Added 39 molecules from epoch 20789 for P23977

P23977_molecules.csv

@@ -41178,3 +41178,42 @@ rxn:2:72760:113157,C[C@@]12CCC(Nc3cnc(C#C[Si](C)(C)C)nc3)[C@@H]1C2,MOVFFMDKTDZGE
 rxn:2:73269:79718,CSc1cnnc(NC(C)c2cnc3[nH]ccc3c2)c1,LYTQEDYJXLKGGW-UHFFFAOYSA-N
 rxn:2:79162:71586,CCc1nc2cnnc(NC3CC(c4ccsc4)C3)c2[nH]1,XMBCOHJNKCEBQP-UHFFFAOYSA-N
 rxn:2:80386:118376,Cc1cc2[nH]ccc2cc1NC1CCc2ccsc2C1,IJZSCXMTMXWAAI-UHFFFAOYSA-N
+rxn:1:40087:3249,Cc1cnc(N)c(C=CCn2cc(-c3ncc(Br)s3)nn2)c1,VIXKIXDLUNEDKI-UHFFFAOYSA-N
+rxn:1:41458:31588,Cc1nc(C#N)ccc1-c1cn(-c2ccc(F)cc2Br)nn1,GVXKMJGCPWUMNH-UHFFFAOYSA-N
+rxn:1:41745:31180,NCc1ccncc1-c1cn(-c2ccc(Cl)c(Br)c2)nn1,KTDGNOCPLUKRJI-UHFFFAOYSA-N
+rxn:1:41791:28139,Nc1ncc(-c2cn(CC=Cc3cc(Br)cs3)nn2)c(N)n1,AVNRVIXVEKGVCD-UHFFFAOYSA-N
+rxn:1:41907:31333,Cc1cc(N)cnc1-c1cn(-c2ccc(I)cc2Cl)nn1,PGEWTQZGMIVCPA-UHFFFAOYSA-N
+rxn:1:41961:38682,O=Cc1sccc1C#CCn1cc(-c2cnc3nc[nH]c3c2)nn1,HNWGRQMKWDKSPK-UHFFFAOYSA-N
+rxn:1:42018:38682,Cc1ccc(I)cc1-n1cc(-c2cnc3nc[nH]c3c2)nn1,VHDSNQGCHVDVSY-UHFFFAOYSA-N
+rxn:1:45137:31198,CCc1cc(-n2cc(-c3cnc(Cl)cc3OC)nn2)ccc1O,RVPPKBNIOUJPFA-UHFFFAOYSA-N
+rxn:1:49659:31624,CCCCCn1cc(-c2cc(Cl)cc(C=O)c2)nn1,JECJVOYFZYKGSL-UHFFFAOYSA-N
+rxn:1:52141:28265,Nc1nc(Cl)ncc1C1CC1CCn1cc(-c2cscc2Br)nn1,WUYZXQXUDJLUMT-UHFFFAOYSA-N
+rxn:1:54960:20594,Nc1cc(Cl)ncc1-c1cn(CC2CC2c2cscc2Br)nn1,GIYMHDJITRYRNM-UHFFFAOYSA-N
+rxn:1:55893:31947,Oc1c(Cl)cc(-c2cn(CC3C4CCCC43)nn2)cc1Cl,MUGXDVGYKLPAPV-UHFFFAOYSA-N
+rxn:1:56986:38924,SCCCc1cccc(-n2cc(-c3cnc(Cl)cn3)nn2)c1,VCDGSHZTFSHHKF-UHFFFAOYSA-N
+rxn:1:57043:27779,Cc1nc(-c2cn(CCCc3csc(Br)n3)nn2)nc2[nH]cnc12,VSYIBPAFUMVYEI-UHFFFAOYSA-N
+rxn:1:59698:31500,COc1ccc(-n2cc(-c3ccc([C@@H](C)N)c(Cl)c3)nn2)cc1F,NGWRPZHBHHNWOZ-SNVBAGLBSA-N
+rxn:1:59945:39073,COc1ccc(-n2cc(-c3ncc(Cl)cc3N)nn2)cc1C,ZJURMHIZWCNLCV-UHFFFAOYSA-N
+rxn:1:60048:20555,Nc1c(-c2cn(C=C3CCCCC3)nn2)cnc(Cl)c1I,MKQOTNPJMKHRJF-UHFFFAOYSA-N
+rxn:1:61533:32512,Clc1nc(Cn2cc(-c3ccnc(NC4CC4)c3Cl)nn2)cs1,MVBPCLKWKSGDCD-UHFFFAOYSA-N
+rxn:1:62588:7779,COc1ccc2c(-c3cn(C4CCCC4I)nn3)c[nH]c2c1,JCDGSTNIDBATNI-UHFFFAOYSA-N
+rxn:1:63670:31500,C[C@@H](N)c1ccc(-c2cn(Cc3ccc(Br)s3)nn2)cc1Cl,XUMDGNJPBZBSNV-SECBINFHSA-N
+rxn:2:101355:83650,CC(NCC#Cc1cnc2cc[nH]c2c1)c1ccsc1,GMQGFAIMTPOVDF-UHFFFAOYSA-N
+rxn:2:103380:71586,c1cc(C2CC(Nc3cc(-c4cn[nH]c4)[nH]n3)C2)cs1,WBBFCYSWDRNNJH-UHFFFAOYSA-N
+rxn:2:108600:91056,CN1CC(Nc2cncc(-c3cn[nH]c3)c2)c2cscc21,MFRBAWBRNWTWFQ-UHFFFAOYSA-N
+rxn:2:121389:113277,COc1nc(NC(C)c2cc3[nH]ncc3s2)nc(SC)n1,KLXWYDYLANAPGC-UHFFFAOYSA-N
+rxn:2:127845:107564,Cc1cc(C(C)Nc2cc(C)c3[nH]cnc3c2)c(C)s1,SDTFLJWHFLNFGX-UHFFFAOYSA-N
+rxn:2:127937:110880,Cc1cc(C(C)NCc2cc3c(s2)CSC3)cn2cnnc12,YCRQCZZOYRMRHD-UHFFFAOYSA-N
+rxn:2:133625:142194,CC(NCCc1nn(C)c2ccsc12)c1ccc2n[se]nc2c1,PVTZDEFABKERNB-UHFFFAOYSA-N
+rxn:2:136852:112875,Cn1ccc2c(NC3CC(C#Cc4cccs4)C3)cncc21,QGEXQAVFLAKXOL-UHFFFAOYSA-N
+rxn:2:139649:140670,CSc1ncc2c(NC3CCC(C)(C)C3)snc2n1,VLCIRPYVYCMKRY-UHFFFAOYSA-N
+rxn:2:141252:71586,Cc1nnc2[nH]nc(NC3CC(c4ccsc4)C3)c2c1C,ILTYDZFFTAEFBE-UHFFFAOYSA-N
+rxn:2:165591:138926,O=c1[nH][nH]c2c1cnc1cc(NC3CC4(CC4)C3)ccc12,PMLIIUOZSZJQJZ-UHFFFAOYSA-N
+rxn:2:68699:113297,Cc1cc(C)c2c(NC3COc4cscc43)c[nH]c2n1,LOWXQDFSTASMTC-UHFFFAOYSA-N
+rxn:2:71367:87505,Cc1cc(CNC(C)c2cnc3[nH]nc(C)c3c2)cs1,MTBUUWDBKYLGTO-UHFFFAOYSA-N
+rxn:2:71447:99294,Cc1c(NCC2CCc3scnc32)ccc2ncsc12,IXPHROGMCQTWCJ-UHFFFAOYSA-N
+rxn:2:78535:88023,CC(NCC#Cc1cnc2cn[nH]c2c1)c1cc[se]c1,ZXAROUFWSZFKHA-UHFFFAOYSA-N
+rxn:2:80092:106742,CSc1ccc2c(c1)CCC2Nc1cnc2[nH]ncc2c1,TWLNNFQVYHJITR-UHFFFAOYSA-N
+rxn:2:81892:71586,c1cc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)ccn1,QNUMXALSAPPIMX-UHFFFAOYSA-N
+rxn:2:86339:71586,Cc1nnc(-c2ccc(NC3CC(c4ccsc4)C3)nc2)s1,FHUBQJRTYVEKMI-UHFFFAOYSA-N
+rxn:2:96886:125030,CSCC1CCC(Nc2cn3nnnc3cc2C)CC1,USESZOJDMHZTFX-UHFFFAOYSA-N