Added 146 molecules from epoch 16599 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +146 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -19283,3 +19283,149 @@ rxn:2:83575:125570,,
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| 19283 |
rxn:2:87605:109709,,
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| 19284 |
rxn:2:88592:109709,,
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| 19285 |
rxn:2:96676:141415,,
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| 19283 |
rxn:2:87605:109709,,
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| 19284 |
rxn:2:88592:109709,,
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| 19285 |
rxn:2:96676:141415,,
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| 19286 |
+
00476AF492295AA8_9F06E6413794EB85_6038_UN,COC(=O)C2C[C@H]1[C@@H](C[C@H]1C2)NC([C]4(C(OC)=O)C[C]3(C[CH2]C3)C4)=O,YNAUCDCKBYUNKI-ZXCYLUJYSA-N
|
| 19287 |
+
02FBC79EE443E811_771F3EEB8905BB0A_6029_UN,COCC13CC(C1)(CN[S](C2=CC(=N[N]2C)C(F)(F)F)(=O)=O)OC3,DCXNFVVHPAPSBB-UHFFFAOYSA-N
|
| 19288 |
+
0308CD3190CF63FF_A266670391D4A5BC_6038_UN,N(C1=CC2=C(C=C1)[N](O)N=N2)C(=O)C=CC3=CC=C(O3)C4OCCO4,IRIJWWMCJRXUGS-UHFFFAOYSA-N
|
| 19289 |
+
03903976C179B05B_F50A152DE1D2962B_6026_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)N2CC3CC2(C(F)(F)F)C3,SKZHACZHCIHQGM-UHFFFAOYSA-N
|
| 19290 |
+
03EED475AFE4DC5D_58434F0177BAC1E4_6034_UN,CCC1=NC(=S)C(=C(C)N1CC23CC(C(OC)=O)(C2)OC3)C#N,NJDBCSBJDRMRSR-UHFFFAOYSA-N
|
| 19291 |
+
0530A24E242F32CF_9C943D8B6BD15B3A_6038_UN,CC(OC([C@@H]1C[C@H]1C3=C(OCC)C=C2CC(OC2=C3)C)=O)C4CCC(C)C4,BIQWVBDNRRGIRP-HKCNKORYSA-N
|
| 19292 |
+
05F59C889F4AE17D_C40FC0D0BEF47C47_6029_UN,N(C(C1C(C1)C2=CC=CC=C2)C3=CC=C(C=C3)F)[S](C4=NOC(=C4)C5CO5)(=O)=O,KLGWNFZFULXEDK-UHFFFAOYSA-N
|
| 19293 |
+
068F1EC7D03319F7_52D62F16D2FABA6D_6038_DP,OC(=O)CN3CCC(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)CC3,MIBHMFYFRMAYLZ-GOEBONIOSA-N
|
| 19294 |
+
078D2009427166D5_EC81109BB7368219_6034_DP,CC1=C(SC(N1CCNN)=N)C2=NNC(=S)N2C3CC3,FGWWEIQAXSNKIK-UHFFFAOYSA-N
|
| 19295 |
+
0AAC5885EB54A303_B36A7BB17236C032_6035_UN,O(CC12CCC(CC1)(C#C)CC2)C3=CC=NC(=N3)CC(C(OC)=O)N,OLJQGNJPLBQHAO-UHFFFAOYSA-N
|
| 19296 |
+
0B6B63929C0F2E6C_FFF104E691D0264C_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NC(=C[NH]4)C(C)(C)C)(=O)=O)Cl,CIZCJJBMRSBOGS-UHFFFAOYSA-N
|
| 19297 |
+
0B9038791115A5EF_FACE809149496400_6035_UN,NCC23CCC(COC1=C(N=CC(=C1)C(OC)=O)Br)(CC2)OC3,ACSIJBFOUUUCGT-UHFFFAOYSA-N
|
| 19298 |
+
0EA5B2D554FDC476_681F09771D114FFB_6041_UN,OC(=O)C1=C([NH]N=C1C2CC2)N[C@@H](CC(OC)=O)CC(C)C,OQLLTVDHMGYQJE-SNVBAGLBSA-N
|
| 19299 |
+
14BEEB554D3F7760_613AB2E24D7BDA9C_6038_UN,CC(CNC(C1=C(OC)C=NN=C1OC)=O)N2C[C@H](C)O[C@H](C)C2,ADSYJWHMKLYXKF-YOGCLGLASA-N
|
| 19300 |
+
14D214A34AA08E1B_FFAAE9A009F8804E_6029_UN,N(C1=C(C=CC(=C1)[N]2N=NN=C2C3CC3)F)[S](C5=C(C)N=C4C=CC=CC4=C5O)(=O)=O,NFZGCNCCXJRWIC-UHFFFAOYSA-N
|
| 19301 |
+
1855718FE5A62C41_06F17CD85C051110_6031_UN,CC1=N[NH]C(=C1N)C(=O)OCC23CCC(CN)(CC2)OC3,IOFPLEMKSCASEH-UHFFFAOYSA-N
|
| 19302 |
+
18F5A767B5D0EA5D_DE28AB093FCB4CFA_6028_UN,N(C1=C(C=C(C(=C1)Br)SC#N)Cl)[S](C2=NN=C(O2)C45CC3CC(CC(C3)C4)C5)(=O)=O,RZCINAORIKMVBK-UHFFFAOYSA-N
|
| 19303 |
+
1997242BED014AD3_CD610FD183B4EFCD_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C3=CC2=C(SN=C2C)N=C3)=O,OIIBYMMSKDLVQG-UHFFFAOYSA-N
|
| 19304 |
+
19E597FEFC8311C4_99D3C90D4E00E0D3_6035_UN,NCC13CCC(CC1)(COC2=CN=C(N(CC(OC)=O)C)N=C2)CO3,MNAUZGXIPJMSBR-UHFFFAOYSA-N
|
| 19305 |
+
1B78402767571256_81C2B1253D5B8C45_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3(F)CNCC34CCC4,POXIDOXLFRWDAH-UHFFFAOYSA-N
|
| 19306 |
+
1BEE53DEA000B46B_7E84DA283B533962_6035_UN,NCC23CCC(COC1=C(C(=N[NH]1)C(OC)=O)Br)(CC2)OC3,VWZQSHSWRZFFPN-UHFFFAOYSA-N
|
| 19307 |
+
21611C46E5CC764E_188232E19CBA3BEB_6038_DP,CC[C@H](NC([C@@H]1CC2(CN1)CC2)=O)C(=O)OC3CCCCC3,AJIQUAVYPGWCLQ-KBPBESRZSA-N
|
| 19308 |
+
25772E1FBB9F3AA1_A433F97CBB6CF1FA_6038_UN,COC(=O)[C@@H]3CC[C@H](COC(C1CC2CN(C(OC)=O)C1C=C2)=O)O3,ZHFAXUNAESOATQ-IAPOMNSZSA-N
|
| 19309 |
+
26121D3FC7C0984B_47E1227F3B6FAC4A_6034_UN,CN1C=C(C(=S)N)C(=O)N(C1=O)CC23CCC(CN)(CC2)OC3,DSTNLUPUNJQTBZ-UHFFFAOYSA-N
|
| 19310 |
+
268318E7BEB2B2F1_95AC668B6384FE7B_7019_UN,OC(=O)C1=CSC(=N1)C=C[C@@H]2CCCC[C@H]2O[Si](C(C)(C)C)(C)C,GJEVPROXGDZACG-DZGCQCFKSA-N
|
| 19311 |
+
2706BD105479F5C7_72A41C3608DB4474_6039_UN,O(C1=CC2=C(C=C1)OCC2=O)CC3=NC=C(O3)C4CC4,XQSGIZYVXLCAEI-UHFFFAOYSA-N
|
| 19312 |
+
2732EC506BF290F8_8E3846269A1756FE_6034_UN,ClC1=CC2=C(C=C1)N(C=C2CC#N)CC3CO[S](=O)O3,KDORGSFQSHKXIS-UHFFFAOYSA-N
|
| 19313 |
+
29501A063ACC3FEA_793E875C8E016A3B_6031_DP,NCC[N]1C=C(N=N1)C(=O)OCC23CC(C(OC)=O)(C2)OC3,PYTZKXODHKVLPM-UHFFFAOYSA-N
|
| 19314 |
+
2B690B5D55193199_DAAACA2CDC23DAAC_6038_DP,CC[C@H](C)[C@H](NC([C@@H]1CCO[C@H]1C2CCNCC2)=O)C(=O)OC,FRQRXCIWEVNEQF-ATGSNQNLSA-N
|
| 19315 |
+
2D8CE3000B2D6BB3_6D8264B3DBAB86E6_6034_UN,CC1=C(SC(N1C[C@@H]2[C@@H](CN(C(OCC)=O)C2)N)=N)C3=NNC(=S)N3C4CC4,KYAVIVVJBWPBHA-ZYHUDNBSSA-N
|
| 19316 |
+
2DE58AA1D96C166C_8BE907EAD120D7F2_6038_UN,N(CC1(CC1)[N]2C=CN=N2)C(C3CC(C(C)=NO)C3(C)C)=O,SNQXEVZUNVCZRY-UHFFFAOYSA-N
|
| 19317 |
+
3163CCFFEB1B3B45_8FFC825C2FF2FBEF_6041_DP,C1(=NN=C(S1)C2CC2)N[C@H]3CNCC[C@H]3C4=CC(=C(OC)C=C4)F,RBEBDOPQZZBZEQ-JSGCOSHPSA-N
|
| 19318 |
+
3179B4F30D0E7142_5E972E5DA653A5BC_6038_UN,N([C@@H]1CC[C@@H](CC1)[N](=O)=O)C(C2CC(OC)(C2)C#N)=O,QPQCERJACWKDLE-VOZVASTJSA-N
|
| 19319 |
+
31FAF28B09CD886E_1F300B551EEDA5C7_6031_UN,O(C(=O)CC1CC(C1)C(F)F)CC(ON)C2CCCC2,JSYHWWQOUFOEIZ-UHFFFAOYSA-N
|
| 19320 |
+
31FAF28B09CD886E_ADA0CEB6CACD69BB_6031_DP,O(C(=O)CC1CC(C1)C(F)F)CC(ON)C2CCCC2,JSYHWWQOUFOEIZ-UHFFFAOYSA-N
|
| 19321 |
+
3281372FA62CB889_6E2AD66355B95B3B_6038_UN,COC(=O)[C@H]1[C@H](CC1)NC(C2CC(C(OC)=O)(C)C2)=O,NTDUNVWVTXYBGZ-HDCINBLHSA-N
|
| 19322 |
+
3420B34E95686D23_6DF67C31B0A2F323_6038_UN,C[C@@H]1CC[C@@H](O1)C2=N[N](C)C=C2COC([C@]3(C[C@H]3C(OC)=O)C(C)C)=O,RFLMQOWYDYGCSK-NMLBAAHISA-N
|
| 19323 |
+
373970665E509C6A_E44C1F9E79B8038B_6041_UN,OC(=O)C1=C([NH]N=C1C2CC2)N[C@@H](CC(OC)=O)C(C)C,OUJTXCZRRJHTRV-VIFPVBQESA-N
|
| 19324 |
+
37CB65B9AC983C66_8BB6265EC2F3A14A_6038_DP,OC(=O)CN3CCCCC(NC(C1[C@H]2CCNC[C@@H]12)=O)C3=O,LVPBZUZSMOTZHS-KIENENRBSA-N
|
| 19325 |
+
3897C57440F165E1_D2F7C55137CAADB2_6038_UN,N(C[C@H]1[C@@H](COC1)[N]2N=NC(=C2)C(=O)N)C(C(=C(C)C3CC3)F)=O,BHFBSRFZZYJTLG-ZYHUDNBSSA-N
|
| 19326 |
+
3A075B9830C43505_89B71922B613B723_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC3(C(OC)=O)CC(OC(C3)(C)C)(C)C,KBZSKRTUPXBWQF-VXGBXAGGSA-N
|
| 19327 |
+
3CA68BF0C2A09B86_41161AABF7C3F6B9_6038_DP,OC(=O)C2(CNC(C1=CSC(=N1)C(OC)=O)=O)CCOC2,NSYZFHVKYKJWTP-UHFFFAOYSA-N
|
| 19328 |
+
41E101D0783751E5_D4C1033F8F2D5271_6038_UN,COC(=O)[C@H]1[C@H](CCCC1)NC(C2(C(OC)=O)CC2C)=O,OAOZBVGCHYSSFC-WWALYXLFSA-N
|
| 19329 |
+
46C7A036F145BBC5_4ECEF2E78FE27CC1_6038_DP,CC[C@H](C)[C@H](NC(C1(CCNCC1)CF)=O)C(=O)OC,BEMSLNFEVUTHMX-QWRGUYRKSA-N
|
| 19330 |
+
49039CB031D161AC_FB760E154E79E135_6009_UN,OC(=O)C=C(C(=O)O)C1CC2CC(C(O)=O)CC(C1)C2,NXOVRQIBMXPSDC-UHFFFAOYSA-N
|
| 19331 |
+
495596013BCA9646_7F718101EFB045BD_6038_DP,COC(=O)C2C[C@H]1[C@H](C[C@H]1C2)NC(C3(CC(OC)C3)NC)=O,BZHPHCFGGQZVBM-QLRYEKGRSA-N
|
| 19332 |
+
4CF16A76A5789FE9_D7325094BEA78232_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C3=CC2=C(N=NC(=C2C)C)C=C3)=O,ZXGBVKJJYNSWQB-UHFFFAOYSA-N
|
| 19333 |
+
4E8B4D72D5150DCD_711406BF1F0B4FB7_6031_UN,C[N]1N=NC(=C1N)C(=O)OCC23CCC(CN)(CC2)CO3,SRCBRLPIRBBJRG-UHFFFAOYSA-N
|
| 19334 |
+
4EC32627CE1DB8EF_6D7AE86DBEF73DDB_6038_DP,CC[C@H](C)[C@H](NC(C1CCC(CN1)(C)C)=O)C(=O)OC,QDVCSTPROYPUJZ-PRWSFJOGSA-N
|
| 19335 |
+
4F2AD1986388A919_C3D95B6B4E64BA96_6039_UN,OC(=O)C2CC(OCC1=NC(=CC(=N1)OC)C)(C2)C#C,VYXPIDVWYUSOPQ-UHFFFAOYSA-N
|
| 19336 |
+
52B9F6F9FEDF534D_83316231E23D5664_6029_UN,N(CC1=CC2=C(N=C1)C(=CC=C2)F)[S](C3=NOC(=C3)C4CO4)(=O)=O,FBJGCJUIDCJILS-UHFFFAOYSA-N
|
| 19337 |
+
550F598A98DF5B20_707AD0D21C232879_6016_UN,O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)S,JWXJOIDRMOLSTC-UHFFFAOYSA-N
|
| 19338 |
+
575A6D04C0EF755C_0F43B8CFCF12630F_7019_UN,ON=CC(=NO)C=CC1=CC=CC(=C1)C2=C(F)C=CC=C2,MKICQDMHVGVMRR-UHFFFAOYSA-N
|
| 19339 |
+
58B3A5F29777B905_C70CBCB1815D7312_6038_UN,COC1=NSC(=C1)[C@H](C)OC([C@]2(C[C@H]2C(OC)=O)C(C)C)=O,JPUWSZHKTMRSSC-AMJWSMQMSA-N
|
| 19340 |
+
5AD4EF8988972654_742DECE0BA99FDF9_6038_DP,CCC(=C(N=O)C(=O)OC)OC(C[N]2C=C([C@@H]1CNC[C@H]1OC)N=N2)=O,JNBSQAFSPXQUEA-JOYOIKCWSA-N
|
| 19341 |
+
6309284F8694D90D_1A73B0C715B91E11_6035_UN,O(CC2CC1(CC1F)C2)C3=CC=CC4=C3C(=O)OC(C)C4,HHPZJEOTFKRVRF-UHFFFAOYSA-N
|
| 19342 |
+
648BC2A0831AFB60_98C91B90B4E298EF_6038_UN,COC1=N[N](C)C=C1COC(C23CCC(OC2(C)C)(C)CC3)=O,YXHZZAHPXZJBET-UHFFFAOYSA-N
|
| 19343 |
+
649622321430A2EA_0EFC737D89046DB7_6035_UN,O(CC1(CNC1)C#N)C2=C(OC)C(=NC(=N2)C3CC3)C,MSIMFXGMHRUZAF-UHFFFAOYSA-N
|
| 19344 |
+
6647DF7E0A82C821_B2181C5DEACF9DB4_2875_UN,CC([N]1N=NC(=C1)CO[S](C(F)(F)F)(=O)=O)C23CC(C2)CO3,XHLJYBRDNJYACR-UHFFFAOYSA-N
|
| 19345 |
+
6A828357E5A8D722_043087F8D73D1220_6038_UN,CC[C@H](NC(C1=CCC(C)(C)CC1)=O)C(=O)OC2CCCCC2,JNFINEPYWVKULL-INIZCTEOSA-N
|
| 19346 |
+
6B36B5758EF054B0_90B45D301C23A5FB_6038_UN,CC[C@H](NC(C2CC1(CC1C(OCC)=O)C2)=O)C(=O)OC,QKVQUHSOILREOG-RUIJOYPPSA-N
|
| 19347 |
+
6B7C55DD117E2CC0_515D4C101B94A8C6_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C2=CC(=NO2)OC)=O,OTIKEUGNCFZFKK-UHFFFAOYSA-N
|
| 19348 |
+
6CC90E28F1CE98DF_605DD11317D8CA30_6034_UN,CN1C=C(C(=NO)N)C(=O)N(C1=O)CC23CC(C(OCC)=O)(C2)C4(O3)CNC4,DJZUZCLGVUDFTQ-UHFFFAOYSA-N
|
| 19349 |
+
6D6BB25CD2FB400C_B3280B51AF776F19_7019_UN,C(C1=C(C=CC=C1)OC2CC2)=CC4=CC(=C3C=CC=CC3=C4O)Cl,WXBQYWKZCKFVMQ-UHFFFAOYSA-N
|
| 19350 |
+
706BD186C78CE1C0_ACC2F88343E6E8BD_6034_UN,NC1=C(C=C(C=C1)Cl)C3=NC2=C(C=CC=C2)N3CC4CO[S](=O)O4,GKEQDYNOAAZFOU-UHFFFAOYSA-N
|
| 19351 |
+
720A41DBCFEB5A80_5910FCFD536F5671_6038_UN,S(C1COC1)C(C(C)C2=CC3=C(C=C2)C4=C(C3)C=CC=C4)=O,YYRZONULOYXPJD-UHFFFAOYSA-N
|
| 19352 |
+
77E80E4C0C5FFC47_18B15E78E6F28CEE_6031_UN,O(C(=O)C23CC1(F)CC(F)(CC(Br)(C1)C2)C3)CC(ON)C4CCCC4,VOINHZRNFYWDOX-UHFFFAOYSA-N
|
| 19353 |
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77E80E4C0C5FFC47_AA219B9B32D24092_6031_DP,O(C(=O)C23CC1(F)CC(F)(CC(Br)(C1)C2)C3)CC(ON)C4CCCC4,VOINHZRNFYWDOX-UHFFFAOYSA-N
|
| 19354 |
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7B683640E37B5598_183201B33338D93E_6038_UN,COC(=O)[C@H](NC([C@]1(C[C@H]1C(OC)=O)C(C)C)=O)C3=CCC2C(C2)C3,NAFMFOUEGAYATK-RKBZNLNSSA-N
|
| 19355 |
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7D0461CC05A6796B_2DD2B081AFE7E78E_6034_UN,CN1C=C(C#N)C(=O)N(C1=O)CC23CCCCN2CCCC3,OSQDYUXGZIOMOO-UHFFFAOYSA-N
|
| 19356 |
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7E1A9CC8642111E8_52AB6AFDF4C89E5B_6035_UN,O(CC1(CC#N)COC1)C2=C(OC)C(=NC(=N2)C3CC3)C,JJGFWQSZYCGQLT-UHFFFAOYSA-N
|
| 19357 |
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7EF487E12CA54CB1_EDFC154452DDE508_6035_UN,NCC13CC2(CC(CC(C1)C2)C3)OC4=C[N](C(C)C)N=C4C(=O)C,RHMGLJWTQVGEOR-UHFFFAOYSA-N
|
| 19358 |
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841D15FB11EE44A6_DF40A4A5150021D7_7019_UN,C(CCCC1CC1)=CC3=CC(=C2C=CC=CC2=C3O)Cl,JCBVHNMMZPARAT-UHFFFAOYSA-N
|
| 19359 |
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85A9ECCBF6B063B4_B57AAD69210ABB0B_6035_UN,O(CCC1(CC1)C#N)C2=C(OC)C(=NC(=N2)C3CC3)C,MRTUCVJUKQCZPO-UHFFFAOYSA-N
|
| 19360 |
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86E6B2F68EA1490F_65B59F910AD3E89B_6031_DP,OC(=O)C1CCC(CN1)C(=O)OC[C@@H]2C[C@H]2C(OC)=O,VDGJIHPCSXIORR-APTHBXDWSA-N
|
| 19361 |
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88625701C6C39565_AFAD88B7C1C66A71_6031_DP,N1CC(C1)N[C@H]2C[C@H](C2)C(=O)OC[C@H]3C[C@](CN)(C3)F,OGZFXSVXRRZXQU-KJPVTZHCSA-N
|
| 19362 |
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88A4EB25EB08C28C_7E569F3C55CB1993_6041_UN,CC1=C(C=C(C(=C1)C2OCCO2)C)N[C@@H](CC(OC)=O)C(=O)O,GCSPNQPBGYZELG-ZDUSSCGKSA-N
|
| 19363 |
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89471863ED756CDE_44267380FBF7896A_6034_DP,CC3=NC1=C(C=CC(=C1)B2OC(C(O2)(C)C)(C)C)[N]3C[C@@H](C(O)=O)N,VZNJFZQANPAZRJ-LBPRGKRZSA-N
|
| 19364 |
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8BD5894F92D2B25B_CABCE6D578590AD7_6028_DP,CC(N[S](C1=NN=C(O1)C2=CC3=C(C=C2)OCO3)(=O)=O)[C@@H]4C[C@H](C(=O)O)C4(C)C,QSNDKFZZJWUUQL-CLGJWYQZSA-N
|
| 19365 |
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8E606A843649F6AE_7223C529B9CBD2BD_6038_DP,CC[C@H](C)[C@H](NC(C1CNCC(C1)(C)C)=O)C(=O)OC,STKSCSMXCZULIP-PRWSFJOGSA-N
|
| 19366 |
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8FCF1110FA3CFD55_4040C638891AE917_6029_UN,COC12CC(C1)CN(C2)[S](C3=C(OCOC)C(=CC(=C3)F)F)(=O)=O,MOPIJKBRRVXRMI-UHFFFAOYSA-N
|
| 19367 |
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90011A98EAF01C87_CD0DE55A168D50C4_6036_UN,NCCN1C2CCC1CC(C2)N(C(C)(C)C)[S](=O)(=O)C3(CCl)CC3,XZYOCUMYLOQSMR-UHFFFAOYSA-N
|
| 19368 |
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91EBD5002CFDD75D_DCD910EC140991FE_6038_DP,CCC(=C(N=O)C(=O)OC)OC([C@H]2N[C@H]1CCCC[C@H]1C2)=O,BQLSFCXFASMZHF-DCAQKATOSA-N
|
| 19369 |
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9662E2F689481838_CFA3E96E42C7E843_6038_UN,CC(CNC(C1=CSC(=N1)C(OC)=O)=O)N2C[C@H](C)O[C@H](C)C2,KPLONJRTKFVIAD-FGWVZKOKSA-N
|
| 19370 |
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9AD337DD8C0DC4D5_71AD4C16F18AF174_6026_UN,CC[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)N2CC3CC2(C(F)(F)F)C3,YPCGBPGWWGLQFQ-UHFFFAOYSA-N
|
| 19371 |
+
9B9FD522A104291D_EFD49FBD34156669_6038_UN,C[C@H](NC(C1=CCCC(C)(C)C1)=O)C(=O)OC2CCCC2,BQMXVZXGOPPLGB-LBPRGKRZSA-N
|
| 19372 |
+
9D96EE63EC5ECD35_212CD0BB19AE5F53_6036_UN,C(C1CN2CCC1CC2)N(C(C)(C)C)[S](=O)(=O)C3(CCC3)CN,ATLIXGJMIMFJLF-UHFFFAOYSA-N
|
| 19373 |
+
9E6B9F22AF3FED58_8AC5D6363A0AAF01_6034_UN,C[N]1C2=C(C=N1)C(N(C(=N2)CN)CC34CCC(CC3)(C#C)CC4)=O,SKSYVLCGQPNZJO-UHFFFAOYSA-N
|
| 19374 |
+
9E95686A019E4BE5_62369F55B7D9C971_6038_DP,CC[C@H](C)[C@H](NC(C(=C1CCNCC1)F)=O)C(=O)OC,IWPDJQDHTGYLDU-CABZTGNLSA-N
|
| 19375 |
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9FB5016D1E20F07D_94DF6C6B8E5142AF_6035_UN,O(CC2CC1(CC1F)C2)C3=C(OC)C(=NC(=N3)C4CC4)C,RTWIMDDLJMJCLN-UHFFFAOYSA-N
|
| 19376 |
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A2F5331B08992372_7B8321526A7DF2E0_6035_DP,NCC2CC(OC1=CC=CC(=C1C=NO)Br)C23CCC3,TUFVTLQLALMWJZ-UHFFFAOYSA-N
|
| 19377 |
+
A4C31AC97193BCF3_9C844A4BCF19C40E_6038_DP,OC(=O)C1CCCC1NC([C@]2(C[C@H]2C(OC)=O)C(C)C)=O,QWPAQMHKGPGXTB-SFJPCSRHSA-N
|
| 19378 |
+
A4E856030E093C7D_0FD8F50CF64B1F00_6031_UN,COC1=C(NC(=O)NC1=O)C(=O)OCC4CN2CC3CC2(C3)CO4,CKECERMKEYDUSR-UHFFFAOYSA-N
|
| 19379 |
+
A6D1DA5CBF1A010F_EFEE051259FFEA15_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(CC)N3CCNCC3,KLUHFKFJJVXIOK-UHFFFAOYSA-N
|
| 19380 |
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A8F745D286D69CD3_FB60FD7128602B7D_6038_UN,CC[C@H](NC([C](C)=[C]1C[CH2]C1)=O)C(=O)OC2CCCCC2,WGTNPQQDPLSILY-HNNXBMFYSA-N
|
| 19381 |
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AA131D5013BF014C_CF514DD37E64C84C_6041_UN,OC(=O)C1=C([NH]N=C1C2CC2)N[C@H](C(OC)=O)CC(C)C,GSCPIPMWQQEDEZ-VIFPVBQESA-N
|
| 19382 |
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ACE0AA266A496D9D_5128BF42A1F71ECD_6038_UN,NC(=N)C1=NC=CC(=C1)NC([C@]2(C[C@H]2C(OC)=O)C(C)C)=O,FZMOWJFGUUPXQC-ZUZCIYMTSA-N
|
| 19383 |
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AE23AEEBEBD59012_C75A5BBD725F0339_6031_DP,NCC14CCC(CC1)(C(=O)OCCC3=C(C)NC2=NC=N[N]2C3=O)C(O4)(C)C,NTCBOLKPJCIXHK-UHFFFAOYSA-N
|
| 19384 |
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B3302A87FEF9AFAC_E9BD9EA5EFFE5F4B_6038_DP,N1CC[C@@H]([C@@H](F)C1)[N]2C=C(NC(=O)CCCCCN=[N]#N)C=N2,MEANHPUJIQUSOE-STQMWFEESA-N
|
| 19385 |
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B34A536BDB4D3A23_93B6184DF8D3DFA5_6031_DP,N1CC(C1)N[C@H]2C[C@H](C2)C(=O)OC[C@@H]3C[C@](CN)(C3)F,OGZFXSVXRRZXQU-AWJUWLMUSA-N
|
| 19386 |
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B56C69D069D1E36E_EF0D7353E3B5BCA3_6041_UN,C1(=NSC(=N1)C2CC2)NC(C3=CC(=C(OC)C=C3F)OC)C,MGGQMADEVZRZFO-UHFFFAOYSA-N
|
| 19387 |
+
B570D57DEB487DFB_7ABB8A00D46CCF52_7019_UN,C(C1=CC(=CC=C1)SCC2=CC=CC=C2)=CC3=C(O)C4=C(C=C3)OCO4,SDRBNJOHKSNBIQ-UHFFFAOYSA-N
|
| 19388 |
+
BAEFD98D87A53F06_C9F4042DDB5A7780_6038_DP,CC[C@H](C)[C@H](NC(C1COC(CN1)(C)C)=O)C(=O)OC,LBVMCBSMLSJYJF-JRUYECLLSA-N
|
| 19389 |
+
BB1D9DB8D3CEFF23_B23806614AFCFC7E_6038_DP,CCC[C@@H](NC(C2=CC1(CCNCC1)C2)=O)C(=O)OC,AKRKTENSWLBMRK-GFCCVEGCSA-N
|
| 19390 |
+
BB53D47B2B446D84_8E7DE02FA9B93009_6038_DP,CC[C@H](NC(C2CC1CCNCC1CC2)=O)C(=O)OC,DSZHCIJXJWEPIF-SKQCGHHBSA-N
|
| 19391 |
+
BBBE32D7499382D5_FDA1F467F04B3842_6038_UN,CC[C@H](NC(C(=C(C)C1CC1)F)=O)C(=O)OC2CCCCC2,KEQXCAFHKPDYNR-AWEZNQCLSA-N
|
| 19392 |
+
C061D30F4C3AFDCD_8F9458EEE08E33D4_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=CC3=C(C=C2)OCCCO3)S,JUQSVPOJMRCOBZ-UHFFFAOYSA-N
|
| 19393 |
+
C1C6CC8F4A5B626F_29F0A4BCA3D41C09_6034_DP,CN1C=C(C(=S)N)C(=O)N(C1=O)CC34OC2(CNC2)C(C3)(N)C4,AGMGJKCPJKLPMP-UHFFFAOYSA-N
|
| 19394 |
+
C3B9F39DA733DBAE_84DE1A75FA85D095_6035_UN,O(CC2(CC1CO1)CCCC2)C3=C(SC(=C3)C(OC)=O)C(=O)OC,KHWQYVNDJZOLDL-UHFFFAOYSA-N
|
| 19395 |
+
C65D6CF8D3C83BC6_3E51686BC87109BD_6038_UN,CC(C)[N]1N=CC(=C1C2CC2)NC(C3CC(C(C)=NO)C3(C)C)=O,ZBKOWEODQMEFLO-UHFFFAOYSA-N
|
| 19396 |
+
C740473E60673D2C_E1E836BEEF4B02B2_6034_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)C4=C(Br)CCC4=O)Cl,DKTSDPFWTVPISH-UHFFFAOYSA-N
|
| 19397 |
+
C7A9FBD4F636DD83_67B61A9FEB2D5B79_7017_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)N3C2(CC(CC)(C2)C3)CN,JCBIZWIVRNSRRM-UHFFFAOYSA-N
|
| 19398 |
+
CF7C9614FD00CA08_3AE2A3D4B05BF35E_6038_DP,C[C@H](NC([C@@H]1CC(CN1)(C)C)=O)C(=O)OC2CCCC2,QUGOAKAYRGGFAG-JQWIXIFHSA-N
|
| 19399 |
+
CFF6D718E07D9A31_30F13D1D45B87073_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C2=COC(=N2)OC)=O,QUSFZYYMSQFLDD-UHFFFAOYSA-N
|
| 19400 |
+
D5AB31C3F954ABCC_21CE2A5B7B0E7354_6031_UN,O(C(=O)[C](=[C]1CC[CH2]CC1)F)CC(ON)C2CCCC2,IYPMQNQVBQFTCT-UHFFFAOYSA-N
|
| 19401 |
+
D5AB31C3F954ABCC_935EEFB8AF2EBF28_6031_DP,O(C(=O)[C](=[C]1CC[CH2]CC1)F)CC(ON)C2CCCC2,IYPMQNQVBQFTCT-UHFFFAOYSA-N
|
| 19402 |
+
D7EAA361266CC5C4_839805360075A68D_6038_UN,COC(=O)[C@H]1SC[C@H](C1)NC([C@]23COC[C@H]2CN(C(OC)=O)C3)=O,OSXMVZAQMVTEPG-DZHLUBAWSA-N
|
| 19403 |
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D92403F4D391D6DF_632ED9B55AE57F8B_6031_UN,O(C(=O)[CH]2C[C]1(C[CH](C1)C#C)C2)CC3=C(ON=C3OC)C,JSNTZVYCLYSFMI-UHFFFAOYSA-N
|
| 19404 |
+
DA21E2239DEB4733_2D9B87BC4747F088_6038_DP,N(CCCC1=N[NH]C(=C1C#N)N)C(CC2(CNC2)C(=C)F)=O,XSDPNTSBJSJIAX-UHFFFAOYSA-N
|
| 19405 |
+
DC897475929D8689_2BFA3B07CB760332_6034_DP,CN1C=C(N)C(=O)N(C1=O)CC2CCC3(CN2)CCCC3,WIMJXKCYBDQKCB-UHFFFAOYSA-N
|
| 19406 |
+
DD5CA6B74E5FE5A8_3AD67BE64B051FE2_6038_UN,COC(=O)[C@@H]3CC=C[C@H](OC(=O)[CH]2C[C]1(C[CH](C1)C#C)C2)C3,QWJAOONEACMNNM-GUYONRIMSA-N
|
| 19407 |
+
DE724B8E20965091_33B232383468B84D_6034_UN,CN1C=C(C(=NO)N)C(=O)N(C1=O)CC23CC(N)(C2)C4(O3)CCOCC4,AOJXMUXBRMFDIT-UHFFFAOYSA-N
|
| 19408 |
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DF6AD526AAFE2578_029E10A4C3933CF6_6038_UN,C[C@@H](NC([C@H]1CC[C@@H](CCC(OC)=O)O1)=O)C(=O)NO,DELCPRBONLCAOD-HRDYMLBCSA-N
|
| 19409 |
+
E04E01C70451A343_B97F13051ABE5492_6038_DP,OC(=O)C3(CNC([C@@H]1CCO[C@H]1C2=C[N](CCOC)N=C2)=O)CCC3,WCTUMOLTRVNTOX-KGLIPLIRSA-N
|
| 19410 |
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E18F2CD7376962AB_8B40C245ECD953E1_6031_UN,C[N]1N=NC(=C1N)C(=O)OCC23CCC(CN)(CC2)OC3,FUWOHMAXIYBGQS-UHFFFAOYSA-N
|
| 19411 |
+
E3611D17589E6B92_17F113E9BB3D5778_6038_UN,COC1=NSC(=C1)[C@@H](C)OC([C@]2(C[C@H]2C(OC)=O)C(C)C)=O,JPUWSZHKTMRSSC-HFBDOXOYSA-N
|
| 19412 |
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E4C4C4F90D333D98_D8B70089594D4E28_6038_UN,CC2=C(OC(C(=CC1CCC(C)CC1)C)=O)C(=O)CO2,UPDFNVSSVMQJPZ-UHFFFAOYSA-N
|
| 19413 |
+
E4EDBA2F9572873A_EA92BFDC751D8B1E_6041_UN,CC1(CC2=C(CC1)C=C(C(=N2)NC(C)=C(C#N)C(=O)O)C(=O)O)C,CZUZMFRTBBFUNF-UHFFFAOYSA-N
|
| 19414 |
+
E7BFD3E2E334EA37_32D86F43B26E63C5_6034_UN,CN1C=C(N)C(=O)N(C1=O)CC23CCCCN2CCCC3,KPPSORJIYGJVGA-UHFFFAOYSA-N
|
| 19415 |
+
E7C87528B3B4B6B0_AF5239C88E5D9CA0_6038_DP,OC(=O)[C@H]1C[C@H](CC1)NC([C]3(C(OCC)=O)C[C]2(C[CH2]C2)C3)=O,LRSTWEWNXITCLH-NEPJUHHUSA-N
|
| 19416 |
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E7DA630153BD8D69_B3114AEC136C1965_6028_UN,N(C2C[C@@H]1OC(O[C@@H]1C2)=O)[S](C3=NN=C(O3)C5=C4C=CC=CC4=NC(=C5)C6=CC=CS6)(=O)=O,ZCLIFUOXEDPTEF-PPOQKSSISA-N
|
| 19417 |
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E8E649FC213EBE8C_DA0316296FB7A75A_6035_UN,O(CC1(CC#N)CC1)C2=C(OC)C(=NC(=N2)C3CC3)C,RCGWTHSJEWMSLA-UHFFFAOYSA-N
|
| 19418 |
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E99DD2688AF6BEB2_AC25D0B79CE18733_6034_UN,CN6C(=O)N(C)C1=C(N(C(=N1)Cl)C[C@@H]5C=C[C@H]([N]2C=NC3=C2N=C(N)N=C3NC4CC4)C5)C6=O,CBWJITJDLKOMQX-PWSUYJOCSA-N
|
| 19419 |
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EABC5DAC155E27F9_2A1262E532652B66_6038_DP,OC(=O)CN3CCCCC(NC(C1[C@@H]2CNC[C@H]12)=O)C3=O,WULYCXPIFFDWLA-GJYTXDDASA-N
|
| 19420 |
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F121E36B91F0B604_22AF9BF138B3309D_6038_DP,C[C@H](NC([C@@H]1C[C@H]1C2CNC2)=O)C(=O)OC3CCCC3,ATZGPONUHHCVKK-TVYUQYBPSA-N
|
| 19421 |
+
F708C62D11DC3217_DED56AC3D7FA286B_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=CN=C2)NC(CC[S](C)(=N)=O)C(=O)O,OHLIUULJEYUAIB-RWIWUGSVSA-N
|
| 19422 |
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F98A0852FA07506B_93D00319A90201BE_6038_DP,CC1=C(C1COC(C[C@@H]3CN[C@@H]2COC[C@H]2O3)=O)[Si](C)(C)C,MFBDCOAKQMXAAP-ZXCYLUJYSA-N
|
| 19423 |
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FAD52AE32E3417EA_E5A59988E55BFFE2_6041_UN,CC1(C)OB(OC1(C)C)C2=C(ON=C2N[C@@H](CC(OC)=O)C(=O)O)C3CC3,MESAIXIBJRPXHK-JTQLQIEISA-N
|
| 19424 |
+
FD0DD34516463472_5A1A878DD4C87F1D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(=C3CCCNC3)F,DXEVFJWSLLBFJF-UHFFFAOYSA-N
|
| 19425 |
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FD0DD34516463472_E0EE7949438AE979_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(=C3CNCCC3)F,DXEVFJWSLLBFJF-UHFFFAOYSA-N
|
| 19426 |
+
FD766E0B6E94FE3F_B0E82EE52B546DE7_6034_DP,CCC1=C[N](C2=C1C=C(C=N2)B3OC(C)(C)C(C)(C)O3)C[C@@H](C(O)=O)N,JWXFXBYLKJEUNV-AWEZNQCLSA-N
|
| 19427 |
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FE8A2733059586D1_1EA9F02B84839448_6038_DP,C[C@H](NC([C@H]1CC(CN1)(C)C)=O)C(=O)OC2CCCC2,QUGOAKAYRGGFAG-CMPLNLGQSA-N
|
| 19428 |
+
FE94E222ADCE41B4_32B7BFC0C45B5D48_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C(C4=CC=C(C)C=C4)O5)(=O)=O)Cl,KRJSKLNEXMPJFQ-UHFFFAOYSA-N
|
| 19429 |
+
rxn:2:101320:137989,,
|
| 19430 |
+
rxn:2:107092:106489,,
|
| 19431 |
+
rxn:2:83811:86439,,
|