Added 202 molecules from epoch 17163 for Q6P6W3

Q6P6W3_molecules.csv

@@ -32039,3 +32039,205 @@ rxn:2:98035:156343,CC(=O)c1ccc(C2C(CCSC(C)NC3(c4nc(C(C)C)nn4C)CCCC3)C2(F)F)cn1,B
 rxn:2:98164:141610,CC(NCC1(S(=O)(=O)C2CCCCC2)CC1)c1ccc(S(=O)(=O)[O-])cc1,UJTOPCLHILLHSX-UHFFFAOYSA-M
 rxn:2:98694:171379,CCCC(NC1CCN([C@]2(C)CC[C@@H](OCC)CC2)CC1)c1ccc(-c2ccc3cnn(C)c3c2)cc1,KUDIUBXFEXEBED-NUCBDOEESA-N
 rxn:2:99024:145177,CCc1cc(N2CCC(NCCN3CCC(C)(COC)CC3)CC2)nc(-c2cccnc2)n1,VXZXAXSGDPHUMH-UHFFFAOYSA-N
+rxn:1:11188:63947,O=C1CC(Cn2cc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3Cl)nn2)CN1C(CO)CO,XLDXMYGZMFMCKZ-UHFFFAOYSA-N
+rxn:1:11271:62052,CS(=O)(=O)N(Cc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1)c1ccccc1,LGRBUBYANDWTPO-UHFFFAOYSA-N
+rxn:1:11558:62052,N=c1c2nc(-n3cc(CN(c4cccc(Br)c4)S(=O)(=O)c4ccccc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,SPCKMMWFXZUUOG-UHFFFAOYSA-N
+rxn:1:13692:56717,CN1C(C)(C)CC(OC(=O)c2ccc(-c3cn(CC4CC4c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)cc2)CC1(C)C,ONUBSEANHFRSPC-UHFFFAOYSA-N
+rxn:1:14071:54469,CCN1CCC(Nc2cccc(-c3cn(CCC4C(c5cc(O)c(O)c(OC)c5)C4(F)F)nn3)c2)CC1,SEYMARXQZGANQM-UHFFFAOYSA-N
+rxn:1:1488:54465,O=S(=O)(O)c1ccccc1C1C(CCn2cc(C3CCN(S(=O)(=O)C4CC4)CC3)nn2)C1(F)F,NPDSSYRDBMRYJR-UHFFFAOYSA-N
+rxn:1:14889:54966,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(S(=O)(=O)c2ccc(Br)cc2)nn1,RZTMDNNWKYZRSX-VPNBNBKUSA-M
+rxn:1:14889:54977,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(S(=O)(=O)c2ccc(F)cc2)nn1,VHFAXHSCTKDRSQ-VPNBNBKUSA-M
+rxn:1:1494:44774,CS(=O)(=O)N(Cc1cn(CCC#Cc2cncc([N+](=O)[O-])c2Cl)nn1)C1CCCCC1,OGAITEXYQLBRMJ-UHFFFAOYSA-N
+rxn:1:16746:60331,COc1cccc(-n2ncc(-c3cn(C(C)(C)C4c5ccccc5OCC5=CNNN54)nn3)c2C2CCCCC2)c1C,LSLZSLIIECPUND-UHFFFAOYSA-N
+rxn:1:17361:59582,COc1cc(OC)cc(-n2nc(-c3cn(-c4ccc(C=C(F)B5OC(C)(C)C(C)(C)O5)cc4)nn3)cc2C2CCCC2)c1,WMZDWBMYRICJML-UHFFFAOYSA-N
+rxn:1:1909:53145,CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(CCC5CC5c5c[nH]c6nc(Cl)nc(Cl)c56)nn4)c3c2)CC1,PSZGZIDEHUSNJK-UHFFFAOYSA-N
+rxn:1:1909:61280,CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(C5CN(Cc6c(F)cccc6F)C5)nn4)c3c2)CC1,JABKSPJNONYKSM-UHFFFAOYSA-N
+rxn:1:1917:61935,CC(C)(C)[Si](C)(C)OCCn1cc(C(NC2=NCCO2)C2CC2)nn1,KNOHJNXERGTVQP-UHFFFAOYSA-N
+rxn:1:20526:59582,COc1ccc(C(C)n2nc(C3CC3)cc2-c2cn(-c3ccc(C=C(F)B4OC(C)(C)C(C)(C)O4)cc3)nn2)c(O)c1,OIXDBXXMTVAZQH-UHFFFAOYSA-N
+rxn:1:20877:60945,CCC(c1cccc(C)c1)n1nc(C2CCC2)cc1-c1cn(CCN2CCC(C)(COC)CC2)nn1,PBHCZPMBOXCNKB-UHFFFAOYSA-N
+rxn:1:20913:60895,CCC(c1cc(F)ccc1C)n1nc(C2CCC2)cc1-c1cn(CC(=O)N2CC(OC)C(OC)C2)nn1,KJCQDWHTAOPQBU-UHFFFAOYSA-N
+rxn:1:25009:50696,CCOC(=O)c1nnc(N2CC(c3cn(CC4C(c5ccc(OC)c(OC)c5)C4(F)F)nn3)CC2=O)s1,YUCYGQBNKQBZHD-UHFFFAOYSA-N
+rxn:1:29072:62397,COC(=O)[C@H]1C[C@H](n2cc(Cn3nc(-c4cccnc4)cc3C=C(F)B3OC(C)(C)C(C)(C)O3)nn2)C1,YIQOYHMMWREIPE-UAPYVXQJSA-N
+rxn:1:29454:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)CC2)cc1,MLPWFJTUQYHTBW-UHFFFAOYSA-N
+rxn:1:29909:61756,CN1CC2(CCCN(Cc3nccs3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCOCCBr)nn1)CC2,NZUYWMMJJBWYJQ-UHFFFAOYSA-N
+rxn:1:30037:62042,O=C(Cl)COCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)c2cccnn2)CCCOc2ccccc23)nn1,DSOKZRKXPRXDKO-GBXCKJPGSA-N
+rxn:1:30261:39960,O=C(Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1)ON1C(=O)CCC1=O,VJIKPZNAHDZQSG-WMZHIEFXSA-N
+rxn:1:30261:51538,O=C(Cl)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1,PSAYZFHTUMSOCO-LAUBAEHRSA-N
+rxn:1:30261:62042,O=C(Cl)COCCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1,SBTLLUCFTUVRCS-WMZHIEFXSA-N
+rxn:1:30262:51523,O=C(O)c1ncccc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc23)nn1,BPZZGSBCWXGVGK-YADARESESA-N
+rxn:1:30502:56134,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3cccc(C(F)(F)F)n3)nn1)CCO2,YQRVQVWTOXLSSR-UHFFFAOYSA-N
+rxn:1:30502:61554,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ccc(C(F)(F)F)nc3)nn1)CCO2,VRVALNOQPZPTSP-UHFFFAOYSA-N
+rxn:1:30502:62533,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncccc3C(F)(F)F)nn1)CCO2,YVNAUYXULDPCKF-UHFFFAOYSA-N
+rxn:1:30502:62534,CC(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(-c3ncc(C(F)(F)F)s3)nn1)CCO2,HTEPDVRCTFOGRY-UHFFFAOYSA-N
+rxn:1:31596:62271,CN1CC(F)(F)C(O)(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)C1=O,CQDRLVOORDDZMG-UHFFFAOYSA-N
+rxn:1:32997:45290,O=S(=O)(O)c1ccccc1C#CCCn1cc(C2(NS(=O)(=O)c3cc(Cl)ccc3Cl)CCCCC2)nn1,VRVDCMKSWYJFJT-UHFFFAOYSA-N
+rxn:1:35870:52620,CC(C)(C)OC(=O)N1CCC(=Cc2cccc(-c3cn(CCC4CC4c4c[nH]c5ncc(Br)cc45)nn3)c2F)C1,JKWMIVAPYKURPJ-UHFFFAOYSA-N
+rxn:1:37247:57044,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCCc5nc(Br)cs5)nn4)c3F)C2)C1,KHVUKJJZEQUDPS-UHFFFAOYSA-N
+rxn:1:40115:32448,CC(C)(C)OC(=O)N1C2CCC1(c1cn(CCP(=O)(O)O)nn1)CNC2,FCMAPDLEMDKREX-UHFFFAOYSA-N
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+rxn:1:40290:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCCF)nn1)CC2,MUDYCIXQDVYKMB-UHFFFAOYSA-N
+rxn:1:41909:30245,CN1CC2(CCN(C(=O)c3cn(CC#Cc4cc[nH]n4)nn3)CC2)CCN(C(=O)C2CC(F)(F)C2)CCCn2nc(ccc2=O)C1=O,GZFBQLATDSGVDH-UHFFFAOYSA-N
+rxn:1:42412:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCCBr)nn1)CC2,MAYQFXXETNKZMH-UHFFFAOYSA-N
+rxn:1:42526:30262,Cc1c(C#CCn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc34)nn2)cccc1CO,ZAZLQUMWPVZLJB-SUYBVONHSA-N
+rxn:1:42684:29052,CC1(C)OB(C(F)=CCCc2cn(CC#Cc3cccc(C(=O)O)n3)nn2)OC1(C)C,DFHYYTDNVNAUPI-UHFFFAOYSA-N
+rxn:1:42870:29899,O=C(O)c1ccc(Cl)c(C#CCn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ncccc3F)CCOc3ccccc34)nn2)c1,XWLXBEJZWXQTBY-NRUKRWIHSA-N
+rxn:1:43446:9257,COc1cc(C=C2C(=O)ON=C2C)cc(Cl)c1OCc1cn(CC#Cc2cccc(N3CCNCC3)c2)nn1,MQLDTOJKJXZQIT-UHFFFAOYSA-N
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