Added 202 molecules from epoch 17164 for Q6P6W3
Browse files- Q6P6W3_molecules.csv +202 -0
Q6P6W3_molecules.csv
CHANGED
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@@ -32241,3 +32241,205 @@ rxn:1:63266:9437,COc1ccc2sc(N3CC(Cn4cc(COC(=O)N5CCN(c6cccc(Cl)c6)CC5)nn4)CC3=O)n
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| 32241 |
rxn:1:63327:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5OC)C4)nn3)c2)C1,GHXVLDJPKPDRKB-UHFFFAOYSA-N
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| 32242 |
rxn:1:64651:14889,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(S(=O)(=O)c2ccc(Cl)cc2)nn1,PZRUDKGYWSFMAO-VPNBNBKUSA-M
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| 32243 |
rxn:1:7558:53103,CC(C=CC1=C(C)CCCC1(C)C)=Cc1cn(CCC2CC2c2ccc3nccc(Cl)c3c2)nn1,SDIIXCRNFUGRFL-UHFFFAOYSA-N
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| 32241 |
rxn:1:63327:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5OC)C4)nn3)c2)C1,GHXVLDJPKPDRKB-UHFFFAOYSA-N
|
| 32242 |
rxn:1:64651:14889,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(S(=O)(=O)c2ccc(Cl)cc2)nn1,PZRUDKGYWSFMAO-VPNBNBKUSA-M
|
| 32243 |
rxn:1:7558:53103,CC(C=CC1=C(C)CCCC1(C)C)=Cc1cn(CCC2CC2c2ccc3nccc(Cl)c3c2)nn1,SDIIXCRNFUGRFL-UHFFFAOYSA-N
|
| 32244 |
+
rxn:3:11519:62781:120779,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CC3)C2)nn1,NTLLUYCRJSHYSW-UHFFFAOYSA-O
|
| 32245 |
+
rxn:3:11519:62781:85432,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CCCC4C3C4(F)F)C3CC3)C2)nn1,BUPVBHBIQRCHKP-UHFFFAOYSA-O
|
| 32246 |
+
rxn:3:11519:62782:74279,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CC3(F)F)C3CCCC3)C2)nn1,PYVCNTZHPIGBMW-UHFFFAOYSA-O
|
| 32247 |
+
rxn:3:11519:62782:85432,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CCCC4C3C4(F)F)C3CCCC3)C2)nn1,MQHHMYWUETXZNM-UHFFFAOYSA-O
|
| 32248 |
+
rxn:3:12137:59852:104224,COC[C@H]1C[C@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5ccncc5)nn4)C3)CCO2)C1,URNWMYXOXGGVPA-OGFOOKBVSA-N
|
| 32249 |
+
rxn:3:12137:59852:72845,COCCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5ccncc5)nn4)C3)CCO2)CCC1,GBJLULBNCOBLLM-ZJBPFHOOSA-N
|
| 32250 |
+
rxn:3:12137:59852:84067,COC[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5ccncc5)nn4)C3)CCO2)C1,URNWMYXOXGGVPA-VITWDKBESA-N
|
| 32251 |
+
rxn:3:12139:59852:72845,COCCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(C(F)(F)c5cncnc5)nn4)C3)CCO2)CCC1,KFRCKUXBFSUZEB-SAMMEDMISA-N
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| 32252 |
+
rxn:3:1251:64126:110719,CN(C)c1ccc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)NOCC(C)(F)F)CC4)C3)nn2)cn1,RZCVWZHXXRIHIW-DDAAKYIKSA-N
|
| 32253 |
+
rxn:3:13895:49937:124826,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CC(C)(F)C4)C3(F)F)nn2)CC1,QKWSVLXOBJKDRG-HEAPWORJSA-N
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| 32254 |
+
rxn:3:13895:49937:131041,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCc5cscc5C4)C3(F)F)nn2)CC1,ZOOQZZMLAHTOQC-GZHGOFQJSA-N
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| 32255 |
+
rxn:3:13895:49937:133641,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCSC4)C3(F)F)nn2)CC1,MEZGRENDMXJVLX-OADNRJCRSA-N
|
| 32256 |
+
rxn:3:13895:49937:134358,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC(C)=[Se])C3(F)F)nn2)CC1,CJWGSOFKYWTLSU-KLHFOMLHSA-N
|
| 32257 |
+
rxn:3:13895:49937:135050,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCC(C)c5ccccc5C4)C3(F)F)nn2)CC1,YUTPGAZVUABVAH-IRLQGCIMSA-N
|
| 32258 |
+
rxn:3:13895:49937:71470,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccsc4)C3(F)F)nn2)CC1,COGPPHMKPKVQAF-DCEJCQMCSA-N
|
| 32259 |
+
rxn:3:13895:49937:93519,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cn[nH]c4C(=O)NC4C(F)CC5CC54)C3(F)F)nn2)CC1,RHGVCVOKPBSBOA-DKPYIJGUSA-N
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| 32260 |
+
rxn:3:17656:59852:140566,CCCc1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCCCO5)C4)C3)nn2)nn1CC(F)(F)F,BFJMXSLYDSYHSS-GALNSSNKSA-N
|
| 32261 |
+
rxn:3:17887:59852:121443,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOS(C)(=O)=O)C4)C3)nn2)c1,DKLADSZAKJMRRC-VJOPYQGCSA-N
|
| 32262 |
+
rxn:3:18162:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4c5c(nn4CCF)CCSC5)nn3)C2)CCO1,AUUSFKAETNCDEQ-KFKFVUQKSA-N
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| 32263 |
+
rxn:3:20088:59852:124332,N#Cc1cnc2nc(SCc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6CCCCC(F)(F)C6)C5)C4)nn3)nn2c1,GMWUEYKGSYHOME-WWJVRYKKSA-N
|
| 32264 |
+
rxn:3:20088:59852:140611,N#Cc1cnc2nc(SCc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6CCCC(F)(F)C6)C5)C4)nn3)nn2c1,WBUUIOXTNPVKAF-JJZDCNPZSA-N
|
| 32265 |
+
rxn:3:20088:59852:66152,N#Cc1cnc2nc(SCc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6CCC(F)(F)C6)C5)C4)nn3)nn2c1,ZHOWFLDUFRPJSP-KJJOEJEFSA-N
|
| 32266 |
+
rxn:3:20088:62782:100500,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC5CC6CC(F)(F)C6C5)C5CCCC5)C4)nn3)nn2c1,KFXBSLTVFARFCN-UHFFFAOYSA-N
|
| 32267 |
+
rxn:3:20088:62782:81112,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC[C@H]5CC(F)(F)CO5)C5CCCC5)C4)nn3)nn2c1,VHCQWIQOQQNXKP-PWOUQQLPSA-N
|
| 32268 |
+
rxn:3:20088:62782:83471,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC[C@H]5CC5(F)F)C5CCCC5)C4)nn3)nn2c1,VVZJJASUMDUJOS-BPVAQJAMSA-N
|
| 32269 |
+
rxn:3:20088:62784:100500,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N(C(C(=O)NC5CC6CC(F)(F)C6C5)C5CCCCC5)C4)nn3)nn2c1,QRKMMWBRXZOJAZ-UHFFFAOYSA-N
|
| 32270 |
+
rxn:3:20088:62824:100500,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N([C@@H](C(=O)NC5CC6CC(F)(F)C6C5)C5=CCC=CC5)C4)nn3)nn2c1,OBTSDAXDCOQKLS-BOTOKFRQSA-N
|
| 32271 |
+
rxn:3:20088:62824:81112,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N([C@@H](C(=O)NC[C@H]5CC(F)(F)CO5)C5=CCC=CC5)C4)nn3)nn2c1,QPWPRGIPVIPPSF-XQAYDEMESA-N
|
| 32272 |
+
rxn:3:20088:62824:81196,N#Cc1cnc2nc(SCc3cn(CC4CC(=O)N([C@@H](C(=O)NCC5CC(F)(F)CO5)C5=CCC=CC5)C4)nn3)nn2c1,QPWPRGIPVIPPSF-MUEFNIMKSA-N
|
| 32273 |
+
rxn:3:21523:62466:86223,CC(C)Cc1cc(-c2cn(C3CCC(C(=O)NC4CCCCCC4(C)C)C4CCC43)nn2)n(C(C)C(F)(F)F)n1,AOPXHYCCYTZDLD-UHFFFAOYSA-N
|
| 32274 |
+
rxn:3:23148:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4CN(CCF)C4)nn3)C2)CCO1,OSNYFVYZZGHOBP-CMCURQENSA-N
|
| 32275 |
+
rxn:3:23186:62784:83860,N#C[C@@H]1C[C@@H]1c1cn(CC2CC(=O)N(C(C(=O)Nc3cccc(OS(=O)(=O)F)c3)C3CCCCC3)C2)nn1,MCNPPVRKFLMRGA-PRAWCVFXSA-N
|
| 32276 |
+
rxn:3:23186:63963:84946,N#C[C@@H]1C[C@@H]1c1cn(CC2CC(=O)N(C3(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)CCCC3)C2)nn1,ZMKTVITUMYIMDU-WSTRIDTPSA-N
|
| 32277 |
+
rxn:3:23186:63966:84946,N#C[C@@H]1C[C@@H]1c1cn(CC2CC(=O)N(C3(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)CCCCC3)C2)nn1,QAZMVGCQLLFUII-ZDZADGERSA-N
|
| 32278 |
+
rxn:3:23188:65592:94102,N#CC1(Cc2cn(CC3CC(=O)N(c4nnc(CC(=O)NC(c5ccsc5)C5CCC5)[nH]4)C3)nn2)CC(F)(F)C1,FBCOGZUPOPMSFJ-UHFFFAOYSA-N
|
| 32279 |
+
rxn:3:23188:65592:95878,N#CC1(Cc2cn(CC3CC(=O)N(c4nnc(CC(=O)NC(c5cccs5)C5CCCC5)[nH]4)C3)nn2)CC(F)(F)C1,XSSDYLQIOSPNQB-UHFFFAOYSA-N
|
| 32280 |
+
rxn:3:24206:63988:93531,CC(c1cn(CC2CC(=O)N(CC(=O)N[C@@H](c3ccsc3)C3CCOCC3)C2)nn1)N1CCC(F)(F)CC1,AIAFMUATVANMMQ-ZPHNUYGRSA-N
|
| 32281 |
+
rxn:3:24206:64902:112976,CC(c1cn(CC2CC(=O)N(c3ccncc3C(=O)NO[Si](C)(C)C)C2)nn1)N1CCC(F)(F)CC1,VGNBSVUDQRAISP-UHFFFAOYSA-N
|
| 32282 |
+
rxn:3:24206:65592:70776,CC(c1cn(CC2CC(=O)N(c3nnc(CC(=O)NC4CC5(CCOC5)Oc5ccccc54)[nH]3)C2)nn1)N1CCC(F)(F)CC1,MWFMDNHQUOJOKF-UHFFFAOYSA-N
|
| 32283 |
+
rxn:3:24206:65592:76541,CC(c1cn(CC2CC(=O)N(c3nnc(CC(=O)N[C@H]4CCCOc5ccccc54)[nH]3)C2)nn1)N1CCC(F)(F)CC1,WPENOPNFWBMOFJ-GRERDSQWSA-N
|
| 32284 |
+
rxn:3:28706:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCC(F)(F)C4)nn3)C2)CCO1,PNQWHTQTMQIYNF-LGJCEAAXSA-N
|
| 32285 |
+
rxn:3:28707:59852:104224,COC[C@H]1C[C@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5N5CC(F)(F)C5)nn4)C3)CCO2)C1,IALLIXSFRCUTTJ-KOGKCOTNSA-N
|
| 32286 |
+
rxn:3:28707:59852:84067,COC[C@H]1C[C@@H](CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5N5CC(F)(F)C5)nn4)C3)CCO2)C1,IALLIXSFRCUTTJ-NBWBWTHYSA-N
|
| 32287 |
+
rxn:3:29454:59842:122523,O=C(NC1(CC2CCC2)CCC(F)(F)CC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,HCSJLKQBXZBXFK-UPVQGACJSA-O
|
| 32288 |
+
rxn:3:29454:59842:133486,O=C(NCCC(F)(F)C1CCCC1)[C@H]1CC=C[C@H](n2cc(C[N+]34CN5CN(CN(C5)C3)C4)nn2)C1,WFJYRPMFIMOTJD-UGKGYDQZSA-O
|
| 32289 |
+
rxn:3:31939:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cc(N(C)C)ccn5)nn4)C3)CCO2)CS(=O)(=O)C1,YZWKFMUPBCKULO-BIGQVAPZSA-N
|
| 32290 |
+
rxn:3:32254:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cncc(N(C)C)c5)nn4)C3)CCO2)CS(=O)(=O)C1,GKVZUGVIGUNYCO-BIGQVAPZSA-N
|
| 32291 |
+
rxn:3:32254:59852:110719,CN(C)c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOCC(C)(F)F)C4)C3)nn2)c1,XRJWNATYWWKKFW-XXTRANHVSA-N
|
| 32292 |
+
rxn:3:34491:59852:91705,COC(CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(CCF)c4)nn3)C2)CCO1)c1ccsc1,WJOOQOISUMFKLO-MXXMRYTGSA-N
|
| 32293 |
+
rxn:3:35117:59852:112703,C=C(C)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4(OCC)CCS(=O)(=O)CC4)C3)C2)nn1,WWJRTGODSDRZGU-JLMWTWJWSA-N
|
| 32294 |
+
rxn:3:40863:16894:67806,CCCc1c(-c2cn(CC=Cc3cnn([C@@H](C)C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1C1CCC1,AOSWQXKNOGOMER-PZJWPPBQSA-N
|
| 32295 |
+
rxn:3:40863:8716:121387,CCOC1CC(NC(=O)[C@H](C)n2cc(C=CCn3cc(C4CC4(F)F)nn3)cn2)C12CCCCC2,PDPLXBMRYFJVNU-CLDARHQISA-N
|
| 32296 |
+
rxn:3:42683:17569:94016,CCc1cc(-c2cn(CC#Cc3cc(C(=O)NC[C@H]4CCC(F)(F)C4)ccn3)nn2)nn1C1CCCCC1,PJBXEQMLWMJOFV-FQEVSTJZSA-N
|
| 32297 |
+
rxn:3:42686:32413:121163,CC[C@@H](NC(=O)c1cccnc1C#CCn1cc(CCCN2CCN(C)CC2)nn1)c1ccc(OC)cc1,PQINXECVSKJXKL-HHHXNRCGSA-N
|
| 32298 |
+
rxn:3:42689:16977:128133,CCn1ncc(-c2cn(CC#Cc3cnccc3C(=O)NCC(C)(F)c3ccc(OC)cc3)nn2)c1C1CCCCC1,AYPIQWCDHHMTCV-UHFFFAOYSA-N
|
| 32299 |
+
rxn:3:42987:13895:66152,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cnn([C@@H](C)C(=O)NC4CCC(F)(F)C4)c3)nn2)CC1,NEOJOBMQYUPHET-NCYQSSKLSA-N
|
| 32300 |
+
rxn:3:42987:23158:66152,CCN1CCC(c2cn(CC#Cc3cnn([C@@H](C)C(=O)NC4CCC(F)(F)C4)c3)nn2)C1,OZLFSMZFVKFFII-IVMQYODDSA-N
|
| 32301 |
+
rxn:3:43073:2259:114436,CCN1CCC(c2cn(CC#Cc3cnc(C(=O)NC(Cc4ccc(OC)cc4)C4CC4)c(C)c3)nn2)CC1,SRNZMEKYBCSSEO-UHFFFAOYSA-N
|
| 32302 |
+
rxn:3:43231:32083:109017,C=C1CC(c2cn(CC#Cc3cc(OC)cc(C(=O)N[C@@H](c4ccc5c(c4)OCCO5)C4CCC4)c3)nn2)C1,FEZLZQHJQMOJON-SSEXGKCCSA-N
|
| 32303 |
+
rxn:3:43231:6450:106156,C=C(C)Cn1cc(-c2cn(CC#Cc3cc(OC)cc(C(=O)NCC(OC)C4CCCOC4)c3)nn2)cn1,QEEDWBMYCCIJRB-UHFFFAOYSA-N
|
| 32304 |
+
rxn:3:43417:8620:124198,CN(C)C1(c2cn(C3C=CCC(C(=O)NCCC#Cc4ccsc4)C3)nn2)CCC(F)(F)CC1,BBNVDHWAFKPNLH-UHFFFAOYSA-N
|
| 32305 |
+
rxn:3:43417:8620:76044,CN(C)C1(c2cn(C3C=CCC(C(=O)NCCCc4ccsc4)C3)nn2)CCC(F)(F)CC1,HQSCGYMVZMGKSJ-UHFFFAOYSA-N
|
| 32306 |
+
rxn:3:45123:14425:82060,CCCCC1CCC(c2cn(-c3ccc(OC(C)C(=O)NOC4CCCC(F)(F)CC4)cc3)nn2)CC1,NPUVGMJGPZJUDQ-UHFFFAOYSA-N
|
| 32307 |
+
rxn:3:4:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc(N(C)C)nn5)nn4)C3)CCO2)CS(=O)(=O)C1,JKWQXTILBPEELD-FYQIFJIOSA-N
|
| 32308 |
+
rxn:3:4:59852:114276,COCCC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc(N(C)C)nn5)nn4)C3)CCO2)CCS(=O)(=O)C1,QVQBUTKAAPKKFH-KLXXITQFSA-N
|
| 32309 |
+
rxn:3:4:59852:76650,COCC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc(N(C)C)nn5)nn4)C3)CCO2)CS(=O)(=O)C1,PTNQXJQUHJTXEH-IERKJGKXSA-N
|
| 32310 |
+
rxn:3:47746:6119:121377,CCCn1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5COc6cc(OC)ccc65)cn(C5CC5)c4c3F)nn2)c1C1CCCCC1,MRBYYHQEQXFNGZ-GDLZYMKVSA-N
|
| 32311 |
+
rxn:3:48005:17623:94162,O=C(Nc1ccc(CCC2CCC(F)(F)CC2)cc1)c1sccc1-n1cc(-c2cc(C3CCC3)n(C3CCCCC3)n2)nn1,FFSRXSQGKAZQRZ-UHFFFAOYSA-N
|
| 32312 |
+
rxn:3:49822:18028:121692,CCCn1nc2c(c1-c1cn(CC3C(c4sccc4C(=O)N[C@@H](c4sccc4C)C4CCCC4)C3(F)F)nn1)CCCC2,QJKGQQHQXFVYTM-NFSDUTMWSA-N
|
| 32313 |
+
rxn:3:49937:17724:130240,CCCn1nc(-c2cn(CC3C(c4cn[nH]c4C(=O)NC4CCCC(C)(C)CC4)C3(F)F)nn2)cc1C1CCCCC1,XOVSZIDJFLERNO-UHFFFAOYSA-N
|
| 32314 |
+
rxn:3:49937:39459:76071,CN1CCc2cc(-c3cn(CC4C(c5cn[nH]c5C(=O)NCC5CCC(C)(C)CO5)C4(F)F)nn3)ccc21,JVGBFELXBOEZAG-UHFFFAOYSA-N
|
| 32315 |
+
rxn:3:50032:13895:84875,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4scnc4C(=O)NC4CCC[Si](C)(C)CC4)C3(F)F)nn2)CC1,ZLENFQRCXJOAMH-CFKXAFPQSA-N
|
| 32316 |
+
rxn:3:50430:17621:133356,CCn1nc(-c2cn(CC3C(c4cncc(C(=O)NCC5(F)CCCC(C)(C)C5)c4)C3(F)F)nn2)cc1C1CCC1,RPWVHLMFKDUHRG-UHFFFAOYSA-N
|
| 32317 |
+
rxn:3:50430:17639:116072,CCCn1nc(-c2cn(CC3C(c4cncc(C(=O)N[C@@H]5CCCC(C)(C)C5)c4)C3(F)F)nn2)cc1C1CCCC1,KJACHKHTHQBOQY-QXIWCURZSA-N
|
| 32318 |
+
rxn:3:50430:17724:110188,CCCn1nc(-c2cn(CC3C(c4cncc(C(=O)NC5(C)CCCC(F)(F)C5)c4)C3(F)F)nn2)cc1C1CCCCC1,HXXUXTAAEXUSIT-UHFFFAOYSA-N
|
| 32319 |
+
rxn:3:50430:2029:139479,CN1CCCC(c2cn(CC3C(c4cncc(C(=O)NCC(C)(C)C5CCC(F)(F)CC5)c4)C3(F)F)nn2)C1,DTQKQADSLFYZIG-UHFFFAOYSA-N
|
| 32320 |
+
rxn:3:50437:18028:79539,CCCn1nc2c(c1-c1cn(CC3C(c4ncccc4C(=O)N[C@@H](c4sccc4C)C4CCCCC4)C3(F)F)nn1)CCCC2,DDOOAAPTBKEJMI-ZFXBIFTJSA-N
|
| 32321 |
+
rxn:3:50439:15470:125665,CN(C)CCn1cc(-c2cn(CC3C(c4ccnc(C(=O)NC5CCCC(C)(C)C5)c4)C3(F)F)nn2)c(C2CCC2)n1,IEHZRQNYKTVAIF-UHFFFAOYSA-N
|
| 32322 |
+
rxn:3:50439:17621:98273,CCn1nc(-c2cn(CC3C(c4ccnc(C(=O)NC5CCC5(C)C5CC5)c4)C3(F)F)nn2)cc1C1CCC1,NHRHPPQINDIWKI-UHFFFAOYSA-N
|
| 32323 |
+
rxn:3:50439:17653:111335,CCCc1cc(-c2cn(CC3C(c4ccnc(C(=O)Nc5ccsc5C5CCCCC5)c4)C3(F)F)nn2)nn1C1CCCC1,GLYLOBLRDVLOAN-UHFFFAOYSA-N
|
| 32324 |
+
rxn:3:50439:17724:110188,CCCn1nc(-c2cn(CC3C(c4ccnc(C(=O)NC5(C)CCCC(F)(F)C5)c4)C3(F)F)nn2)cc1C1CCCCC1,OIKLOOJBSFLVLU-UHFFFAOYSA-N
|
| 32325 |
+
rxn:3:50439:18557:92915,CCCn1cc(C2CC2)c(-c2cn(CC3C(c4ccnc(C(=O)N[C@@H]5CCOc6ccc(OC)cc65)c4)C3(F)F)nn2)n1,BHKCCPJVAXODGV-MWRHLSOJSA-N
|
| 32326 |
+
rxn:3:50440:13895:134358,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cnccc4C(=O)NC(C)=[Se])C3(F)F)nn2)CC1,CULVJXXBMJLWFR-HYRIKYOOSA-N
|
| 32327 |
+
rxn:3:50440:16798:141284,CCc1c(-c2cn(CC3C(c4cnccc4C(=O)N[C@H]4CCCC[C@@]4(F)CC)C3(F)F)nn2)cnn1C1CCCC1,NXPKCNAUEVMBGN-SJTXDRBMSA-N
|
| 32328 |
+
rxn:3:50440:17569:141284,CCc1cc(-c2cn(CC3C(c4cnccc4C(=O)N[C@H]4CCCC[C@@]4(F)CC)C3(F)F)nn2)nn1C1CCCCC1,HFVDMTMKUVOHIW-YLMSLDFNSA-N
|
| 32329 |
+
rxn:3:50440:17653:141284,CCCc1cc(-c2cn(CC3C(c4cnccc4C(=O)N[C@H]4CCCC[C@@]4(F)CC)C3(F)F)nn2)nn1C1CCCC1,OPBHVGMDJCPLGV-YLMSLDFNSA-N
|
| 32330 |
+
rxn:3:50440:18028:71359,CCCn1nc2c(c1-c1cn(CC3C(c4cnccc4C(=O)N[C@H](c4sccc4C)C4CCCCC4)C3(F)F)nn1)CCCC2,ZZXPZSMTPNXHGY-YMFGIUHLSA-N
|
| 32331 |
+
rxn:3:50440:7760:109377,CCN1CCCC1(C)c1cn(CC2C(c3cnccc3C(=O)N[C@H](c3ccc(OC)cc3)C3CCOCC3)C2(F)F)nn1,LYQCQDXAHQSJRR-FTGLSCPQSA-N
|
| 32332 |
+
rxn:3:50681:18011:136921,CCCn1nc(-c2cn(CC3C(c4c(C)cccc4C(=O)N[C@@H](c4sccc4C)C4CCC4)C3(F)F)nn2)c2c1CCCC2,WPESSKQJKYZWRI-BSBHSVMGSA-N
|
| 32333 |
+
rxn:3:50711:17566:79539,CCc1cc(-c2cn(CC3C(c4cc(C)ccc4C(=O)N[C@@H](c4sccc4C)C4CCCCC4)C3(F)F)nn2)nn1C1CCC1,OSZALYMCPNOVFL-DPPLGKONSA-N
|
| 32334 |
+
rxn:3:50788:38467:84875,C[C@@H](C(=O)NC1CCC[Si](C)(C)CC1)n1cc(C2C(Cn3cc(CN(C)C4CCCCC4)nn3)C2(F)F)cn1,JCBYPBQEWUBGSB-XGMPDKQXSA-N
|
| 32335 |
+
rxn:3:50788:39618:91128,C[C@@H](C(=O)NC1CCOC1)n1cc(C2C(Cn3cc(CN(C)C4CCN(C)CC4)nn3)C2(F)F)cn1,CIRXOXPERYNRSW-ACJNRRCTSA-N
|
| 32336 |
+
rxn:3:50788:39618:96838,C[C@@H](C(=O)NC1COCOC1)n1cc(C2C(Cn3cc(CN(C)C4CCN(C)CC4)nn3)C2(F)F)cn1,WDRGVTINGYJJAP-XDGVHFHYSA-N
|
| 32337 |
+
rxn:3:50788:5478:135598,C[C@@H](NC(=O)[C@H](C)n1cc(C2C(Cn3cc(CN4CCC(N(C)C)C4)nn3)C2(F)F)cn1)C1CCOC1,ZACQAJCZFCQZNH-ZRUMTCHMSA-N
|
| 32338 |
+
rxn:3:50788:6636:84875,C[C@@H](C(=O)NC1CCC[Si](C)(C)CC1)n1cc(C2C(Cn3cc(Cn4ccn5nc(C6CCCCC6)cc45)nn3)C2(F)F)cn1,LVLWRHZJZNOWGH-HZLGFJAWSA-N
|
| 32339 |
+
rxn:3:50874:39618:122687,CN1CCC(N(C)Cc2cn(CC3C(c4ccc(CC(=O)N[C@@H]5CCC[C@]5(C)F)nc4)C3(F)F)nn2)CC1,JWAYBOMCSDLTKR-PWYHOHRJSA-N
|
| 32340 |
+
rxn:3:51059:17566:117595,CCc1cc(-c2cn(CC3C(c4cc(OC)cc(C(=O)NC5CCCC(F)(F)CC5)c4)C3(F)F)nn2)nn1C1CCC1,KLSMQEBKGNEBOG-UHFFFAOYSA-N
|
| 32341 |
+
rxn:3:51060:19902:71470,CCc1cc(-c2cn(CC3C(c4ccc(C(=O)Nc5ccsc5)c(OC)c4)C3(F)F)nn2)n(C(C)C2CCCC2)n1,UPSOOQDJOVPRAA-UHFFFAOYSA-N
|
| 32342 |
+
rxn:3:51060:9309:104682,CCn1cc(-c2cn(CC3C(c4ccc(C(=O)NC5(COC)COC5)c(OC)c4)C3(F)F)nn2)cn1,JRDPRRWSMMBWTK-UHFFFAOYSA-N
|
| 32343 |
+
rxn:3:51307:13895:110352,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4ccc5[nH]nc(C(=O)NCC)c5c4)C3(F)F)nn2)CC1,CDTAZKUUJJVNTD-LAIDURKOSA-N
|
| 32344 |
+
rxn:3:51307:13895:66248,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CCC(F)C6)c5c4)C3(F)F)nn2)CC1,STXOOUDBMHUKHC-ONARUVJKSA-N
|
| 32345 |
+
rxn:3:51307:13895:71467,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4ccc5[nH]nc(C(=O)Nc6ccc(C)s6)c5c4)C3(F)F)nn2)CC1,QTFGXHQWEBUJQK-IPWVUAKDSA-N
|
| 32346 |
+
rxn:3:51307:13895:82186,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4ccc5[nH]nc(C(=O)Nc6scc(C)c6C)c5c4)C3(F)F)nn2)CC1,VYTPLLRTNKGHDD-GVGMQPAFSA-N
|
| 32347 |
+
rxn:3:51497:17566:117595,CCc1cc(-c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6CCCC(F)(F)CC6)[nH]n5)cc4)C3(F)F)nn2)nn1C1CCC1,YEEVFHNQTPQDLB-UHFFFAOYSA-N
|
| 32348 |
+
rxn:3:51497:17639:74875,CCCn1nc(-c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6CCCCCC6(F)F)[nH]n5)cc4)C3(F)F)nn2)cc1C1CCCC1,YXVJYLXQIJLMGR-UHFFFAOYSA-N
|
| 32349 |
+
rxn:3:51497:17653:117595,CCCc1cc(-c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6CCCC(F)(F)CC6)[nH]n5)cc4)C3(F)F)nn2)nn1C1CCCC1,KOARJESPLVCQNO-UHFFFAOYSA-N
|
| 32350 |
+
rxn:3:52485:16798:117595,CCc1c(-c2cn(CCC3CC3c3cccnc3C(=O)NC3CCCC(F)(F)CC3)nn2)cnn1C1CCCC1,BXYWPUPLYPFIHY-UHFFFAOYSA-N
|
| 32351 |
+
rxn:3:52490:16894:67806,CCCc1c(-c2cn(CCC3CC3c3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1C1CCC1,DEONZNKSIGDFCH-LRZVDXDASA-N
|
| 32352 |
+
rxn:3:54200:23873:135845,CN1CCC[C@H]1c1cncc(-c2cn(CCC3C(c4ccnc(C(=O)NOCC5(C)COC5)c4)C3(F)F)nn2)c1,GNYWVOCKTPQSEN-QNVARPAVSA-N
|
| 32353 |
+
rxn:3:54202:2259:129478,CCN1CCC(c2cn(CCC3C(c4cnccc4C(=O)NOCC4(C)CCC4)C3(F)F)nn2)CC1,MHBATINTANMYOH-UHFFFAOYSA-N
|
| 32354 |
+
rxn:3:5463:65592:75723,COCC(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CC5(C4)CC(F)(F)C5)nn3)CC2=O)[nH]1)c1ccco1,LBFNBCKSJPTVSJ-UHFFFAOYSA-N
|
| 32355 |
+
rxn:3:5474:59852:65938,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)cn1,NXXLHMMVWGAVGR-WHRZTLTBSA-N
|
| 32356 |
+
rxn:3:54804:16798:134443,CCc1c(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)NC(C)C6CCC(F)(F)CC6)c5c4)C3(F)F)nn2)cnn1C1CCCC1,OHZBTVNUULCSMB-UHFFFAOYSA-N
|
| 32357 |
+
rxn:3:55244:16894:106399,CCCc1c(-c2cn(CC3CC3c3ccsc3C(=O)NOC3CCCCC(F)(F)C3)nn2)cnn1C1CCC1,QURKRRGEQZPOIF-UHFFFAOYSA-N
|
| 32358 |
+
rxn:3:55763:16898:117595,CCCc1c(-c2cn(CC3CC3c3cnc(C(=O)NC4CCCC(F)(F)CC4)nc3)nn2)cnn1C1CCCSC1,QXWAVZPZIMZGCI-UHFFFAOYSA-N
|
| 32359 |
+
rxn:3:55877:16797:81115,CCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC[C@H]4CCCC(F)(F)C4)c3)nn2)cnn1CC1CC1,WBHRIZRMIDDSAK-BVVFMGSASA-N
|
| 32360 |
+
rxn:3:55877:16799:117595,CCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCC(F)(F)CC4)c3)nn2)cnn1C1CC1,XTJFQWJQGQUXRT-UHFFFAOYSA-N
|
| 32361 |
+
rxn:3:55877:16802:107661,CCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1C1CCSC1,LQPFKKUIZFKVSX-NRKTVSCNSA-N
|
| 32362 |
+
rxn:3:55878:16894:67806,CCCc1c(-c2cn(CC3CC3c3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)nc3)nn2)cnn1C1CCC1,WEAASCMOBVIHME-SNCIUUNGSA-N
|
| 32363 |
+
rxn:3:55878:19174:85714,CC(n1cc(-c2cn(CC3CC3c3ccc(C(=O)NCC4CCC(F)(F)CO4)nc3)nn2)cn1)C1(C)CC1,UXQMMLGZVABIKK-UHFFFAOYSA-N
|
| 32364 |
+
rxn:3:55879:18028:79415,CCCn1nc2c(c1-c1cn(CC3CC3c3cccnc3C(=O)NCC3(C)CCCC(F)(F)C3)nn1)CCCC2,RMDCKCUNSXJGJM-UHFFFAOYSA-N
|
| 32365 |
+
rxn:3:55879:39390:72289,C=CCCCc1cn(CC2CC2c2cccnc2C(=O)N[C@H](C)C2CCC(F)(F)CC2)nn1,UWAURQVPIMPNAO-BWDFOLQRSA-N
|
| 32366 |
+
rxn:3:55881:17724:91401,CCCn1nc(-c2cn(CC3CC3c3cc(C(=O)NC[C@@H]4CCC4(F)F)ccn3)nn2)cc1C1CCCCC1,HPZUWYLTMOKHGP-KOENEWCDSA-N
|
| 32367 |
+
rxn:3:55884:16798:83874,CCc1c(-c2cn(CC3CC3c3ccc(C(=O)NCC4CCCC(F)(F)C4)cn3)nn2)cnn1C1CCCC1,UBQPVRJTLDQXMD-UHFFFAOYSA-N
|
| 32368 |
+
rxn:3:55884:16799:94016,CCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC[C@H]4CCC(F)(F)C4)cn3)nn2)cnn1C1CC1,WBWROROFOZTKPA-VQSBYGRUSA-N
|
| 32369 |
+
rxn:3:55884:2099:69509,CCOC1(CNC(=O)c2ccc(C3CC3Cn3cc(C(C)C4CCC4)nn3)nc2)CCC(F)(F)CC1,BBAYCIZEYOIVES-UHFFFAOYSA-N
|
| 32370 |
+
rxn:3:55885:16894:101175,CCCc1c(-c2cn(CC3CC3c3ncccc3C(=O)NCC3(C)CCC(F)(F)CC3)nn2)cnn1C1CCC1,SDACHESJMHTSSI-UHFFFAOYSA-N
|
| 32371 |
+
rxn:3:55887:16798:82501,CCc1c(-c2cn(CC3CC3c3ccnc(C(=O)N[C@@H](C)C4CCC(F)(F)CC4)c3)nn2)cnn1C1CCCC1,CSCFHEDOCSVQFL-HRRASNIPSA-N
|
| 32372 |
+
rxn:3:55887:17566:80206,CCc1cc(-c2cn(CC3CC3c3ccnc(C(=O)NCCC4CCCCC4(F)F)c3)nn2)nn1C1CCC1,UMFLJNWGNFQYEN-UHFFFAOYSA-N
|
| 32373 |
+
rxn:3:55888:16782:107661,Cc1c(-c2cn(CC3CC3c3cnccc3C(=O)NC[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,DVDNYAJVBYOOOO-VRKFHHGPSA-N
|
| 32374 |
+
rxn:3:55888:16797:81115,CCc1c(-c2cn(CC3CC3c3cnccc3C(=O)NC[C@H]3CCCC(F)(F)C3)nn2)cnn1CC1CC1,FXTRPYRLENBSBS-YMISUZCDSA-N
|
| 32375 |
+
rxn:3:55888:16894:79415,CCCc1c(-c2cn(CC3CC3c3cnccc3C(=O)NCC3(C)CCCC(F)(F)C3)nn2)cnn1C1CCC1,NCDIIKCTMIOEDZ-UHFFFAOYSA-N
|
| 32376 |
+
rxn:3:55888:17569:134908,CCc1cc(-c2cn(CC3CC3c3cnccc3C(=O)NCC3CC(C)(C)CC(F)(F)C3)nn2)nn1C1CCCCC1,CUAMOPBDXUMPGY-UHFFFAOYSA-N
|
| 32377 |
+
rxn:3:56245:16798:104899,CCc1c(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NC(C)C4CCC(F)(F)C4)c3)nn2)cnn1C1CCCC1,DXCOITONAZJESS-BCBVKHGPSA-N
|
| 32378 |
+
rxn:3:56245:16798:85244,CCc1c(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NC(C)C4CCCC(F)(F)C4)c3)nn2)cnn1C1CCCC1,VVGJAPBDCPVMOX-YJTYWWIOSA-N
|
| 32379 |
+
rxn:3:56245:17566:130134,CCc1cc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NCC4CCC4(F)F)c3)nn2)nn1C1CCC1,TWMJENBXLWHBMC-QOYRLARYSA-N
|
| 32380 |
+
rxn:3:56245:17621:130134,CCn1nc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NCC4CCC4(F)F)c3)nn2)cc1C1CCC1,OITVBLBHMNIOQI-UXGDZIPNSA-N
|
| 32381 |
+
rxn:3:56245:18011:115342,CCCn1nc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NCC4CCCCC(F)(F)C4)c3)nn2)c2c1CCCC2,RJPKTEPCVMMBLY-FVKNEOPFSA-N
|
| 32382 |
+
rxn:3:56245:1911:134932,C=CCN(C)Cc1cn(CC2CC2c2cnn([C@@H](C)C(=O)N[C@H]3CC[C@](C)(F)CC3)c2)nn1,OKFBWBIDNOSPAB-PXGDUCQISA-N
|
| 32383 |
+
rxn:3:56245:2259:75060,CCN1CCC(c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NCCC4CCC(F)(F)C4)c3)nn2)CC1,PNVRPHHSOHXBLT-YIODILLTSA-N
|
| 32384 |
+
rxn:3:56245:24206:71285,CC(c1cn(CC2CC2c2cnn([C@@H](C)C(=O)NCC(C)(C)C3CCCC3)c2)nn1)N1CCC(F)(F)CC1,PVVUBLAXZDFYQJ-ZIBRVTKESA-N
|
| 32385 |
+
rxn:3:56245:6119:140611,CCCn1ncc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NC4CCCC(F)(F)C4)c3)nn2)c1C1CCCCC1,YCZZDTGPXLOQBN-IGQRNARISA-N
|
| 32386 |
+
rxn:3:56245:6136:120997,CCn1ncc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)NCC4CCCC4(F)F)c3)nn2)c1C1CCC1,VHADAEJVYNCASH-CLDARHQISA-N
|
| 32387 |
+
rxn:3:56245:6136:80663,CCn1ncc(-c2cn(CC3CC3c3cnn([C@@H](C)C(=O)N[C@H]4CCCCC4(F)F)c3)nn2)c1C1CCC1,FWRYEDHFFJQIHX-MGWRBXIFSA-N
|
| 32388 |
+
rxn:3:56245:8803:137956,C=CCCc1cn(CC2CC2c2cnn([C@@H](C)C(=O)NC3(C)CCCCC3(F)F)c2)nn1,OZEFOZIJHIVAIS-YEBZTJANSA-N
|
| 32389 |
+
rxn:3:56509:5477:104682,COCC1(NC(=O)c2cc(OC)cc(C3CC3Cn3cc(-c4cnn(C5CC5(F)F)c4)nn3)c2)COC1,JWRWCZGDDZMJBI-UHFFFAOYSA-N
|
| 32390 |
+
rxn:3:56514:9308:72453,CCCn1cc(-c2cn(CC3CC3c3cccc(OC)c3C(=O)NCC3(C)COCC3(F)F)nn2)cn1,LFGVEHNZEALQEU-UHFFFAOYSA-N
|
| 32391 |
+
rxn:3:56520:8680:83860,CSc1ncc(C2CC2Cn2cc(C3CC4(CCC(F)(F)CC4)C3)nn2)c(C(=O)Nc2cccc(OS(=O)(=O)F)c2)n1,RLWPBZUSQLGEQZ-UHFFFAOYSA-N
|
| 32392 |
+
rxn:3:56724:16894:117595,CCCc1c(-c2cn(CC3CC3c3cccc(C4(C(=O)NC5CCCC(F)(F)CC5)CC4)c3)nn2)cnn1C1CCC1,QHAHWZQVVQGOFK-UHFFFAOYSA-N
|
| 32393 |
+
rxn:3:57884:17566:107661,CCc1cc(-c2cn(CCCc3cccnc3C(=O)NC[C@@H]3CCCC(F)(F)C3)nn2)nn1C1CCC1,LGXBEZLMEMHUOS-LJQANCHMSA-N
|
| 32394 |
+
rxn:3:57887:1086:141642,CC1(C)CCC(CCNC(=O)c2ccc(CCCn3cc(CN4CCC(F)(F)CC4)nn3)nc2)C1,HEEUMVBVRWPYOR-UHFFFAOYSA-N
|
| 32395 |
+
rxn:3:57887:16798:94016,CCc1c(-c2cn(CCCc3ccc(C(=O)NC[C@H]4CCC(F)(F)C4)cn3)nn2)cnn1C1CCCC1,QGWSFTFJVXRTBQ-IBGZPJMESA-N
|
| 32396 |
+
rxn:3:59852:23158:124292,CCN1CCC(c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC(C)(C)CC(F)(F)C5CCCCC5)C4)C3)nn2)C1,LNDAXGSTJVXVLL-DELDLWFTSA-N
|
| 32397 |
+
rxn:3:60038:8620:83482,CN(C)C1(c2cn(C3CCCC(C(=O)NCCSCc4cccs4)C3)nn2)CCC(F)(F)CC1,NQLKKHOXBRWZKN-UHFFFAOYSA-N
|
| 32398 |
+
rxn:3:60054:29454:116435,CCCSc1ccc(OC)c(NC(=O)C23CC(Cn4cc(C[N+]56CN7CN(CN(C7)C5)C6)nn4)(C2)C3)c1,IRZBAYFJUVHEMT-UHFFFAOYSA-O
|
| 32399 |
+
rxn:3:60054:29454:75644,COC(C1CC1)C(F)(F)CNC(=O)C12CC(Cn3cc(C[N+]45CN6CN(CN(C6)C4)C5)nn3)(C1)C2,ZTMRYNGSZNKJDL-UHFFFAOYSA-O
|
| 32400 |
+
rxn:3:60580:28143:127478,C=CC[C@@H](C(=O)NC(c1ccccc1C1CC1)C1(C)CC1)n1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,OFUCATZSLBNXOM-IEJLGSPQSA-N
|
| 32401 |
+
rxn:3:60582:1911:119713,C=CC[C@H](C(=O)NC1CCC2(CC1)OCC2(F)F)n1cc(CN(C)CC=C)nn1,KBKIOKQXFUVTJD-URSIVYNOSA-N
|
| 32402 |
+
rxn:3:60582:39404:77250,C=CC[C@H](C(=O)NCC1CCC2(CCC(F)(F)CC2)O1)n1cc(CN(C)c2cnc(C#N)cn2)nn1,WLWDYYMLVOSOPN-GFOWMXPYSA-N
|
| 32403 |
+
rxn:3:62466:18024:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCC(n2cc(-c3c4c(nn3C3CCCSC3)CCC4)nn2)C2CCC12,MUHRJSMDQGRKEN-UHFFFAOYSA-N
|
| 32404 |
+
rxn:3:62466:23195:123705,CCC(NC(=O)C1CCC(n2cc(CC3(CN(C)C)CCC3)nn2)C2CCC12)c1ccsc1,RSYSRQBGMKNVLK-UHFFFAOYSA-N
|
| 32405 |
+
rxn:3:62466:39480:151955,CC(C)C1CCC(c2cn(C3CCC(C(=O)Nc4ccc5ccc(OS(=O)(=O)F)cc5c4)C4CCC43)nn2)CC1,UNANITPOAQOVAG-UHFFFAOYSA-N
|
| 32406 |
+
rxn:3:62466:39480:83860,CC(C)C1CCC(c2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)CC1,KUHWYTPRARXGJG-UHFFFAOYSA-N
|
| 32407 |
+
rxn:3:62466:6257:104347,C[C@H](NC(=O)C1CCC(n2cc(-c3cc(N(C)C4CCN(C)CC4)ncn3)nn2)C2CCC12)C(C)(F)F,IIDZFVUEBDNGST-KTIUQTLCSA-N
|
| 32408 |
+
rxn:3:62466:6257:116924,C[C@H](NC(=O)C1CCC(n2cc(-c3cc(N(C)C4CCN(C)CC4)ncn3)nn2)C2CCC12)C1CC(F)(F)C1,FQKATNVFHGEGAD-NZRYZMMRSA-N
|
| 32409 |
+
rxn:3:62466:6257:73295,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)NC5C(C)(C)C5(F)F)C5CCC54)nn3)ncn2)CC1,YUNYZQUPPMANOP-UHFFFAOYSA-N
|
| 32410 |
+
rxn:3:62466:8620:110822,CN(C)C1(c2cn(C3CCC(C(=O)N[C@@H](c4ccoc4)C(C)(C)C)C4CCC43)nn2)CCC(F)(F)CC1,BQBYZDVDYDDPKA-UDECNIMRSA-N
|
| 32411 |
+
rxn:3:62669:5274:73117,CC(CN1CC(Cn2cc(CSC3=Nc4ccccc4SC3C)nn2)CC1=O)C(=O)NCC1(C)CC(F)(F)C1,INGSMLFURRMTKO-UHFFFAOYSA-N
|
| 32412 |
+
rxn:3:62746:17566:115749,CCc1cc(-c2cn(CC3CC(=O)N([C@@H](C)C(=O)N[C@H](CC)C4CC(F)(F)CCO4)C3)nn2)nn1C1CCC1,IZFFORPFPBSNTK-WTCGKIGOSA-N
|
| 32413 |
+
rxn:3:62782:6450:110168,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NCC4(F)CC(F)(F)C4)C4CCCC4)C3)nn2)cn1,LNEOTUBXJWCLSW-UHFFFAOYSA-N
|
| 32414 |
+
rxn:3:62782:6450:80155,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NC4CCC5C(CC4)C5(F)F)C4CCCC4)C3)nn2)cn1,AAFMEGYBTNLXFC-UHFFFAOYSA-N
|
| 32415 |
+
rxn:3:62784:6450:110168,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C(C(=O)NCC4(F)CC(F)(F)C4)C4CCCCC4)C3)nn2)cn1,VBBGIQUWSWERTN-UHFFFAOYSA-N
|
| 32416 |
+
rxn:3:62824:4420:81112,N#Cc1ncn(Cc2cn(CC3CC(=O)N([C@@H](C(=O)NC[C@H]4CC(F)(F)CO4)C4=CCC=CC4)C3)nn2)n1,PBSPXLIEZGPUQU-RYLMWKJUSA-N
|
| 32417 |
+
rxn:3:62824:5287:73117,CC(C)c1nnnn1Cc1cn(CC2CC(=O)N([C@@H](C(=O)NCC3(C)CC(F)(F)C3)C3=CCC=CC3)C2)nn1,RKADSTNAZFBJRM-LMNIDFBRSA-N
|
| 32418 |
+
rxn:3:62824:5287:81112,CC(C)c1nnnn1Cc1cn(CC2CC(=O)N([C@@H](C(=O)NC[C@H]3CC(F)(F)CO3)C3=CCC=CC3)C2)nn1,BCXRZFSKQJJUEM-SXHSKPAUSA-N
|
| 32419 |
+
rxn:3:62829:17887:120779,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N([C@H](C(=O)NC4CC5C(C4)C5(F)F)C4CCCCC4)C3)nn2)c1,WVTWRJCRKFAABH-FHNSMLJWSA-N
|
| 32420 |
+
rxn:3:62829:2485:137300,CN(CC1CC1)C(C)(C)c1cn(CC2CC(=O)N([C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H](C3)CC(F)(F)C4)C3CCCCC3)C2)nn1,ONRMFIJQDPYMMH-HGDILPGGSA-N
|
| 32421 |
+
rxn:3:62829:6450:100500,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N([C@H](C(=O)NC4CC5CC(F)(F)C5C4)C4CCCCC4)C3)nn2)cn1,OOEAQPNXQBSJCH-LJJBYHDZSA-N
|
| 32422 |
+
rxn:3:62829:6450:120779,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N([C@H](C(=O)NC4CC5C(C4)C5(F)F)C4CCCCC4)C3)nn2)cn1,ZDKSCTABYADHAD-IINOVJCJSA-N
|
| 32423 |
+
rxn:3:63289:6450:77877,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(c4ccc(OC)c(C(=O)NCC5CC6(CCC(F)(F)C6)CO5)c4)C3)nn2)cn1,FGHHWXXFTYZASX-UHFFFAOYSA-N
|
| 32424 |
+
rxn:3:63588:39281:109752,COC(CNC(=O)c1ccc(C)c(N2CC(Cn3cc(-c4nccn4C)nn3)CC2=O)c1)C1CC(F)(F)C1,OPYRJYFRTSUXCZ-UHFFFAOYSA-N
|
| 32425 |
+
rxn:3:6382:59852:72152,CCC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccc(N(C)C)n5)nn4)C3)CCO2)CCS(=O)(=O)C1,HMDKFLLRTJZCBH-FEJZKQTDSA-N
|
| 32426 |
+
rxn:3:6382:59852:90179,CCC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccc(N(C)C)n5)nn4)C3)CCO2)CCCS1(=O)=O,CKGUABUYHSZXAF-FEJZKQTDSA-N
|
| 32427 |
+
rxn:3:6383:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cc(N(C)C)ncn5)nn4)C3)CCO2)CS(=O)(=O)C1,TUEWKZFGLSNACY-FYQIFJIOSA-N
|
| 32428 |
+
rxn:3:6383:59852:85563,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(C)CCS(=O)(=O)CC5)C4)C3)nn2)ncn1,QITYDAAEQQQSAB-VJOPYQGCSA-N
|
| 32429 |
+
rxn:3:63966:3205:76765,O=C1CC(Cn2cc(CC3CC(F)(F)C3)nn2)CN1C1(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CCOCC2)CCCCC1,NKGWLTJORWPHNF-JSTCWRMYSA-N
|
| 32430 |
+
rxn:3:6450:59852:141342,C=C(C)Cn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc(OCOC)cc5)C4)C3)nn2)cn1,BNFNKAXMRBLAJD-OGKCQMLTSA-N
|
| 32431 |
+
rxn:3:6450:59852:66355,C=C(C)Cn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)cn1,QNYHLFSUMKPLLC-KRNSLYCCSA-N
|
| 32432 |
+
rxn:3:64740:2259:74619,CCN1CCC(c2cn(CC3CC(=O)N(c4ccc(C(=O)NC(C)(COC)c5cccs5)nn4)C3)nn2)CC1,WUDZNEREMCBIBT-UHFFFAOYSA-N
|
| 32433 |
+
rxn:3:64902:6450:74908,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(c4ccncc4C(=O)NC4(CC)COC4)C3)nn2)cn1,OKVAVWMZLKGRBY-UHFFFAOYSA-N
|
| 32434 |
+
rxn:3:64961:23158:93155,CCN1CCC(c2cn(CC3CC(=O)N(c4ncc(C(=O)NCC(C)(C)C5CCCC(F)(F)C5)cn4)C3)nn2)C1,ZVVHQCIUWQHTNZ-UHFFFAOYSA-N
|
| 32435 |
+
rxn:3:6496:59852:73257,CCC(C)n1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NSc5ccc(OC)cc5OC)C4)C3)nn2)cn1,WELXGXRNOBPKKW-QXIMFVGCSA-N
|
| 32436 |
+
rxn:3:65149:32622:110117,CCC1CCC(NC(=O)c2cncc(N3CC(Cn4cc([C@H]5CCC(F)(F)C5)nn4)CC3=O)c2)C(Oc2ccccc2OC)C1,SXDGWPQCHOBIDU-BLBHERSESA-N
|
| 32437 |
+
rxn:3:65401:3045:67085,O=C(NC1CC2(CCCCC2)Oc2ccccc21)c1cncc(N2CC(Cn3cc(CCC4CC(F)(F)C4)nn3)CC2=O)n1,RWARHHFICQSPOB-UHFFFAOYSA-N
|
| 32438 |
+
rxn:3:65445:32622:98662,CC1(C)CCCC(c2ccc(NC(=O)c3csc(N4CC(Cn5cc([C@H]6CCC(F)(F)C6)nn5)CC4=O)n3)cc2)C1,FGGIPTAWYNVNDP-VTLFHKLASA-N
|
| 32439 |
+
rxn:3:65445:8716:73143,CCCCc1ccc(C2(NC(=O)c3csc(N4CC(Cn5cc(C6CC6(F)F)nn5)CC4=O)n3)CCCCC2)cc1,GBCZQIVZSANLCX-UHFFFAOYSA-N
|
| 32440 |
+
rxn:3:65592:24123:70310,CC(C)(C)C1CCC(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CCCN(CC(F)(F)F)C5)nn4)CC3=O)[nH]2)(c2ccccc2)CC1,UDDBCFBLDKNFRY-UHFFFAOYSA-N
|
| 32441 |
+
rxn:3:6614:59852:123090,N#Cc1cnn2ccn(Cc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6(F)CC6)C5)C4)nn3)c12,QZOVLRAWTMPQPB-WUQHVDQBSA-N
|
| 32442 |
+
rxn:3:6614:59852:125791,N#Cc1cnn2ccn(Cc3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6(F)CCC6)C5)C4)nn3)c12,YDUDNWNJTCXWJA-QOCBGMSTSA-N
|
| 32443 |
+
rxn:3:6998:59852:113259,CCc1ncnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC(OC)c5cccs5)C4)C3)nn2)c1F,BKPVZTRXJZHZIL-NFAVZRQZSA-N
|
| 32444 |
+
rxn:3:808:63966:80699,O=C1CC(Cn2cc(CCCF)nn2)CN1C1(C(=O)N[C@@H](c2ccsc2)C2CC2)CCCCC1,BAEOZAMQEIZROJ-WBPHRXDCSA-N
|
| 32445 |
+
rxn:3:8620:49937:134203,CN(C)C1(c2cn(CC3C(c4cn[nH]c4C(=O)NC4CC[Si](C)(C)C4)C3(F)F)nn2)CCC(F)(F)CC1,XPZAOTWIEXGGHN-UHFFFAOYSA-N
|