIIFLU-UHFFFAOYSA-N
|
| 38017 |
+
1A9519A47C3F6FD1_FAC739C4E129F986_6029_UN,N(C1C3CC2CC(CC1C2)C3)[S](C4=C(CC)C=CC=C4Cl)(=O)=O,VBKKDUJDOYDBOG-UHFFFAOYSA-N
|
| 38018 |
+
1D89CCC22128A1BE_FA8D91C102254638_6034_DP,FC1=CC2=C(C=C1)[N](C=C2C3=CCNCC3)C[C@@]45CCCN[C@H]4CCCC5,GRAVLLSQUJJOAG-XZOQPEGZSA-N
|
| 38019 |
+
1DB67E39D4C8F813_53887365B65AD20F_6029_UN,COC(=O)C1C2CC(C1)CN(C2)[S](C3=CC=CC(=C3Cl)CBr)(=O)=O,MZTBIUSXLCTTFU-UHFFFAOYSA-N
|
| 38020 |
+
1DFA21A1F2CF0046_3E716EA4F3CC73FF_6031_UN,O(C(=O)C13CC(C1)(C2=CC=C(C=C2)Br)C3(F)F)CC4CCCCNC4,MCWYEKJDSLUZMM-UHFFFAOYSA-N
|
| 38021 |
+
1EDC18A615B59FF9_345D4969307E27AD_6038_UN,N(CC1=CC=C(C#N)S1)C(C2=C(C)C=C(C(=C2)[S](=O)(=O)Cl)C)=O,MQDQONCPDFJVLM-UHFFFAOYSA-N
|
| 38022 |
+
1F881E15A0826B03_9A18B7C8217C6FD6_6031_UN,O(C(=O)C1=C2C(=CC=C1)OCCNC2)CC3NCCC4=C3C=CC=C4,DRCHNRLNBOPQJS-UHFFFAOYSA-N
|
| 38023 |
+
2066BCD4B494BF1A_7E606D9B1687CAA9_6031_UN,O(C(=O)C1(C(CNC1)C2=CC=CC=C2)F)CC3(CC=CCO3)C(F)(F)F,MCYVPRXSMLJXNR-UHFFFAOYSA-N
|
| 38024 |
+
225AF77E3371358F_3287B9F47B76E9BC_6029_UN,C1C2CC3CC1CC(C2)N3[S](C4=C(C=CC(=C4)Cl)CBr)(=O)=O,JDUKBGSPPSYGCK-UHFFFAOYSA-N
|
| 38025 |
+
2348DD88EA8A444B_A1ADBAB6C6E66E7C_7017_DP,NC2=C1C=C(C=CC1=CC=C2)[S](=O)(=O)N4C3(CNC3)CC(=O)C4,MVDSIXUWDUIQKJ-UHFFFAOYSA-N
|
| 38026 |
+
2486AD6FF0BCA26D_EB313918165D57C9_2238_UN,COC(=O)C15CC2=C(CC1)C=C(C=C2C4(C3=C(Br)C=CC=C3NC4=O)N5)Br,JBELDJUGWQPMIF-UHFFFAOYSA-N
|
| 38027 |
+
24ACCE910B4B6B79_F9E276EC0B8A882F_6029_DP,N1C4CCC1CC2(CCCCN2[S](C3=C(C=C(C)C=C3O)Cl)(=O)=O)C4,IBZXDJULOZMBTG-UHFFFAOYSA-N
|
| 38028 |
+
282DB407CF00C6A4_B360B7D22A72FDBE_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NC5=CC4=C(N=N[N]4C)C=C5)N6,JHQNRVIEHFCRFU-UHFFFAOYSA-N
|
| 38029 |
+
2C62FA9DF9705C63_272940FA41BB8F09_6038_UN,CN1C2CCC(C1)CC2CNC(=O)C3=C(C(=CC=N3)Cl)F,JDJWXJRACYQDTM-UHFFFAOYSA-N
|
| 38030 |
+
2D00B48ABA37CC1E_3D00CAB5FDDB6E4A_6041_UN,CC1=C(C=C(C=C1)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3)[N](=O)=O,RZGXNZBMGOTAEF-UHFFFAOYSA-N
|
| 38031 |
+
2D7AE71AEE0F4F0B_A2C65C1B47F7D985_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NC3=CC=C(OC2=CC=C(CCOC)C=C2)C=C3,RKEHPXQSDHEDGS-UHFFFAOYSA-N
|
| 38032 |
+
2E21886B9AFDCD0B_BA4C739557DE8318_6041_DP,CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)NC4=C(C=NC(=C4)F)F,SEHIELLKFGOWGG-ZSBIGDGJSA-N
|
| 38033 |
+
2EC23E1C97250DDC_3D2AE449EA92AC35_6039_UN,O(CC2(CC1CO1)CCOCC2)CC#CC3CCCCC3,HEBSPFCZOCITTF-UHFFFAOYSA-N
|
| 38034 |
+
30BCF90617EF2536_88A5459FE2DB7B8F_6034_UN,ClC2=CC1=C(C=CC=C1)N(C2=O)CC4CCC3(CCN3)CC4,TULPOADOIYKRRH-UHFFFAOYSA-N
|
| 38035 |
+
31775AE76DD26646_46E5F8527DC8ADB9_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2)NC3C4=C(OCCC3)C=C(C=C4)F,KDUZXXZDDKQXEF-UHFFFAOYSA-N
|
| 38036 |
+
317A6D058161A0EE_94B13177ACC1FDD3_6028_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=C(C=CC(=C4)Cl)Cl)(=O)=O,OEZLXZYVRHTBFZ-UHFFFAOYSA-N
|
| 38037 |
+
31925C1E407904A0_659A5CDDA4F04029_6026_UN,C[N]1C=C(Br)C(=N1)[S](=O)(=O)NC2=C(C=C(C=C2Cl)C45CC3CC(CC(C3)C4)C5)Cl,CVCJBXXENZBDPS-UHFFFAOYSA-N
|
| 38038 |
+
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C467F914E4076BF6_E72B3D20445DF424_6038_DP,N4CC1=C(C=C(C=C1)OC(=O)C3=C2OCCNCC2=CC=C3)C4,JSJNULUZCDFAEO-UHFFFAOYSA-N
|
| 38197 |
+
C57EEED307F28AF5_E737FFC62B71B1E7_6039_DP,O(CC1(CCOCC1)C#N)CC2OCCC23CCNCC3,GIERVCXYKNVEGS-UHFFFAOYSA-N
|
| 38198 |
+
C6305A75ECF54EEE_F9437D18A3A8BBB0_6039_UN,O(C1(CCCC1)C2CO2)CC3=CC=C(SC(F)F)C=C3,BMNZXZLKWCOFPP-UHFFFAOYSA-N
|
| 38199 |
+
C68F37D9D0CE3C98_4266125DC9860E6B_6039_UN,O(C(CC=C)(C1CC1)C2CC2)CC3=CC=CC(=C3)C(F)F,XTABCKNNCJTCFV-UHFFFAOYSA-N
|
| 38200 |
+
C850CE9EBF1699A6_C4B0894825F45CEB_7019_UN,C(C1=CC=C(C=C1)C2CCCCC2)=CC3=CC(=C(O)C(=C3)Cl)Cl,VEWJQVVETCPZAR-UHFFFAOYSA-N
|
| 38201 |
+
C8B48E7A0F686ADF_4AFED615FF63746E_6029_UN,C1C3CC4CC(N1[S](C2=CC(=CC(=C2)C#N)C(F)(F)F)(=O)=O)C3C4,CEWQMEGTIGXUTB-UHFFFAOYSA-N
|
| 38202 |
+
C991845F35A816EE_06C67F0D55227790_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)OC3=CC=CC(=C3[N](=O)=O)C,QLSDYMZMZLCOMY-UHFFFAOYSA-N
|
| 38203 |
+
CA0F22AA8B73CC86_7A4CFA78CF257FAA_6029_DP,N1C3CCC(N1[S](C2=CC=CC(=C2)CCCCO)(=O)=O)C3,VLCPDSRWYHUPFX-UHFFFAOYSA-N
|
| 38204 |
+
CC80C218D998D5CD_0EAB8711227B753C_6029_UN,C1N(CC=C(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=C(OC)C=CC(=C4)C#N)(=O)=O,IQGQJRCZHBMLFB-UHFFFAOYSA-N
|
| 38205 |
+
CECAAF22A4C018AC_DBC928CF2708A86B_6041_UN,FC1=CC(=C(C=C1)NCC2=CC=CC(=N2)N(C)C)N=[N]#N,JOHGUMKCZDHWLY-UHFFFAOYSA-N
|
| 38206 |
+
CF40358F25CCA74B_2F00BECE2F454CA7_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NCCC4=NC=N[N]4C)N5,OHMQSNKDZPZBJS-UHFFFAOYSA-N
|
| 38207 |
+
CF4C31125F062BBC_0C8F501394FB0980_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3=CC(=C(CC)C=C3)[N](=O)=O,SNWQQXKINORVGS-UHFFFAOYSA-N
|
| 38208 |
+
D00C28B2F0E3F649_7384537508A779D0_6035_DP,N1CCC3(CC1)OC4(COC2=C(C)C=CC=C2Br)CC3(N)C4,MTPHVJCZHVIDDA-UHFFFAOYSA-N
|
| 38209 |
+
D07AA039220B47F2_7721D45CDE849899_6041_DP,CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC=C(N=C3)NC4=CC(=NC(=C4)F)F,XPGPBEUETRJJBN-PTEHBNRSSA-N
|
| 38210 |
+
D0A3C187909FF6F9_95985FD0972AE937_6041_UN,CC1=CC(=C(C=C1)NCC2=CC3=C(C=C2)OCCC3)[N](=O)=O,KRTUIPOXVVFVHQ-UHFFFAOYSA-N
|
| 38211 |
+
D1E8E3E28E154596_F3E531A9A9F36F83_6028_UN,C1CC4(N1[S](C2=C(OC)C=CC=C2Cl)(=O)=O)C3CC5CC(C3)CC4C5,LQHIGWCNNBCINY-UHFFFAOYSA-N
|
| 38212 |
+
D3278ACDAB1367A6_7F8B75D3867A929F_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(N(C)C)C=CC=C2Br)C3=CC=CC=C3,RSTOTMXAFRDSIL-UHFFFAOYSA-N
|
| 38213 |
+
D3B1854E5498AF2D_ACC835EB038992C0_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NCCC3=CC=C(N(C)C)C=C3,XKBXDJNPKSBULQ-UHFFFAOYSA-N
|
| 38214 |
+
D72893FC5527D38E_8651CC914A7C532F_6041_UN,CC1=[N](C=C(C=C1)NC2=C(C=CC(=C2C)C)[N](=O)=O)=O,WSKTXJNRJUKEKV-UHFFFAOYSA-N
|
| 38215 |
+
D7735521925013C6_365EAC18C7C30C08_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)OC3=C(C=C(CC)C=C3)[N](=O)=O,XULYNQFDRAALNY-UHFFFAOYSA-N
|
| 38216 |
+
D7CF3AC3216F807F_112D12D126618207_6041_DP,CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)NC4=CC(=NC(=C4)F)F,QFGWFAIHHKUPFP-PTEHBNRSSA-N
|
| 38217 |
+
D819A6E20B201D15_A155CB64F2080C62_6029_UN,C1C2CC1N(CC3=C2C=CC=C3)[S](C4=C(C=C(C=C4)C#N)C=C)(=O)=O,LBUNJRRAELLXOW-UHFFFAOYSA-N
|
| 38218 |
+
D83D1F435D105848_B78C09EFD9855AFF_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3)OC,HXPQTVCWABTCQN-UHFFFAOYSA-N
|
| 38219 |
+
D943AFAE493B6864_2CC962F7D6E2871D_6041_UN,FC1=C(C=C(C=C1)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C)N=[N]#N,KDFRQAWDWDHZTA-UHFFFAOYSA-N
|
| 38220 |
+
D943AFAE493B6864_EBF5B80ED5BE057B_6041_UN,FC1=C(C=C(C=C1)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C)N=[N]#N,KDFRQAWDWDHZTA-UHFFFAOYSA-N
|
| 38221 |
+
D996E46E88B5A8B6_EC2DC245B70DD78A_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)OC3=C(C)C=CC(=C3)[N](=O)=O,APANIXWQKCHVNC-UHFFFAOYSA-N
|
| 38222 |
+
DA012EA4D360DB8F_9978010717D1018D_6029_DP,N1C2CC(C1)CN(C2)[S](C3=C(C=C(C=C3)C#N)C=C)(=O)=O,IPCSHGCDQYMSHS-UHFFFAOYSA-N
|
| 38223 |
+
DBC099EA465EC284_406128E0034DE704_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N2CCCC2C3=C(C=CC(=C3)OC)C,OKJJVETZTCVBNX-UHFFFAOYSA-N
|
| 38224 |
+
DBFB39774A2ED53C_77E6118FB0C857C3_6041_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3,JTHGVOYRXHKSCR-UHFFFAOYSA-N
|
| 38225 |
+
DD126EE75020F587_5E0C990879BBDDF8_6038_UN,C[Si](C)(C)OCCNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCO3,YDBZCATZWTYZTK-UHFFFAOYSA-N
|
| 38226 |
+
DD6A3D6A9FFC2879_964FCD486664470D_6031_UN,O(C(=O)C1=C2C(=CC=C1)CNC2)CC3NC4CC3C=C4,XDRVHGZWHWBQJD-UHFFFAOYSA-N
|
| 38227 |
+
DDE5F2E37E26519E_6E094D438B70CF99_6028_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=NC5=C([N]4C)C=CC(=C5)Cl)(=O)=O,BOBAMUABEMXMRZ-UHFFFAOYSA-N
|
| 38228 |
+
DEB6851F5E9000AC_8636B8B882D94475_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NCC[N]4N=C(C)C=C4C)N5,LIWXGXWOCUFKMN-UHFFFAOYSA-N
|
| 38229 |
+
DEC2167A62973930_97B0ABA5DE89E93B_6038_UN,N(C1=CN=CNC1=S)C(=O)C2=CC3=C(C=C2)SCCC3,MGRAAPFOQCCXPW-UHFFFAOYSA-N
|
| 38230 |
+
DFC6C7BDD06D3E99_CF31B9A0833320CA_6038_DP,N5C[C@@H](OC(=O)C23CC1(F)CC(F)(CC(F)(C1)C2)C3)[C@H](CC4=CC=CC=C4)C5,IRJCMRZTEVRZMW-GNKGLNTNSA-N
|
| 38231 |
+
E07093382E177015_9E97E9C963761069_6035_UN,CNCC(OC1=CC(=CC=C1)C2NCCCC2)COCC3=CC4=C(C=C3)OCO4,NBSWOWDBCJFEPI-UHFFFAOYSA-N
|
| 38232 |
+
E0E0A8EDBDB29F1A_C8B7FC8CC296B458_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NCC4=C(C)C5=C([N]4C)C=CC=C5)N6,VIEAXUQUYFBMAO-UHFFFAOYSA-N
|
| 38233 |
+
E134EFBE826DE356_72FCD98A1550304D_6039_DP,O(CC1(CC=C)CCOCC1)CC2OCCC23CCNCC3,HFPVLFWAXUGJDU-UHFFFAOYSA-N
|
| 38234 |
+
E21C7883E11F8E4F_F9309D7079EA2F3E_6039_UN,O(C2C1CCOC1C23CCC3)CC4CC(=NO4)C5CC5,OQIZOGYXBASFJS-UHFFFAOYSA-N
|
| 38235 |
+
E22F73C4CD1DBB08_D8791BF2732DCBCE_6004_UN,NC1=C(C=C(C=C1)C2=C(OCOC)C=CC3=C2C=CC=C3)[N](=O)=O,PNHOKACKBUASEJ-UHFFFAOYSA-N
|
| 38236 |
+
E4F774DEEDB8456B_53320D111AA6EF83_6028_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(C=CC=C4Cl)Br)(=O)=O,FKAJVKWFXPCZRB-UHFFFAOYSA-N
|
| 38237 |
+
E5C0B79A131C2327_AD5456C4346122DB_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NCC4=CC(=N[N]4C)C5CC5)N6,CDNSHFMTEATOQD-UHFFFAOYSA-N
|
| 38238 |
+
E610973C500CA825_29C4209A4C02AC8B_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3CCCCC3C4=C(OC)C=CC(=C4)Cl,HZIKVFSPLCWYCJ-UHFFFAOYSA-N
|
| 38239 |
+
E6AF319A9471FC17_5F1885ECFDA852CA_6035_UN,COC2CC(OC1=C(C=CC=C1F)OC(F)(F)F)C23CCC3,RARDILMFGYWBPQ-UHFFFAOYSA-N
|
| 38240 |
+
E8BF7396D3F94D3D_20AF61297EAFAD4F_6031_UN,O(C(=O)C13CC(C1)(C2=CC=C(C=C2)Br)C3(F)F)CC4CCCCCN4,PEOOZDSPCIPINW-UHFFFAOYSA-N
|
| 38241 |
+
E8D117BB72ADC017_F3FE62835CF04981_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NCC3=CC=C(OCCOC)C=C3,QUJFINAQJJWJEX-UHFFFAOYSA-N
|
| 38242 |
+
E94126481776F5F7_0CDF9D1119DB069F_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NC3=C(CCN(C)C)C=CC=C3,XFLORIMEQKEVNS-UHFFFAOYSA-N
|
| 38243 |
+
EAAF4BCFD8582F48_063A6DF7673901D7_6038_UN,N(CCC1CC2CCC1C2)C(=O)CC3=C(C(=CC=C3)Cl)Cl,QQPKXISRMCNNMO-UHFFFAOYSA-N
|
| 38244 |
+
EAF29559D1A9C70E_9443527B37191FB9_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=C(N)C=C(N=C4)Cl,ZISMISNVOMGIEK-UHFFFAOYSA-N
|
| 38245 |
+
EDF86D48DC4E30B1_2E0FF590B9589918_6039_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCC1=C(F)C=NC=C1F)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,JEGDJNJROKLQIU-ARKYIFDVSA-N
|
| 38246 |
+
EE9C3358A7E4C20C_6C688242F0653F10_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(F)C=CC(=C4)Cl)(=O)=O,OVRULQIGMUDMJI-UHFFFAOYSA-N
|
| 38247 |
+
F08C90993ABB72B1_F7111ECD58924DE8_6041_DP,CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)NC4=CC(=C(C(=C4)F)N5CCCCC5)F,XYXXYSKOXNERCR-ALXJQNPVSA-N
|
| 38248 |
+
F0C1FF319C30ED97_318AB2334A35AE82_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NCCC2=CC(=C(OCC)C=C2)OC,DKTUSFGGERLJGY-UHFFFAOYSA-N
|
| 38249 |
+
F1231A645AC61DD9_0FBF66A8ACE79C40_6038_UN,N(C2=C1C=C[NH]C1=CC=C2)C(=O)C4=CN3C(=NCC3)C=C4,ZAVHRQZRXQWNBB-UHFFFAOYSA-N
|
| 38250 |
+
F17FA82B62F1D0DF_070FBCDDB2BF45D1_6038_UN,C[Si](C)(C)OCCCNC(=O)C1=CSC(=N1)C2=CC3=C(C=C2)OCCO3,UEGXFSRQCRRTOT-UHFFFAOYSA-N
|
| 38251 |
+
F1C766B7D76FC831_0094CB6E96640459_6041_UN,FC1=C(C=CC(=C1)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C)N=[N]#N,ARUPYPBFAHHXQH-UHFFFAOYSA-N
|
| 38252 |
+
F1C766B7D76FC831_F9B0F0B9FAA110FA_6041_UN,FC1=C(C=CC(=C1)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C)N=[N]#N,ARUPYPBFAHHXQH-UHFFFAOYSA-N
|
| 38253 |
+
F22A0E9390462F28_CB8F4F911685FE41_6038_DP,N2CCC(NC(=O)C(=CC1=CC(=CC=C1)F)F)C23CCCC3,GRRIFXQUKHONPD-UHFFFAOYSA-N
|
| 38254 |
+
F38150A452D32A6C_310E8D6212D76894_6038_DP,N4CCC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)CCO3)CC4,YAKXJVRWELEBRU-UHFFFAOYSA-N
|
| 38255 |
+
F39FC18F61AA251D_386D238C7619ED87_6039_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCC1=C(F)C=CC=C1F)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,LFXHJRIFMCLGTM-GJRSSBSYSA-N
|
| 38256 |
+
F39FC18F61AA251D_5C4BF41BA8BFB851_6039_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCC1=C(F)C=CC=C1F)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,LFXHJRIFMCLGTM-GJRSSBSYSA-N
|
| 38257 |
+
F42E33E21AAB9894_FA2A96ECE1E777E8_6026_DP,ClC1=C(C=CS1)[S](=O)(=O)NC4=CC2=C(C3NC2CC3)C=C4,SSJDJFBBWWBHJP-UHFFFAOYSA-N
|
| 38258 |
+
F45654889E40AC84_F77396871683ABC6_6035_DP,N1CC4(C1)OC5(COC3=CC=C(C2=CCNCC2)C=C3)CC4(N)C5,NSKYGCFYIIUKFY-UHFFFAOYSA-N
|
| 38259 |
+
F7BB16B7276E5979_947D567C36502B69_7022_UN,C(=CC1=CC(=CC(=C1)F)F)OC2=CC4=C(C=C2)CC3CCCCC3C4,AKDYEXNPHIENPO-UHFFFAOYSA-N
|
| 38260 |
+
F8B8F647EB83D6F1_01715A05DA04E3D6_6006_UN,COCCNC1=C(C=CC=C1C2=CC=C(N[S](C)(=O)=O)C=C2)[N](=O)=O,DZUZLFIARYSEDW-UHFFFAOYSA-N
|
| 38261 |
+
F8D55C86DE8E559D_B9E10B6BD88F5B4E_6035_DP,N1CCC4(CC1)OC5(COC2=CC(=CC=C2)C3CNCC3)CC4(N)C5,WHRSUJCYCHVCNO-UHFFFAOYSA-N
|
| 38262 |
+
F95D9182D5346417_49C4095D10CD0373_6029_UN,N(C1C2C1C3CCC2C3)[S](C4=C(O)C(=CC(=C4)C#N)Cl)(=O)=O,WIFNKMIUDHEGRN-UHFFFAOYSA-N
|
| 38263 |
+
FD0B3CDF855AA483_7BDD1FDD4C04AE19_6031_UN,O(C(=O)C12CC(Br)(C1)C2)CC3C4=C(OCCN3)C=CC=C4,FTAOZXDQHITTGH-UHFFFAOYSA-N
|
| 38264 |
+
FDF32D3F1A83A3C3_8F09AAB35061E872_6026_UN,COC1=C(C=CC(=C1)Br)[S](=O)(=O)NC2C3CC(C2)C4CC34,JCCMFHRHWNGXHU-UHFFFAOYSA-N
|
| 38265 |
+
FEE2B05634F8C2FE_5E746BF671238341_7019_UN,C(C2CCC1=C(C=CC=C1)C2)=CC3=C(Cl)C=CC4=C3OCO4,UTPMDVUJSYXUBP-UHFFFAOYSA-N
|
| 38266 |
+
FEEA78B6E788A6F6_22D9705AB04A679F_6006_UN,COCC1=C(C=CC(=C1)[N](=O)=O)C3=CC2=C(C=C(OCCOC)C=C2)C=C3,REKSAGYWEOAOKZ-UHFFFAOYSA-N
|
| 38267 |
+
rxn:1:61916:4381,C[C@@]12C=CCC1C1CC[C@H]3C[C@@H](n4cc(CNc5ccc(Cl)c(F)c5)nn4)CC[C@]3(C)C1CC2,PREGSBWXTXHCOZ-QABABBBSSA-N
|
| 38268 |
+
rxn:2:100355:124834,CCC1COCCN1CCCC(C)N[C@H](COC)C1CCC1,PHDFSAWDGDSADY-VMWRSERWSA-N
|
| 38269 |
+
rxn:2:107230:117932,CN1CCC2C(C1)c1ccccc1C2NCc1cc(CC2CC2)n(C2CCCCC2)n1,WTRVAPUPJYKZME-UHFFFAOYSA-N
|
| 38270 |
+
rxn:2:109523:69916,CCCC(CN1CCC(C)C1)NC1C(C)C(OC)C12CCC2,JJHFZOGACNEDGN-UHFFFAOYSA-N
|
| 38271 |
+
rxn:2:109523:70196,CCC1COC(C)CN1CCCC(C)NC1C(C)C(OC)C12CCC2,VEDRJLKUXHZXFJ-UHFFFAOYSA-N
|
| 38272 |
+
rxn:2:109523:76442,CCN1CCC(N(C)CCC(C)NC2C(C)C(OC)C23CCC3)CC1,AHTPSLZDORTCSR-UHFFFAOYSA-N
|
| 38273 |
+
rxn:2:109523:85798,CCC1CCCCCN1CCC(C)NC1C(C)C(OC)C12CCC2,CDYRJXZFZUPYDJ-UHFFFAOYSA-N
|
| 38274 |
+
rxn:2:109523:94672,CCC(CN(CC)C1CCCCC1)NC1C(C)C(OC)C12CCC2,LVDKGUCYQSOFPS-UHFFFAOYSA-N
|
| 38275 |
+
rxn:2:111635:139433,CC1CCCC(OCc2cccc(NC3CCCCC3CC3CC3)c2)C1,OUGPSYMAXMGSTF-UHFFFAOYSA-N
|
| 38276 |
+
rxn:2:116028:140687,CN(CC1CC1)CC1CCCCCC1NCc1ccnc(OCC2CCOCC2)c1,RBIFWDIKHCPGGM-UHFFFAOYSA-N
|
| 38277 |
+
rxn:2:117511:123368,COC(CNC1CCSc2ccc(OC(C)C)cc2C1)CC1CCCO1,JANQISPQSQVKQE-UHFFFAOYSA-N
|
| 38278 |
+
rxn:2:117511:147498,COc1ccc(C(NCC(CC2CCCO2)OC)C2CC2c2ccc3c(c2)OCO3)cc1,KYVKKIBGFVGEDL-UHFFFAOYSA-N
|
| 38279 |
+
rxn:2:117932:131642,CN1CCC2C(C1)c1ccccc1C2NCc1cc(CC2CCC2)nn1C1CCCC1,OLHHQXGYIWYNFT-UHFFFAOYSA-N
|
| 38280 |
+
rxn:2:117932:141701,CN1CCC2C(C1)c1ccccc1C2NCc1cc(CC2CCCC2)nn1C1CCC1,CHZXLRNZKVKHRF-UHFFFAOYSA-N
|
| 38281 |
+
rxn:2:119108:133774,CN1C2CCC(Nc3nnc(C45CC6CC(CC(C6)C4)C5)[nH]3)C1CC2,GGZBPZFETJTCIX-UHFFFAOYSA-N
|
| 38282 |
+
rxn:2:119759:146472,COCOc1ccc(C)cc1-c1ccc2c(c1)OCCC2NC(CC1CCCCC1)C1COCCO1,MQDTYKDCEMHBSR-UHFFFAOYSA-N
|
| 38283 |
+
rxn:2:124145:122201,COC1(CNC(COC2CCOCC2)c2ccc(C)s2)CCC(C)C1,GLVVFHMYRZTCHR-UHFFFAOYSA-N
|
| 38284 |
+
rxn:2:132803:133459,CCN1CCC(CNC2CCC(C)CC2CCOC)(N2CCOCC2C)CC1,LOTSEFKADDYBQE-UHFFFAOYSA-N
|
| 38285 |
+
rxn:2:139109:171734,C[C@]12CCC3c4ccccc4CCC3C1CCC2Nc1nnc(CC2CCCCC2)o1,JYNNGDZTPCCCPZ-JYZDCQSHSA-N
|
| 38286 |
+
rxn:2:139433:136997,CC1CCCC(OCc2cccc(NC3CCC(CC4CCOCC4)CC3)c2)C1,JWFOWCQRSYBPOZ-UHFFFAOYSA-N
|
| 38287 |
+
rxn:2:140330:102539,CN1CC[C@H](N(C)CCNC2CCC3CCCC2O3)C1,MLIGQZDRZRXOSU-CUUNVARJSA-N
|
| 38288 |
+
rxn:2:141701:117932,CN1CCC2C(C1)c1ccccc1C2NCc1cc(CC2CCCC2)nn1C1CCC1,CHZXLRNZKVKHRF-UHFFFAOYSA-N
|
| 38289 |
+
rxn:2:66280:70196,CCC1COC(C)CN1CCCC(C)NC1CC(OC)C12CCC2,ACZAVIJLWFGNQK-UHFFFAOYSA-N
|
| 38290 |
+
rxn:2:69216:169651,COc1cc2c(cc1-c1cccc(OC3CC3)c1)CCC2NCC(C)OCC1CCCO1,JKPVOTUTIAGTEM-UHFFFAOYSA-N
|
| 38291 |
+
rxn:2:69585:86625,COC(CCNC1CCCC1CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2,AYQUHZRIKNDSQH-UHFFFAOYSA-N
|
| 38292 |
+
rxn:2:69916:109523,CCCC(CN1CCC(C)C1)NC1C(C)C(OC)C12CCC2,JJHFZOGACNEDGN-UHFFFAOYSA-N
|
| 38293 |
+
rxn:2:70196:109523,CCC1COC(C)CN1CCCC(C)NC1C(C)C(OC)C12CCC2,VEDRJLKUXHZXFJ-UHFFFAOYSA-N
|
| 38294 |
+
rxn:2:70196:88104,CCC1COC(C)CN1CCCC(C)NCC1C(OC)C12CCCC2,FWFCCVLPIVAJJV-UHFFFAOYSA-N
|
| 38295 |
+
rxn:2:71417:112657,CN1CCC(c2ccc(N3CCC(NCCC4CC5CC5C4)C3)nn2)C1,ZYKBYTOZZDYBQP-UHFFFAOYSA-N
|
| 38296 |
+
rxn:2:73519:114542,Cn1cccc1C(COCC1CCOC1)NCCC1CC2(CCC2)C1,MIQHIDOECDWJFK-UHFFFAOYSA-N
|
| 38297 |
+
rxn:2:73519:118124,Cn1cccc1C(COCC1CCOC1)NOCC1CCCCN1C1CCCCC1,NSKVGKVUDODBFL-UHFFFAOYSA-N
|
| 38298 |
+
rxn:2:73519:98203,Cn1cccc1C(COCC1CCOC1)NCCC1CC2(CCCC2)C1,SFDGPXWATIUNKW-UHFFFAOYSA-N
|
| 38299 |
+
rxn:2:75727:128489,CC(C)CSCCNC1CCN(C)C2(CCOCC2)C1,MGCGCLHPLCGYLT-UHFFFAOYSA-N
|
| 38300 |
+
rxn:2:76442:109523,CCN1CCC(N(C)CCC(C)NC2C(C)C(OC)C23CCC3)CC1,AHTPSLZDORTCSR-UHFFFAOYSA-N
|
| 38301 |
+
rxn:2:78834:139433,CC1CCCC(OCc2cccc(NC3CCOC34CCOCC4)c2)C1,WNLRZFCILWYFKH-UHFFFAOYSA-N
|
| 38302 |
+
rxn:2:79656:135230,CN1OC2CCCC(NCc3cc4c(nc3OC3CCC3)CCC4)C2C1c1ccccc1,HXBVRMYJXIOTEI-UHFFFAOYSA-N
|
| 38303 |
+
rxn:2:83637:123131,CN(C)C1(C)CCC(NCCC#CCN2CCCC2)CC1,GQHWJKJUMRHULD-UHFFFAOYSA-N
|
| 38304 |
+
rxn:2:85798:109523,CCC1CCCCCN1CCC(C)NC1C(C)C(OC)C12CCC2,CDYRJXZFZUPYDJ-UHFFFAOYSA-N
|
| 38305 |
+
rxn:2:86625:128544,COC(CCNC1CCCC1CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2,OEDIMZDWZVMAKI-UHFFFAOYSA-N
|
| 38306 |
+
rxn:2:86625:69585,COC(CCNC1CCCC1CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2,AYQUHZRIKNDSQH-UHFFFAOYSA-N
|
| 38307 |
+
rxn:2:86625:85154,COC(CCNC1CCCCC1CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2,ZTVHTXATRXNHPQ-UHFFFAOYSA-N
|
| 38308 |
+
rxn:2:88104:70196,CCC1COC(C)CN1CCCC(C)NCC1C(OC)C12CCCC2,FWFCCVLPIVAJJV-UHFFFAOYSA-N
|
| 38309 |
+
rxn:2:91160:93066,CN(C)CCN(C)C1CCC(NCCC#CCN2CCC2)CC1,JFGORYQCMAORHB-UHFFFAOYSA-N
|
| 38310 |
+
rxn:2:91160:95443,CN(C)CCN(C)C1CCC(NCC#CCN2CCC2)CC1,OHTKLBDYTFSTPE-UHFFFAOYSA-N
|
| 38311 |
+
rxn:2:93066:91160,CN(C)CCN(C)C1CCC(NCCC#CCN2CCC2)CC1,JFGORYQCMAORHB-UHFFFAOYSA-N
|
| 38312 |
+
rxn:2:94672:109523,CCC(CN(CC)C1CCCCC1)NC1C(C)C(OC)C12CCC2,LVDKGUCYQSOFPS-UHFFFAOYSA-N
|
| 38313 |
+
rxn:2:97059:138699,CCN(CC)CC(C)(C)NC(CCOC)C1CCCC1,UGXPYBOLCZKTLD-UHFFFAOYSA-N
|
| 38314 |
+
rxn:2:99164:139433,CC1CCCC(OCc2cccc(NC3CCOC4(CCCCCCC4)C3)c2)C1,ITGPDYBSFBKTSV-UHFFFAOYSA-N
|