Added 289 molecules from epoch 17443 for O15379

O15379_molecules.csv

@@ -32009,3 +32009,292 @@ rxn:3:8620:49937:100499,CCCC(NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2
 rxn:3:8620:49937:133301,CCC1(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2(F)F)CC1,RUZQKSNPGQZAQF-UHFFFAOYSA-N
 rxn:3:8620:59842:124708,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NC4(c5ccsc5)CC4)C3)nn2)CCC(F)(F)CC1,XIVGBNYUVQLLRP-HKUYNNGSSA-N
 rxn:3:8620:59842:68359,CCC(CC)Cc1ccc(NC(=O)[C@H]2CC=C[C@H](n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2)cc1,LVBSDSUZYXWXHH-ZCYQVOJMSA-N
+rxn:1:10582:60331,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(CS(=O)C2CCOCC2)nn1,DKSORVWZBZGCMM-UHFFFAOYSA-N
+rxn:1:10649:62271,CN(C)C(=O)Nc1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,NVGFFJKFDQUDOK-UHFFFAOYSA-N
+rxn:1:10682:49466,CC(=O)n1ncc2c(C(=O)Nc3cccc(-c4cn(C5CCN(S(=O)(=O)C6CCCCC6)CC5)nn4)c3)cccc21,YZMKNYACRPGHOZ-UHFFFAOYSA-N
+rxn:1:11002:63947,O=C1CC(Cn2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(Br)cc3)nn2)CN1C(CO)CO,OSTOAKMZKPQZRQ-UHFFFAOYSA-N
+rxn:1:11170:52490,CC1CCCCC1N(Cc1cn(CCC2CC2c2ncccc2C(=O)O)nn1)S(=O)(=O)c1cccs1,SKGVLPHTATXEJV-UHFFFAOYSA-N
+rxn:1:11170:52491,CC1CCCCC1N(Cc1cn(CCC2CC2c2ccnc(C(=O)O)c2)nn1)S(=O)(=O)c1cccs1,VJMGGOYQTQMHHN-UHFFFAOYSA-N
+rxn:1:11170:65370,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3cccnc3O)C2)nn1)S(=O)(=O)c1cccs1,NAODCDYJLHCUKE-UHFFFAOYSA-N
+rxn:1:11228:60141,CC(C)n1nc2c(c1CCn1cc(CN(C3CCCC3)S(=O)(=O)N(C)C)nn1)CSCC2,QRTQJWHBSXWGMT-UHFFFAOYSA-N
+rxn:1:11278:62052,CS(=O)(=O)N(Cc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1)c1ccc(Cl)cn1,JQMATZQYZBJXPY-UHFFFAOYSA-N
+rxn:1:11:59586,CC1(C)OB(C(F)=C(Cn2cc(-c3ccc(N4CCNCC4)nn3)nn2)c2cccc([N+](=O)[O-])c2)OC1(C)C,QQNWXWPPPWWVTL-UHFFFAOYSA-N
+rxn:1:12096:49484,N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3cnc4[nH]cc(-c5cn(C6CCCCC6OC(=O)Cl)nn5)cc3-4)cccc21,KAHSTGJFHVDXLC-QLLQDVQFSA-N
+rxn:1:12748:58729,CCCC(=O)N=c1sc2cc(Br)ccc2n1Cc1cn(CCN(C)C2CCC(CC)CC2)nn1,SMOPXWDBCWORKP-UHFFFAOYSA-N
+rxn:1:12892:59721,CN1CCC(CNC(=O)c2ccc(-c3cn(C4CCN(S(=O)(=O)c5cccnc5)CC4)nn3)cc2)CC1,SNVAXYMRXDKXNY-UHFFFAOYSA-N
+rxn:1:12974:57225,CCCN1CCN(CCn2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1,YPGIAILYHJVMBD-UHFFFAOYSA-N
+rxn:1:13022:54264,CN1CCC(N(C)C(=O)c2ccc(-c3cn(CCC4C(c5cnc6c(c5)CCN6)C4(F)F)nn3)cc2)CC1,BAGZJPGOBKYXKB-UHFFFAOYSA-N
+rxn:1:13450:57225,CCCN1CCN(CCn2cc(-c3ccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)cc3)nn2)CC1,MIHAQVSNCBTSOM-UHFFFAOYSA-N
+rxn:1:15679:49470,CCC(CC)n1cc(-c2cn(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)c(C2CCCCC2)n1,AZQYUTQWSPLCAC-UHFFFAOYSA-N
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+rxn:1:16316:46779,COc1ccc(-n2ncc(-c3cn(-c4ccccc4C=C(CO)B4OC(C)(C)C(C)(C)O4)nn3)c2C2CCCC2)cc1,HXOHUEYAYKRAFD-UHFFFAOYSA-N
+rxn:1:16593:46779,COc1cccc(-n2ncc(-c3cn(-c4ccccc4C=C(CO)B4OC(C)(C)C(C)(C)O4)nn3)c2C2CCCC2)c1,JSQANCFOULANDM-UHFFFAOYSA-N
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+rxn:1:1917:61935,CC(C)(C)[Si](C)(C)OCCn1cc(C(NC2=NCCO2)C2CC2)nn1,KNOHJNXERGTVQP-UHFFFAOYSA-N
+rxn:1:19261:49466,CC(c1cccc([N+](=O)[O-])c1)n1cc(-c2cn(C3CCN(S(=O)(=O)C4CCCCC4)CC3)nn2)cn1,CLIURJXILZSSDA-UHFFFAOYSA-N
+rxn:1:19266:49466,CC(c1cc([N+](=O)[O-])ccc1F)n1cc(-c2cn(C3CCN(S(=O)(=O)C4CCCCC4)CC3)nn2)cn1,ITWKNKBXFLVQOI-UHFFFAOYSA-N
+rxn:1:20600:60895,CCC(c1cc(F)ccc1C)n1nc(C2CC2)cc1-c1cn(CC(=O)N2CC(OC)C(OC)C2)nn1,ZZFLHIPABYDZKF-UHFFFAOYSA-N
+rxn:1:20696:53715,CN(C)C(=O)NC1(c2cn(CCC3C(c4cccnc4C#N)C3(F)F)nn2)CCCCC1,WYHMOJPSQAIVCK-UHFFFAOYSA-N
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+rxn:1:20827:61601,CC(c1ccc(C2CC2)cc1)n1nc(C2CCC2)cc1-c1cn(C2CC(C)(C)N(O)C(C)(C)C2)nn1,XCTKZQLPZCGMIN-UHFFFAOYSA-N
+rxn:1:20853:51343,CC(C1CCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,GVTXYOCFCYISCJ-UHFFFAOYSA-N
+rxn:1:20875:61601,CC(c1cccc(C2CC2)c1)n1nc(C2CCC2)cc1-c1cn(C2CC(C)(C)N(O)C(C)(C)C2)nn1,FOMJAPFGGJTRKA-UHFFFAOYSA-N
+rxn:1:20899:61129,CCC(CC)C(=O)N1CC(n2cc(-c3cc(C4CCC4)nn3C(C)c3cc(F)cc(OC)c3)nn2)C1,VTCJLNWFFKIEEX-UHFFFAOYSA-N
+rxn:1:20912:60896,CCC(c1ccc(F)cc1C)n1nc(C2CCC2)cc1-c1cn(CCN2CC(OC)C(OC)C2)nn1,IHZQWDFMMVSJKC-UHFFFAOYSA-N
+rxn:1:21129:51343,CCC(c1ccc(C)c(C)c1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,QVDTZEYZJWLULM-UHFFFAOYSA-N
+rxn:1:21178:50433,CCC(c1cccc(C)c1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3c[nH]c(C(=O)OC)c3)C2(F)F)nn1,RHGAJUXWTXEFNF-UHFFFAOYSA-N
+rxn:1:21178:51467,CCC(c1cccc(C)c1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc(C(=O)OC)c4cc[nH]c4c3)C2(F)F)nn1,REQSXKQHQDQATB-UHFFFAOYSA-N
+rxn:1:21216:61601,CC(c1ccccc1F)n1nc(C2CCCCC2)cc1-c1cn(C2CC(C)(C)N(O)C(C)(C)C2)nn1,MKLWFYIWXDPCBD-UHFFFAOYSA-N
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+rxn:1:22786:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(I)c3O)c2)nn1)C1CCS(=O)(=O)C1,PENVVNKXXSQXQZ-UHFFFAOYSA-N
+rxn:1:22798:65015,CC(C)Cc1nn(-c2cncc(-c3cn(CC4CC(=O)N(c5sc6c(c5C#N)CCCCC6)C4)nn3)c2)c(Br)c1I,JNJWVUVDVYYVDB-UHFFFAOYSA-N
+rxn:1:22800:65015,CC(C)Cc1nn(-c2cncc(-c3cn(CC4CC(=O)N(c5sc6c(c5C#N)CCCCC6)C4)nn3)c2)c(I)c1Br,GQCQVJSVUKINRX-UHFFFAOYSA-N
+rxn:1:22830:57137,CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cncc(-n3nc(C4CCCC4)c(I)c3N)c2)nn1,MLTLVNJUXJCKOX-UHFFFAOYSA-N
+rxn:1:24807:49428,CC(C)COCn1cc(C2CC(=O)N(CC(C)(C)CN(C)C)C2)nn1,IWLIWAIDTFTOOL-UHFFFAOYSA-N
+rxn:1:25079:45353,CN(C)C1(CN2CC(c3cn(CCC=Cc4ccsc4Cl)nn3)CC2=O)CCOCC1,GUTDJKYECKWKPJ-UHFFFAOYSA-N
+rxn:1:25079:58056,CN(C)C1(CN2CC(c3cn(CCCc4ccc5nc(Cl)sc5c4)nn3)CC2=O)CCOCC1,JGDIFCHVUWACQP-UHFFFAOYSA-N
+rxn:1:25079:59398,CN(C)C1(CN2CC(c3cn(CCCCc4ccc5nc(Cl)sc5c4)nn3)CC2=O)CCOCC1,LPHMIWXOIAMUIM-UHFFFAOYSA-N
+rxn:1:28130:49482,N#CN1CCCC1C(=O)N1CCc2c(-c3c[nH]c4ncc(-c5cn(C6CCCC6OC(=O)Cl)nn5)cc34)cccc21,FHIZLZLSQTZDJX-UHFFFAOYSA-N
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+rxn:1:33319:54288,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3cnc4nc[nH]c4c3)C2(F)F)nn1,AZOGYLOODQUFJJ-UHFFFAOYSA-N
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