Added 228 molecules from epoch 15592 for P23975
Browse files- P23975_molecules.csv +228 -0
P23975_molecules.csv
CHANGED
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@@ -14809,3 +14809,231 @@ F81EFCB3C7D0008B_334DD4CA38203C1B_6026_UN,CC1=NC=C([N]1C)[S](=O)(=O)NC3=CN=C(OC2
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| 14809 |
F8F73A007AA6A4B3_EC3BEA11F147B0DE_6039_UN,O(CC1(CC=C)CCOCC1)CC2OCC3CCOC23,KECXEKOHNRRSDH-UHFFFAOYSA-N
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| 14810 |
FB17A452F31963FD_F76319086598BE7E_6026_UN,CCN1C(=O)OC2=C1C=CC(=C2)[S](=O)(=O)NC4=C3OCCC3=CC=C4,PJGDKYPXFCXQCL-UHFFFAOYSA-N
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| 14811 |
FF5C58B102AD3DC6_3AC1363FB6053C71_6043_UN,CN1C(=O)NC2=C1C=C(C=C2)N[S](=O)(=O)C3=CC4=C(C=C3)OCCCO4,IIGLIDDTCVQRHU-UHFFFAOYSA-N
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| 14809 |
F8F73A007AA6A4B3_EC3BEA11F147B0DE_6039_UN,O(CC1(CC=C)CCOCC1)CC2OCC3CCOC23,KECXEKOHNRRSDH-UHFFFAOYSA-N
|
| 14810 |
FB17A452F31963FD_F76319086598BE7E_6026_UN,CCN1C(=O)OC2=C1C=CC(=C2)[S](=O)(=O)NC4=C3OCCC3=CC=C4,PJGDKYPXFCXQCL-UHFFFAOYSA-N
|
| 14811 |
FF5C58B102AD3DC6_3AC1363FB6053C71_6043_UN,CN1C(=O)NC2=C1C=C(C=C2)N[S](=O)(=O)C3=CC4=C(C=C3)OCCCO4,IIGLIDDTCVQRHU-UHFFFAOYSA-N
|
| 14812 |
+
00318096D62C9B53_7641612BED1F2F2C_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2(CC2)C3CCCCC3,NCNPUHIUWKCARW-UHFFFAOYSA-N
|
| 14813 |
+
003FCD97FBFC80C5_7878BFF818EFD81B_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=CC=CC(N2C)=O)=O,PNXGEBWMLUTJIP-UHFFFAOYSA-N
|
| 14814 |
+
00E808B3B0456AFB_83DE822F4620FE36_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2=CC(=CN=C2)C3=NC=CC=C3,MOACPZDBPKSFSJ-UHFFFAOYSA-N
|
| 14815 |
+
00F32B3AB5810CE0_48B1B89074B89DE7_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)CCCCCC2=CC=CC=C2,JCUGQIZOEWSVMM-UHFFFAOYSA-N
|
| 14816 |
+
012E446F4E368FD0_98667FB7FBD6535A_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2=CC3=C(N=C2)C=CC(=C3)F,XOMXVNDDKRNGTA-UHFFFAOYSA-N
|
| 14817 |
+
0182C136205EF4A5_7326FCE2B0618A19_6029_UN,CC1=C(C=CS1)CN[S](C2=C(C=C(N(C)C)C=C2)[S](=O)(=O)Cl)(=O)=O,ZDGHQLGFXBWDQJ-UHFFFAOYSA-N
|
| 14818 |
+
025BE6488DC6C3A0_A3187B3F4071FB83_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2(N(C)C)CCCSC2)=O,UPKIXIKQBFMXDU-UHFFFAOYSA-N
|
| 14819 |
+
03EEE5B1104EBA49_E8402CF92E0F1B08_6031_UN,O(C(=O)[C@@H]1CCO[C@@H](C1)C(F)(F)F)CC2=CCNCC2,ODGSYVDWHJZMFD-MNOVXSKESA-N
|
| 14820 |
+
0488BD13E9BBB97C_8BB21C6C44D6D935_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=C(OC)C=CC(=C2)[S](=O)(=O)C)=O,AIXVXUGYMWQWNX-UHFFFAOYSA-N
|
| 14821 |
+
082313D3899F4C44_5F288B2CC640A1C9_6031_DP,O(C(=O)[C@H](N)C1CCC(F)(F)CC1)CC2CNCCCN2,VUMSSBKBOBKDLP-PIJUOVFKSA-N
|
| 14822 |
+
0989A0447EB123E5_85D89957B2B144F9_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C(C(C)C)C2=CC=C(C=C2)F)=O,AQYQUEISRFPRLP-UHFFFAOYSA-N
|
| 14823 |
+
0AD2BD10018DA21E_6F29541481DABA20_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NC3=CC(=C(C)C=C3)F,AMOSMCCXYFJCJE-UHFFFAOYSA-N
|
| 14824 |
+
0AFD00D7781A51F4_26EAE40C69BE0B9F_7009_UN,CC[S](=O)(=O)NC(C2=C([N]1C(=CC=C1C)C)SC=C2)=O,ZFUGPUFSBZMZOV-UHFFFAOYSA-N
|
| 14825 |
+
0C6F90C77E2F78DE_CFDE5DE275BA23FE_6038_DP,N3CC(OC(=O)C1=C(C=CC(=C1)N2CCOC2=O)F)C(=C)C3,DWBMHMQVEVMQIN-UHFFFAOYSA-N
|
| 14826 |
+
0C8B3ABCBC531985_1A0905CED16AD343_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C(C2=CC=C(CC(C)C)C=C2)C)=O,YPIIKVPQXAUKIM-UHFFFAOYSA-N
|
| 14827 |
+
0E418FCACA1FE399_4D4EF1D0E9C8D70D_6035_UN,CCC1CCCCC1OC2=CC(=CC(=N2)C)C(F)(F)F,RFCZWDAEMOUCER-UHFFFAOYSA-N
|
| 14828 |
+
0F3DBB1477B6170B_35664D94A92BE3F4_6039_DP,COCCC3(COC[C@@H]1CNCC(O1)(C)C)CC2OC2C3,LJPHSQISDPBZTG-BAYAOMGESA-N
|
| 14829 |
+
0F60724D196EB9EA_8F58239E39E5B0C7_6031_DP,O(C(=O)C1(CCl)CCCCC1)CC2C(CCNCC2)N,HDYUDZHAXOJFMN-UHFFFAOYSA-N
|
| 14830 |
+
1555B5A280749210_2D197147F94B97B8_6036_UN,C(C1(COCCN1)C2=CC=CC=C2)N4C(C3=C(C=C(N)C=C3)[S]4(=O)=O)=O,KQOBOEUVXPGWDP-UHFFFAOYSA-N
|
| 14831 |
+
16378349F5F9CFF9_331E0397C2AB9593_7022_DP,CN(C)CC1=C(C=CC(=C1)NC23CCCNCC2C3)F,OWUAGLKWEJJUBL-UHFFFAOYSA-N
|
| 14832 |
+
16378349F5F9CFF9_BED443E306B1642C_6041_DP,CN(C)CC1=C(C=CC(=C1)NC23CCCNCC2C3)F,OWUAGLKWEJJUBL-UHFFFAOYSA-N
|
| 14833 |
+
166E9920699F8D9A_49E12996CEDAB10A_6029_UN,CN(C1=C(C=C(C=C1)Cl)F)[S](C2=C(SC=C2)N=C=O)(=O)=O,MCADGJGAGCDEPX-UHFFFAOYSA-N
|
| 14834 |
+
16A4B6E15FB5C18A_7C0605826E7B6A2E_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=C(CC)[N](N=C2)CC(C)C)=O,LBXQDXOTKJXWLS-UHFFFAOYSA-N
|
| 14835 |
+
17E25B71E36B5B49_DDB46457D067779E_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)CSC2=NC3=C(N=C2)C=CC=C3,LUZIWQXFRNIMJD-UHFFFAOYSA-N
|
| 14836 |
+
181BD0582885DA51_D5D35C9F41A14374_6034_UN,O=C(N1CCCNCC1)C2=CC=CN2CC3(CNCC3)F,DGHNUCBCLRMCRD-UHFFFAOYSA-N
|
| 14837 |
+
1A1843A274DC0CDA_0E95DCE679BDEBD8_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)CCCCCC#CC#C,HXJWGHHWCJQSQR-UHFFFAOYSA-N
|
| 14838 |
+
1C61D0D1687459BB_85B71352C447785F_6039_DP,CC[C@H](OCC2OCC1(CNC1)C2)C3=CC=C(C=C3)F,FEUWLGKZFVHYIW-LOACHALJSA-N
|
| 14839 |
+
1C85800C7B2CD17D_4A3AC3867178C655_6038_UN,O(CC[S](F)(F)(F)(F)F)C([C@@]12CCC[C@]1(OC)OCC2)=O,QNYSAXVUOPZXSN-QWRGUYRKSA-N
|
| 14840 |
+
1D165CC6AD853B39_FF1044EB70CDA1F7_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC2=C(C)C=NC=C2Cl)C)[N](=O)=O,HADXOVLTKMEKLG-UHFFFAOYSA-N
|
| 14841 |
+
1D507FB9BE2F3045_8B60927D071368C1_6038_UN,O(CC[S](F)(F)(F)(F)F)C(=O)C2CCOC1(CCCC1)C2,JLRAQQLHTQMSNE-UHFFFAOYSA-N
|
| 14842 |
+
1E197175FFA92D56_4D0BAC6A1D4C9A94_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=C(C)C=C(C(=C2)[S](=O)(=O)Cl)F)=O,KGDOSPFCOBNDSU-UHFFFAOYSA-N
|
| 14843 |
+
1E30437B70617995_FEFC2B04C204D59D_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=C(C)[N](N=C2)C3CCCCC3)=O,XQYNMFUPQHSFDD-UHFFFAOYSA-N
|
| 14844 |
+
1F53F46D69822969_039171345EBFF420_6029_UN,CC1=N[N](C(=C1[S](=O)(=O)O)C)[S](C3=CC=C(OC2=CC=C(OC)C=C2)C=C3)(=O)=O,ZCCNYWRJHMHVGH-UHFFFAOYSA-N
|
| 14845 |
+
20D2F27B6F03027B_FAB4BC9D80F65FE2_6041_DP,CC1=C[NH]C2=C1C=CC(=C2)NCC3(COCCNC3)F,VJDJEQUDKQPUSB-UHFFFAOYSA-N
|
| 14846 |
+
233D71E8AB999851_A5521BAA20D07CC6_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C3=CN=C2C=CC(=CN2C3=O)Cl,VFTIZNYYPIVTDS-UHFFFAOYSA-N
|
| 14847 |
+
2568928957F2BF1F_E5CE4A01775ED54C_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C23CCN(CC2)CC3,DDPSAPFDYZSGNU-UHFFFAOYSA-N
|
| 14848 |
+
25EB8084CD81BFE6_E50C72C7B0EE346C_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NC3=CC=CC(=C3SC)F,PNECNNQVYJOQQT-UHFFFAOYSA-N
|
| 14849 |
+
26E0917BA4FB6491_48F36D5DF7C7D26F_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NCC2=CSC(=C2)C)C)[N](=O)=O,PFHVOPHLFMIYSJ-UHFFFAOYSA-N
|
| 14850 |
+
270C67149FC1295A_F68AECF30E3B345E_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2=CC=C(C=C2)CC3=NN=C[NH]3,UPAIWJZGBUYLLD-UHFFFAOYSA-N
|
| 14851 |
+
2713A56AABCAFE45_3E5999FDA37FA030_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2=CN=C(S2)C3CCCO3,FRNLXVCIIYWZAD-UHFFFAOYSA-N
|
| 14852 |
+
2A64617CCE08C0C6_13BCF69C4D0656AA_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NC3=C(C=CC(=C3)C)F,LZNXPYWLHHEALE-UHFFFAOYSA-N
|
| 14853 |
+
2BDCDA59D8C879F5_E402EFFF77A7E5F4_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)CC(C=C)C2=CC=CC=C2,KRYRAABLSZMMDF-UHFFFAOYSA-N
|
| 14854 |
+
2CF28368700DB88F_54ACD94C3B6C864D_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C3=CC2=C(N=N[N]2C)C=C3)=O,SWUHYKUYMDQWLC-UHFFFAOYSA-N
|
| 14855 |
+
2D28B64CC3B588EA_C12B1EF81A122646_6041_DP,FC2=C1C=CC=CC1=CC(=N2)NCC3(OCCNC3)C,NSYIZTWZOKIYAT-UHFFFAOYSA-N
|
| 14856 |
+
2F701F43A8EC75CD_5DE3FD27BA4DB178_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(CC2=C(C(N)=O)C=CC=C2)=O,LOGAMFLRSPZTGX-UHFFFAOYSA-N
|
| 14857 |
+
315A95732120D089_BB2E13B3FF211C0B_6031_DP,CSCCC(N)C(=O)OCC1CNCC12CCNCC2,XFFCYOASSIPIOE-UHFFFAOYSA-N
|
| 14858 |
+
32323FEA403884ED_44362620CB9814AF_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=CC=C(OCCCC)C=C2)=O,CSYQGOIXLBPILV-UHFFFAOYSA-N
|
| 14859 |
+
34E1CCE11AB13A16_5C75BEF4C0B59DF2_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC([C@H]2N(C)C(CC2)=O)=O,FUEMMTOWTNLFGN-ZDUSSCGKSA-N
|
| 14860 |
+
34FD0875C390E467_492C4A2CDDDFD9E2_6035_UN,COCCC3(COC1=C(C(=CC=N1)Br)Cl)CC2OC2C3,JVEQIZCFWAGMCH-UHFFFAOYSA-N
|
| 14861 |
+
364ACAB566269486_9BE3B993C2A6CAEA_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(=O)C2CCCCC2,DVLVMBCZJIVPDD-UHFFFAOYSA-N
|
| 14862 |
+
38B7AD9CAEB0CA68_3AB8DC070BB4E40D_6026_UN,CC1=C(C(=C(C=C1)C)[S](=O)(=O)N[S](=O)(=O)CC=C)[N](=O)=O,XDCZVRPVWITTQJ-UHFFFAOYSA-N
|
| 14863 |
+
39D66C799992564C_519B83495A48A723_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2CN3CCN2C(C)C3)=O,VYSVUALFLSCISS-UHFFFAOYSA-N
|
| 14864 |
+
3AD5DEDD2A533E40_BEBEF516ADCD25A3_6039_DP,COCCC4(COCC1OCCC12CNC2)CC3OC3C4,LVYQLBTZGZCXCA-UHFFFAOYSA-N
|
| 14865 |
+
3C73701B2A1BB18E_E839BCDD0F63EFF6_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2=CSC(=N2)C3=CC=C(C)[N]3C)=O,XZUASDBRCYWHGU-UHFFFAOYSA-N
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