Added 29 molecules from epoch 21740 for P23977
Browse files- P23977_molecules.csv +29 -0
P23977_molecules.csv
CHANGED
|
@@ -45093,3 +45093,32 @@ rxn:2:93577:170060,COCO[C@H]1CC[C@H](NC(C)CCc2ccc(-c3csc(C)c3)cc2)CC1,ZOFMJCOGMO
|
|
| 45093 |
rxn:2:94862:169085,COc1ccc2oc(-c3ccc(CCC(C)NCc4cc(=O)[nH][nH]4)cc3)cc2c1,CJAACEOOCWGWJH-UHFFFAOYSA-N
|
| 45094 |
rxn:2:95776:173089,CSc1nncn1NC(C)c1ccc(-c2cc3sccc3s2)cc1C,VSVFHAKRXGVJCX-UHFFFAOYSA-N
|
| 45095 |
rxn:2:99626:142183,Cc1ccc2cc(NCC=N)ccc2n1,SDFSZLISDVLAHQ-UHFFFAOYSA-N
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 45093 |
rxn:2:94862:169085,COc1ccc2oc(-c3ccc(CCC(C)NCc4cc(=O)[nH][nH]4)cc3)cc2c1,CJAACEOOCWGWJH-UHFFFAOYSA-N
|
| 45094 |
rxn:2:95776:173089,CSc1nncn1NC(C)c1ccc(-c2cc3sccc3s2)cc1C,VSVFHAKRXGVJCX-UHFFFAOYSA-N
|
| 45095 |
rxn:2:99626:142183,Cc1ccc2cc(NCC=N)ccc2n1,SDFSZLISDVLAHQ-UHFFFAOYSA-N
|
| 45096 |
+
rxn:2:104011:92488,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1cc(-c2ccsc2)cs1,CNGIRGTVQVSNKQ-UHFFFAOYSA-N
|
| 45097 |
+
rxn:2:106410:91563,Cc1cc(-c2ccco2)ccc1C(C)Nc1ccc(-c2ccsn2)cc1,LRJQOZUYTOCLKR-UHFFFAOYSA-N
|
| 45098 |
+
rxn:2:107651:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)Nc1cnco1,KHLYUUNTQCBGRN-UHFFFAOYSA-N
|
| 45099 |
+
rxn:2:110271:170411,CCSc1ccc(-c2ccc(C(C)NCCCCn3cncn3)c(C)c2)cc1,BSQOZHKGVHTOJS-UHFFFAOYSA-N
|
| 45100 |
+
rxn:2:117359:96010,CC(NC1CCC(OCCN2CCCCC2)CC1)c1ccc(-c2ccsc2)cc1,YCXULOXDUFUOEW-UHFFFAOYSA-N
|
| 45101 |
+
rxn:2:118433:170668,CC(NCCCc1ncc[nH]1)c1csc(-c2ccc(-c3ccco3)cc2)c1,ZLGDIVZBSJFDID-UHFFFAOYSA-N
|
| 45102 |
+
rxn:2:118433:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1ncc[nH]1,GCAYVKGTAFZZSV-UHFFFAOYSA-N
|
| 45103 |
+
rxn:2:120356:172751,Cc1nc(C#CCCNC(C)c2ccc(-c3ccc(-c4cccs4)s3)cc2C)c[nH]1,RXRUAXXXMUTQJQ-UHFFFAOYSA-N
|
| 45104 |
+
rxn:2:120564:146828,CSCC(NCCCc1nnco1)c1ccc2cc(C)ccc2c1,VDJPYCZPMWRRPY-UHFFFAOYSA-N
|
| 45105 |
+
rxn:2:122359:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3(c4ccncn4)CC3)c2)cc1C,AXQSRIKEGMNWJF-UHFFFAOYSA-N
|
| 45106 |
+
rxn:2:123831:112875,CSc1ccc(CCNC2CC(C#Cc3cccs3)C2)cc1,NWWWAEPRIPYHFX-UHFFFAOYSA-N
|
| 45107 |
+
rxn:2:124792:172189,Cc1cc(-c2ccc(C3CCC(NCc4ccn[nH]4)CC3)cc2)cs1,SWNPAAYUHSMMCV-UHFFFAOYSA-N
|
| 45108 |
+
rxn:2:126498:123403,Cc1ccc2cc(C(C)NCCCCc3ccoc3)sc2c1,FDVZFADFPHYDGC-UHFFFAOYSA-N
|
| 45109 |
+
rxn:2:127181:152446,CCSc1nccc(NC(C)c2ccc(C#Cc3ccccc3)cc2)n1,DKZBVODLSCNSNY-UHFFFAOYSA-N
|
| 45110 |
+
rxn:2:133009:170060,Cc1cc(-c2ccc(CCC(C)NCc3cc(=O)[nH]s3)cc2)cs1,VIBXWYXOKLWLIH-UHFFFAOYSA-N
|
| 45111 |
+
rxn:2:135125:169412,COc1ncc(C#CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,NFPBPJWSPDHPFE-UHFFFAOYSA-N
|
| 45112 |
+
rxn:2:142221:94286,Cc1ccc(OC[C@@H](C)NC2CCOC(C3CCCC3)C2)c(C)c1,XJDZZVZKBMLDMA-FQVISZRSSA-N
|
| 45113 |
+
rxn:2:142622:111147,CC(NCCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2nccs2)cc1,HNZITWGRLATHGW-UHFFFAOYSA-N
|
| 45114 |
+
rxn:2:67187:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)Nc1cncnc1,MASAAAPAWPUUIY-UHFFFAOYSA-N
|
| 45115 |
+
rxn:2:67883:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cncs3)c2)cc1C,CJOQGYAVMUEILX-UHFFFAOYSA-N
|
| 45116 |
+
rxn:2:73938:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cnn(C)c3C)cc2)c1,DPLPOJDPZWGBHE-UHFFFAOYSA-N
|
| 45117 |
+
rxn:2:74199:76379,CC(NCCC#Cc1cnc2cc[nH]c2c1)c1ccc(-c2cscn2)cc1,OTBSVJNWFNXGSC-UHFFFAOYSA-N
|
| 45118 |
+
rxn:2:77560:172575,CCC(Nc1cnoc1)c1ccc(-c2cc(C)c(OC)cc2C)cc1C,BUCZMICMKWNJQL-UHFFFAOYSA-N
|
| 45119 |
+
rxn:2:77560:92656,c1coc(-c2ccc(C(Nc3cnoc3)C3CC3)cc2)c1,BETLTSBKFJGFQE-UHFFFAOYSA-N
|
| 45120 |
+
rxn:2:79242:169412,Cc1csc(-c2ccc(CCC(C)N[C@H]3CC[C@H](Oc4cnccn4)CC3)cc2)c1,PXWQAGDJNITSCC-FIARQXNZSA-N
|
| 45121 |
+
rxn:2:84123:94314,Cc1cccc2c(C(C)NCCCCC3(C)N=N3)csc12,AMJZNYVTRMELCA-UHFFFAOYSA-N
|
| 45122 |
+
rxn:2:91097:170411,CCSc1ccc(-c2ccc(C(C)NCCCc3cncnc3)c(C)c2)cc1,WISOLMOSYLYPQX-UHFFFAOYSA-N
|
| 45123 |
+
rxn:2:92520:169412,COC(CCNC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1c[nH]c(=O)[nH]1,YJBDKAXIGBRVHU-UHFFFAOYSA-N
|
| 45124 |
+
rxn:2:94752:170892,CC(NCC(F)(F)c1cn[nH]c1)c1ccc(-c2cc3sccc3s2)s1,IFWTWBRMDOZXAV-UHFFFAOYSA-N
|