Added 60 molecules from epoch 15521 for P31645
Browse files- P31645_molecules.csv +60 -0
P31645_molecules.csv
CHANGED
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@@ -8092,3 +8092,63 @@ F8AFBB413A31414A_86DBDFB73FDA2828_7019_UN,C(C1=NN=N[N]1CC2CC2)=CC3=CC(=C(C=C3)OC
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| 8092 |
F98F2333EB959FFA_739E71A8931CD817_6038_UN,COC1=C(C=C(C=C1)C7(CNC(=O)C2CC23CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)CCCCC7)OC,BDDWAZZXWTYFGR-UHFFFAOYSA-N
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| 8093 |
FB2EA02B96A3E58A_6789C7EE2F67AE66_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC(=C(C)C=C2C)C,SKRTUEQTRQBQGD-UHFFFAOYSA-N
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| 8094 |
FB9E9B26143A2AA4_7C22B1C000C22DA2_6039_UN,CC(OCC1=NC(=NO1)C2CCCC2)C3=CC4=C(C=C3)OCC4,NTGWSBBFEBVWDF-UHFFFAOYSA-N
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| 8092 |
F98F2333EB959FFA_739E71A8931CD817_6038_UN,COC1=C(C=C(C=C1)C7(CNC(=O)C2CC23CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6)CCCCC7)OC,BDDWAZZXWTYFGR-UHFFFAOYSA-N
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| 8093 |
FB2EA02B96A3E58A_6789C7EE2F67AE66_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC(=C(C)C=C2C)C,SKRTUEQTRQBQGD-UHFFFAOYSA-N
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| 8094 |
FB9E9B26143A2AA4_7C22B1C000C22DA2_6039_UN,CC(OCC1=NC(=NO1)C2CCCC2)C3=CC4=C(C=C3)OCC4,NTGWSBBFEBVWDF-UHFFFAOYSA-N
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| 8095 |
+
02EE2F8F7F42C5D3_AA55DAA0DC54F7C2_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N[C@@H]2C3=C(CCC2)C(=CC=C3)[N](=O)=O)C#N,YYHIPOZXBOHICW-INIZCTEOSA-N
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| 8096 |
+
0332F1876DA3F5EA_5168C44CDC7358AD_6041_UN,CN4CCC1=C(C=CC=C1NC2=C3C(=CC=C2)OCO3)C4,HLJZNXLCAHQQMU-UHFFFAOYSA-N
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| 8097 |
+
0392F99A608FF048_CC945F8182FC8F07_6031_UN,O(C(=O)C1NCCCNC1)CCC2=CC3=C(C=C2)C=CC=C3,DAYBGKWRDHQBCX-UHFFFAOYSA-N
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| 8098 |
+
04A3E5B4DA080357_A16FD26C8580D3F0_6041_UN,C2(=C1COCCC1=CC=C2)NC3=C(CN(C)C)C=CC=C3,UIXJGIYGYGSYNQ-UHFFFAOYSA-N
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| 8099 |
+
05A620FDE3CD0FBE_07F1C16AC3FDF57E_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC(C2=N[N](C)C=C2)(C)C)C#N,OHJZLUURNSAFLC-UHFFFAOYSA-N
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| 8100 |
+
0FEB1E69B395562A_6DD6A70DB4FE9C1E_6041_UN,CC(C)CC1=CC=C(S1)NC2=C(OC)C=C(C=C2)[N](=O)=O,ZEMOBPALVKGVFF-UHFFFAOYSA-N
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| 8101 |
+
11B287366F74E2F5_C8F50AADC9CA357F_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N(C)C2=CC(=CC=C2)[N]3C=CC=C3)C#N,PZMGLLYGDGGNTR-UHFFFAOYSA-N
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| 8102 |
+
135B5D8B33716D24_A7AE02D81F7E1825_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N[C@@H]3CC[C@@H](C2=NC(=NO2)C)CC3)C#N,SPWZXAFSFMWKLP-AULYBMBSSA-N
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| 8103 |
+
153E57B4043437D4_8EEA793EB2B5C52A_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N(C)C2(CC2)C(=O)OC)C#N,MZOJMUHKRGJGHE-UHFFFAOYSA-N
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| 8104 |
+
2688C862CA18BB9E_86AAEEA0949D569B_6041_UN,CN1CCC[C@H]1C2=C(N=CC=C2)NC4=C3CCOC3=CC=C4,JFUNXRXBYUFYTB-INIZCTEOSA-N
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| 8105 |
+
3046DFD7B8319A7A_EA3E190121ABB356_6038_DP,N(C1=C2C(=CC=C1)C=C(C=C2)F)C([C@@H]3CC4(CN3)CC4)=O,NPXOOTRBOYAJSM-HNNXBMFYSA-N
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| 8106 |
+
42EE6E9AA6D96144_83EDDB4E0AD9D95A_6029_UN,COC1=CC4=C(C=C1)C=C(CN[S](C2=CC3=C(C=C2)OCC3)(=O)=O)C=C4,STWMSRUFQRPIIZ-UHFFFAOYSA-N
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| 8107 |
+
43E64F0C017CB135_C82D3B7AFF00E742_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N2C3CCC2CC(=C)C3)Br,KOHUPVZSLFUTSW-UHFFFAOYSA-N
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| 8108 |
+
440388EC3D0D5D23_BBC6C26FA4E7A0A9_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC2=C[N](C)N=C2OCC(F)(F)F)C#N,ZYHUNPAMLBOEKS-UHFFFAOYSA-N
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| 8109 |
+
4B099A5DFB328313_959E1FE2C5F1FD37_7022_UN,CN1CCC2=C1C=CC(=C2)NCC3=CC4=C(C=C3)OCCCO4,UGVCOFYGUZRPLV-UHFFFAOYSA-N
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| 8110 |
+
4BB1E772B692AFC4_8D4829188F89F8C7_6039_UN,COC1=C(C=C(C=C1)C3CC(OCC2=C(C)C=CC(=C2)[S](=O)(=O)Cl)C3)OC,XKANHWMXBBQWIF-UHFFFAOYSA-N
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| 8111 |
+
5192E6BB9FD27524_0A2943536BFC175F_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC2CCCN(CC2)C3=CC=CC=C3)C#N,FJNLBAGJUAGSFY-UHFFFAOYSA-N
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| 8112 |
+
6531B10FE4A69EDD_1DAC7FD9C81E53B7_6029_UN,N(C12CCC(CC1)(F)C2)[S](C3=CC=CC(=C3CBr)CBr)(=O)=O,LBWZRQCTBZDTOI-UHFFFAOYSA-N
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| 8113 |
+
67527CD52C93369B_1FF472C00102480A_6031_DP,O(C(=O)CC1=C[NH]C2=C1C=CC(=C2)Cl)CC4=CC3CCC(N3)C4,XBEUFRQHLNWXQK-UHFFFAOYSA-N
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| 8114 |
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6783BD9F42794DAE_9CDE7C55CF0177E6_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC3(CC2=CC(=CC=C2)Br)CC3)C#N,YDCFQVBBTNHMIZ-UHFFFAOYSA-N
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| 8115 |
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6A0232B073384529_77DEBC5D86D889FF_7022_UN,C1(=CC(=C(C=C1)F)[N](=O)=O)NCC2=CC(=CC(=C2)OC)C,MQLVCXYNLRXDDW-UHFFFAOYSA-N
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| 8116 |
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6A9BD23E413CFD56_3C364E1F38B3515F_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCC2=CC(=CC(=C2)OC)C,GJZGVCIHKKSATO-UHFFFAOYSA-N
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| 8117 |
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6D187E999A6A58A0_71C955C984E7F8ED_7019_UN,COC1=C(C=C(C=C1)C=CC2=C3C(=CC=C2)CCCN3)[N](=O)=O,YZBDQDYSPYQHKF-UHFFFAOYSA-N
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| 8118 |
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6D187E999A6A58A0_DB76EA3492676595_7019_UN,COC1=C(C=C(C=C1)C=CC2=C3C(=CC=C2)CCCN3)[N](=O)=O,YZBDQDYSPYQHKF-UHFFFAOYSA-N
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| 8119 |
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71733531941D7A8E_AD0ECB23147CCA8B_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N[C@H](C(OC)=O)C2=CC=CC=C2)C#N,DVIZSFHVDPQHSW-HNNXBMFYSA-N
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| 8120 |
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7ACF1A1DD3F496FC_630A234CBEF78B17_6041_UN,NOCC1=CC=C(C=C1)NCC3(C2=CC=CC(=C2)OC)CC3,PMPBFMLSZVJIEY-UHFFFAOYSA-N
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| 8121 |
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7BF53540659DFE88_C4C91DA4AD194F06_6004_UN,CNC1=C(C=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)[N](=O)=O,RBIBELXJDBOIBW-UHFFFAOYSA-N
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| 8122 |
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7BF53540659DFE88_E27E26392C0A5993_6005_UN,CNC1=C(C=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)[N](=O)=O,RBIBELXJDBOIBW-UHFFFAOYSA-N
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| 8123 |
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7DE8D2E955E6254B_6BD9215E1CCABE33_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC[C@]2(C[C@H](F)C2)C3=CC=CC=C3)C#N,NAZWXSFCGRPYNZ-RHNCMZPLSA-N
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| 8124 |
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7E600E69DB57D6DC_C41085D774A7F53A_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC2(CCOCC2)C3CCCO3)C#N,YNDQQXSIARSGBS-UHFFFAOYSA-N
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| 8125 |
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825A5E4C4BDBB665_FFCA12A81D6E8CF0_6038_DP,N1C2CCCC(C1)C2CNC(=O)CC3=CC(=C(C=C3)Br)Cl,CNZKDVPPPATCDA-UHFFFAOYSA-N
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| 8126 |
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84984D72D1E40707_9BA35B224BE369EA_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NCC2=C(N(C)C)[N](N=C2C)C)C#N,AHGMPRKLBYIMKR-UHFFFAOYSA-N
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| 8127 |
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85CDA0E53EAF8FF3_BA17F8D2D0FB5640_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)N2CCCC(C(O)=O)(C)C2)C#N,QPLHIAQWWQVIFY-UHFFFAOYSA-N
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| 8128 |
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8D46F1AE35E5FDE0_5894A6B24C1FD9A2_6035_UN,COC1=C(C=C(C=C1)C4CC(OC3=C2C=CC=C(C2=CC=C3)[S](=O)(=O)O)C4)F,FPTBEIBQHWECPC-UHFFFAOYSA-N
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| 8129 |
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9395C92922E1370F_664FFDC6961E7B11_6038_UN,N(C1=CC2=C(C=C1)OC=C2)C(C3(CN(C)C)CCCC3)=O,PVGLOKRNFHRDBO-UHFFFAOYSA-N
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| 8130 |
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9A345B39B936EFD9_F9D373E87BEE8963_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=CC(=C(C(O)=O)C=C4)I)(=O)=O,MSUYXNXXWFMSDC-UHFFFAOYSA-N
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| 8131 |
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9CF5DD69A3287629_6B48B9622C3AD29C_6041_UN,NC(=O)NC1=CC(=C(C=C1)F)NC2=CC3=C(C=C2)COCC3,GWMAJXQFOLNSNH-UHFFFAOYSA-N
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| 8132 |
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9E6EB083F98CF94D_0024CED16BD11A83_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)N3C4=C(OC2(CC2)C3)C=CC=C4)C#N,LQPCAGXYYYODNG-UHFFFAOYSA-N
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| 8133 |
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A1CD2CA47C72E0BF_FC9518AE5CB26A4C_6026_DP,FC1=C(C=CC(=C1)[S](=O)(=O)NC(C2CCNCC2)(C)C)C#N,NONTZXOIBPLKPL-UHFFFAOYSA-N
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| 8134 |
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A312C42E0BE40C58_AD4A6A73F6BB24FE_7022_UN,CN(C)CC1=C(C=CC(=C1)NC3=C2OCCC2=CC=C3)F,DBRSCINWSQHYEW-UHFFFAOYSA-N
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| 8135 |
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A503820A479C9AF7_D54FC2BFDE40CC04_7019_UN,COC1=C(C=CC(=C1)C=CC2=C3C(=CC=C2)CCCN3)[N](=O)=O,CACALDLDUUVYIR-UHFFFAOYSA-N
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| 8136 |
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A98DAADA585666D1_59B302216BFA3FE9_6041_UN,C1(=CC(=CC=C1)C2OCCCO2)NC3=C(N(C)C)C=CC(=C3)F,ARCHIEFYZKUHKX-UHFFFAOYSA-N
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| 8137 |
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A9AA078EF5DB501A_16A6B13FDC413B04_6041_UN,NC(=O)NC1=CC(=C(C=C1)F)NC2=CC3=C(C=C2)CCC3,XESRTFAJFLWUJP-UHFFFAOYSA-N
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| 8138 |
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AF7431A5C19FB9C0_38672D303D0472E1_6038_DP,N(CC1=C2C(=CC=C1)C=C[NH]2)C(C3=COC4=C3CNC4)=O,SKKCVPUSFKNZHW-UHFFFAOYSA-N
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| 8139 |
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AFAC94544DB0173B_9CAEA5FBE81346B8_6026_UN,CN(C)CC1=CC=C(C=C1)[S](=O)(=O)NC2=C(CC)C=CC=C2OC,NXEHXYFACYVYNH-UHFFFAOYSA-N
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| 8140 |
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| 8141 |
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B3D79FF9DAE9E6C2_7597CEBE50BF0A45_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC(CC)(C)C2=NC=CC=N2)C#N,DONQZGOXZXAIMJ-UHFFFAOYSA-N
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| 8142 |
+
BFF61DC9559F4C35_5138D71F56AA4102_7022_UN,C2(=C1OCCC1=CC=C2)NC4=CC3=C(CCCN(C)C3)C=C4,AOOIBEQHKALDOS-UHFFFAOYSA-N
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| 8143 |
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C4F657BF3E22C74E_183FFEEDA8213E5E_6041_UN,CC1=CC(=C(C=C1)NCC3=CC2=C(C=C(OC)C=C2)C=C3)[N](=O)=O,GNGCUPLVMPMHIC-UHFFFAOYSA-N
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| 8144 |
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C4F657BF3E22C74E_9028ECC4C1F7E7FC_6041_UN,CC1=CC(=C(C=C1)NCC3=CC2=C(C=C(OC)C=C2)C=C3)[N](=O)=O,GNGCUPLVMPMHIC-UHFFFAOYSA-N
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| 8145 |
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C7319966DECA0F33_93487B917786EFF6_6029_UN,N(C12CCC(CC1)(F)C2)[S](C3=CC(=C(C(O)=O)C=C3)I)(=O)=O,KOKIUGNPCNEHBE-UHFFFAOYSA-N
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| 8146 |
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CC7A519D2CD31BE5_5BEFFB19429B34AF_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2C3=C(CCC2C(C)C)C=CC=C3,OYARRHMPUYVSAZ-UHFFFAOYSA-N
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| 8147 |
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CD4ACDC0F5AAAD4B_740BB8065CA358A9_6035_DP,N1CC4(C1)OC5(COC3=C2C=C[NH]C2=CC=C3)CC4(N)C5,TUVBNBYERSSSCW-UHFFFAOYSA-N
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| 8148 |
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D5196A80E70DB448_B1C9F22589565841_6029_UN,C1CC4(N1[S](C2=C(CC)C=CC=C2Cl)(=O)=O)C3CC5CC(C3)CC4C5,CNNWWQBKZNMPOM-UHFFFAOYSA-N
|
| 8149 |
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DD46479B9EB5B0CA_4C591F73883E4B48_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC2=CC3=C(C=C2)CCOC3=O)C#N,YLMIPVHNYRUYNP-UHFFFAOYSA-N
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| 8150 |
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EDCAEFE4C817358E_00B0F630A6945B77_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NC3=CC2=C([N](C)C=C2)C=C3)C#N,OYVAFFFXBCLKJN-UHFFFAOYSA-N
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| 8151 |
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| 8152 |
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F7CABF1810A708EA_EE01B1E32C831097_6041_UN,C1(=CC=C(C=C1)C2OCCO2)NC3=C(N(C)C)C=CC(=C3)F,UAPLZFICGMEJQQ-UHFFFAOYSA-N
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| 8153 |
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| 8154 |
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FE0A516A80E71112_45CF6F750B99EDCC_6041_UN,CN4CCC1=C(N=C(S1)NC2=C3C(=CC=C2)OC=C3)C4,AKGBRTNARIPROX-UHFFFAOYSA-N
|