urdof7 commited on
Commit
2989924
·
verified ·
1 Parent(s): 4c9dacd

Added 32 molecules from epoch 20502 for Q63380

Browse files
Files changed (1) hide show
  1. Q63380_molecules.csv +32 -0
Q63380_molecules.csv CHANGED
@@ -8152,3 +8152,35 @@ rxn:1:61827:572,OC1(c2cn(-c3ccc(I)c(Br)c3)nn2)CNC1,PRYDFEQTJSKVBZ-UHFFFAOYSA-N
8152
  rxn:1:62307:20555,Nc1c(-c2cn(-c3cncc(Cl)c3)nn2)cnc(Cl)c1I,MWMQCIRAIGUQPD-UHFFFAOYSA-N
8153
  rxn:1:62688:31969,CN1CC[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)[C@]1(C)CO,GNHFDTMTWVMUFO-BMIGLBTASA-N
8154
  rxn:1:65673:39019,Cc1sccc1C=CCn1cc(-c2cncc3[nH]ncc23)nn1,LAYQFYRPTOSDOM-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
8152
  rxn:1:62307:20555,Nc1c(-c2cn(-c3cncc(Cl)c3)nn2)cnc(Cl)c1I,MWMQCIRAIGUQPD-UHFFFAOYSA-N
8153
  rxn:1:62688:31969,CN1CC[C@H](c2cn(-c3cc(I)cc(I)c3I)nn2)[C@]1(C)CO,GNHFDTMTWVMUFO-BMIGLBTASA-N
8154
  rxn:1:65673:39019,Cc1sccc1C=CCn1cc(-c2cncc3[nH]ncc23)nn1,LAYQFYRPTOSDOM-UHFFFAOYSA-N
8155
+ rxn:1:41458:31743,COC[C@@H](N)c1ccc(-c2cn(-c3ccc(F)cc3Br)nn2)cc1,VKADRICQFGXCBY-OAHLLOKOSA-N
8156
+ rxn:1:41624:31195,Brc1ccc(-n2cc(-c3ccc4c(c3)CNC4)nn2)c(Br)c1,FGDBCIBEIHWXIC-UHFFFAOYSA-N
8157
+ rxn:1:41711:38459,OC1(c2cn(-c3ccc(I)cc3Br)nn2)CC2CCC1C2,WIQOMZYPXWOTMA-UHFFFAOYSA-N
8158
+ rxn:1:41847:122,Nc1c(Cl)ncnc1-c1cn(CC=Cc2cscc2Br)nn1,PBTOUYCJVUTLLC-UHFFFAOYSA-N
8159
+ rxn:1:41847:2050,C[C@@H](N)c1ccc(-c2cn(CC=Cc3cscc3Br)nn2)cc1,OSVCCWZLRMJERQ-GFCCVEGCSA-N
8160
+ rxn:1:41847:3191,NCC(=O)c1ccc(-c2cn(CC=Cc3cscc3Br)nn2)cc1,RDASKOSFRGXWIC-UHFFFAOYSA-N
8161
+ rxn:1:41886:8718,Cc1cc(-c2cn(-c3cccc(C=CCCl)c3)nn2)cnc1N,ARQLIOWLXJRWSB-UHFFFAOYSA-N
8162
+ rxn:1:41917:31611,COc1ncc(-c2cn(CC#Cc3ccsc3C)nn2)c(N)n1,AJYUBLMQEXHWCJ-UHFFFAOYSA-N
8163
+ rxn:1:41923:31330,O=c1[nH]nc(Cl)cc1-c1cn(CC#Cc2ccsc2Cl)nn1,SQMWEXGUXJSORR-UHFFFAOYSA-N
8164
+ rxn:1:41973:20555,Nc1c(-c2cn(CC#Cc3cncnc3Cl)nn2)cnc(Cl)c1I,TZWOTXGOEKIFDT-UHFFFAOYSA-N
8165
+ rxn:1:42110:8718,Cc1cc(-c2cn(CC#Cc3cccc(F)c3Cl)nn2)cnc1N,AHYDHXUBUCFUSS-UHFFFAOYSA-N
8166
+ rxn:1:42186:351,COc1ccc(-c2cn(CC#Cc3cnc(Cl)cc3N)nn2)s1,FGBOHBXBHFUATC-UHFFFAOYSA-N
8167
+ rxn:1:42304:5997,Clc1cncc(Cl)c1C#CCn1cc(Cn2ccc(I)n2)nn1,HUCOBYCXTOLNBH-UHFFFAOYSA-N
8168
+ rxn:1:43406:20555,Cc1cccc(CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)n1,REOYGMSTFWDGSM-UHFFFAOYSA-N
8169
+ rxn:1:43628:38814,Nc1c(Br)cncc1-c1cn(CC#Cc2ncc(Br)cn2)nn1,JTYKXLQXNOJRFU-UHFFFAOYSA-N
8170
+ rxn:1:43719:7253,CC(C)[C@@H](N)c1cn(-c2ccc(Cl)c(I)c2)nn1,OMVWJHCNNVYXPB-GFCCVEGCSA-N
8171
+ rxn:1:43730:37700,N[C@H]1C=C(c2cn(-c3ccc(Br)cc3I)nn2)CC1,SVEGVPSDVWUIMN-SNVBAGLBSA-N
8172
+ rxn:1:44567:1060,COc1nc(C#CCCn2cc(-c3cc(Br)cs3)nn2)cnc1N,JUGYFHHTNGTCEZ-UHFFFAOYSA-N
8173
+ rxn:1:45656:8557,Cc1ccc(N)nc1C=CCCn1cc(-c2csc(Br)c2)nn1,JOHJWJACZOWOPZ-UHFFFAOYSA-N
8174
+ rxn:1:52145:1060,Nc1nc(Cl)cnc1C1CC1CCn1cc(-c2cc(Br)cs2)nn1,GVDYVXWCZQEQEW-UHFFFAOYSA-N
8175
+ rxn:1:53562:2946,CCn1cncc1-c1cn(Cc2ccc(Br)cc2I)nn1,ZVIWGCCFJTVIAW-UHFFFAOYSA-N
8176
+ rxn:1:55038:39921,Clc1cnc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)nc1,MNZBPKWUYFIHOA-UHFFFAOYSA-N
8177
+ rxn:1:55900:39921,Nc1cc(Cl)cc(C2CC2Cn2cc(-c3ccc(I)nn3)nn2)c1O,VHGCSKLSZNHAMD-UHFFFAOYSA-N
8178
+ rxn:1:57013:31054,Nc1ncnc2c1ncn2-c1cn(CCCc2ccc(Br)s2)nn1,IZIZQIHUJJKHMT-UHFFFAOYSA-N
8179
+ rxn:1:57047:2180,CSCC(N)c1cn(CCCc2cc(Br)c(Br)s2)nn1,LDSLCAWBFSCKIX-UHFFFAOYSA-N
8180
+ rxn:1:57047:3315,BrCCNCc1cn(CCCc2cc(Br)c(Br)s2)nn1,PQKRICJLERALEC-UHFFFAOYSA-N
8181
+ rxn:1:57050:39921,Cc1cc(CCCn2cc(-c3ccc(I)nn3)nn2)c(C)s1,IGLMVBIPWJIAMZ-UHFFFAOYSA-N
8182
+ rxn:1:57369:357,Cc1ccc(-c2cn(CCCc3ncc(F)cc3N)nn2)s1,TTZSEMLEPGOXFS-UHFFFAOYSA-N
8183
+ rxn:1:57548:357,Cc1ccc(-c2cn(CCCc3cnc(Cl)nc3N)nn2)s1,OJTYRYKGIAIOOZ-UHFFFAOYSA-N
8184
+ rxn:1:61887:2754,NC12CCC(n3cc(-c4cc(Br)ccc4O)nn3)(CC1)C2,HVAFLHTZBQNHFD-UHFFFAOYSA-N
8185
+ rxn:1:62096:31947,Oc1c(Cl)cc(-c2cn(CCCCCBr)nn2)cc1Cl,MAZBEDSAHBUAQH-UHFFFAOYSA-N
8186
+ rxn:1:62688:23093,NC1(c2cn(-c3cc(I)cc(I)c3I)nn2)CC2(CCC2)C1,XLHNAAQZSQWLPN-UHFFFAOYSA-N