Added 128 molecules from epoch 16035 for O55192
Browse files- O55192_molecules.csv +128 -0
O55192_molecules.csv
CHANGED
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@@ -29667,3 +29667,131 @@ FBF9FCA91196BE59_FD6903251E0EB73F_6029_UN,N(C1=C(C=CC=C1)CCC=C)[S](C2=CC=CC(=C2F
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| 29667 |
FC952DD6CE4F1428_B516DA4DB2090535_6041_UN,COCCCC(C#N)C1=CC=C(C=C1)N[C@H](C)CC2=CC3=C(C=C2)OCCO3,POHYRLFPELFFJD-DIAVIDTQSA-N
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| 29668 |
FE7D2D292355ED5E_7517081855DDD586_6028_UN,CN(C)[S](=O)(=O)C1=CC(=C(C=C1)F)N[S](C2=C(C=CC(=C2)Cl)Br)(=O)=O,JKSVPDJTVNIBMH-UHFFFAOYSA-N
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| 29669 |
FECD2C09B1B29E96_95275C4651F59B41_6038_UN,COC1=CC(=CC=C1)C(CNC(=O)CSCC3=NC2=C(C=CC=C2)S3)N(C)C,LPDKUMSSBGVQHF-UHFFFAOYSA-N
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| 29667 |
FC952DD6CE4F1428_B516DA4DB2090535_6041_UN,COCCCC(C#N)C1=CC=C(C=C1)N[C@H](C)CC2=CC3=C(C=C2)OCCO3,POHYRLFPELFFJD-DIAVIDTQSA-N
|
| 29668 |
FE7D2D292355ED5E_7517081855DDD586_6028_UN,CN(C)[S](=O)(=O)C1=CC(=C(C=C1)F)N[S](C2=C(C=CC(=C2)Cl)Br)(=O)=O,JKSVPDJTVNIBMH-UHFFFAOYSA-N
|
| 29669 |
FECD2C09B1B29E96_95275C4651F59B41_6038_UN,COC1=CC(=CC=C1)C(CNC(=O)CSCC3=NC2=C(C=CC=C2)S3)N(C)C,LPDKUMSSBGVQHF-UHFFFAOYSA-N
|
| 29670 |
+
00DC3E0FE285166C_5BC05E1EAF68C81C_6003_UN,CC1=CC(=CS1)COC2=C(C=C([N](=O)=O)C(=C2)[S](=O)(=O)Cl)F,BRPFGMJZIUXXAN-UHFFFAOYSA-N
|
| 29671 |
+
04B211F15D0DCFA9_F6A4CFA0572F3D37_6038_DP,CCOC(OCC)C(C)NC(CC2OCC1(CNC1)C2)=O,CQVUIMUMVNLIJP-UHFFFAOYSA-N
|
| 29672 |
+
093AB5C3D7C2B276_1FDE7735C63D3EFA_6038_DP,CCOC(OCC)[C@@H](C)NC(CC2OCC1(CNC1)C2)=O,CQVUIMUMVNLIJP-JHJMLUEUSA-N
|
| 29673 |
+
0A8D4649735EF2A5_82D433B5B29C603E_6035_UN,COC1=CC(=C(C=C1)COC2=C(C=NC(=C2C)C)[N](=O)=O)F,PNHVTFACKLNMKM-UHFFFAOYSA-N
|
| 29674 |
+
0B25844967B36942_8B235CE73D31B16C_6031_DP,NC[C@H]1[C@H](OCC1)C(=O)OCCC(C)C2CCNCC2,GMANDTHQEYWKOL-VNXPTHQBSA-N
|
| 29675 |
+
0D3AE241A12D87FA_82A08547490734BD_6031_UN,CSCCC1NC(CS1)C(=O)OCC(N)C2CCCO2,QJIPUASSDJDBRC-UHFFFAOYSA-N
|
| 29676 |
+
0D8ACF2FF6A5C3A2_95F81EBF26ECF380_6038_DP,O([C@H]1CCCOC2=C1C=CC=C2)C(C4=NC3=C(CCNC3)S4)=O,QPVWIBJJDFYJAC-AWEZNQCLSA-N
|
| 29677 |
+
0FC5CF814C2854AA_D64019C23D7340AF_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(CCC)C=CC=C2)Cl,XIUQFNBTEVXXKO-UHFFFAOYSA-N
|
| 29678 |
+
10EC5BCEC022D739_4D0BDDB1C125D780_7009_UN,CC(=O)NCC[S](=O)(=O)NC(=O)C1=C(C=CC(=C1)F)I,BHUMQWINORGTAB-UHFFFAOYSA-N
|
| 29679 |
+
13D8439D12F5FF0F_C923971A880F5023_6031_UN,O(C(=O)C1=C(C=CC=C1Br)Br)CC2C3CCC#CCCC23,SLPZNSFCEYSZAH-UHFFFAOYSA-N
|
| 29680 |
+
14F9E9CE01EAC79C_0C7843AD58D77B10_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)N(C)CC2=CC=CS2,SDMFXQYCCKPNMM-UHFFFAOYSA-N
|
| 29681 |
+
17F00B4A593D49DA_414E0D2E12875C0D_6031_UN,O(C(=O)C2=C(C=C1C=CC=CC1=C2)F)CC3C4CCC#CCCC34,ROVLKFVOTUOVLT-UHFFFAOYSA-N
|
| 29682 |
+
1AF86D5DB6EC7EB0_C3405597C0093918_7022_UN,COC1=C(C(=CC=C1)F)OC3C2CCOC2C34CCC4,STHMYUQRIMYBQA-UHFFFAOYSA-N
|
| 29683 |
+
1C4070EC450B9E7E_7FE272A31C1AF443_6041_UN,FC1=C(C=CC2=C1CCC2)NCC3N(C)CC4(CC3)CC4,LYBROYMGLDWXBF-UHFFFAOYSA-N
|
| 29684 |
+
1D922EFF348BC789_2E377605A15429BA_6031_UN,CC(C)(C(=O)OCC1CNCC(O1)C(F)(F)F)C2=CC=CS2,LDTYTDYBSCXBBQ-UHFFFAOYSA-N
|
| 29685 |
+
1E631AA912322A34_65ADFDB27A4FBA28_7009_UN,C[S](=O)(=O)NC(=O)C1=C(C=CC(=C1)[S](=O)(=O)CC#N)F,CVBFIUQWYCKXRY-UHFFFAOYSA-N
|
| 29686 |
+
20C5DC1EF434B8E4_1C2A569629F30699_6041_UN,C[N]1C(=NC2=C1C(=CC=C2)F)NCC3N(C)CC4(CC3)CCC4,VHODSOCPOBRCDP-UHFFFAOYSA-N
|
| 29687 |
+
20C89EE9964D8EB2_26FA402A48CEA651_6031_UN,O(C(=O)C2=C1OCCCC1=C(C=C2)Br)CC3C4CCC#CCCC34,DJSTZBYKIVQINC-UHFFFAOYSA-N
|
| 29688 |
+
2558BFE38B746D27_D269581AFDFB864F_6003_UN,C[S](=O)(=O)CC1=C(C=CC=C1)OC2=C(C=C([N](=O)=O)C(=C2)F)F,FAADGEHUNPJTKF-UHFFFAOYSA-N
|
| 29689 |
+
265758387F3AFAFB_36738CCDB891639D_7019_UN,C(C12CCC(CC1)CC2)=CC4=CC3=C(C=CC(=C3)F)O4,KJCSHAVAVSLBIV-UHFFFAOYSA-N
|
| 29690 |
+
274E038C9D601CF6_F5F12D7FD67FA9B0_6041_UN,FC1=C(C(=CC=C1)NCC2(CN(C)C)CCOCC2)C3CC3,DTWBZWXSUNEYMF-UHFFFAOYSA-N
|
| 29691 |
+
29FD09E4C4472CA3_B78718810EB78EAA_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NCC3N(C)CC4(CC3)CCC4,VIDBZJJZJNSCPV-UHFFFAOYSA-N
|
| 29692 |
+
2B84350C1B8B2900_0960DB18DA737F36_6031_UN,NOC1(CNC1)CC(=O)OC[C@H]2[C@@H](CNC2)C3CCOCC3,NUUUNCXWZNJFEJ-STQMWFEESA-N
|
| 29693 |
+
2D028C808836C222_3B036E24C364DB1C_7019_UN,C(CC2C1CC3CC(C1)CC2C3)=CC4=CC=[N+](C)C=C4,MIPRZSFAEKZPKQ-UHFFFAOYSA-N
|
| 29694 |
+
31F69DECE6B3F10E_D707F207D0B13156_6031_UN,O(C(=O)C1=C(C=CC=C1F)Cl)CC2C3CCC#CCCC23,MOZIQMMVPFEOGT-UHFFFAOYSA-N
|
| 29695 |
+
34C7171C046B0063_58C92BE9C05875CA_6031_UN,O(C(=O)C2=C1C=CC(=CC1=CC=C2)F)CC3C4CCC#CCCC34,FZKVUEJCHMYFFT-UHFFFAOYSA-N
|
| 29696 |
+
359ECC0FC248B04E_1E5BC05B31FB8379_6039_UN,CCCCC1=C(C=CC=C1)OCC(NCC2=C([N](=O)=O)C=CC=C2)=O,DFVFXVLNBORDDU-UHFFFAOYSA-N
|
| 29697 |
+
35A1CC0F0D25A938_525C9FA157878C38_6035_UN,CC1=CC=C(C=C1)[S](=O)(=O)OCCOC2=C(C=CC(=N2)C)[N](=O)=O,HPAZXSRPPBHXLX-UHFFFAOYSA-N
|
| 29698 |
+
36F4C1BA25B64199_A979F725BEC2BDDA_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)NOC2=CC=C(C=C2)Br,ZDLBUBBFKSFCJM-UHFFFAOYSA-N
|
| 29699 |
+
3854CBB1E16EB78C_E06051B1F78B74F4_6041_UN,FC2=C1CCCC1=C(C=C2)NCC3(N(C)C)CCCCCC3,ASEXRSYMSGHMDN-UHFFFAOYSA-N
|
| 29700 |
+
38A4BDE2F7B45C15_6EED527F1D0EA1E9_6031_UN,O(C(=O)C2C[N]1C=CN=C1CNC2)CC(C)CCCN,AYUNUNLKVOFNCR-UHFFFAOYSA-N
|
| 29701 |
+
38F15B4BD0882002_E4B7FA3DE12F90DE_7019_UN,CC34CCC(C=C[C@@H]1C[C@H]1C2=CC=C(F)C=C2)(CC3)CO4,SPYABOXPKZRDFA-SVUBNXHSSA-N
|
| 29702 |
+
391633E5A3240647_00EC312109B8C805_6031_DP,N3CC(CC(=O)OCC12CC(CN)(OC1)CCC2)C4C3CCCN4,ZNVUQSZHOOOUKB-UHFFFAOYSA-N
|
| 29703 |
+
3A938BA15074267C_1223663D7D7C29E7_7022_UN,COC1=C(C(=C(C=C1)Br)F)OC2CC3(C2)CC4CCC3C4,BCWILYATDPJTPY-UHFFFAOYSA-N
|
| 29704 |
+
3FD8BB97CF911DB5_128C863734D1131C_6035_UN,COCCOC1=C(C=CC=N1)COC2=CC(=C(C(=C2)C)[N](=O)=O)C,MZYRKWLPFORYNK-UHFFFAOYSA-N
|
| 29705 |
+
455F142B24A18C2C_67DDB3B5929F4230_6031_UN,O(C(=O)C2=C1C=COC1=C(C=C2)F)CC3C4CCC#CCCC34,VYVNIAZEYDPBBG-UHFFFAOYSA-N
|
| 29706 |
+
4DA30045132829E3_8AEE80E9F25A90D5_6031_UN,O(C(=O)C2=C1OCCOC1=CC(=C2)Br)CC3C4CCC#CCCC34,MKPSEOHCJXCHHU-UHFFFAOYSA-N
|
| 29707 |
+
4E5D5502CE81A4A3_F2F3CA9C3639A7F3_7019_UN,C(C12CCC(CC1)CC2)=CC3=C[NH]C4=C3C=C(F)C=C4,RJIHJZMZPVDWMC-UHFFFAOYSA-N
|
| 29708 |
+
4E5E9D637D33CA76_3EA33F44E8AB82C3_6026_UN,CCOCCOC1=CC=C(C=C1)[S](=O)(=O)NC2=C(C)C=CC=C2[N](=O)=O,YPRAMAIYLCAHOP-UHFFFAOYSA-N
|
| 29709 |
+
4FB9CDFBC3DB8FEA_7F4EBACF26733949_6035_DP,N1CC5(C1)CC(OC2=CC4=C(C(=C2)C3=CC=C(C=C3)Br)OC(=O)S4)CO5,UANNURDQUOAAMK-UHFFFAOYSA-N
|
| 29710 |
+
51FA537369ACFB38_39A678DDA86E6802_6034_UN,C3CNCC1=C(N(C=C1)CC2(CN(C)C)CCCC2)C3,OPKGMUUISXEXIO-UHFFFAOYSA-N
|
| 29711 |
+
536B680FE3D7E195_34AAF89C91CF815F_6041_UN,C[Si](C)(C)C1=C(C=CC=C1)NC[C@@H]2CC[C@@H](O2)C3CC3,KNDGTEWODOPJCG-GOEBONIOSA-N
|
| 29712 |
+
54794E2235FA9695_0409869509D09B3B_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)N2C=CC(C(=C2C)C)=O)C)[N](=O)=O,WSSHKCXXAAUHRS-UHFFFAOYSA-N
|
| 29713 |
+
583E6C8D0F9CDF8C_911AC04ECB42A696_6003_UN,CCCC1=C(C=CC=C1)OC2=C(C=C([N](=O)=O)C(=C2)[S](=O)(=O)Cl)F,IVNYKRXTCWRYFU-UHFFFAOYSA-N
|
| 29714 |
+
597B9408F08EA2C6_6A6F83008ECABC29_7009_UN,CC(=O)NCC[S](=O)(=O)NC(=O)C1=C(C=CC(=C1)Br)I,JXZTXOUSDZINLZ-UHFFFAOYSA-N
|
| 29715 |
+
5AD907FE51B6F588_C48C5ADEAE5A1C26_7009_UN,N([S](=O)(=O)CC=C)C(=O)C1=CC(=C[NH]1)C(=O)C(F)(F)F,VWMMBDQCBQOAFM-UHFFFAOYSA-N
|
| 29716 |
+
5E321F98FD5B40DA_D6D7C27B49804F37_7009_UN,COC1=CC(=C(C=C1)[S](=O)(=O)NC(=O)CNC(=O)C=C)F,MSWUQKGFDFQPPU-UHFFFAOYSA-N
|
| 29717 |
+
5E7B657057944AD6_799EAC04134A45DC_6031_UN,O(C(=O)C1=C2C(=CC=C1)NCC2)CC3C4OCCOC34,JKUHDMGKOGHWDF-UHFFFAOYSA-N
|
| 29718 |
+
61EFD3A82524D704_C365E82497DD387F_6026_UN,CC1=C(C(=CC(=C1)Br)C)[S](=O)(=O)NO[S](C2=CC=C(C)C=C2)(=O)=O,XJQLUUFVAPHXSS-UHFFFAOYSA-N
|
| 29719 |
+
623364A505199141_E652F41D449D32A5_6026_UN,COC1=C(C=C(C(=C1)[S](=O)(=O)NN=C2C(N(C)C3=C2C=CC=C3)=O)Br)Cl,LDRVSVSSOLSDHW-UHFFFAOYSA-N
|
| 29720 |
+
62E7181AEC46D71D_33CA4D45A5B4941F_6035_UN,CC1=CC(=C(C=C1)COC2=C(C=NC(=C2C)C)[N](=O)=O)Cl,APQMGIPTPNHICF-UHFFFAOYSA-N
|
| 29721 |
+
633D0EC08DAFFB9E_243DDFC421D33494_6031_DP,N2CC(CC(=O)OCCC1(CN)CCOC1)C3C2CCCN3,AGTKARLMTPDQRJ-UHFFFAOYSA-N
|
| 29722 |
+
64234BE6D9C85C0A_4E2C48B844FE4840_6031_DP,N2C1CC1CCC2C(=O)OC[C@]3(CN)COC[C@@H]4CCCN34,ALOAOKVDYUGKER-BCYXYMIDSA-N
|
| 29723 |
+
64C69B13B4ED5F42_2CBBE81AD92F8D23_6031_UN,CSCCC1NC(CS1)C(=O)OCC2CNCC(C)O2,VHTDFXJXPHPUFO-UHFFFAOYSA-N
|
| 29724 |
+
666525B2AB9EDF4B_7C749CD46629725C_6041_UN,FC2=C1CCCC1=C(C=C2)NCC3(CN(C)C)CCCC3,NOSKULIELPVDLZ-UHFFFAOYSA-N
|
| 29725 |
+
678C61FA04C2754D_829633A95417B1F8_6041_UN,FC2=C1CCCC1=C(C=C2)NCC3N(C)CC4(CC3)CCC4,UKJGURJYUBXGJL-UHFFFAOYSA-N
|
| 29726 |
+
678E60B47E6BE436_7EF3EA51A0EF878F_7009_UN,CC(=C)C[S](=O)(=O)NC(=O)C(=O)C1=C(C=CC(=C1)F)F,GOPHUXPVXKAISX-UHFFFAOYSA-N
|
| 29727 |
+
6999FACE94A4A34C_8161AA0864A9DE21_6031_DP,NC12C3C4C1C5C2C3C45C(=O)OCCC6(N)CCNCC6,PHNDESJRWSKKGY-UHFFFAOYSA-N
|
| 29728 |
+
69C2AC27D08154D9_A00B5FA8AEAE0BE9_6041_UN,C[N]1N=C(C=C1NCC2(N(C)C)CCC2)C3CCCC3,GVXQHTZVLBGARC-UHFFFAOYSA-N
|
| 29729 |
+
6AB69B978559367A_A044451296D41E7E_6031_UN,O(C(=O)C2=C1C=CC(=CC1=CC=C2)Cl)CC3C4CCC#CCCC34,ANEBMUGZYKUZCY-UHFFFAOYSA-N
|
| 29730 |
+
70246C01DE272FA7_A3A3CD3C4DBE90DF_7019_UN,C(C1CCCCC2OC12)=CC3=CC(=C(N(C)C)C=C3)F,UEEOCODJPKRIHV-UHFFFAOYSA-N
|
| 29731 |
+
727BCB4F273257E1_0B7E16EAD0C68FAB_6031_DP,N3CC(CC(=O)OC[C@]1(CN)COC[C@@H]2CCCN12)C4C3CCCN4,UJZNZRPOBPHGDW-ZQKXDTOWSA-N
|
| 29732 |
+
7368F0841AD6466F_56A1D546348683B1_6026_UN,COCOC1=C(C=CC=C1)[S](=O)(=O)NC2=C(C)C=C(C=C2[N](=O)=O)Br,IBIFHPHXEXFEPL-UHFFFAOYSA-N
|
| 29733 |
+
7547CB4F7F975EDC_8610687102857F0A_6031_UN,COC(CC(=O)OC[C@H]2N[C@H]1CCC[C@H]1C2)C(F)(F)F,XGWHGOOJNXTHFH-KXBCIPKXSA-N
|
| 29734 |
+
76BA8A508FE85F05_1EA1707C4303250D_6035_UN,CCNC(=O)NCCCOC1=CC2=C(C(=C1)[N](=O)=O)C=CC=C2,LEKUKAGXFCNISF-UHFFFAOYSA-N
|
| 29735 |
+
78796030922736E1_62B64BD6C8C99A63_6041_UN,C[N]1N=C(C=C1NC2=CC(=C(C=C2)N3CCCC3)F)C4CCCC4,CASUULPAZDGWJS-UHFFFAOYSA-N
|
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