Added 38 molecules from epoch 21693 for P23977

P23977_molecules.csv

@@ -43608,3 +43608,41 @@ rxn:2:92382:172265,CC(Nc1cn[nH]c1)c1ccc(-c2ccc(-c3cccs3)s2)s1,PJZKWZPFZVJJSB-UHF
 rxn:2:92742:126659,Cc1ccc2sc(C(C)NCCCOC3CC3)cc2c1,OOSTXSMQZGVEEM-UHFFFAOYSA-N
 rxn:2:94771:172841,CC(Nn1cnnc1)c1cc(-c2ccc3sccc3c2)cs1,WSSZNPHNPRWFLV-UHFFFAOYSA-N
 rxn:2:97063:172618,CC(NCCSc1cnn[nH]1)c1cc(-c2cc3sccc3s2)cs1,AUAASRZMTVGNCQ-UHFFFAOYSA-N
+rxn:1:45229:661,N#Cc1cn(CCC#Cc2cc(Br)ccc2Br)nn1,BQDWWDHKYRUTED-UHFFFAOYSA-N
+rxn:2:100318:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cn[nH]c(=O)n3)c2)cc1C,JDZYBSFXYGMISS-UHFFFAOYSA-N
+rxn:2:100318:173095,CC(Nc1cn[nH]c(=O)n1)c1ccc2sc3ccccc3c2c1,WLGYWJXAZWVYIY-UHFFFAOYSA-N
+rxn:2:101450:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)Nc1cnsn1,GOJQCOJSPOHGHL-UHFFFAOYSA-N
+rxn:2:106992:150277,COc1csc(-c2ccc(CCC(C)NCCC3(S(C)(=O)=O)CC3)cc2)c1,YUOMBNONOCLSHO-UHFFFAOYSA-N
+rxn:2:108728:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NC(c1nnn[nH]1)C1CC1,OEWNVYBSLSULHH-UHFFFAOYSA-N
+rxn:2:109788:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1cn(C)cn1,ISROAHNGKONIIW-UHFFFAOYSA-N
+rxn:2:109895:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3nccn3C)cc2)c1,SPQKBABBCKTLRT-UHFFFAOYSA-N
+rxn:2:110352:83715,CCCCC(Cc1ccccc1)NCC,BPCMFOPCTABAHH-UHFFFAOYSA-N
+rxn:2:118350:170813,CCC(NCCCC1COC1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,RAWJFFQUOPVNCT-UHFFFAOYSA-N
+rxn:2:119995:135410,CCCCC(Cc1ccc(C)c(C)c1)NCCc1ccn(C)n1,AOKGQPWHLLMKMV-UHFFFAOYSA-N
+rxn:2:120564:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nnco3)cc2)c1,ZPCGRPMHMOEDHU-UHFFFAOYSA-N
+rxn:2:123716:169412,Cc1csc(-c2ccc(CCC(C)NCc3cnoc3)cc2)c1,JXNNOJJXTQUXNS-UHFFFAOYSA-N
+rxn:2:125968:84335,CCCC(Cc1cccc(C)c1)NCCCCc1cnn(C)c1,RWHWIWQBPNPGCB-UHFFFAOYSA-N
+rxn:2:126873:85300,C=C=CCCNC1CC2(Cc3ccccc3C2)C1,MPIKIRLLROCFBR-UHFFFAOYSA-N
+rxn:2:136572:142183,Cc1ccc2nc(NCC=N)cc(C)c2c1,REIVBFBQXLLHDB-UHFFFAOYSA-N
+rxn:2:141397:166934,CNC(C)c1ccc2c(OC)cccc2c1,SHUDNEVQSPKFDH-UHFFFAOYSA-N
+rxn:2:141397:172767,CNC(C)c1cc2cc(-c3ccccc3)ccc2o1,WJDCJVJLXMOFHJ-UHFFFAOYSA-N
+rxn:2:141397:65814,CNC(C)c1cccc(-c2ccc(C)s2)c1,GTZXAEQPMZNCAR-UHFFFAOYSA-N
+rxn:2:67187:170813,CCC(Nc1cncnc1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,QEJPVRRSZSOTMR-UHFFFAOYSA-N
+rxn:2:70925:123403,Cc1ccc2cc(C(C)NCCC3CC3c3ccc[nH]3)sc2c1,IEZJFQPVEYBTPW-UHFFFAOYSA-N
+rxn:2:72298:170060,Cc1ccc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,YDKSHYCXXLUQOQ-UHFFFAOYSA-N
+rxn:2:73959:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3ncc[nH]3)cc2)c1,LRVRHNMVWARXPZ-UHFFFAOYSA-N
+rxn:2:76896:91582,Cc1ccc(C2CC(NCCC#Cc3cccnc3)C2)cc1,LTFBXSRWEHBOOW-UHFFFAOYSA-N
+rxn:2:79984:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)Nc1ccnnc1,OHXPSHSPQZDXBB-UHFFFAOYSA-N
+rxn:2:81194:170892,CC(NCCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cc3sccc3s2)s1,LKEUHOLGKHGNLW-UHFFFAOYSA-N
+rxn:2:85858:170060,Cc1cc(-c2ccc(CCC(C)NCc3ccc(OC4CCC4)nc3)cc2)cs1,NYHDDJDRPGJOOU-UHFFFAOYSA-N
+rxn:2:86811:106287,CC(NC1CCC(CC2CCN(C)C2)CC1)c1cccc2sccc12,JWSCNSDUUNWGSS-UHFFFAOYSA-N
+rxn:2:87579:169666,CC(NCCCCc1ccn(C)n1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,LEDPHOFIMFNNGA-UHFFFAOYSA-N
+rxn:2:88299:102373,Cc1ccc(C2CC(NCCC#Cc3ncc(C)s3)C2)s1,JFEMRDDWKMXCKC-UHFFFAOYSA-N
+rxn:2:91717:88103,COCC(Nc1[nH]ncc1N=O)c1cc2ccccc2s1,AXRQMNKNCSBEQE-UHFFFAOYSA-N
+rxn:2:91999:170235,COCCO[C@H]1C[C@H](NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)C1,SEZFNMDLOCZVMQ-HHXQIICLSA-N
+rxn:2:92382:117186,CC(Nc1cn[nH]c1)c1ccc2sccc2c1,VPVKAYJLYWSXJN-UHFFFAOYSA-N
+rxn:2:92382:88103,COCC(Nc1cn[nH]c1)c1cc2ccccc2s1,AMVLHAMOOCOBKZ-UHFFFAOYSA-N
+rxn:2:92926:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCc5ncoc54)cc3c2)c1,IUCRNMLVXKRTIC-UHFFFAOYSA-N
+rxn:2:93644:171218,CCC(Nc1cn[nH]n1)c1ccc(-c2ccc3sccc3c2)cc1,IKBFDUQRJNSXLK-UHFFFAOYSA-N
+rxn:2:93644:171426,CCC(Nc1cn[nH]n1)c1ccc(-c2cc(C)c(OC)cc2C)s1,BZDONEBQGKPXOK-UHFFFAOYSA-N
+rxn:2:95743:170026,CCCC(NCCN1CCCO1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,ZOMDKVVWOXQTGZ-UHFFFAOYSA-N