Added 168 molecules from epoch 15619 for P23975
Browse files- P23975_molecules.csv +168 -0
P23975_molecules.csv
CHANGED
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@@ -21060,3 +21060,171 @@ F79D69AC140F505B_5B2C9935827C04F3_6004_UN,NC1=C(C=NC(=C1)C2=CC3=C(C=C2)OC4=C3C=C
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| 21060 |
FA7AA7E976A82867_886B3FEA5908DF3E_6041_UN,C[N]1C=C(C=N1)C2=C(C=CC=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,SYPPDAOZEAUZTO-UHFFFAOYSA-N
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| 21061 |
FE522612D1472152_C238203EFBF7044E_6006_UN,CC2=CC(=C1OCC(C1=C2)=O)C3=CN=C(C=C3)[N](=O)=O,INKAHUMRGRFSOZ-UHFFFAOYSA-N
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| 21062 |
FE522612D1472152_CDA33297B1CBDA1D_6004_UN,CC2=CC(=C1OCC(C1=C2)=O)C3=CN=C(C=C3)[N](=O)=O,INKAHUMRGRFSOZ-UHFFFAOYSA-N
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| 21060 |
FA7AA7E976A82867_886B3FEA5908DF3E_6041_UN,C[N]1C=C(C=N1)C2=C(C=CC=C2)NC4=C(C=C3OCOC3=C4)[N](=O)=O,SYPPDAOZEAUZTO-UHFFFAOYSA-N
|
| 21061 |
FE522612D1472152_C238203EFBF7044E_6006_UN,CC2=CC(=C1OCC(C1=C2)=O)C3=CN=C(C=C3)[N](=O)=O,INKAHUMRGRFSOZ-UHFFFAOYSA-N
|
| 21062 |
FE522612D1472152_CDA33297B1CBDA1D_6004_UN,CC2=CC(=C1OCC(C1=C2)=O)C3=CN=C(C=C3)[N](=O)=O,INKAHUMRGRFSOZ-UHFFFAOYSA-N
|
| 21063 |
+
00CE360EFCCF111D_478511BC0CB708B8_6041_UN,FC1=CC4=C(C(=C1)NC2CN(C)C3(C2)CCC3)C=NC=C4,ZYXGYYBUEIARBS-UHFFFAOYSA-N
|
| 21064 |
+
00CE360EFCCF111D_BD92F8A882705D90_6041_UN,FC1=CC4=C(C(=C1)NC2CN(C)C3(C2)CCC3)C=NC=C4,ZYXGYYBUEIARBS-UHFFFAOYSA-N
|
| 21065 |
+
0720A4E172206575_AEC3D6948C0030B8_6039_UN,O([C@@H]1CCCSC2=C1C=CC=C2)CC3=CC=C([Si](C)(C)C)C=C3,FRAULNLZEIFFLM-LJQANCHMSA-N
|
| 21066 |
+
0833500DFF8446BD_0350979B48B10A97_6041_UN,C2(=C1OCCC1=CC=C2)NC4=CC3=C([N](C)C=C3)C=C4,MDUYJIJEYUUEBG-UHFFFAOYSA-N
|
| 21067 |
+
0833500DFF8446BD_986CD7484B1F1A98_7022_UN,C2(=C1OCCC1=CC=C2)NC4=CC3=C([N](C)C=C3)C=C4,MDUYJIJEYUUEBG-UHFFFAOYSA-N
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| 21068 |
+
102C65FEB30E28E0_1F5B7A1D88DE30A5_6038_UN,O(C1=C(C(=CC=C1)F)I)C(C2=CC(=C[N]2CC)[S](=O)(=O)Cl)=O,YQRVYBAWFZHJPS-UHFFFAOYSA-N
|
| 21069 |
+
105CAD2A1E8FF8D4_59B41113F3A8715A_7022_DP,[NH]1C=CC=C1NC[C@@H]2CCCN(C)[C@H]2C3=CC=CC=C3,OIJTYPYURWFCOR-RDJZCZTQSA-N
|
| 21070 |
+
105CAD2A1E8FF8D4_70C26D5BB5E8C797_6041_DP,[NH]1C=CC=C1NC[C@@H]2CCCN(C)[C@H]2C3=CC=CC=C3,OIJTYPYURWFCOR-RDJZCZTQSA-N
|
| 21071 |
+
10FD189EEE239100_6D4D21617ABE1CAC_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)NC[C@@]23[C@@H](CCC2)OCC3,RXEVGZCUUHQMCK-IAGOWNOFSA-N
|
| 21072 |
+
11D2C0C6F5C270C5_02ED973B31A99150_6041_UN,C1(=CC=C(C=C1)C2=CCCCC2)N[C@@H]3COC[C@H]3N(C)C,ZWXKXPSCAGGLPN-QZTJIDSGSA-N
|
| 21073 |
+
12CE176B7F419BDF_003DC3FBA10E4F3F_6031_UN,NCC(CC(=O)OCC1CNCC12COC2)C(F)(F)F,BHXHUBIJDOTEHL-UHFFFAOYSA-N
|
| 21074 |
+
1404A20904EB91FC_86CC15B41288B549_6039_UN,C[C@H](OCC(OC)C1CCOC1)C2=C(C=C(C=C2F)F)F,FSOAIIQPJMLCAE-IPWFMCSPSA-N
|
| 21075 |
+
1488C0D6E97EB977_289D899CF11F8500_6041_UN,C1(=CC2=C(C=C1)SN=N2)NC3=CC=CC4=C3CN(C)C4,RYIXFDUHHUJTLU-UHFFFAOYSA-N
|
| 21076 |
+
148C8C4B8A1671B4_CB2412B7CBDF5C77_7019_UN,COCC3(C=CCCC1=CC(=C(C=C1)Cl)F)CC2OC2C3,LLUFRHOEJHISRI-UHFFFAOYSA-N
|
| 21077 |
+
17557CA143F97EC3_B4EB986BDC4C9E4A_6029_UN,N([S](=O)(=O)C1=C(C=C(C=C1)Cl)O)[S](C2=CC(=C(C=C2)N=C=O)C#N)(=O)=O,SSZXPIKSXDQXPP-UHFFFAOYSA-N
|
| 21078 |
+
1CFC843D94428908_A85D05BBDFBCD729_7022_UN,C2(=C1OCCC1=CC=C2)NC3=CC=C(CN(C)C)C=C3,GCQPJTYTJSJGPW-UHFFFAOYSA-N
|
| 21079 |
+
1FCDA0D96B5931B5_04711C00FE37D5B5_6035_UN,CN(C)[C@@H]1CNC[C@H]1OC3=C(C=C2C=CC=CC2=C3)Br,DNKUOUXPTMUELI-GDBMZVCRSA-N
|
| 21080 |
+
20A5EE6D5CA1B066_8F0B49521D5610A0_6031_UN,O(C(=O)C2(CC1=CC=CC=C1)CCC2)CC3CCCCC3C(F)(F)F,ISQSTJBOBSXACQ-UHFFFAOYSA-N
|
| 21081 |
+
212D59156D5726E8_8DCB20ECE7F68AA9_6041_UN,CN4CCC1=C(N=C(S1)NC2=CC3=C(C=C2)C=CS3)C4,VYIWAKGFAXAOJC-UHFFFAOYSA-N
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| 21082 |
+
21FAB35C73D527C2_E333374213598F94_7022_UN,C2(=C1CCOC1=CC=C2)NC4=CC3=C([N](C)C=C3)C=C4,YDWJUUQAOPIUMO-UHFFFAOYSA-N
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| 21083 |
+
22354C6EE6DABBB0_833466E8754AC7F6_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(N=C(OC)C=C2)Cl)C,OKDAGLOSQYVNCU-UHFFFAOYSA-N
|
| 21084 |
+
229320220F953EF2_C1E9C69BE69C304A_6039_UN,C[C@@H](OCC(OC)C1CCOC1)C2=C(C(=CC=C2)F)F,UGSXZPLYDNQYNH-CDWSIMAYSA-N
|
| 21085 |
+
23825E6389436FEA_747B60999EE0BF07_6041_UN,C2(=C1C=C[NH]C1=CC=C2)NC3=CC=CC4=C3CCN(C)C4,LTXIAXKZWUWMNQ-UHFFFAOYSA-N
|
| 21086 |
+
23825E6389436FEA_BE2DB8C810281DCB_6041_UN,C2(=C1C=C[NH]C1=CC=C2)NC3=CC=CC4=C3CCN(C)C4,LTXIAXKZWUWMNQ-UHFFFAOYSA-N
|
| 21087 |
+
23C6503261E4E4DB_80774EF5250287B2_6041_UN,CN4CCC1=C(N=C(S1)NC2=C3C(=CC=C2)C=CS3)C4,UUSNONBZEVFSFN-UHFFFAOYSA-N
|
| 21088 |
+
2C1274259DE89EAC_4CAA38B5783017A4_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(CCCC(C)=C)=O,CFIUWTCAZZUQCT-UHFFFAOYSA-N
|
| 21089 |
+
2C5D11418B0FBD37_41BA5F3531DF9993_7022_UN,CC(C)C1=CC(=C(C=C1)NC[C@@H]2COC[C@H]2N(C)C)F,CYYFTJHCYOLHEO-CZUORRHYSA-N
|
| 21090 |
+
2D43B5B01253105D_5512BF4FB7FE4B7A_6028_UN,CN1C3CCC1CC(N[S](C2=CC(=CC(=C2)Cl)Br)(=O)=O)C3,KZNNNKPBNHOSAC-UHFFFAOYSA-N
|
| 21091 |
+
306C20C69084FC11_CA0795F7D98505FA_6029_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)N[S](C2=C(C=CC(=C2)OC)OC)(=O)=O,BHOFZIOWWYWTDB-UHFFFAOYSA-N
|
| 21092 |
+
310F56160502182E_31F50D3B86CBEC8B_6003_UN,CCNC(=O)NCCCOC1=CC=C(C=C1C)[N](=O)=O,ITZFXSRWURKWNO-UHFFFAOYSA-N
|
| 21093 |
+
3133C9A8DC5A0E8C_C43789F38C1F38E3_6039_UN,C[C@H](OCC(OC)C1CCOC1)C2=C(C(=CC=C2)F)F,UGSXZPLYDNQYNH-IFQILLTASA-N
|
| 21094 |
+
3244E21BB8925628_7AE10389AD9175DB_6039_UN,COC(OC)C(OCC2CC1CCCC1O2)C3=CC(=C(C=C3)F)F,BMVUUZLCTUISOH-UHFFFAOYSA-N
|
| 21095 |
+
3300C6BCC15BAC08_9BE67DEB19CEFF04_6041_UN,C2(=C1[NH]N=CC1=CC=C2)NC4C[C@H]3CCC[C@H](N3C)C4,QYTNOIZNRWBBIY-AGUYFDCRSA-N
|
| 21096 |
+
3584CD6F4497256E_A4915A1FD6AF6AC9_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(N=C(OC)C=C2)Br)C,ALDKFQUZMNCSAT-UHFFFAOYSA-N
|
| 21097 |
+
35B36479F556371F_01EA37AA610A1088_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C([N](C)C=C3)C=C4,QLRBFJBDMNOBOB-UHFFFAOYSA-N
|
| 21098 |
+
35B36479F556371F_29F1308E82ECE5F1_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C([N](C)C=C3)C=C4,QLRBFJBDMNOBOB-UHFFFAOYSA-N
|
| 21099 |
+
35B36479F556371F_BAEF377D653021F5_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C([N](C)C=C3)C=C4,QLRBFJBDMNOBOB-UHFFFAOYSA-N
|
| 21100 |
+
35B36479F556371F_DAD57F1E5E2CFBC6_7022_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C([N](C)C=C3)C=C4,QLRBFJBDMNOBOB-UHFFFAOYSA-N
|
| 21101 |
+
37A0F2EEB8F7A519_1A6AE7C1BC008C6F_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCCCC2=CSC=C2,IXXFIKOFOMFUOB-UHFFFAOYSA-N
|
| 21102 |
+
38093FA7712B778C_E08858D46504D038_6041_UN,CC1=C(C=C(C=N1)NC2=C3C(=CC=C2)OCO3)[N](=O)=O,LUPJSWGPFUSWCO-UHFFFAOYSA-N
|
| 21103 |
+
3A1D0EE19D9CF896_2BD177389EBAF149_7022_UN,C2(=C1CCCCC1=CC=C2)NC3=C(CN(C)C)C=CC=C3,JQLKDHKRPUIMBJ-UHFFFAOYSA-N
|
| 21104 |
+
3A1D0EE19D9CF896_5BEE0531F2A4EABA_6041_UN,C2(=C1CCCCC1=CC=C2)NC3=C(CN(C)C)C=CC=C3,JQLKDHKRPUIMBJ-UHFFFAOYSA-N
|
| 21105 |
+
3A53954EAA80EB12_9BC9A335B781810B_6035_UN,COCC3(COC1=C(C=C(OC)C=C1)Br)CC2OC2C3,RLWRRBITFSUDNI-UHFFFAOYSA-N
|
| 21106 |
+
3ABE0F6758389042_142C81C1957740F3_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C(C=C[N]3C)C=C4,AUIZZOMIOYLUGC-UHFFFAOYSA-N
|
| 21107 |
+
3ABE0F6758389042_3C3786E57691B58A_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C(C=C[N]3C)C=C4,AUIZZOMIOYLUGC-UHFFFAOYSA-N
|
| 21108 |
+
3ABE0F6758389042_8732863272AB84F7_6041_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C(C=C[N]3C)C=C4,AUIZZOMIOYLUGC-UHFFFAOYSA-N
|
| 21109 |
+
3ABE0F6758389042_E708CE5149B75EC4_7022_UN,C1(=CC2=C(C=C1)OCC2)NC4=CC3=C(C=C[N]3C)C=C4,AUIZZOMIOYLUGC-UHFFFAOYSA-N
|
| 21110 |
+
3BDD4AAF30654412_C8649E870F344EB7_6031_DP,NCCC(CC(=O)OCC1COCCNC1)C(F)(F)F,HQKZYCZTKDTDFA-UHFFFAOYSA-N
|
| 21111 |
+
41B5A03754C88F8A_6B6F422B66CE531B_6026_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)N(CCOC)CC2=CC(=CS2)Br,LCROBPGYAOMQHH-UHFFFAOYSA-N
|
| 21112 |
+
4228B586F6903074_76D0602AE6008257_6038_UN,CCN[S](=O)(=O)CCNC(=O)C(=O)C1=CC(=C(C=C1)F)F,MZLMISFNBJQJBX-UHFFFAOYSA-N
|
| 21113 |
+
465603E5734BE732_BA287C3B573B307E_6041_UN,COC1=C(C=C(C(=C1)C)[N](=O)=O)NCC2=CC=C(C=C2)OCC=C,MNPFZIMRNXGLLE-UHFFFAOYSA-N
|
| 21114 |
+
47BC1823E2BDF017_07A9E6253FFE5747_6029_UN,CN1C3CCC1CC(N[S](C2=CC(=C(C=C2)CBr)Cl)(=O)=O)C3,VNIGWUBNCHFPBU-UHFFFAOYSA-N
|
| 21115 |
+
48A21F276F8BA61F_AA0BFA4F2EB769B5_6041_UN,C[Si](C)(C)C#CC1=CC(=CC=C1)N[C@H]2[C@H](OC)COCC2,DCVUDLSQPMMIFZ-IAGOWNOFSA-N
|
| 21116 |
+
4D8210803B061D18_49B79C816AB1A891_6041_UN,COC(=O)C1=CC(=C(F)S1)NC2=C(C=CC(=C2)C)[S](=O)(=O)C,IOLHDDBORJEKKE-UHFFFAOYSA-N
|
| 21117 |
+
4D96754DDD8EC43A_40F5568FFF122E20_7022_UN,C2(=C1OCCCOC1=CC=C2)O[C@H](C3=CC=CC(=C3)OC)C,NOBQJTWCCKAWHA-ZDUSSCGKSA-N
|
| 21118 |
+
4E35629D71A6635B_EFE8BE6999D01049_6026_UN,COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NC2=C(N=C(OC)C=C2)C,MNKBWKQGRUEKFG-UHFFFAOYSA-N
|
| 21119 |
+
4F4059DF4D3D9FBA_0C7EDF422399D727_7022_UN,C1(=CC2=C(C=C1)OCCC2)NC3=CC=CC4=C3[N](C)C=C4,WDVZPEVJGIQAOM-UHFFFAOYSA-N
|
| 21120 |
+
4F4059DF4D3D9FBA_D13F84BC11ADE38C_6041_UN,C1(=CC2=C(C=C1)OCCC2)NC3=CC=CC4=C3[N](C)C=C4,WDVZPEVJGIQAOM-UHFFFAOYSA-N
|
| 21121 |
+
4FCC2380790C54C4_D93B79F470C9A037_6041_UN,FC2=C1C=NC=CC1=CC(=C2)NC3CN(C)C4(C3)CCC4,GBODXDXGRXPGPE-UHFFFAOYSA-N
|
| 21122 |
+
5844866C2A4FB0F9_3921EBCC1280BBE4_6039_UN,O(C1=C(C=C(C=C1)[N](=O)=O)CC=C)CCC(NCC)=O,YDYLKKABYYJKLQ-UHFFFAOYSA-N
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| 21123 |
+
599C52FAA6A9E508_3975A690058A2F1B_6029_UN,CN(C(=C[N](=O)=O)SC)[S](C1=CC(=CS1)C2=CC=CC(=C2)F)(=O)=O,ZMUNYWKBJKIFOE-UHFFFAOYSA-N
|
| 21124 |
+
59DDC185635EB126_0EC6A5A7322E97C2_6039_UN,O(C1=CC=C(C=C1)OCC=C)CC(NCC2=C([N](=O)=O)C=CC=C2)=O,BWVVOJYHMNQIAZ-UHFFFAOYSA-N
|
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