Added 31 molecules from epoch 19971 for P31645

P31645_molecules.csv

@@ -47412,3 +47412,34 @@ rxn:1:60009:30851,Cc1ncncc1C(=O)N1CCCOc2ccccc2-c2cncc(c2)C(=O)N(C)CC2(CCC1)CCN(C
 rxn:1:60471:30185,Cc1nn2c(C)c1CN(Cc1ccc3cccnc3c1)CCN(C(=O)c1cn(-c3ccccc3C(F)(F)c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)nn1)CCNC(=O)c1cccc(c1)OCCC2,XYUNJEVILXGQPF-UHFFFAOYSA-N
 rxn:1:61532:10449,CCc1sc2ncnc(SCc3cn(Cc4nccc(OC)c4OC)nn3)c2c1-c1ccc(Br)cc1,CVWOPYVBNXESGD-UHFFFAOYSA-N
 rxn:1:64661:15196,O=C1CC(Cn2cc(-c3cc(=O)[nH]n3-c3cccc(Br)c3)nn2)CN1c1ccc(-c2ccc(F)cc2)cc1,SDOANBUXWAGANR-UHFFFAOYSA-N
+rxn:1:39926:222,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4ccc(Oc5ccc(C)cc5)nc4)nn3)c12,PUFPDSBNJZOCBN-UHFFFAOYSA-N
+rxn:1:39926:38761,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4cnc(N)c(Cc5ccccc5)n4)nn3)c12,GQPWYHTVQBOFCI-UHFFFAOYSA-N
+rxn:1:39926:7143,COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(-n3cc(-c4cncc5c4cnn5-c4ccc(C)c(C)c4)nn3)c12,LMMMQZZRFBDQLN-UHFFFAOYSA-N
+rxn:1:40568:10195,NS(=O)(=O)c1ccc(C=CCn2cc(Cn3c(-c4ccccc4)nc4scc(-c5ccc(Cl)cc5)c4c3=O)nn2)s1,FQYUMZJFJPFZST-UHFFFAOYSA-N
+rxn:1:40568:10196,NS(=O)(=O)c1ccc(C=CCn2cc(Cn3c(-c4ccccc4)nc4scc(-c5ccc(F)cc5)c4c3=O)nn2)s1,YXHPDOPIKNDPEH-UHFFFAOYSA-N
+rxn:1:40662:23499,Nc1c(-c2cn(CC=Cc3csc(C4OCCO4)c3)nn2)sc2nccc(-c3ccc(Cl)cc3)c12,GWZXXDGESYQTJO-UHFFFAOYSA-N
+rxn:1:40662:29039,O=c1c2cccnc2[se]n1-c1ccc(F)c(-c2cn(CC=Cc3csc(C4OCCO4)c3)nn2)c1,IHUYXUJXSYFREJ-UHFFFAOYSA-N
+rxn:1:40695:10318,Cc1sc2nc(-c3ccncc3)n(Cc3cn(CC=Cc4ccc5c(c4)CCNC5)nn3)c(=O)c2c1-c1cccs1,KJISZLMKJDLJBW-UHFFFAOYSA-N
+rxn:1:40747:10195,O=C(O)c1ccc(F)c(C=CCn2cc(Cn3c(-c4ccccc4)nc4scc(-c5ccc(Cl)cc5)c4c3=O)nn2)c1,DWBFJZXDUDIWPS-UHFFFAOYSA-N
+rxn:1:40747:10196,O=C(O)c1ccc(F)c(C=CCn2cc(Cn3c(-c4ccccc4)nc4scc(-c5ccc(F)cc5)c4c3=O)nn2)c1,ZYIBXRYLIIMBIS-UHFFFAOYSA-N
+rxn:1:41007:28983,Cc1cc(C=CCn2cc(-c3nc(Br)cnc3-n3[se]c4cccnc4c3=O)nn2)ccc1C(F)(F)F,LWYTXGUVBPIYMA-UHFFFAOYSA-N
+rxn:1:41094:22666,COc1cc(C=CCn2cc(-c3cncc(-n4nc(C)c(Br)c4N)c3)nn2)c(C=O)cc1O,GDDGFDASAMPJFC-UHFFFAOYSA-N
+rxn:1:41151:28983,Nc1cc(C(F)(F)F)ccc1C=CCn1cc(-c2nc(Br)cnc2-n2[se]c3cccnc3c2=O)nn1,RTDPICQNXCVLIS-UHFFFAOYSA-N
+rxn:1:41361:22666,Cc1nn(-c2cncc(-c3cn(CC=Cc4cc(O)ccc4OC(F)(F)F)nn3)c2)c(N)c1Br,SPYLPPLQSVQTMP-UHFFFAOYSA-N
+rxn:1:42852:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccccc4C(F)(F)F)nn3)c2)c(N)c1Br,BHGVUACCWHOKGP-UHFFFAOYSA-N
+rxn:1:42865:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(Cl)cc(C=O)c4O)nn3)c2)c(N)c1Br,DNOWYPXQUDKVSS-UHFFFAOYSA-N
+rxn:1:42873:28596,O=C(O)c1cccc(F)c1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,LOOXYKDIXUXZDI-UHFFFAOYSA-N
+rxn:1:42877:28596,O=C(O)c1ccc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c(F)c1,ATXDBSIKOZSVRM-UHFFFAOYSA-N
+rxn:1:42879:28596,O=C(O)c1cc(Cl)cc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c1,RZXGQXWLTODZDH-UHFFFAOYSA-N
+rxn:1:42887:28596,O=C(O)c1cc(Cl)ccc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,FFDHIWBJZPJASR-UHFFFAOYSA-N
+rxn:1:42971:28596,O=C(O)c1ccc(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c(O)c1,VEWCHMKFZPTMCL-UHFFFAOYSA-N
+rxn:1:42975:28596,N#CSc1ccc(N)c(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)c1,CQVFQYIEBQFQQR-UHFFFAOYSA-N
+rxn:1:42982:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cncc([N+](=O)[O-])c4Cl)nn3)c2)c(N)c1Br,WYXGRHWHHIWVDF-UHFFFAOYSA-N
+rxn:1:43016:22666,Cc1nn(-c2cncc(-c3cn(CC#Cc4cncc(C(F)(F)F)c4)nn3)c2)c(N)c1Br,VPJKVRYMJUAADT-UHFFFAOYSA-N
+rxn:1:43077:28596,Nc1ccc(C(=O)O)cc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,YABZBIXHYGEYQZ-UHFFFAOYSA-N
+rxn:1:43102:28596,NC(=O)c1ccc(F)cc1C#CCn1cc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c3ccccc32)nn1,KHBXNXDYOHFGQT-UHFFFAOYSA-N
+rxn:1:43194:28596,O=C(O)c1cc(F)c(C#CCn2cc(Cn3cc(C=c4sc5nc6ccccc6n5c4=O)c4ccccc43)nn2)cc1Cl,XIFNEKHOCGMEQR-UHFFFAOYSA-N
+rxn:1:43246:22666,Cc1nc(Cl)c([N+](=O)[O-])cc1C#CCn1cc(-c2cncc(-n3nc(C)c(Br)c3N)c2)nn1,IAIIDAJOUDXSMS-UHFFFAOYSA-N
+rxn:1:43368:21053,Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2cn(CC#Cc3ccc4ccc(O)cc4c3)nn2)c2ccccc12,ASFPAAVMUPVCKZ-UHFFFAOYSA-N
+rxn:1:43599:28596,O=C(O)c1cnc2cc(C#CCn3cc(Cn4cc(C=c5sc6nc7ccccc7n6c5=O)c5ccccc54)nn3)ccc2c1O,RJUAKNMOEBWQFY-UHFFFAOYSA-N
+rxn:1:62024:30366,Nc1ncnc2c1nc(-n1cc(C(=O)N3CCC4(CCCN(c5cnccn5)CCN(Cc5ccccc5)C(=O)c5ccccc5OC4)CC3)nn1)n2[C@@H]1O[C@H](CO)[C@H](O)C1O,RNWKELUPRDNKFS-JDYGUWFOSA-N