urdof7 commited on
Commit
844c6ed
·
verified ·
1 Parent(s): 008b0c6

Added 240 molecules from epoch 16729 for P31645

Browse files
Files changed (1) hide show
  1. P31645_molecules.csv +240 -0
P31645_molecules.csv CHANGED
@@ -37440,3 +37440,243 @@ rxn:2:98519:96805,COC1COc2ccc(C(C)C)cc2C1NCc1cc(COC2CCCCCC2)c(C)o1,GJNZGCQNRZXOD
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  rxn:2:99904:138252,CCN(C)C1CCCCCC1NCCC1C(c2cccn2C)C1(F)F,ZLVAJABTWQJYHQ-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ D665343947B54704_CD7336964CB2DDBA_6038_UN,N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C45CCC(F)(CC4)C5,BMLXRERTJJICSM-UHFFFAOYSA-N
37606
+ D6DD4519B7D61E8C_8F466D34F5D26B5F_6029_UN,N(CC1=CC2=C(C=C1)C(=O)CCC2)[S](C3=CC4=C(C=C3)[NH]C=C4)(=O)=O,JQFMFXOXRZCELV-UHFFFAOYSA-N
37607
+ D850C1F6A422A536_AC4477912D4C9F26_6029_UN,N(CC1=CC2=C(C=C1)SC=C2)[S](C3=CC(=C(C=C3)F)CN(C)C)(=O)=O,KSMILLMVILVOIS-UHFFFAOYSA-N
37608
+ D89FA866CF5FE8F1_88D08C4B1FB2C368_6029_UN,N(CC1=CC(=CC=C1)OC2CCCC2)[S](C4=CC3=C(C=C(Cl)C=C3)C=C4)(=O)=O,SHDNMBAWTZAESI-UHFFFAOYSA-N
37609
+ D8BDAEFF00048BDF_130EE33559C02408_6026_UN,[S](=O)(=O)(C2=C1C=CC=CC1=CC=C2)NCC3=CC(=C(OC)C=C3)OC4CCCC4,CAGQLRZSOKLQPG-UHFFFAOYSA-N
37610
+ D9A7D5FE64A27AD6_2A222B478A2D3294_6026_UN,[S](=O)(=O)(C2=C1C=CC=CC1=CC=C2)N4CC3=C(C=C(OC)C=C3)CC45CC5,YTJIFYXVAWRBBO-UHFFFAOYSA-N
37611
+ DCE6D1B19AD75928_9CE646087DD299D1_6026_UN,COC1=C(C=CC(=C1)Br)[S](=O)(=O)N2C3CCC(O2)C=C3,WUXGJDZMIMNNBS-UHFFFAOYSA-N
37612
+ DDEC74DF5838435F_66599C7BD9425F8A_6035_UN,O(C(C1CCCC1)C2=CC3=C(C=C2)OCO3)C5=C4NC(NC4=CC=C5)=O,MICCYUIOKOITIR-UHFFFAOYSA-N
37613
+ E034DDB8F96ADDCA_87E79F2BAA5201EF_6041_UN,C1(=CC2=C(C=C1)C(=O)NNC2=O)NC3=CC(=C(C=C3)F)[S](=O)(=O)N4CCOCC4,FNKREURZMCOGIN-UHFFFAOYSA-N
37614
+ E04666257E7CDD9D_044DA1B52DE4DA9D_6041_UN,C2(=C1CCC(C1=CC=C2)=O)NC4=C3C=CN=CC3=C(C=C4)[N](=O)=O,SURSOBUCXPKNRC-UHFFFAOYSA-N
37615
+ E1DF56F542F44B98_B65D3818F3E2C27B_6031_UN,O(C(=O)C2=CC1=C(C=CC(=C1)F)OC2)CC3C4CCC(N3)C4,CPXVIKOQHGNTST-UHFFFAOYSA-N
37616
+ E1DFEC4644302B47_7271229433BBCB4C_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N4CCC(C3=CC=C(OC)C=C3)C4,OMGMHEZDOYTUMO-UHFFFAOYSA-N
37617
+ E20E96F03F285695_6678B3571F0FDD43_6041_UN,CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)NC4CCC(C)C5=C(C4)C=CC=C5,QWTQNJARPQFGFK-UHFFFAOYSA-N
37618
+ E9FB7BDC9598527A_E213FC21C641B5A5_6028_UN,N(C3=C2C1=C(CCC1=CC=C2)C=C3)[S](C4=[N](=O)C=CC=C4)(=O)=O,ABSMIBZFSQGBKC-UHFFFAOYSA-N
37619
+ EAABAF924CC7E4E7_89AE391ADBFF9074_6041_UN,C[S](=O)(=O)OCC1=CC(=C(C=C1)NC2=C(OC)C=C(C(=C2)F)F)F,OZJHZUOOODWCEG-UHFFFAOYSA-N
37620
+ EBB23ADE1BDAE651_7534575089104325_6026_UN,O=[N](=O)C1=CC(=CS1)[S](=O)(=O)NC2=C(CN(C)C)C=C(C=C2)Cl,GAJTYSIBIFPADP-UHFFFAOYSA-N
37621
+ EC57FC5FB873971A_B1AE951FE772888F_6028_UN,N(C1=CC(=C(C=C1)F)C2CC2)[S](C3=C(OC)C=CC(=C3)Br)(=O)=O,UCYLUBCSCVXKGS-UHFFFAOYSA-N
37622
+ ED883D8091B2A383_D44F9CC941583E91_6031_UN,O(C(=O)[C@@H]1CNC[C@H]1C2=CC(=CC=C2)F)CC3C4CNC3CCC4,JVKPBFNHAUPLHP-RHRFBPIUSA-N
37623
+ ED9E8C174F309562_8D36A1000F47ED17_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N5CCC(C4=CC(=CC(=C4)OC)OC)CC5,MCEXMMRPIBIBEK-UHFFFAOYSA-N
37624
+ F0E15D93355E1F7B_9582C1B6DA293DE2_6041_UN,C1(=CC=C(S1)C2CC2)NC3=CC(=C(OC)C=C3)[N](=O)=O,GPLRLABKOKCZFD-UHFFFAOYSA-N
37625
+ F2C1D64E30A15773_C9973D6FDC37C869_6039_DP,COC2C(OCCCOC1=CC(=C(C=C1C)CC=C)C)CCCCN2,BBHFUESWSPBJOU-UHFFFAOYSA-N
37626
+ F473ECB2DE345CB8_76D24F7F49A31B59_6026_UN,ClC1=CC(=C(C=C1)OC2CCCC2)[S](=O)(=O)NCC3=C4C(=CC=C3)C=CC=C4,ARNANVOEYRGVCN-UHFFFAOYSA-N
37627
+ F5A98127436A49F2_E0A34DEB9C5C85EA_6039_UN,COCC(OCCCOC1CCCCO1)CN2CCSC(C)(C)C2,PXWNOUOQVVXULA-UHFFFAOYSA-N
37628
+ F88C4038380F0DCC_70E5A675E4576FDF_6026_UN,O=[N](=O)C1=CC(=CS1)[S](=O)(=O)NC2=C(C=C(CN(C)C)C=C2)F,JLCIPNMHCORUKY-UHFFFAOYSA-N
37629
+ F90F1B4F3EDE932A_AAAE9BC758DFF9BE_6041_UN,C[N]2N=C1CCCC1=C2NC3(CC3)C4=CC5=C(C=C4)OCO5,VPJRTVKQPYIHNZ-UHFFFAOYSA-N
37630
+ FBA8353D54FA2A85_5526912C304DE2A4_6031_UN,O(C(=O)C2=CC1=C(C=CC(=C1)Br)OC2)CC3CC4CCC(C3)N4,LDJAQKOAVKOAOY-UHFFFAOYSA-N
37631
+ FBEF8A04830C6D76_EB788B10914AC88A_6026_UN,COC1=C(C=CC(=C1)Cl)[S](=O)(=O)N2C3CCC(O2)C=C3,JHKHXYZUTSKDDM-UHFFFAOYSA-N
37632
+ FC16F72CB8606AFA_07E4B227A0AA2EDE_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)O[C@@H]4C([C@H]3C[C@H](C3(C)C)C4)=C,JDKKYLGFNTYVJJ-DAYGRLMNSA-N
37633
+ FC9105ECA3DA6649_B5DC93E2A647885D_6031_UN,O(C(=O)CC2=C1C=CC=CC1=C(C=C2)Br)CC3C4CCC(N3)C4,YZJFSBPVKXZUAM-UHFFFAOYSA-N
37634
+ FD7F8A2CB960573A_989BF278E425F1AD_6039_UN,O(C2(CC1CO1)CCCC2)CCCN3CCN(C)CC3,PXIRVZYLTBOPEV-UHFFFAOYSA-N
37635
+ FD7F8A2CB960573A_D6A5BA5765166BA9_6039_UN,O(C2(CC1CO1)CCCC2)CCCN3CCN(C)CC3,PXIRVZYLTBOPEV-UHFFFAOYSA-N
37636
+ FE723B92DA30914B_D3FA67A613D5EAE7_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C=NC=C1)I)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,VNKWFMRPSVPLIM-SAPQRMKNSA-N
37637
+ FF2F676733F4F6D3_96AEFD05937A9C0A_6003_UN,O(C1=CC2=C(C=C1)CCC(=O)N2)C3=CC=C([N](=O)=O)C4=C3C=CN=C4,UEGYWFHXSCZQNH-UHFFFAOYSA-N
37638
+ rxn:1:51533:24388,O=C1CC(c2cn(C3=NNC4(C(=O)N3)c3ccccc3-c3ccccc34)nn2)CN1CC1CC2C=CC1C2,PXDJKAFGFBEFHK-UHFFFAOYSA-N
37639
+ rxn:2:100159:104771,Cc1cc(C)c(CC2CCCN2CCNC2CC3CCCN3C(C)(C)C2)c(C)c1,YTFQGNCXLVSLSE-UHFFFAOYSA-N
37640
+ rxn:2:106773:131822,Cc1ccc(NC2CCCC2CCC2=NC(C)(C)CC(C)O2)c(C2CC2)c1,ZNDFIZVEXRQCPE-UHFFFAOYSA-N
37641
+ rxn:2:107142:138282,Cc1cc(C)c(C)c(C2(C)CC2NC2CCN(C)C3(CCCC3)C2)c1C,LLRPIKLHRLCCLM-UHFFFAOYSA-N
37642
+ rxn:2:107897:141902,CN1CCCCC1n1nc(CNC2CCCc3cccc(OC4COC4)c32)c2c1CC1CC21,RYFDJZYXNULEDG-UHFFFAOYSA-N
37643
+ rxn:2:108128:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1ccnc(OC2CCCCC2)c1,APIWECLVEHEPEM-UHFFFAOYSA-N
37644
+ rxn:2:109227:121656,CC(CCCC1CCCN(C)C1)NCC[C@@H]1C[C@H]1C1CC1,YTGNMBUCJCHMIB-HWMSQKFYSA-N
37645
+ rxn:2:113071:137761,C[Si]1(C)CCC(CCNC2CCCc3ccc(C4CCCCC4)cc32)C1,XRMBBQXPNSGESV-UHFFFAOYSA-N
37646
+ rxn:2:119935:138570,CN1CC(CN2CCCCCC2CCNC2CCCc3cc(OCC4CC4)ccc32)C1,SVXRFUDREWOKFD-UHFFFAOYSA-N
37647
+ rxn:2:121656:109227,CC(CCCC1CCCN(C)C1)NCC[C@@H]1C[C@H]1C1CC1,YTGNMBUCJCHMIB-HWMSQKFYSA-N
37648
+ rxn:2:129404:141384,Cc1cc(C)c(C)c(C2(NC3CCCC(N(C)C)C3)CCCCC2)c1C,CYLOIHQYHGSKMJ-UHFFFAOYSA-N
37649
+ rxn:2:129429:136408,CN1CCC[C@@H]1CC(C[C@@H]1CCCN1C)NCCCCN1CCCC2CC21,XLFPIYFIEWHIKW-LBDAMEBMSA-N
37650
+ rxn:2:131804:138570,CN1CC(CN2CCCCCC2CCNC2CCCc3ccc(OCC4CC4)cc32)C1,FYSBJRGXECXELX-UHFFFAOYSA-N
37651
+ rxn:2:136408:129429,CN1CCC[C@@H]1CC(C[C@@H]1CCCN1C)NCCCCN1CCCC2CC21,XLFPIYFIEWHIKW-LBDAMEBMSA-N
37652
+ rxn:2:137761:113071,C[Si]1(C)CCC(CCNC2CCCc3ccc(C4CCCCC4)cc32)C1,XRMBBQXPNSGESV-UHFFFAOYSA-N
37653
+ rxn:2:138570:119935,CN1CC(CN2CCCCCC2CCNC2CCCc3cc(OCC4CC4)ccc32)C1,SVXRFUDREWOKFD-UHFFFAOYSA-N
37654
+ rxn:2:138570:131804,CN1CC(CN2CCCCCC2CCNC2CCCc3ccc(OCC4CC4)cc32)C1,FYSBJRGXECXELX-UHFFFAOYSA-N
37655
+ rxn:2:138570:135092,CN1CC(CN2CCCCCC2CCNC2CCCc3c(OCC4CC4)cccc32)C1,UANMDMXOXXDNCG-UHFFFAOYSA-N
37656
+ rxn:2:139033:141471,CC1CCCC(CNCC#CCN2CCCC(F)C2)N1C,TVRYTFBAMVBAOF-UHFFFAOYSA-N
37657
+ rxn:2:141902:107897,CN1CCCCC1n1nc(CNC2CCCc3cccc(OC4COC4)c32)c2c1CC1CC21,RYFDJZYXNULEDG-UHFFFAOYSA-N
37658
+ rxn:2:66328:79674,CN1CCC(N2CCC(CCNC3CCc4ccc(OCC5CC5)cc43)CC2)CC1,WLKOKTHBLNOLCR-UHFFFAOYSA-N
37659
+ rxn:2:67039:135092,CN(CCC1CCOCC1)C1CCCCC1NC1CCCc2c(OCC3CC3)cccc21,PBQUIKNZBQPTGO-UHFFFAOYSA-N
37660
+ rxn:2:67039:83993,CN(CCC1CCOCC1)C1CCCCC1NC1CCCc2ccc(OCC3CCC3)cc21,VLUUWMXSMGSLGC-UHFFFAOYSA-N
37661
+ rxn:2:71548:107164,COc1ccc2c(c1)OC1(CCCCC1)CC2NCCN1CCC1c1ccc2c(c1)OCCCO2,SXUSYYQQAPGKOL-UHFFFAOYSA-N
37662
+ rxn:2:74874:84339,CCN1CCCCCC1C1CCCC1NCCC1CCc2cccc(OC3COC3)c21,WVZVUSSBLQSKQC-UHFFFAOYSA-N
37663
+ rxn:2:75507:85659,CCN(CCOC)C1CCCC1NC1(CCN(C)C)CC1,ODZLEHFEVCEOLV-UHFFFAOYSA-N
37664
+ rxn:2:79674:119935,CN1CCC(N2CCC(CCNC3CCCc4cc(OCC5CC5)ccc43)CC2)CC1,HXKZZXOOHDVYGM-UHFFFAOYSA-N
37665
+ rxn:2:79674:83993,CN1CCC(N2CCC(CCNC3CCCc4ccc(OCC5CCC5)cc43)CC2)CC1,FQROJOZDKXLZFB-UHFFFAOYSA-N
37666
+ rxn:2:80151:107897,CN1CCCCC1CCN1CCCCC1CNC1CCCc2cccc(OC3COC3)c21,YUXJKDJSRLKACD-UHFFFAOYSA-N
37667
+ rxn:2:80151:119935,CN1CCCCC1CCN1CCCCC1CNC1CCCc2cc(OCC3CC3)ccc21,PUMHWMGVAAKQJS-UHFFFAOYSA-N
37668
+ rxn:2:80151:135092,CN1CCCCC1CCN1CCCCC1CNC1CCCc2c(OCC3CC3)cccc21,WXYPLJQEWLNTGI-UHFFFAOYSA-N
37669
+ rxn:2:80151:83993,CN1CCCCC1CCN1CCCCC1CNC1CCCc2ccc(OCC3CCC3)cc21,QYQOTDHXHBSBCZ-UHFFFAOYSA-N
37670
+ rxn:2:80951:127518,CC(C)N(C)C1CCN(CCNC2CCCC(OC3CC3)C2)C1,JIPWBFRSNVJJHK-UHFFFAOYSA-N
37671
+ rxn:2:81316:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1ccnc(OC2CCOCC2)c1,ZWXGOHVUTKOBGR-UHFFFAOYSA-N
37672
+ rxn:2:83993:101898,CN1CCCN(C2CC2)C(CCNC2CCCc3ccc(OCC4CCC4)cc32)C1,QBLTXCNNYNTJQE-UHFFFAOYSA-N
37673
+ rxn:2:84662:172332,CC12CCC3c4ccccc4CCC3C1CCC2NCc1ccnc(OC2CCCC2)c1,GVOHDZCQBDJCIO-UHFFFAOYSA-N
37674
+ rxn:2:85280:88365,CCCO[C@H]1CC[C@@](C)(N2CCC(NCCCN(C)C3CCCCC3C)CC2)CC1,COYBTHXOQJSKCM-HYCVOIKLSA-N
37675
+ rxn:2:85659:123809,CCCCCN(C)C1CCCCCC1NC1(CCN(C)C)CC1,SJIFFEAUUCYYMH-UHFFFAOYSA-N
37676
+ rxn:2:85659:75507,CCN(CCOC)C1CCCC1NC1(CCN(C)C)CC1,ODZLEHFEVCEOLV-UHFFFAOYSA-N
37677
+ rxn:2:88365:104553,CCCO[C@H]1CC[C@](C)(N2CCC(NCCCN(C)C3CCCCC3C)CC2)CC1,COYBTHXOQJSKCM-PGDUUFKASA-N
37678
+ rxn:2:88365:109246,CCC(NCCCN(C)C1CCCCC1C)C1(F)CC1,NTNQJHUTDSQMCX-UHFFFAOYSA-N
37679
+ rxn:2:89164:127013,CCC1CCC(NCCN(C)C[C@@H]2CCCN2C)C1C,DOFMIZOLIAMJMV-PYCMUAIMSA-N
37680
+ rxn:2:90333:131822,CCN1CCCC(ONC2CCCC2CCC2=NC(C)(C)CC(C)O2)C1,LZAUAYYHJMDWKT-UHFFFAOYSA-N
37681
+ rxn:2:91482:110670,CC(C)c1nn(C2CCCN(C)C2)cc1CNC1CCC2SCCSC12,UUPGEHQNAGCEHV-UHFFFAOYSA-N
37682
+ rxn:2:95786:89477,CC[C@@H]1CCCC(NC2(C)CCN(CCCN(C)C)CC2)C1,HJARKINOJJGFLA-QNSVNVJESA-N