Added 27 molecules from epoch 21583 for Q01959
Browse files- Q01959_molecules.csv +27 -0
Q01959_molecules.csv
CHANGED
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@@ -25432,3 +25432,30 @@ rxn:2:86811:136989,CSc1ccc(C(C)NC2CCC(CC3CCN(C)C3)CC2)cc1,NJLUAZHDJLQTEW-UHFFFAO
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| 25432 |
rxn:2:89509:150766,C=C=Cc1ccc2scc(C(C)Nc3cncc(=O)[nH]3)c2c1,HWASGKOSOOEYHR-UHFFFAOYSA-N
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| 25433 |
rxn:2:89554:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)cc1,RJWMAFOHXMEXOV-UHFFFAOYSA-N
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| 25434 |
rxn:2:92882:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nccnc3C)cc2)c1,UVOPDPFCFPZRIT-UHFFFAOYSA-N
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| 25432 |
rxn:2:89509:150766,C=C=Cc1ccc2scc(C(C)Nc3cncc(=O)[nH]3)c2c1,HWASGKOSOOEYHR-UHFFFAOYSA-N
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| 25433 |
rxn:2:89554:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)cc1,RJWMAFOHXMEXOV-UHFFFAOYSA-N
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| 25434 |
rxn:2:92882:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nccnc3C)cc2)c1,UVOPDPFCFPZRIT-UHFFFAOYSA-N
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| 25435 |
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rxn:2:101450:111053,CC(Nc1cnsn1)c1ccc2ccccc2c1,RDLMDEQAWFXJPD-UHFFFAOYSA-N
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| 25436 |
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rxn:2:101450:171426,CCC(Nc1cnsn1)c1ccc(-c2cc(C)c(OC)cc2C)s1,QUAWQMFYRDGFJC-UHFFFAOYSA-N
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| 25437 |
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rxn:2:101969:87722,CCOc1ccc(C(C)N[C@H]2CC[C@H](CN3CCCC3)CC2)cc1C,BRSBLSQJQSNOQQ-OIFYPAEGSA-N
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| 25438 |
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rxn:2:107952:70192,CSC1CCC(NC(C)CCOc2ccc(C)cc2C)C1,QURKFHUHUZMFBJ-UHFFFAOYSA-N
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| 25439 |
+
rxn:2:109607:172927,CC(NCCCCC1N=N1)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,PFESKDUWSUSYHP-UHFFFAOYSA-N
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| 25440 |
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rxn:2:110352:87593,CCNC(CC1CCCC1)c1ccc(OC)c(C)c1C,NDCSIYSOLMYRJQ-UHFFFAOYSA-N
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| 25441 |
+
rxn:2:116231:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3[nH]cnc3C)cc2)cs1,XBBFFOFGDWZFNI-UHFFFAOYSA-N
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| 25442 |
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rxn:2:120971:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cncnc3)cc2)cs1,NSTJJTSVZNHJBM-UHFFFAOYSA-N
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| 25443 |
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rxn:2:128024:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCS(C)(=O)=O,VNKVOWPVMSIXMZ-UHFFFAOYSA-N
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| 25444 |
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rxn:2:129587:96010,CC(NCCCc1ncccn1)c1ccc(-c2ccsc2)cc1,IGLZGAONCXZUSM-UHFFFAOYSA-N
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| 25445 |
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rxn:2:136521:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3COCO3)c2)cc1C,XPTSHQDQRLTZAY-UHFFFAOYSA-N
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| 25446 |
+
rxn:2:137524:126659,Cc1ccc2sc(C(C)NC[C@H]3CC[C@H](CN4CCC4)CC3)cc2c1,KTWJXIPILJCIBZ-YIQCUVMYSA-N
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| 25447 |
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rxn:2:139678:173089,COCC(F)CNC(C)c1ccc(-c2cc3sccc3s2)cc1C,KAMCSILZRPBNCG-UHFFFAOYSA-N
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| 25448 |
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rxn:2:141555:85686,CC(NC1CCC(CC2CCCN(C)C2)CC1)c1csc(-c2cccs2)c1,XCWVSPZWZVRDIS-UHFFFAOYSA-N
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| 25449 |
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rxn:2:150747:114519,Cc1sccc1-c1ccc(C(C)NCC#Cc2ccc3[nH]c(=O)[nH]c3c2)cc1,BQEUZLGXYDPPBC-UHFFFAOYSA-N
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| 25450 |
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rxn:2:67778:107746,C(#Cc1cncnc1)CCNC1CCN(c2ccccc2)CC1,RJGGHSVOBJAMCB-UHFFFAOYSA-N
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| 25451 |
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rxn:2:71006:173016,CC(Nn1cn[nH]c1=O)c1cc(-c2ccc(-c3ccco3)cc2)cs1,APMDFYSBJUGIER-UHFFFAOYSA-N
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| 25452 |
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rxn:2:73585:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1c[nH]cn1,ODEARNYPXMQATM-UHFFFAOYSA-N
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| 25453 |
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rxn:2:76236:70192,Cc1ccc(OCCC(C)NC2CCC(CS(=O)(=O)C(C)C)C2)c(C)c1,WDPYGVYIVSAZEW-UHFFFAOYSA-N
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| 25454 |
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rxn:2:76625:120822,Cc1ccc(-c2ccc(C(C)NCCC#Cc3cnc[nH]3)cc2)s1,JKHDJEPVALQRFF-UHFFFAOYSA-N
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| 25455 |
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rxn:2:77371:149524,C(#Cc1ccoc1)CNC1CCN(c2ccc3[nH]ccc3c2)CC1,XXAJHNHQOHYFAL-UHFFFAOYSA-N
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| 25456 |
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rxn:2:81341:172375,CC(NC[C@H]1CCO1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,RMEZTXVSFJJZAX-AWKYBWMHSA-N
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| 25457 |
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rxn:2:85387:97563,CCCS(=O)(=O)C1CCCC(NC(CC)c2ccc(OCC)c(C)c2)C1,OYIOPRUWXQXYMW-UHFFFAOYSA-N
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| 25458 |
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rxn:2:86811:79735,COc1ccc(C(C)NC2CCC(CC3CCN(C)C3)CC2)c(C)c1C,IYJGCWVMXMAFSB-UHFFFAOYSA-N
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| 25459 |
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rxn:2:89590:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CN(c2ncccn2)C1,USKDQNIOPDMCOU-UHFFFAOYSA-N
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| 25460 |
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rxn:2:91764:156984,COc1ccc(C#CCNC(C)c2ccc(-c3cc(OC)cs3)cc2C)nc1,HQOGLHALUJCATD-UHFFFAOYSA-N
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| 25461 |
+
rxn:2:92382:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cn[nH]c3)c2)cc1C,UDLHUEWQOOBKFE-UHFFFAOYSA-N
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