Added 31 molecules from epoch 20653 for P31652
Browse files- P31652_molecules.csv +31 -0
P31652_molecules.csv
CHANGED
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@@ -59949,3 +59949,34 @@ rxn:2:89554:117186,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc2sccc2c1,QLSYGZUKVILCHH-UHFFFAO
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| 59949 |
rxn:2:90209:66486,CC1Cc2[nH]ccc2C1Nc1ccc2nscc2c1,DVBGARFLKVPZFR-UHFFFAOYSA-N
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| 59950 |
rxn:2:93472:117186,CC(NC1CCn2ncnc2C1)c1ccc2sccc2c1,CBEXQHJCLMQJHI-UHFFFAOYSA-N
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| 59951 |
rxn:2:93954:118754,Cc1c[nH]c2cc(C(C)NC3Cc4cscc4C3)cnc12,PXEFHYZLIVNHNA-UHFFFAOYSA-N
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| 59949 |
rxn:2:90209:66486,CC1Cc2[nH]ccc2C1Nc1ccc2nscc2c1,DVBGARFLKVPZFR-UHFFFAOYSA-N
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| 59950 |
rxn:2:93472:117186,CC(NC1CCn2ncnc2C1)c1ccc2sccc2c1,CBEXQHJCLMQJHI-UHFFFAOYSA-N
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| 59951 |
rxn:2:93954:118754,Cc1c[nH]c2cc(C(C)NC3Cc4cscc4C3)cnc12,PXEFHYZLIVNHNA-UHFFFAOYSA-N
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| 59952 |
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rxn:2:100222:99294,Cc1cc2nnccc2cc1NCC1CCc2scnc21,HQEKUXZCQZGKSN-UHFFFAOYSA-N
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| 59953 |
+
rxn:2:101051:109871,CSCCC(C)Nc1cnc2cc(C)[nH]c2c1,LWAXGRYINWNTCH-UHFFFAOYSA-N
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| 59954 |
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rxn:2:104749:109871,CSCCC(C)Nc1cc2c(C)nn(C)c2nc1C,BYHDDKIQZNPHCQ-UHFFFAOYSA-N
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| 59955 |
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rxn:2:109502:142194,COc1cc(OC)c(NC(C)c2ccc3n[se]nc3c2)cn1,HOPGSTGLRKAHSU-UHFFFAOYSA-N
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| 59956 |
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rxn:2:109899:146938,CCc1ccc(NC2CCCc3c2cnc2ncnn32)s1,YIUIJHRQZNEMGI-UHFFFAOYSA-N
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| 59957 |
+
rxn:2:110094:98874,Cc1c(NC2CCO[C@H](C)C2)cc2[nH]cnc2c1C,UEHOLJBUJUCXIK-PKEIRNPWSA-N
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| 59958 |
+
rxn:2:111977:85100,Cc1csc2c1C(NCC#Cc1c(C)n[nH]c1C)CCC2,MPMCWERDSPIRQZ-UHFFFAOYSA-N
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| 59959 |
+
rxn:2:113724:142194,COc1cc(SC)nc(NC(C)c2ccc3n[se]nc3c2)n1,KURXOZBQKITTMR-UHFFFAOYSA-N
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| 59960 |
+
rxn:2:115231:136505,C[Si](C)(C)C#Cc1cnc(NC2CC3(C2)CC3(F)F)nc1,LQNFALDOZFHFLI-UHFFFAOYSA-N
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| 59961 |
+
rxn:2:118036:80962,Cc1c(NC(C)c2cc3c(cn2)cnn3C)ccc2scnc12,GXTPEPIGCHGHQL-UHFFFAOYSA-N
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| 59962 |
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rxn:2:124198:90323,CC(NCCC#Cc1ccsc1)c1cncc2[nH]ccc12,OFIQCRDIFVKRHC-UHFFFAOYSA-N
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| 59963 |
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rxn:2:126579:124205,Cc1cc2c(C(C)NCC#Cc3csc(C)c3)n[nH]c2cn1,PNYXUTLNJKTUPJ-UHFFFAOYSA-N
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| 59964 |
+
rxn:2:129761:80351,CCc1c(NC2CCc3c2ccn3C)ccc2nc[nH]c12,WWEIRBXZHPFUDT-UHFFFAOYSA-N
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| 59965 |
+
rxn:2:133760:83447,c1nc(-c2ccc(NC3C[C@@H]4C[C@@H]4C3)nc2)cs1,XWFQAFHCCFPZSI-FOSCPWQOSA-N
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| 59966 |
+
rxn:2:133826:74104,CC(Nc1cnc2ccsc2c1)c1c[nH]c2ncccc12,BSGASPGHHGXYLB-UHFFFAOYSA-N
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| 59967 |
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rxn:2:138385:71586,c1cc2[nH]c(CNC3CC(c4ccsc4)C3)cc2cn1,GYZADDHFTQWXLU-UHFFFAOYSA-N
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| 59968 |
+
rxn:2:139221:142194,COc1ncc(NC(C)c2ccc3n[se]nc3c2)nc1OC,MEUPXPBFLHNCCE-UHFFFAOYSA-N
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| 59969 |
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rxn:2:140004:95509,COc1cc2ncncc2cc1NC1CCc2ncsc21,UKLKNGSEXJPHGZ-UHFFFAOYSA-N
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| 59970 |
+
rxn:2:154005:90439,CSC1CCC1Nc1ccc2nc3ccc(=N)cc-3oc2c1,JUZVYHPDUFLWGE-UHFFFAOYSA-N
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| 59971 |
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rxn:2:165591:78452,CC1(C)CSCC(Nc2ccc3c(c2)ncc2c(=O)[nH][nH]c23)C1,CHCLUOOKOKIHFC-UHFFFAOYSA-N
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| 59972 |
+
rxn:2:165591:98900,CSCCCC(C)Nc1ccc2c(c1)ncc1c(=O)[nH][nH]c12,IVWGCDRRNBZEBP-UHFFFAOYSA-N
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| 59973 |
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rxn:2:167592:83650,CC(NCC#Cc1cnc2[nH]c(=O)oc2c1)c1ccsc1,XHJHCATYLBJFPP-UHFFFAOYSA-N
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| 59974 |
+
rxn:2:68699:98900,CSCCCC(C)Nc1c[nH]c2nc(C)cc(C)c12,GLEFHUHLFZAYKS-UHFFFAOYSA-N
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| 59975 |
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rxn:2:69695:120877,CC(NC[C@@H]1C[C@H]1c1ccsc1)c1cnc2[nH]ccc2n1,GEIXWBALRGSNOW-OLPBLLBXSA-N
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| 59976 |
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rxn:2:69859:165180,CC(N[C@H]1CC[Se]C1)c1ccc(-c2ccc3ncoc3c2)s1,UOXIQHQJBSAGSP-YUZLPWPTSA-N
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| 59977 |
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rxn:2:78338:93522,COCc1cc2cc(NC3CC4CSCC4C3)cnc2[nH]1,DMNVRJGLYCYNKB-UHFFFAOYSA-N
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| 59978 |
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rxn:2:79347:130954,Cc1cc(C)c2cc(NC3CCC4(CC3)CSC4)cnc2n1,AGLNNOUIQKKRLJ-UHFFFAOYSA-N
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| 59979 |
+
rxn:2:79829:71276,CSC[C@H]1CC[C@@H](NC(C)c2cnc3[nH]ncc3c2)C1,JBSDDEYDGKAOGX-SAQKRVJRSA-N
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| 59980 |
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rxn:2:81039:95192,O=c1[nH]ccc2ncc(NC3CCC4(CSC4)C3)cc12,SVXRZJFGHMRROH-UHFFFAOYSA-N
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| 59981 |
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rxn:2:95046:92027,CC(Nc1nc2nccnc2[nH]1)c1csc(-c2ccco2)c1,QWHRRFMNUDAQEX-UHFFFAOYSA-N
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| 59982 |
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rxn:2:99234:144730,C[Se]c1ccc(NC(C)c2cnc3nccnc3c2C)cc1,MJMCVSYFBIKIBY-UHFFFAOYSA-N
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