Added 202 molecules from epoch 17161 for Q6P6W3

Q6P6W3_molecules.csv

@@ -31633,3 +31633,205 @@ FE1B4682594D05A7_72A13684974C0DAB_6029_UN,CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=C(C)C=
 FE9D0AFA780101F4_3F7BE49387592635_6029_UN,O[C@H]1CN([C@@H](C1)C(=O)O)[S](C2=CC(=CC=C2)CN3C(=O)C=CC3=O)(=O)=O,TVWIHLXDGFUOAA-YPMHNXCESA-N
 FF8273FE807FE028_48F04CF22BA429E4_6038_UN,N(CC1=CSC(=N1)C2=CC=C(C=C2)C#N)C(C3=CC(=C(C=C3)F)CC=C(C)C)=O,HIIBELFYFULGQD-UHFFFAOYSA-N
 FFA904E1FD028356_97E52429469457F0_7009_UN,N([S](=O)(=O)C2=C1C=CC=CC1=CC=C2)C(=O)CC3=CNC(C=C3)=O,QQRXDBPNCCGTCO-UHFFFAOYSA-N
+rxn:1:11153:62271,CCN(Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)S(=O)(=O)c1ccc(Cl)cc1,OPSPQAHHJUMEQN-UHFFFAOYSA-N
+rxn:1:11491:62052,N=c1c2nc(-n3cc(CN(c4ccc(F)cc4)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,PARILNJVISGWCF-UHFFFAOYSA-N
+rxn:1:11492:62052,N=c1c2nc(-n3cc(CN(c4cccc5cccnc45)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YQQYRXGEROYYRZ-UHFFFAOYSA-N
+rxn:1:11493:62052,N=c1c2nc(-n3cc(CN(c4cccc(F)c4)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DGMNTSRTMZPQSG-UHFFFAOYSA-N
+rxn:1:11508:62052,N=c1c2nc(-n3cc(CN(c4ccc(Cl)cn4)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,FHAMYBPRVCBJLG-UHFFFAOYSA-N
+rxn:1:11513:62052,N=c1c2nc(-n3cc(CN(c4cccc(Cl)n4)S(=O)(=O)c4cccs4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,YWMFLPBHZZNJBG-UHFFFAOYSA-N
+rxn:1:11563:62052,N=c1c2nc(-n3cc(CN(c4ccc(Br)cc4)S(=O)(=O)c4ccccc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,SMCRXHSCXOYNBS-UHFFFAOYSA-N
+rxn:1:11597:55992,CCOC(=O)[C@H]1C[C@](F)(Cn2cc(CSc3nc4cc(C(=O)N5CC(O)C5)ccc4[nH]3)nn2)C1,QRHASGZIUZUQFB-XLOAEROZSA-N
+rxn:1:14889:48694,CC1(C)OI(n2cc([C@]3(OS(=O)(=O)[O-])CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]43C)nn2)c2ccccc21,LCOLLNXLKXXHCK-QPPBTVIVSA-M
+rxn:1:15985:59582,COc1cc(OC)cc(-n2cc(-c3cn(-c4ccc(C=C(F)B5OC(C)(C)C(C)(C)O5)cc4)nn3)c(C3CCC3)n2)c1,NKQOSXBCCXUVRQ-UHFFFAOYSA-N
+rxn:1:17729:54836,CN(C)CCn1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,QLZPQUCERKZOGF-UHFFFAOYSA-N
+rxn:1:2065:59616,CC1(C)OB(C(F)=C(Cn2cc(CC(=O)CC3CNC3)nn2)c2cccs2)OC1(C)C,LIEVECLIUNLHCF-UHFFFAOYSA-N
+rxn:1:24152:44594,CC(C)(C)OC(=O)N1CCC12CCC(c1cn(CCC#Cc3ccc4scnc4c3)nn1)CC2,SXYAOEBVDGLESH-UHFFFAOYSA-N
+rxn:1:2847:45099,CCOC(=O)N1CCC(c2cn(CCC#Cc3cccc(N4CCNCC4)c3)nn2)CC1,BFQPAHUBTDOUKX-UHFFFAOYSA-N
+rxn:1:2847:45100,CCOC(=O)N1CCC(c2cn(CCC#Cc3ccc(N4CCNCC4)cc3)nn2)CC1,IRXWJNGWAWBIOW-UHFFFAOYSA-N
+rxn:1:29743:59887,CC(C)(C)OC(=O)N1CCC(=Cn2cc(-c3ccc(Br)cc3N3CCOCC3)nn2)CC1,NFUQEEHLYJHIOE-UHFFFAOYSA-N
+rxn:1:29829:43373,CCCC(c1cnn[nH]1)n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,VJHUWAVINDBMGB-MVAUJPHFSA-N
+rxn:1:30023:53178,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCC4C(CC3)C4(F)F)nn2)c2ccccc2OCCC1,DBXFPXFQMXWLDB-ORZLTHFRSA-N
+rxn:1:30023:61119,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC(=O)N3CCC(F)(F)CC3)nn2)c2ccccc2OCCC1,FDXVHRLWFGUYAS-RDGATRHJSA-N
+rxn:1:30149:52629,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCC(F)(F)CC3)nn2)c2cc(C3CC3)ccc2OCCC1,OOJMSOOTGFQACE-UHSQPCAPSA-N
+rxn:1:30264:52629,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3CCC(F)(F)CC3)nn2)c2cc(C3CC3)ccc2OCC1,AYUUIXBXUJJCMS-LBNVMWSVSA-N
+rxn:1:30264:61114,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC(=O)N3CC(F)(F)C3)nn2)c2cc(C3CC3)ccc2OCC1,VTXAYTNLWRIXOC-WIOPSUGQSA-N
+rxn:1:30502:53178,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(CC3CCC4C(CC3)C4(F)F)nn1)CCO2,CZKQIMDTKFIVBB-UHFFFAOYSA-N
+rxn:1:30705:53178,CCCC(=O)N1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCCN(C(=O)c1cn(CC3CCC4C(CC3)C4(F)F)nn1)C2,CIBMCBWTAVNBDJ-UHFFFAOYSA-N
+rxn:1:30998:46741,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CCC=Cc3c[nH]c4ncc(Br)cc34)nn1)C2,LHCCRIYYJMHZSF-HMRCJKRNSA-N
+rxn:1:31734:43446,CCOC(=O)CN1CCC(c2cn(CC#Cc3cccc(N4CCNCC4)c3)nn2)CC1,IURZEOZGUYHIJD-UHFFFAOYSA-N
+rxn:1:31734:45099,CCOC(=O)CN1CCC(c2cn(CCC#Cc3cccc(N4CCNCC4)c3)nn2)CC1,OYWBGNOORUHWCA-UHFFFAOYSA-N
+rxn:1:31783:42740,CC(C)(C)OC(=O)N1CCC(N2CC(c3cn(CC#Cc4ccc5ccsc5c4)nn3)C2)CC1,YQVPJUCHZJFNDY-UHFFFAOYSA-N
+rxn:1:31793:42738,CC(C)(C)OC(=O)N1CC(N2CCC(c3cn(CC#Cc4cccc5ccsc45)nn3)CC2)C1,JACYLHBIVVZTNC-UHFFFAOYSA-N
+rxn:1:31793:42764,CC(C)(C)OC(=O)N1CC(N2CCC(c3cn(CC#Cc4ccc5ncsc5c4)nn3)CC2)C1,KFHOHIZJIPOYSZ-UHFFFAOYSA-N
+rxn:1:31890:59906,CC(C)(C)OC(=O)N1CCC(CF)(c2cn(Cc3c(C4CCC4)nn4cc[nH]c34)nn2)CC1,PCASWTOTMPXBHB-UHFFFAOYSA-N
+rxn:1:33297:58729,CCC1CCC(N(C)CCn2cc(-c3ccc(C(=O)N4CC=C(C(=O)OC)CC4)c(Cl)c3)nn2)CC1,HGGLATLSQFBGOI-UHFFFAOYSA-N
+rxn:1:33319:52616,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2n[nH]c3cc(Br)ccc23)nn1,RWZNNSSUHIQPMW-UHFFFAOYSA-N
+rxn:1:33319:52639,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2c[nH]c3cccc(Br)c23)nn1,GVAKBJZJSGLQDR-UHFFFAOYSA-N
+rxn:1:3366:45124,CCC(=O)N1CCC(c2cn(CCC#Cc3ccc(N4CCOCC4)cc3)nn2)CC1,ARAGKRDKARCTSD-UHFFFAOYSA-N
+rxn:1:36944:62052,CS(=O)(=O)c1ccc(-c2ccc(F)cc2-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)cn1,GKHFIHYSQJGCEH-UHFFFAOYSA-N
+rxn:1:38123:44768,N=C(SC1CCCCC1)C(F)(F)c1ccc(-c2cn(CCC#Cc3ccc(C(=O)O)c(O)c3)nn2)cc1,KYBYRARMQPZTMB-UHFFFAOYSA-N
+rxn:1:3897:43446,CC(C)(C)OC(=O)N1CC(c2cn(CC#Cc3cccc(N4CCNCC4)c3)nn2)C2(CC2)C1,COKQXNORFFQMMD-UHFFFAOYSA-N
+rxn:1:40443:29900,Cc1cccc(CN2CCCC3(CCN(C(=O)c4cn(CC5CCCCC5(F)F)nn4)CC3)CN(C)C(=O)c3cnn(c3)CC2)n1,JBIPXLQRLVRVHM-UHFFFAOYSA-N
+rxn:1:40719:13800,CC(C)(C)OC(=O)N1CC2(CCN(Cc3cn(CC=Cc4c[nH]c5c(Cl)ncnc45)nn3)CC2)C1,FAJMFWJFEFXLEM-UHFFFAOYSA-N
+rxn:1:4085:45099,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCC#Cc3cccc(N4CCNCC4)c3)nn2)N1,SVLJGVNZMMJJRB-UHFFFAOYSA-N
+rxn:1:41163:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC=Cc3cnc(Cl)c(C(=O)OC)c3)nn2)CC1,RIVQPXSEKSBJMN-UHFFFAOYSA-N
+rxn:1:41166:26661,COC(=O)c1cnc(Cl)c(C=CCn2cc(C3CC(=O)N(c4ccc5c(c4)N4CCN=C4S5)C3)nn2)c1,QREVTDFHUDKYJQ-UHFFFAOYSA-N
+rxn:1:42130:29826,O=C(O)c1ccsc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ccncc2F)CCCOc2ccccc23)nn1,XKGXXZCTTDEHBW-MUAVYFROSA-N
+rxn:1:42235:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5ncc([N+](=O)[O-])s5)nn4)ncn3)CC2)OC1(C)C,CANYTFPGVUMNCG-UHFFFAOYSA-N
+rxn:1:42375:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5nc[nH]c5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,UIONXYBHPJYWIY-UHFFFAOYSA-N
+rxn:1:42568:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5cccnc5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,KYRSUNLXWHNTSL-UHFFFAOYSA-N
+rxn:1:42569:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5ccc([N+](=O)[O-])nc5)nn4)ncn3)CC2)OC1(C)C,GLOSQZGTPMUSJD-UHFFFAOYSA-N
+rxn:1:42577:29889,C=CCC1(Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccncc3F)CCOc3ccccc34)nn2)CCNC1=O,MEEHWPBYOAGMIP-HDKLRVPOSA-N
+rxn:1:42827:2647,CC(C)(C)OC(=O)N1CCOCC1c1cn(CC#Cc2ccc3c(c2)CNCC3)nn1,IQFRFIKRCWMVNK-UHFFFAOYSA-N
+rxn:1:42841:29057,CC1(C)OB(C(F)=CCC(c2cn(CC#Cc3cccc4c3CNC4=O)nn2)C2CC2)OC1(C)C,JCURVICYBSONEX-UHFFFAOYSA-N
+rxn:1:42988:29899,Nc1ncc(C(=O)O)cc1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccc2F)CCOc2ccccc23)nn1,WHOHJFDURAGARA-YUDQIZAISA-N
+rxn:1:43032:14889,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OS(=O)(=O)[O-])c1cn(-c2ccc(CS(=O)(=O)Cl)cc2)nn1,FMVXQLQAQDLNEW-VGSPSRCMSA-M
+rxn:1:43076:29829,Nc1cccc(C(=O)O)c1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,ZMZHELJMFITZOB-NRUKRWIHSA-N
+rxn:1:43373:29826,CCCC(c1cnn[nH]1)n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ccncc2F)CCCOc2ccccc23)nn1,RUCOJVBKOWIREC-MVAUJPHFSA-N
+rxn:1:43373:29889,CCCC(c1cnn[nH]1)n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccncc2F)CCOc2ccccc23)nn1,ILJUNTVFVHSTKX-MVAUJPHFSA-N
+rxn:1:43373:29899,CCCC(c1cnn[nH]1)n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccc2F)CCOc2ccccc23)nn1,XSSFVQXYJWVGHJ-MVAUJPHFSA-N
+rxn:1:43446:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC#Cc3cccc(N4CCNCC4)c3)nn2)CC1,WZZGWSJHNGNJNL-UHFFFAOYSA-N
+rxn:1:43447:18671,O=C(CN1CCNCC1)NCc1cn(CC#Cc2ccc(N3CCNCC3)cc2)nn1,FVWMLZPRTHJZIE-UHFFFAOYSA-N
+rxn:1:43447:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC#Cc3ccc(N4CCNCC4)cc3)nn2)CC1,OHBIENWWDVWFGO-UHFFFAOYSA-N
+rxn:1:43447:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC#Cc3ccc(N4CCNCC4)cc3)nn2)CC1,WLWGIGXRJGVWQT-UHFFFAOYSA-N
+rxn:1:43453:6104,CC(C(=O)O)=C(C)C(=O)NCc1cn(CC#Cc2cccc(CN3CCCC3)c2)nn1,MOTSAJMGVPXXNY-UHFFFAOYSA-N
+rxn:1:43455:3792,CC(C)(C)OC(=O)N1CC=C(c2cn(CC#Cc3ccc(C4CCNCC4)cc3)nn2)CC1,MLRAQQCXTLAULK-UHFFFAOYSA-N
+rxn:1:43711:29767,CC(C)(C)OC(=O)N1CCC(N2CCC(c3cn(CC#Cc4n[nH]c5cc(Br)ccc45)nn3)CC2)CC1,GVMZWSOZIJSTQX-UHFFFAOYSA-N
+rxn:1:43711:31203,CC(C)(C)OC(=O)N1CCC2(CN(Cc3cn(CC#Cc4n[nH]c5cc(Br)ccc45)nn3)C2)C1,KLBXHXGKUGZNRA-UHFFFAOYSA-N
+rxn:1:43878:30023,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CCC#Cc3cc(Cl)ccn3)nn2)c2ccccc2OCCC1,KEFMZPSKVDHVCE-GIGWZHCTSA-N
+rxn:1:44241:29091,CC(=C(F)B1OC(C)(C)C(C)(C)O1)C(C)(C)c1cn(CCC#Cc2nc([N+](=O)[O-])c[nH]2)nn1,XXTILQJFEROFBA-UHFFFAOYSA-N
+rxn:1:44586:8677,CC(c1cn(CCC#Cc2cnc3cc[nH]c3c2)nn1)N1CCCN(C(=O)OC(C)(C)C)CC1,CVKXYSHMJVCLAB-UHFFFAOYSA-N
+rxn:1:44597:8677,CC(c1cn(CCC#Cc2nc3ccccc3s2)nn1)N1CCCN(C(=O)OC(C)(C)C)CC1,NMSKQAAYXXLISX-UHFFFAOYSA-N
+rxn:1:45100:38866,CC(C)(C)OC(=O)N1CCCCC1c1cn(CCC#Cc2ccc(N3CCNCC3)cc2)nn1,PTONBBVILJRRJF-UHFFFAOYSA-N
+rxn:1:45122:6104,CC(C(=O)O)=C(C)C(=O)NCc1cn(CCC#Cc2cccc(N3CCOCC3)c2)nn1,QYXCTJWXXIOKSB-UHFFFAOYSA-N
+rxn:1:46780:13140,CC1(C)OB(C(=Cc2cccc(-n3cc(-c4cccc(C(=O)N5CCN(C6CCCC6)CC5)c4)nn3)c2)CO)OC1(C)C,BLEXVWAEAJLHLY-UHFFFAOYSA-N
+rxn:1:47787:29057,COC(=O)c1cnc(-n2cc(C(CC=C(F)B3OC(C)(C)C(C)(C)O3)C3CC3)nn2)c2[nH]ccc12,RHJRTZPDAOFQKC-UHFFFAOYSA-N
+rxn:1:49311:32711,CC(C)(C)OC(=O)N1CCN([C@@H]2CCCC[C@@H]2n2cc(-c3c(F)ccc4cccnc34)nn2)CC1,XPLJLNQOAKMXQC-YADHBBJMSA-N
+rxn:1:49472:14646,Cc1ccc(-c2cn(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)nn2)c(OCC2CCCCC2)c1,HAKQDVZQRLIRDJ-UHFFFAOYSA-N
+rxn:1:50433:17647,CCC(CC)n1nc(-c2cn(CC3C(c4c[nH]c(C(=O)OC)c4)C3(F)F)nn2)cc1C1CCCC1,JSGYLQRDLBDXED-UHFFFAOYSA-N
+rxn:1:50433:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3C(c4c[nH]c(C(=O)OC)c4)C3(F)F)nn2)CC1,TUPCSRWLZAUPRT-UHFFFAOYSA-N
+rxn:1:50787:33686,CCC1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cnc(C(=O)OC)nc5)C4(F)F)nn3)c2)CC1,ZOMGHWQZSVOWNZ-UHFFFAOYSA-N
+rxn:1:50791:33686,CCC1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5cn(C)c(C(=O)OC)n5)C4(F)F)nn3)c2)CC1,ISXTUKXUDOAYMQ-UHFFFAOYSA-N
+rxn:1:50869:13895,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cncc(C(=O)OC)c4)C3(F)F)nn2)CC1,ZXOGHOPFSHOFJH-DCEJCQMCSA-N
+rxn:1:50895:13310,COc1ncc(Br)cc1NC(=O)c1cccc(-c2cn(CCC(=O)N3C[C@H]4COCC[C@@]4(C(=O)O)C3)nn2)c1,DLWFXFWTGIQFBX-HFJWLAOPSA-N
+rxn:1:50895:32868,COc1cc(Cl)cc(C(=O)Nc2cncc(-c3cn(CCC(=O)N4C[C@H]5COCC[C@@]5(C(=O)O)C4)nn3)c2)c1,RVVJVEDFYNNHPF-HFJWLAOPSA-N
+rxn:1:51306:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)nc2)CC1,YFTURGNXEPJLBA-UHFFFAOYSA-N
+rxn:1:51343:17729,CN(C)CCn1nc(-c2cn(CC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,TZQFNEHBHSHJGP-UHFFFAOYSA-N
+rxn:1:51457:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5n[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)nc2)CC1,DVGQBPHTHGQYMY-UHFFFAOYSA-N
+rxn:1:51457:35303,CCC1(C(=O)Nc2ccc(C)c(-c3cn(CC4C(c5n[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)c2)COC1,CVVMIEGFRRAAOS-UHFFFAOYSA-N
+rxn:1:51468:15478,CNC(=O)c1cn(Cc2cn(CC3C(c4ccc5[nH]cc(C(=O)OC)c5c4)C3(F)F)nn2)nc1C1CCCC1,APERAYJXYDHKAK-UHFFFAOYSA-N
+rxn:1:51710:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2cnccc2Cl)nn1,XBZKIUPZHCHRPC-UHFFFAOYSA-N
+rxn:1:51950:39200,Cc1cn(C2CC(n3cc(COC(=O)c4cc(Br)c5[nH]c(-c6ccccc6Cl)nc5c4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,KGEKDTXXTLBOMU-UHFFFAOYSA-N
+rxn:1:52079:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cc(Cl)cnc4Cl)nn3)nc2)CC1,JVOURMYVBRDJCI-XJIHHFPWSA-N
+rxn:1:52082:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cc(F)cnc4Cl)nn3)nc2)CC1,UEZAOCIHTWRZNJ-XJIHHFPWSA-N
+rxn:1:52083:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cc(Br)cnc4Cl)nn3)nc2)CC1,NHLAXVMLXFARPF-XJIHHFPWSA-N
+rxn:1:52084:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4c(Cl)ccnc4Cl)nn3)nc2)CC1,YFWAFWNTPLBXHC-UGRQCTPOSA-N
+rxn:1:52085:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cc(Cl)cnc4F)nn3)nc2)CC1,CHRYSDNMQPWWKX-XJIHHFPWSA-N
+rxn:1:52087:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4CC4c4cc(Br)cnc4F)nn3)nc2)CC1,GMQWIGHZTXZYOF-XJIHHFPWSA-N
+rxn:1:52638:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2c[nH]c3cccc(Cl)c23)nn1,WCNGXNJOZFQACM-UHFFFAOYSA-N
+rxn:1:53143:30951,CC(C)(C)OC(=O)N1Cc2cnc(-c3cn(CCC4CC4c4cnc(N5CCCC5)nc4)nn3)cc2C1,GYNRETIMNZUQNM-UHFFFAOYSA-N
+rxn:1:53172:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cccc(N4CCNCC4)c3)nn2)CC1,NQRQGODAZKQIAI-UHFFFAOYSA-N
+rxn:1:53178:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3CCC4C(CC3)C4(F)F)nn2)c2ccccc2OCC1,LWNWLFISCLCLRA-JPDKQCIVSA-N
+rxn:1:53747:16737,CN(C)Cc1cnn(-c2ccc(-c3cn(CCC4C(c5cn[nH]c5C(=O)O)C4(F)F)nn3)cc2)c1C1CCCCC1,JWVDQQSRDIOAMR-UHFFFAOYSA-N
+rxn:1:53862:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5cncc(OC)c5)C4(F)F)nn3)nc2)CC1,ZPSAXVSSJFLFGE-UHFFFAOYSA-N
+rxn:1:53960:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5cc(OC)ccc5O)C4(F)F)nn3)nc2)CC1,AXPQLJKRGZXXGG-UHFFFAOYSA-N
+rxn:1:54264:33054,CCC1CCC(N(C)C(=O)c2ccc(C)c(-c3cn(CCC4C(c5cnc6c(c5)CCN6)C4(F)F)nn3)c2)CC1,BAZKVDYNEPXMEU-UHFFFAOYSA-N
+rxn:1:54289:30998,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CCC3C(c4cnc5cn[nH]c5c4)C3(F)F)nn1)C2,LTSNBMAJCOVZOB-VZECGYESSA-N
+rxn:1:54329:29767,CC(C)(C)OC(=O)N1CCC(N2CCC(c3cn(CCC4C(c5ccc6[nH]c(=O)[nH]c6c5)C4(F)F)nn3)CC2)CC1,MAOYIPZXGCSYND-UHFFFAOYSA-N
+rxn:1:54329:5242,C=C(C)Cn1c(SCc2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,DGLRCOJYHJLLIC-UHFFFAOYSA-N
+rxn:1:54724:18114,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CCC4C(c5ccc(-c6cc[nH]n6)cc5)C4(F)F)nn3)c2C1,OCVIQNJGSDVZDK-UHFFFAOYSA-N
+rxn:1:54805:16983,CN(C)CCn1ncc(-c2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c(=O)c5c4)C3(F)F)nn2)c1C1CCCCC1,ZGDBCEMCHDTZJU-UHFFFAOYSA-N
+rxn:1:54805:17729,CN(C)CCn1nc(-c2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c(=O)c5c4)C3(F)F)nn2)cc1C1CCCCC1,INIXTZNKWJMTCX-UHFFFAOYSA-N
+rxn:1:54836:17464,COc1cccc(OC)c1-n1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,RZJPDAOJQBKQBT-UHFFFAOYSA-N
+rxn:1:54836:21153,CC(C1CCCC1)n1nc(C2CCCCC2)cc1-c1cn(CCC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,UTWILRCAPXTCPL-UHFFFAOYSA-N
+rxn:1:55089:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3CC3c3cccnc3Cl)nn2)c2ccccc2OCC1,UHYLESRGRWNJQW-GVJADEFVSA-N
+rxn:1:55762:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3c[nH]nc3C(=O)OC)nn2)CC1,LIVZPGMZPRLSHH-UHFFFAOYSA-N
+rxn:1:55992:33338,CCOC(=O)[C@H]1C[C@](F)(Cn2cc(-c3cncc(NC(=O)C4(CC)COC4)c3)nn2)C1,GIDCRZDUDQNVBS-GGYDESQDSA-N
+rxn:1:56244:29076,CC1(C)OB(C(F)=Cc2cc(-c3ccsc3)nn2Cc2cn(CCNC(=O)c3cc(=O)[nH]c(=O)[nH]3)nn2)OC1(C)C,PQBWGKYCUVHCLO-UHFFFAOYSA-N
+rxn:1:56324:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cncc(C(=O)OC)c3)nn2)CC1,JIEJZGLQCAVIKO-UHFFFAOYSA-N
+rxn:1:56337:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccc(C(=O)OC)cn3)nn2)CC1,JQIWBEKRLTVFEC-UHFFFAOYSA-N
+rxn:1:56342:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3ccnc(C(=O)OC)c3)nn2)CC1,LSVXFRVSPLGQGU-UHFFFAOYSA-N
+rxn:1:56449:33085,CCC1CCC(C(=O)Nc2ccncc2-c2cn(CC3CC3c3cccc(C(=O)OC)c3F)nn2)CC1,JHNLFRPIGQBOJD-UHFFFAOYSA-N
+rxn:1:56454:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC4c4cc(F)cc(C(=O)OC)c4)nn3)nc2)CC1,DCKVVEBBQIODBE-UHFFFAOYSA-N
+rxn:1:56568:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(F)c(C(=O)OC)c3)nn2)CC1,XRKFZUGJIORNPL-UHFFFAOYSA-N
+rxn:1:56570:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC4c4cc(C(=O)OC)cnc4Cl)nn3)nc2)CC1,XAARAIJPHQTYPL-UHFFFAOYSA-N
+rxn:1:56600:25079,CN(C)C1(CN2CC(c3cn(CC4CC4c4c[nH]c(C(=O)C(Cl)(Cl)Cl)c4)nn3)CC2=O)CCOCC1,LKYIRODOYBWCMQ-UHFFFAOYSA-N
+rxn:1:56747:31938,CC(C)(C)OC(=O)N1CSCC1c1cn(CC2CC2c2cccc(N3CCNCC3)c2)nn1,PFKOHJPSUVUNHU-UHFFFAOYSA-N
+rxn:1:56747:35538,CC1=CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cccc(N4CCNCC4)c3)nn2)CC1,VGEZAXMIENGXPG-UHFFFAOYSA-N
+rxn:1:56783:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5CC5c5n[nH]c6c([N+](=O)[O-])cccc56)nn4)ncn3)CC2)OC1(C)C,GZPQXZWQPUGEBJ-UHFFFAOYSA-N
+rxn:1:57531:30262,O=Cc1cccnc1CCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1,XIBGGNPBDCBLHL-MUAVYFROSA-N
+rxn:1:57599:29899,O=C(NCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccc2F)CCOc2ccccc23)nn1)C1CCCC1,MFRMBSYBYHUUPM-SETSBSEESA-N
+rxn:1:59626:29829,Cc1nnsc1C(=O)N1CCC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)CC1,RTUPFWNLLSIGMD-QABMSTFYSA-N
+rxn:1:59653:31876,CCOc1ccc(C(=O)N2CCC(n3cc(-c4ccncc4B4OC(C)(C)C(C)(C)O4)nn3)CC2)cc1,ANYAOISBPKYTEK-UHFFFAOYSA-N
+rxn:1:59653:33490,CCOc1ccc(C(=O)N2CCC(n3cc(-c4nc(Br)cnc4NC(=O)C4(C)CCCCC4)nn3)CC2)cc1,GPMMRQUPECLXNR-UHFFFAOYSA-N
+rxn:1:59751:11938,CCC(C(=O)N1CCC(n2cc(CCCN3CCNCC3)nn2)CC1)c1ccccc1,CBCLBCITPOTKJB-UHFFFAOYSA-N
+rxn:1:59751:31048,CCC(C(=O)N1CCC(n2cc(CCCCN3CCNCC3)nn2)CC1)c1ccccc1,XQAYJELGDYMJCF-UHFFFAOYSA-N
+rxn:1:59804:29829,Cn1nc(C(=O)N2CCC(n3cc(C(=O)N4CC[C@H]5C[C@@H]4C(=O)NCCN(Cc4ncccc4F)CCCOc4ccccc45)nn3)CC2)ccc1=O,LAGWMQILAPHCEJ-ZOYWYXQUSA-N
+rxn:1:59877:4085,CCCN1CCN(C(=O)Cn2cc(CSC3=NC(c4ccc(C)cc4)C(C(=O)O)=C(C)N3)nn2)CC1,KTNRQJDSIUAYBT-UHFFFAOYSA-N
+rxn:1:59877:4086,CCCN1CCN(C(=O)Cn2cc(CSC3=NC(c4ccccc4C)C(C(=O)O)=C(C)N3)nn2)CC1,MHGYVASEWKNGHP-UHFFFAOYSA-N
+rxn:1:59895:29829,CCN1CCN(C(=O)Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)CC1,YKMVSQJICFTLDR-SETSBSEESA-N
+rxn:1:60020:12178,CC(C)(C)OC(=O)N1C(c2cn(C3C=C(C#N)CC3)nn2)CC1(C)C,SBXGDCYTKHYABQ-UHFFFAOYSA-N
+rxn:1:60185:34725,CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cn([C@@H]3CCN(C(=O)OC(C)(C)C)CC3(F)F)nn2)nc1,FHEKSLTUQDKDEY-RTBURBONSA-N
+rxn:1:60222:9835,CC(=Cc1ccccc1)C(=O)N1CCC(n2cc(CSc3nc4c(c(=O)[nH]3)C(c3cccc(F)c3F)CC(=O)N4)nn2)CC1,WYEXCTHOQFIJLF-UHFFFAOYSA-N
+rxn:1:60314:13591,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cccc(C(=O)OCC4(C)COCOC4)c3)nn2)CC1,NQPDCWUYHDMLJV-UHFFFAOYSA-N
+rxn:1:60314:35756,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cc(Br)cnc3NC(=O)CC3(C)OCCO3)nn2)CC1,FMMRYQZVNGQIDT-UHFFFAOYSA-N
+rxn:1:60331:17461,COc1ccc(-n2nc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)cc2C2CCCCC2)cc1OC,UDYDNVUYAIXQRQ-UHFFFAOYSA-N
+rxn:1:60364:2606,COc1ccc(Cl)cc1NC(=O)N1CCC(n2cc(-c3cncc(B4OC(C)(C)C(C)(C)O4)c3)nn2)C1,KRPIDAQMFCPHGS-UHFFFAOYSA-N
+rxn:1:60572:20689,CC(C)(C)NC(=O)NC1(c2cn(-c3ccccc3C(F)(F)C(=N)Sc3nnc[nH]3)nn2)CCCCC1,XBROLXUSTPZCHV-UHFFFAOYSA-N
+rxn:1:60909:11604,CCN(CCn1cc(CSc2nc3cc(C(=O)N4CCN(C)CC4)ccc3[nH]2)nn1)C1CCSC1,CLHTVNMCSJCAMD-UHFFFAOYSA-N
+rxn:1:60914:33948,CCN(C(=O)Cn1cc(-c2ccc(NC(=O)C(C)(C)CCl)cn2)nn1)C1CCSCC1,CYZJLVUOTXCXKP-UHFFFAOYSA-N
+rxn:1:60942:32879,Cc1ccc(NC(=O)[C@H]2C[C@H](Cl)C2)cc1-c1cn(CC(=O)N2CCC(C)(CF)CC2)nn1,QCHNLZKTUQPGCZ-QAQDUYKDSA-N
+rxn:1:60942:33367,CN1CCCC1C(=O)Nc1cncc(-c2cn(CC(=O)N3CCC(C)(CF)CC3)nn2)c1,NPXUEVKIKUQEFG-UHFFFAOYSA-N
+rxn:1:60942:33957,CC1=CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCC(C)(CF)CC4)nn3)c2)CC1,WUXNICUKNZVNLJ-UHFFFAOYSA-N
+rxn:1:60942:34426,Cc1cc(C(=O)N(C)CC2CC2)ccc1-c1cn(CC(=O)N2CCC(C)(CF)CC2)nn1,NKJVPNBYLBUJFB-UHFFFAOYSA-N
+rxn:1:60942:35303,CCC1(C(=O)Nc2ccc(C)c(-c3cn(CC(=O)N4CCC(C)(CF)CC4)nn3)c2)COC1,ZGHZPPMVLRUCQY-UHFFFAOYSA-N
+rxn:1:60945:8429,COCC1(C)CCN(CCn2cc(C(=O)N3CCC(c4csc(Nc5ccc(F)cn5)n4)CC3)nn2)CC1,VRSWMUPVHLJEIP-UHFFFAOYSA-N
+rxn:1:60982:33772,CC(F)(F)C1CCN(CCn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(C)(C)C)CC4)cn3)nn2)CC1,ICFQPHBBVIVOKK-MXVIHJGJSA-N
+rxn:1:61019:34725,CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cn(CC(=O)N3CCN(CCF)CC3)nn2)nc1,LEIGVCBDCOXMSM-LJQANCHMSA-N
+rxn:1:61021:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC(=O)N3CC4CCCC(F)(F)C4C3)nn2)c2ccccc2OCC1,UQIXBNZGHLPURF-QXAQLEHZSA-N
+rxn:1:61054:30264,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CCN3CC(CF)C3)nn2)c2cc(C3CC3)ccc2OCC1,KVWSDIYHOYVGTG-LBNVMWSVSA-N
+rxn:1:61061:29898,COCC1CCCN(C(=O)Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccc(F)cn3)CCOc3ccccc34)nn2)C1,QDJVSVXRQWDPIY-GUZQUQQNSA-N
+rxn:1:61102:33367,CN1CCCC1C(=O)Nc1cncc(-c2cn(CC(=O)N3CCC(CCF)CC3)nn2)c1,OCNURSJBPKRMPS-UHFFFAOYSA-N
+rxn:1:61102:33752,CC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1-c1cn(CC(=O)N2CCC(CCF)CC2)nn1,PUYHNUXLWGQANY-NRFANRHFSA-N
+rxn:1:61102:33957,CC1=CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCC(CCF)CC4)nn3)c2)CC1,ANNUUKBNRLTNRQ-UHFFFAOYSA-N
+rxn:1:61108:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC(=O)N3CCC(CF)CC3)nn2)c2ccccc2OCC1,KJDKDBNFTPRAHH-JYFHCDHNSA-N
+rxn:1:61108:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC(=O)N4CCC(CF)CC4)nn3)c2)C1,DRADMSNRCQUTHH-UHFFFAOYSA-N
+rxn:1:61111:30048,CC(=O)N1CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CC(=O)N4CCC(F)C4)nn3)[C@H](C2)C(=O)NCC1,CYAMNGBYCKDRLG-WRLRJORWSA-N
+rxn:1:61114:30149,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC(=O)N3CC(F)(F)C3)nn2)c2cc(C3CC3)ccc2OCCC1,MBOPYQWDXFILER-BVAGGSTKSA-N
+rxn:1:61118:30089,CC(=O)N1CCCNC(=O)C2CCN(C(=O)c3cn(CC(=O)N4CCCC(F)(F)C4)nn3)C(C2)c2ccccc2OCC1,SXGPFUJKEGKLDB-UHFFFAOYSA-N
+rxn:1:61146:29829,CCOCC(=O)N1CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)C1,OPCPWRIADXASPB-MUAVYFROSA-N
+rxn:1:61191:37573,CC(=O)c1ccc(C(=O)N2CC(n3cc(-c4cc(F)ccc4CN4CCC(O)C(C)(C)C4)nn3)C2)s1,APXFGEOKRJXESO-UHFFFAOYSA-N
+rxn:1:61214:29084,CC1(C)OB(C(F)=Cc2cn(Cc3cn(C4CN(C(=O)c5cc[nH]c(=O)c5)C4)nn3)nc2-c2cccs2)OC1(C)C,LUUHBWHGBLRRQP-UHFFFAOYSA-N
+rxn:1:61244:29829,CCCCC(=O)N1CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)C1,CGOJRSCUHCOQGK-QABMSTFYSA-N
+rxn:1:61255:39206,CC(C)(C)C1CCC(N2CC(n3cc(COC(=O)c4cc(Cl)c5[nH]c(-c6ccc(Br)cc6)nc5c4)nn3)C2)CC1,DUHBIZGBIQSUBJ-UHFFFAOYSA-N
+rxn:1:61255:39209,CC(C)(C)C1CCC(N2CC(n3cc(COC(=O)c4cc(Br)c5[nH]c(-c6ccc(Cl)cc6)nc5c4)nn3)C2)CC1,WWRKDUYIAYLGDN-UHFFFAOYSA-N
+rxn:1:61255:39210,CC(C)(C)C1CCC(N2CC(n3cc(COC(=O)c4cc(Br)c5[nH]c(-c6ccc(Br)cc6)nc5c4)nn3)C2)CC1,WGVMOPJDYLLKEL-UHFFFAOYSA-N
+rxn:1:61255:39211,CC(C)(C)C1CCC(N2CC(n3cc(COC(=O)c4cc(Br)c5[nH]c(-c6ccc(I)cc6)nc5c4)nn3)C2)CC1,LXYOXHOYYLJXLB-UHFFFAOYSA-N
+rxn:1:61264:29846,CC(=O)N1CCC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3cc(Br)ccc3Cl)CCOc3ccccc34)nn2)CC1,REMPVIPQSNIFAY-QXNWPYRLSA-N
+rxn:1:61483:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N(C)C4CCC4)s3)nn2)CC1,ZGOVXNYIWHZWOA-UHFFFAOYSA-N
+rxn:1:61499:30274,O=C(N[C@H]1CONC1=O)c1ccc(Cn2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc34)nn2)s1,GJPAOZMERGPAQP-AIGMYPEUSA-N
+rxn:1:61541:29826,O=C(O)c1ccc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(Cc3ccncc3F)CCCOc3ccccc34)nn2)nc1,QDNHBWVDRADLQJ-KDYSTLNUSA-N
+rxn:1:61541:29889,O=C(O)c1ccc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ccncc3F)CCOc3ccccc34)nn2)nc1,GGICIQHQMAVFBF-KDYSTLNUSA-N
+rxn:1:61545:22779,CC(C)(C)OC(=O)N1CC=CC1Cn1cc(-c2cncc(-n3nc(C4CCCCC4)cc3I)c2)nn1,UWCUYJZMNTVTNU-UHFFFAOYSA-N
+rxn:1:61813:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(-c2ncc(Br)cc2Cl)nn1,TUBGRQRTGCNPMA-UHFFFAOYSA-M
+rxn:1:62014:31134,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cn(-c4ccc(C(=O)N5CCC(CO)CC5)cc4)nn3)cc2)CC1,SUVFHIPNGSFZPD-UHFFFAOYSA-N
+rxn:1:62052:21528,Cn1cnc(S(=O)(=O)Nc2cccc(-c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)c2)c1,NPELVBCJHOEONL-UHFFFAOYSA-N
+rxn:1:62052:22281,CS(=O)(=O)c1cnn(-c2ccc(-c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)cc2)c1N,IOJIKKKJMVZBMC-UHFFFAOYSA-N
+rxn:1:62052:22306,CS(=O)(=O)c1cnn(-c2ccc(-c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)cc2)c1O,PQJSMXWGNBZAID-UHFFFAOYSA-N
+rxn:1:62052:39687,CS(=O)(=O)Nc1cccc(-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)c1,QOTLBVYXJXQJSL-UHFFFAOYSA-N
+rxn:1:62271:14730,CN(C)C(=O)c1cc(F)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,NBMMHVJVFQSWQG-UHFFFAOYSA-N
+rxn:1:62271:28447,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)C1CC(F)(F)C1,YTWSPIYRKZSJCR-UHFFFAOYSA-N
+rxn:1:62271:29719,O=C(c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1)N1CC(F)(F)C1,MXXPZTHAWMNGTH-UHFFFAOYSA-N
+rxn:1:62271:38129,N=C(Sc1nnc[nH]1)C(F)(F)c1ccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1,YIGSXGONYBVEEH-UHFFFAOYSA-N
+rxn:1:62271:39000,C[Si](C)(C)OC(=O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BKQXIATUXFHRRS-UHFFFAOYSA-N
+rxn:1:62352:13007,CC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(-c3cccc(C(=O)OCc4cc(Br)cs4)c3)nn1)CN2,GTPXYXXLQYOZCY-UHFFFAOYSA-N
+rxn:1:62352:13723,CC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(-c3ccc(C(=O)OCc4cc(Br)cs4)cc3)nn1)CN2,GPBROBYHAUMODN-UHFFFAOYSA-N
+rxn:1:62352:8321,CC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(C(=O)N3CCCC(c4cccc(-c5ccc(F)cc5)n4)C3)nn1)CN2,FLUJQDZDNSWBAY-UHFFFAOYSA-N
+rxn:1:62417:12973,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3cccc(C(=O)Nc4ccc(I)nn4)c3)nn2)C2(CCOCC2)C1,IMFFTLDGQBAPJT-UHFFFAOYSA-N
+rxn:1:62475:34422,CN1CCC[C@H]1C(=O)Nc1ccncc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CCC2(F)F)nn1,WVLSPXZVFIGFMO-XJDOXCRVSA-N
+rxn:1:64774:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5ccc(Br)nc5Cl)C4)nn3)nc2)CC1,MISHIAVWQSRSAK-YIQCUVMYSA-N
+rxn:1:64938:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5nc(Cl)ncc5I)C4)nn3)nc2)CC1,JFEJTBNRCJJMHS-ZNUUHSPMSA-N
+rxn:1:64976:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5ncc(Br)nc5Cl)C4)nn3)nc2)CC1,CZCXWTKUBCDRQC-ZNUUHSPMSA-N
+rxn:1:65397:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cncc(Br)c5Cl)C4)nn3)nc2)CC1,IGARUGIKVPFARM-YIQCUVMYSA-N
+rxn:1:65436:32455,CC(C)(C)OC(=O)N1CCOCC(c2cn(CC3CC(=O)N(c4nccc(-c5cccnc5)n4)C3)nn2)C1,ZETBSKLFTJIHMA-UHFFFAOYSA-N
+rxn:1:65446:29899,O=C(O)c1n[nH]c(N2CC(Cn3cc(C(=O)N4CC[C@H]5C[C@@H]4C(=O)NCCCN(Cc4ncccc4F)CCOc4ccccc45)nn3)CC2=O)n1,MWABAFRNDVTLGP-GYZHRQORSA-N