Added 33 molecules from epoch 21702 for P23977

P23977_molecules.csv

@@ -43927,3 +43927,36 @@ rxn:2:93644:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)Nc1cn[nH]n1,SSGPONZQHIJNBP-UHFFF
 rxn:2:93795:102419,CCCC(Cc1ccc2ccccc2c1)NCCc1c[nH]c(C)n1,WRTIUYBIJALLMO-UHFFFAOYSA-N
 rxn:2:97024:170235,Cc1cccc(-c2ccc3oc(C(C)NCCC#Cc4cscn4)cc3c2)c1,HCEWCOCWYKBZLM-UHFFFAOYSA-N
 rxn:2:97374:120822,COC(C)(C)CCCNC(C)c1ccc(-c2ccc(C)s2)cc1,QOSNVNFDERPXLQ-UHFFFAOYSA-N
+rxn:1:65513:28956,NCCCCc1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,FOFVYMNJXBVDRB-UHFFFAOYSA-N
+rxn:2:107112:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3C3CCCOC3)cc2)cs1,KDSLYSQLNCUETG-UHFFFAOYSA-N
+rxn:2:108268:152446,CC(Nc1cccc(S(=O)(=O)C(C)C)c1)c1ccc(C#Cc2ccccc2)cc1,BEMCDEJCCDOCBP-UHFFFAOYSA-N
+rxn:2:109607:171179,CCC(NCCCCC1N=N1)c1ccc(-c2ccc(C)o2)cc1C,ZPYOHJRZJLIIHD-UHFFFAOYSA-N
+rxn:2:110093:170060,Cc1cc(-c2ccc(CCC(C)NCCOc3cccc(-c4ncn[nH]4)c3)cc2)cs1,WBILVAHPEWSNSC-UHFFFAOYSA-N
+rxn:2:113731:108959,CC(NCCCc1cnc2[nH]ccc2c1)c1ccc(-c2cccs2)cc1,NKXUBZWIGSJDEV-UHFFFAOYSA-N
+rxn:2:118048:171231,CCOc1cc(C)c(-c2csc(C(C)NC3CCC(COC)OC3)c2)cc1C,PQXVVRSIFODRSH-UHFFFAOYSA-N
+rxn:2:119773:170060,Cc1ccc(OCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,RQKOJDISISMUSU-UHFFFAOYSA-N
+rxn:2:120356:97346,Cc1nc(C#CCCNC2CCC(c3ccsc3)CC2)c[nH]1,UKKXYKLHVCGHQP-UHFFFAOYSA-N
+rxn:2:120365:95635,FC1CC(c2ccccc2)CCC1NCCC#Cc1ccoc1,YSNPUUCYABKRSQ-UHFFFAOYSA-N
+rxn:2:125198:171231,CCOc1cc(C)c(-c2csc(C(C)NCCn3ncnn3)c2)cc1C,NHNGIJCTUVEFEE-UHFFFAOYSA-N
+rxn:2:126873:156984,C=C=CCCNC(C)c1ccc(-c2cc(OC)cs2)cc1C,NLPIGMWMTKTAPW-UHFFFAOYSA-N
+rxn:2:127204:170813,CCC(NCCCOS(C)(=O)=O)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,WOMOSXFWTKMJJQ-UHFFFAOYSA-N
+rxn:2:127642:170235,COCCO[C@H]1CC[C@@H](NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)C1,IKBPGNZXKPVONT-ZPUYXXQXSA-N
+rxn:2:130523:172751,CO[C@H]1COC[C@@H](NC(C)c2ccc(-c3ccc(-c4cccs4)s3)cc2C)C1,BLTQCEQWTNGPAH-NGFYBIIMSA-N
+rxn:2:131711:169810,COc1ccc2oc(-c3ccc(C(C)NCCCCS(C)(=N)=O)c(C)c3)cc2c1,YRCLBAUDVZYTBT-UHFFFAOYSA-N
+rxn:2:133307:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)NCCc1cn[nH]n1,QRIWPIWBUWDBMO-UHFFFAOYSA-N
+rxn:2:136575:170060,COCc1ccnc(CCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,FESOEHRBQFQYOD-UHFFFAOYSA-N
+rxn:2:138255:94314,Cc1cccc2c(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)csc12,QQJXDNWGESOAQL-AYHJJNSGSA-N
+rxn:2:139105:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCC#Cc1ncc[nH]1,WKVUBKVBUQVKIE-UHFFFAOYSA-N
+rxn:2:140546:169412,Cc1csc(-c2ccc(CCC(C)NCc3nc(=O)o[nH]3)cc2)c1,BILMAYRLALKHHI-UHFFFAOYSA-N
+rxn:2:141290:73940,CCCCC(NC(CSC)c1ccc(C)c(C)c1)c1nc[nH]n1,WVTHLTFGUKXXDF-UHFFFAOYSA-N
+rxn:2:145188:126659,Cc1ccc2sc(C(C)NCCC#Cc3ccc4c(=O)[nH]cnc4c3)cc2c1,FQEUFHABGOPAIF-UHFFFAOYSA-N
+rxn:2:66304:102373,CSc1ncc(C#CCCNC2CC(c3ccc(C)s3)C2)cn1,WFGDQEBNENTRJW-UHFFFAOYSA-N
+rxn:2:67883:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)Nc1cncs1,TUPUAFVSPIDUBL-UHFFFAOYSA-N
+rxn:2:83579:172927,CC(NCCCc1nn[nH]n1)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,IYHSOVLMHNOMAY-UHFFFAOYSA-N
+rxn:2:85122:156984,COc1csc(-c2ccc(C(C)NCCc3c[nH]nn3)c(C)c2)c1,YBGQGEWQJJJXMH-UHFFFAOYSA-N
+rxn:2:86811:140099,CCC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2cccs2)s1,IBNIXGVGNOMESZ-UHFFFAOYSA-N
+rxn:2:90355:170026,CCCC(NCCCN(C)C)c1ccc(-c2cc3cc(C)ccc3s2)cc1,CPBOZYKREYPDJL-UHFFFAOYSA-N
+rxn:2:93504:156984,COc1csc(-c2ccc(C(C)NCCCc3cocn3)c(C)c2)c1,LAXKWATZXDJLMD-UHFFFAOYSA-N
+rxn:2:93504:173016,CC(NCCCc1cocn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,VJNPRRJPVROTAN-UHFFFAOYSA-N
+rxn:2:93644:171423,c1ccc2oc(-c3ccc(C(Nc4cn[nH]n4)C4CC4)cc3)cc2c1,JSHMUVKRKPFPCU-UHFFFAOYSA-N
+rxn:2:97980:170813,CCC(Nc1ccsn1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,RZPDGUGWVQHVGM-UHFFFAOYSA-N