cosmic-amanita commited on
Commit
f42795a
·
verified ·
1 Parent(s): a9a13f2

Added 31 molecules from epoch 24444 to Q9UQM7_molecules.csv

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Files changed (1) hide show
  1. Q9UQM7_molecules.csv +31 -0
Q9UQM7_molecules.csv CHANGED
@@ -22289,3 +22289,34 @@ rxn:5:198750:228178:223324,COCc1ccc(F)c(-c2cnc3c(-c4cc(C)c5cn[nH]c5c4)cccc3c2)c1
22289
  rxn:5:197491:228716:223456,CCc1c[nH]c2cc(-c3ccc(=O)[nH]n3)c(-c3cnc(C#N)c(C)c3)cc12,ZYYCLJBVUQUREF-UHFFFAOYSA-N
22290
  rxn:5:189502:223456:225630,Cc1cc(C)n(-c2ccc(-c3cc(-c4ccc(C(=O)ON)cc4)cc(-c4ccc(=O)[nH]n4)c3)cc2)n1,OTNLTFUGSWRTLU-UHFFFAOYSA-N
22291
  rxn:5:199082:223456:228179,COCc1cc(F)cc(-c2nc3cc(-c4ccc(=O)[nH]n4)ccc3cc2C)c1,ASTLVYAEVWXWSI-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
22289
  rxn:5:197491:228716:223456,CCc1c[nH]c2cc(-c3ccc(=O)[nH]n3)c(-c3cnc(C#N)c(C)c3)cc12,ZYYCLJBVUQUREF-UHFFFAOYSA-N
22290
  rxn:5:189502:223456:225630,Cc1cc(C)n(-c2ccc(-c3cc(-c4ccc(C(=O)ON)cc4)cc(-c4ccc(=O)[nH]n4)c3)cc2)n1,OTNLTFUGSWRTLU-UHFFFAOYSA-N
22291
  rxn:5:199082:223456:228179,COCc1cc(F)cc(-c2nc3cc(-c4ccc(=O)[nH]n4)ccc3cc2C)c1,ASTLVYAEVWXWSI-UHFFFAOYSA-N
22292
+ rxn:4:181866:227578,COc1cc(OC)c(-c2cc(F)c([Si](C)(C)C)c(F)c2)cc1Cl,CJVGBQYBOSXNSY-UHFFFAOYSA-N
22293
+ rxn:4:191799:226148,COc1cc([N+](=O)[O-])c(F)cc1-c1cccc(C#C[Si](C)(C)C)c1,LQTCAGXFHKHXTJ-UHFFFAOYSA-N
22294
+ rxn:4:205481:224652,CC(C)c1ccnc(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)c1C#N,LHUVHXOAEDXTAT-UHFFFAOYSA-N
22295
+ rxn:4:198433:223921,CN(C(=O)c1ccc(-c2ccc(Cl)c3ncoc23)c(Cl)c1)c1ccccc1,YWVXUYCDMLUZJK-UHFFFAOYSA-N
22296
+ rxn:4:218189:225227,CC1CCN(c2ncc(-c3cnc4c[nH]cnc3-4)cc2Cl)CC1,HJUSMJNNKHSYKM-UHFFFAOYSA-N
22297
+ rxn:4:196922:226340,N#Cc1cc(-c2cc(Cl)cc(N3CCCCC3=O)c2)c(Cl)c(C2CC2)c1,UVVGMRWAEKMIPX-UHFFFAOYSA-N
22298
+ rxn:4:210460:223049,Cc1ccc(-c2ccc(C(=O)NC3CC3)cc2F)c2ncc(C#N)c(Cl)c12,JVYJEOYOLHBBTF-UHFFFAOYSA-N
22299
+ rxn:4:191371:226493,COCCOc1ccc(-c2ccc(CC#N)c(F)c2F)c(Cl)c1,CMPTWJNIPYFFOW-UHFFFAOYSA-N
22300
+ rxn:4:211349:226128,O=C(CC1CC1)c1ccc(-c2coc3c(Cl)ncnc23)cc1,JIUQGSKCFIQJHC-UHFFFAOYSA-N
22301
+ rxn:4:211349:227323,CCC(C)c1cc(-c2coc3c(Cl)ncnc23)cnc1Cl,ANCDHUVIVHFXHT-UHFFFAOYSA-N
22302
+ rxn:4:187164:223366,CC(C)(C)[Si](C)(C)OCc1cncc(-c2cc(Cl)c3cn[nH]c3c2)c1,DRPQARRZJLMAPW-UHFFFAOYSA-N
22303
+ rxn:4:183613:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1c(C)cc(OCCCCC#N)cc1C,QPVOZAIIDZKQAP-UHFFFAOYSA-N
22304
+ rxn:4:176594:227578,COc1cc(OC)c(-c2ccc(OCC(C)=O)cc2Cl)cc1Cl,NDUBFSIZTQJXCX-UHFFFAOYSA-N
22305
+ rxn:4:197526:222883,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(C(=O)NC(C)(C)C)cc1Cl)c2Cl,BMZTZSNRQRUTPK-UHFFFAOYSA-N
22306
+ rxn:4:201298:227952,CCC(CC#N)c1cccc(-c2cc(C)c(C#N)cc2C)n1,CNWZSXFTLLLRGP-UHFFFAOYSA-N
22307
+ rxn:4:217250:226352,Cc1cc(-c2c[nH]c3c(C#N)ccnc23)c(Cl)cc1OC(C)C,OSDPGVGEJVSRGG-UHFFFAOYSA-N
22308
+ rxn:4:210086:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cc(Cl)c2ccnc(C#N)c2c1,NOVOGFCIDUXDPK-UHFFFAOYSA-N
22309
+ rxn:4:216372:227419,O=[N+]([O-])c1c[nH]c(-c2ccc(C3CCC3)nc2F)n1,OEJQGGOWALJDKJ-UHFFFAOYSA-N
22310
+ rxn:4:190737:222400,COc1cc2c(cc1-c1ccc(C(=O)Nc3nnn[nH]3)cc1)oc(=O)n2CC1CC1,LRDUWSVIXQAPGZ-UHFFFAOYSA-N
22311
+ rxn:4:211759:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc3c(Cl)cnnc3c2)cc(F)c1F,WPLWNTLTMRDVDF-UHFFFAOYSA-N
22312
+ rxn:4:188407:228004,CCOC(=O)c1cnc(-c2ccc(C3CC3)c(Cl)c2)cc1F,FWHIADHSMNYLCH-UHFFFAOYSA-N
22313
+ rxn:4:219819:227947,COc1ccc(-c2c(C)cc(C#N)cc2C)cc1Cc1nnn[nH]1,SDQZZSRPSXRZPW-UHFFFAOYSA-N
22314
+ rxn:4:178172:226337,Cc1cc(OCC2OCCO2)cc(C)c1-c1cc(C2CC2)cc(C#N)c1Cl,BDMMMNWTUNBGLU-UHFFFAOYSA-N
22315
+ rxn:4:188744:227853,COc1cc(-c2cccc3c2ccn3C)ccc1C=C[N+](=O)[O-],LJUPPHZVMANWEQ-UHFFFAOYSA-N
22316
+ rxn:4:210086:225231,CC1CCCCN1c1cc(-c2cc(Cl)c3ccnc(C#N)c3c2)cnc1Cl,QKEJMSKUTUWNPT-UHFFFAOYSA-N
22317
+ rxn:4:197526:224188,CC(=O)N1CC(=O)c2c1ccc(-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl)c2Cl,WHHUFOWDNGPIOC-UHFFFAOYSA-N
22318
+ rxn:4:212071:228216,Cc1cc(-c2cncc(C3CC3)c2Cl)cc2[nH]nc(Cl)c12,WICDADOZCSUBGR-UHFFFAOYSA-N
22319
+ rxn:4:220564:223430,O=[N+]([O-])c1nc(-c2ccc3[nH]nnc3c2)n[nH]1,SGIMCUQRUSYFFG-UHFFFAOYSA-N
22320
+ rxn:4:182709:227262,CCCOc1cccc(-c2cc(Cl)cc3c2OCC3=O)c1Cl,XAKYLGMGICOJFA-UHFFFAOYSA-N
22321
+ rxn:4:191360:224983,N#CCc1cc(-c2ccc(C3CC3)cc2-n2cccn2)c(F)cc1Cl,SFJWEPOLDQJANN-UHFFFAOYSA-N
22322
+ rxn:4:197747:226340,CCN1C(=O)CCc2cc(-c3cc(C#N)cc(C4CC4)c3Cl)ccc21,LBSSNSIFUSNPNK-UHFFFAOYSA-N