Added 37 molecules from epoch 21660 for P23977

P23977_molecules.csv

@@ -42490,3 +42490,40 @@ rxn:2:93644:173095,CC(Nc1cn[nH]n1)c1ccc2sc3ccccc3c2c1,HSBCDEVFQBPXEN-UHFFFAOYSA-
 rxn:2:96304:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4ncnn4c3)cc2)cs1,MPIJDOPZLPCEJY-UHFFFAOYSA-N
 rxn:2:97063:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCSc1cnn[nH]1,KAJITYGLPAWZSS-UHFFFAOYSA-N
 rxn:2:97374:170060,COC(C)(C)CCCNC(C)CCc1ccc(-c2csc(C)c2)cc1,DAAUGVDTVZQFNR-UHFFFAOYSA-N
+rxn:1:60111:3265,CNC(C)Cc1cn(I)nn1,DMHURQDENVEONC-UHFFFAOYSA-N
+rxn:1:64149:28813,NCCC1CC1c1ccc(-c2cn(Cc3ccc(I)cc3)nn2)cc1,XXSODCMFKMWNBU-UHFFFAOYSA-N
+rxn:2:103172:169412,Cc1csc(-c2ccc(CCC(C)NC[C@@H]3CC[C@H]3c3cnn[nH]3)cc2)c1,SDEHXOFTSYFQDB-KHMGXFTDSA-N
+rxn:2:103739:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3c3cnc4cn[nH]c4c3)cc2)cs1,NCLYEOSWAYSUNP-UHFFFAOYSA-N
+rxn:2:110352:126659,CCNC(C)c1cc2cc(C)ccc2s1,FTGMDVJIINCKML-UHFFFAOYSA-N
+rxn:2:110352:146037,CCNC(Oc1ccc2c(c1)OCC2=O)c1ccccc1,GWNGZUIJLFVSGW-UHFFFAOYSA-N
+rxn:2:110352:159692,CCNC1CCc2cc(-c3cccs3)ccc21,ZXWNGWGHTIZKEZ-UHFFFAOYSA-N
+rxn:2:110352:172904,CCNC1COc2cc(-c3ccc(-c4cccs4)s3)ccc21,WGNQIGCFRUFBCR-UHFFFAOYSA-N
+rxn:2:110622:142183,Cc1cc(NCC=N)cc2ccccc12,ARIMKFBKYDZXRZ-UHFFFAOYSA-N
+rxn:2:118218:141988,Cc1cc(-c2ccc(C(C)NCCCc3cnc4cc[nH]c4c3)s2)cs1,WHOHYQIGPPQWTK-UHFFFAOYSA-N
+rxn:2:122351:84708,CCN(C)CC(Nc1c[nH]nn1)c1ccc(C)cc1C,KSQZAASTTMVYNO-UHFFFAOYSA-N
+rxn:2:125739:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)CSc3ncn[nH]3)cc2)cs1,VNRGSJGJTIHILW-UHFFFAOYSA-N
+rxn:2:126579:158814,Cc1cc(C#CCNC(C)c2ccc3oc(=S)oc3c2)cs1,LIDWVVGZTJBOGD-UHFFFAOYSA-N
+rxn:2:127440:147222,Cc1cc(C(C)Nc2cnns2)ccc1OCc1ccccc1,FOWUWJCKRISHCV-UHFFFAOYSA-N
+rxn:2:131506:170235,Cc1cccc(-c2ccc3oc(C(C)NCCc4ccno4)cc3c2)c1,LAGJFYMPEBNMSA-UHFFFAOYSA-N
+rxn:2:131517:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)S(=O)(=O)C3CCCC3)cc2)cs1,ONQFRQFGGZGRME-UHFFFAOYSA-N
+rxn:2:131711:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCS(C)(=N)=O)c2)cc1C,BOJMFGKRYASPCD-UHFFFAOYSA-N
+rxn:2:133307:171669,Cc1cc(-c2ccc(C(C)NCCc3cn[nH]n3)cc2)c(C)s1,YIJFJWMJJHCDQW-UHFFFAOYSA-N
+rxn:2:135811:70192,Cc1ccc(OCCC(C)NCCOc2cn[nH]c2)c(C)c1,YIUQVDLQRXIGHT-UHFFFAOYSA-N
+rxn:2:138606:170060,Cc1cc(-c2ccc(CCC(C)NCC(C(C)C)n3cnnn3)cc2)cs1,SQBPHGVGAIJWTQ-UHFFFAOYSA-N
+rxn:2:141397:169042,CNC1CCc2cc(-c3ccc(-c4ccccc4)nc3)ccc21,QRARMTJTPMOELD-UHFFFAOYSA-N
+rxn:2:141397:170514,CNC(C)c1ccc(-c2ccc(OC3CC3)cc2)s1,OVRNXKSPKVJNCL-UHFFFAOYSA-N
+rxn:2:141397:170962,CCCOc1ccc(-c2cc(C(C)NC)cs2)cc1,UFIBLLFRDKZUOS-UHFFFAOYSA-N
+rxn:2:66260:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3ccsc3CN(C)C)cc2)cs1,STZJPFKLGJLTHW-UHFFFAOYSA-N
+rxn:2:70925:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3ccc[nH]3)cc2)c1,SIEOTXRQTXKWPX-UHFFFAOYSA-N
+rxn:2:72890:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3c[nH]cn3)cc2)c1,MQPDEIVBGZWBOM-UHFFFAOYSA-N
+rxn:2:75457:170060,COc1ccc2c(c1)OCC(NC(C)CCc1ccc(-c3csc(C)c3)cc1)C2,BWBIQVRJMQJMEC-UHFFFAOYSA-N
+rxn:2:76822:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCS(C)(=O)=O,RRKAPSYZBPBSIF-UHFFFAOYSA-N
+rxn:2:82511:96010,CC(NCCC#Cc1ccc2[nH]cnc2c1)c1ccc(-c2ccsc2)cc1,SUHXKYUOIDXJIK-UHFFFAOYSA-N
+rxn:2:83604:169286,Cc1ccc2sc(-c3cccc(C(C)NCC4N=N4)c3)cc2c1,GRUUKMXJIOBUGN-UHFFFAOYSA-N
+rxn:2:84138:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCN=S1(=O)CCCC1,YVGKSZRMKYIRAT-UHFFFAOYSA-N
+rxn:2:88919:170060,Cc1cc(-c2ccc(CCC(C)NCCCC3(C)N=N3)cc2)cs1,LXNLAEISNWMOEH-UHFFFAOYSA-N
+rxn:2:90698:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)(C)c3n[nH]c(C)n3)cc2)c1,DPIFFEWAUNZJCL-UHFFFAOYSA-N
+rxn:2:94402:123403,Cc1ccc2cc(C(C)NCC3CCC(CN4CCCC4)CC3)sc2c1,QBTSLPLDFHGGBQ-UHFFFAOYSA-N
+rxn:2:95355:150277,COc1csc(-c2ccc(CCC(C)NCCCc3c[nH]nc3C)cc2)c1,QKVHLTYOSCNTNJ-UHFFFAOYSA-N
+rxn:2:96304:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3cnc4ncnn4c3)cc2)c1,HKWDNJBKOWPBOI-UHFFFAOYSA-N
+rxn:2:99048:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CCC(S(C)(=N)=O)C1,DBBFBSZDWIIBSM-UHFFFAOYSA-N