Added 795 molecules from epoch 18048 for Q13547
Browse files- Q13547_molecules.csv +795 -0
Q13547_molecules.csv
CHANGED
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@@ -86509,3 +86509,798 @@ rxn:5:194791:227197:225477,Cc1cccc(-c2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)
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| 86509 |
rxn:5:196533:225832:227758,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2C(=O)CC(c3cc(F)ccc3C(F)(F)F)C2=O)cc1,KOXIEOZYZHXMAG-UHFFFAOYSA-N
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| 86510 |
rxn:5:196789:225834:223065,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,KEEKOXJLDNPREC-UHFFFAOYSA-N
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| 86511 |
rxn:5:198558:225465:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cccc(C5CCN(C)CC5)c4)ccc32)s1)N1CCOCC1,KGQGYJRWMXENGK-UHFFFAOYSA-N
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| 86509 |
rxn:5:196533:225832:227758,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2C(=O)CC(c3cc(F)ccc3C(F)(F)F)C2=O)cc1,KOXIEOZYZHXMAG-UHFFFAOYSA-N
|
| 86510 |
rxn:5:196789:225834:223065,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,KEEKOXJLDNPREC-UHFFFAOYSA-N
|
| 86511 |
rxn:5:198558:225465:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cccc(C5CCN(C)CC5)c4)ccc32)s1)N1CCOCC1,KGQGYJRWMXENGK-UHFFFAOYSA-N
|
| 86512 |
+
rxn:4:173502:228197,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2cnc(C(C)(C)C)nc2)c1,YDDMUYAUBUTFEH-UHFFFAOYSA-N
|
| 86513 |
+
rxn:4:173596:224961,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1,IIWMCZKSZULVHY-UHFFFAOYSA-N
|
| 86514 |
+
rxn:4:173704:224061,CCCC1CCC(c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c4c(OC)cccc34)c(F)c2)CC1,HCFWSQPTFBJHAW-UHFFFAOYSA-N
|
| 86515 |
+
rxn:4:174441:224846,CCC1CCC(c2ccc(-c3ccc(C)cc3OC3(C(=O)OC(C)(C)C)CC3)cc2)CC1,DMHIZTUIHQNLDO-UHFFFAOYSA-N
|
| 86516 |
+
rxn:4:174468:224677,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1ccc(Cl)c(C(=O)N2CCCCC2)c1,WQJWTXPTNHXZJA-UHFFFAOYSA-N
|
| 86517 |
+
rxn:4:174500:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4cc(OC)ccc4F)c3)c(F)c2)CC1,GNUCQDNJVOPMOL-RQNOJGIXSA-N
|
| 86518 |
+
rxn:4:174514:224421,CC(C)c1cc(C(C)C)c(-c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2)c(C(C)C)c1,BFLXVLPPIQHQQV-UHFFFAOYSA-N
|
| 86519 |
+
rxn:4:174514:224624,CC(C)[Si](Oc1cccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)c1)(C(C)C)C(C)C,GLTUYRVJKKAPCC-UHFFFAOYSA-N
|
| 86520 |
+
rxn:4:174516:224609,CC(C)N(C(=O)c1ccncc1-c1ccccc1O[Si](C(C)C)(C(C)C)C(C)C)C(C)C,UPSFYDWOFWZLQM-UHFFFAOYSA-N
|
| 86521 |
+
rxn:4:175661:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(=O)OC(C)(C)C)c2F)cc1F,PATJHIICIBORBZ-UHFFFAOYSA-N
|
| 86522 |
+
rxn:4:175702:223569,COC(=O)C(C)(C)c1ccc(OC)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F,XIXNJILAFNKOOV-UHFFFAOYSA-N
|
| 86523 |
+
rxn:4:175785:223822,COC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)ccc1S(=O)(=O)c1ccc(Cl)cc1,JVXOBZPKSAAFIV-UHFFFAOYSA-N
|
| 86524 |
+
rxn:4:175947:223559,COc1ccc(C(=O)Cc2ccc(C)cc2)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,WLTYZUVDQIICHS-UHFFFAOYSA-N
|
| 86525 |
+
rxn:4:176085:223923,CN(C(=O)c1cc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)ccc1F)C1CCCCC1,KADIPUXEUWIHEU-UHFFFAOYSA-N
|
| 86526 |
+
rxn:4:176237:224406,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc1)C2=O,IVKDCSQOAXJBTB-UHFFFAOYSA-N
|
| 86527 |
+
rxn:4:176322:229120,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccn(C)c2=O)C(C)(C)CC1(CC)CC,QCZFHEUKYXJZKK-UHFFFAOYSA-N
|
| 86528 |
+
rxn:4:176409:223698,O=C(C(=O)C(F)(F)F)c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1,IQIYGAKUTIBXBJ-UHFFFAOYSA-N
|
| 86529 |
+
rxn:4:177338:222447,COC(=O)c1cc(-c2c(OC)ccc3c2N=C(NC(=O)OC(C)(C)C)C3)cc(C2CC2)c1,FWVBXWLZGZPHDG-UHFFFAOYSA-N
|
| 86530 |
+
rxn:4:178154:225181,Fc1c(CN2CCOCC2)cccc1-c1c(F)c(F)c(COC2CCCCO2)c(F)c1F,OCNKXSZFQREVEQ-UHFFFAOYSA-N
|
| 86531 |
+
rxn:4:178306:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c2)C1,LIVRXWRANONVEL-UHFFFAOYSA-N
|
| 86532 |
+
rxn:4:178384:227248,CCCOc1cc(Cl)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QWQZPHOLCPSMGD-UHFFFAOYSA-N
|
| 86533 |
+
rxn:4:178490:222725,CCNS(=O)(=O)c1ccc(-c2ccc(OCC(F)(F)F)c3c2CCCC3)c(C(F)(F)F)c1,LFPZYAUIOKZVBF-UHFFFAOYSA-N
|
| 86534 |
+
rxn:4:178594:225884,Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1-c1ccc(C2COCCO2)c(F)c1,FUOGYWIOZWFALH-UHFFFAOYSA-N
|
| 86535 |
+
rxn:4:179125:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(F)(F)F)c(SC)c3F)ccc2OC)CC1,GXZYTQAEDVSINE-UHFFFAOYSA-N
|
| 86536 |
+
rxn:4:180024:223815,COc1c(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)ccc(F)c1C1OCCO1,ZVNRKIVVFSXCDK-UHFFFAOYSA-N
|
| 86537 |
+
rxn:4:180033:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CCC3)cc2F)c(C(F)(F)F)c1,CBRZVNYTKCAVJZ-UHFFFAOYSA-N
|
| 86538 |
+
rxn:4:180262:223522,CSc1ccc(C(C)(C)C)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,GQPOPQWMAGVMGB-UHFFFAOYSA-N
|
| 86539 |
+
rxn:4:180792:225113,CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc1C2=O,OGWCPWKBQOOJKA-UHFFFAOYSA-N
|
| 86540 |
+
rxn:4:180815:222931,COc1ccc(-c2cnc(Cl)c(N3CCCCC3O)c2)cc1C12CC3CC(CC(C3)C1)C2,OYOFOIIYTVUZKL-UHFFFAOYSA-N
|
| 86541 |
+
rxn:4:181309:223492,Cc1cc(C(F)F)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,KEZXSIMXRBUMKE-UHFFFAOYSA-N
|
| 86542 |
+
rxn:4:182216:223576,COc1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1CCC2=O,LCPMVHOFYWBMCU-UHFFFAOYSA-N
|
| 86543 |
+
rxn:4:182372:224252,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cc1C2=O,SEHFMYOAIOZSGD-YEJUVFKVSA-N
|
| 86544 |
+
rxn:4:182374:223641,CCc1cc2c(cc1F)cc(-c1cc3c(cc1C(C)=O)C(C)(C)CCC3(C)C)n2C(=O)OC(C)(C)C,CAQRPNRQGUPGJD-UHFFFAOYSA-N
|
| 86545 |
+
rxn:4:182376:225117,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(OCCC(C)C)c(F)cc4F)cc3C2=O)C[C@@H]1C,CUIOEPHSRNFZNX-OSELZAKSSA-N
|
| 86546 |
+
rxn:4:183273:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCO4)cc2)ccc1F,YHFBPFDGKQKDKA-UHFFFAOYSA-N
|
| 86547 |
+
rxn:4:183273:226180,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)cc(C2CCCC2)n1,XDHNBTVJGHOFMI-UHFFFAOYSA-N
|
| 86548 |
+
rxn:4:183379:224552,CC1(C)C=Cc2c3c(cc(-c4cc(F)cc(COC5CCCCC5)c4)c2O1)C(=O)OC(C)(C)O3,KMECEQGXXKUORA-UHFFFAOYSA-N
|
| 86549 |
+
rxn:4:183892:225591,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cc(CN3CCCC3)ccc2F)c1,NPRIJFPNSHJGDL-UHFFFAOYSA-N
|
| 86550 |
+
rxn:4:184062:224076,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1,SXHBUEVMEPJYAO-UHFFFAOYSA-N
|
| 86551 |
+
rxn:4:184095:228417,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(F)c(C(F)F)c2)cc1,WEEPJZKOFZJBHL-LJQANCHMSA-N
|
| 86552 |
+
rxn:4:184100:227463,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cc(F)c(F)c3ccoc23)c1,CPJGBXMHHFPMDR-UHFFFAOYSA-N
|
| 86553 |
+
rxn:4:184693:225498,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2cc(C3CCCCC3)ccc2F)c1,NLJWNKYWYLVUTD-UHFFFAOYSA-N
|
| 86554 |
+
rxn:4:184761:223889,CC(C)(C)OC(=O)C(C#N)c1cccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,JHHKFCOSRIGWNL-UHFFFAOYSA-N
|
| 86555 |
+
rxn:4:184910:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OCC2CN(C(=O)C3CC3)C2)cc1,MFQDEDVWECBIJV-UHFFFAOYSA-N
|
| 86556 |
+
rxn:4:184989:224405,CC(C)COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)ccc1C(=O)N1CCC1(F)F,PVEYMDNTZRRKIV-UHFFFAOYSA-N
|
| 86557 |
+
rxn:4:185029:224420,Cc1cc2c(cc1-c1cccc(OC3CN(C(=O)OC(C)(C)C)C3)c1)C(C)(C)CCC2(C)C,GUGJEKHTRSREFF-UHFFFAOYSA-N
|
| 86558 |
+
rxn:4:185088:222636,COc1cc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N(C(C)C)C(C)C,MCSANTPVJDRTAJ-LJQANCHMSA-N
|
| 86559 |
+
rxn:4:185114:228448,O=C(CS(=O)(=O)c1ccc(-c2ccc(C(F)F)cc2Cl)cc1)N1CCC(C(F)(F)F)CC1,GQDPXKPPVPARSW-UHFFFAOYSA-N
|
| 86560 |
+
rxn:4:185134:224718,COC(=O)C1CCN(CCc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)CC1,HFXHGFLSXFDHJP-UHFFFAOYSA-N
|
| 86561 |
+
rxn:4:185224:222609,COc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,FFVTZXLBOBLRPW-UHFFFAOYSA-N
|
| 86562 |
+
rxn:4:185231:224355,O=C(OCc1ccccc1)c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1N1CCC(F)(F)C1,WAIPMRBMUTZWAC-UHFFFAOYSA-N
|
| 86563 |
+
rxn:4:185248:225661,COc1cc(-c2ccc(N3CCOCC3)cc2C)cc(OC)c1CN1CCCC(C(F)(F)F)C1,VVMNSWTVMDOWMT-UHFFFAOYSA-N
|
| 86564 |
+
rxn:4:185355:224078,CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)c2)CC1,YBNLSDVPBBCNHI-UHFFFAOYSA-N
|
| 86565 |
+
rxn:4:185398:226058,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2c(C(C)C)cccc2C(C)C)c1,DGPIIGFGAUVATJ-UHFFFAOYSA-N
|
| 86566 |
+
rxn:4:185542:226506,CN(CC1OCCc2ccc(-c3cc(OCC4CC4)ncc3F)cc21)C(=O)OC(C)(C)C,SCRCMRBBIDEOKE-UHFFFAOYSA-N
|
| 86567 |
+
rxn:4:185648:227949,Cc1cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)cc(C)c1C#N,RRJAETSZGSRMQV-UHFFFAOYSA-N
|
| 86568 |
+
rxn:4:185848:223649,CCOC(=O)c1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(F)c1C#N,OIZSGSHHXLOKTM-UHFFFAOYSA-N
|
| 86569 |
+
rxn:4:186659:224329,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C(=O)N2CCC(=O)CC2)c(F)c1,RKCFDNJPNJYTIN-UHFFFAOYSA-N
|
| 86570 |
+
rxn:4:186768:223866,CCN(C(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(Cl)c1)C(C)C,PRUPSFIWGUBVNV-UHFFFAOYSA-N
|
| 86571 |
+
rxn:4:186996:223866,Cc1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)ccc1OCC(=O)N1CCC(F)(F)C1,MPKFSEOSFCWEKP-UHFFFAOYSA-N
|
| 86572 |
+
rxn:4:187005:224750,O=C(COc1cccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)c1)N1CCC(F)(F)CC1,RTZBAPAKFOFHOT-UHFFFAOYSA-N
|
| 86573 |
+
rxn:4:187128:224842,CC1(C)CCC(C)(C)c2cc(-c3cccc(S(=O)(=O)CC(=O)N4CCCCC4)c3)ccc21,MQIJLVXLPCJJFV-UHFFFAOYSA-N
|
| 86574 |
+
rxn:4:187151:222853,O=C(Cc1ccc(F)cc1-c1ccc(CN2CCC(O)CC2)cc1)N1CCCC(C(F)(F)F)C1,PHVFJACAHTWVPF-UHFFFAOYSA-N
|
| 86575 |
+
rxn:4:187250:225330,COC(=O)c1ccc(-c2cc(C(=O)OC)nc(C(=O)OC)c2)c(CN2CCCC(F)(F)C2)c1,GOUBAJYNCKAOGI-UHFFFAOYSA-N
|
| 86576 |
+
rxn:4:187276:228251,COc1cc(Cl)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1C,VKHQYOASRVJOAR-UHFFFAOYSA-N
|
| 86577 |
+
rxn:4:187276:228307,CON(C)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccn1,CPOKYGBDXDLKNX-UHFFFAOYSA-N
|
| 86578 |
+
rxn:4:187323:224720,CC1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2OC(F)(F)F)CC1,NSQZZCQVAZKYFZ-UHFFFAOYSA-N
|
| 86579 |
+
rxn:4:187427:222852,COC(=O)c1cc(-c2cccc(CN3CCC(O)CC3)c2)ccc1CN1CCCC(C)C1,IMLFVKDHYHXBEB-UHFFFAOYSA-N
|
| 86580 |
+
rxn:4:187648:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2=O)cc1,HJPOOIOMINFVJI-UHFFFAOYSA-N
|
| 86581 |
+
rxn:4:187648:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2=O)cc1,XUVWANFANUCHFN-UHFFFAOYSA-N
|
| 86582 |
+
rxn:4:187656:223725,CCCCCc1ccc(-c2ccc(-c3cc(C)c(S(=O)(=O)N(CC)C4CCCCC4)cc3C)c(F)c2)cc1,UNWUCLPCVZATJK-UHFFFAOYSA-N
|
| 86583 |
+
rxn:4:187692:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)CC1,BRSGQJJOHGBRFG-UHFFFAOYSA-N
|
| 86584 |
+
rxn:4:187970:224188,CC(C)N(C(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)c(Cl)c1)C(C)C,YVDAKDYVOUHKJV-UHFFFAOYSA-N
|
| 86585 |
+
rxn:4:187990:226032,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2cc(OC)cc(C(F)(F)F)c2F)cc1,USHNLBOVIAJYBL-UHFFFAOYSA-N
|
| 86586 |
+
rxn:4:189073:223527,Cc1cnc(OCC2CC2)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,SUTBDNBJLCXLNG-UHFFFAOYSA-N
|
| 86587 |
+
rxn:4:189675:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cl)cc3/C=N/S(=O)C(C)(C)C)c(F)ccc21,MXMMKSDKFAJCFQ-KBVAKVRCSA-N
|
| 86588 |
+
rxn:4:189866:224648,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)c(Cl)c1,HFKOMNBMBVLKED-UHFFFAOYSA-N
|
| 86589 |
+
rxn:4:189888:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,DYZMERUIIYHGMC-UHFFFAOYSA-N
|
| 86590 |
+
rxn:4:190089:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cn2)c(C(F)(F)F)c1,JJMIXFXNNFPXEN-UHFFFAOYSA-N
|
| 86591 |
+
rxn:4:190112:223866,COc1ccc(C2(C#N)CCCCC2)cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,ZPUSYXUCAVVRBF-UHFFFAOYSA-N
|
| 86592 |
+
rxn:4:190120:222604,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)cc1S(=O)(=O)NC1CCCC1,YXEQWJVYZZQTEM-UHFFFAOYSA-N
|
| 86593 |
+
rxn:4:190174:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)c(F)cc3F)c2)C1,NJUBIKJTHVLGSD-UHFFFAOYSA-N
|
| 86594 |
+
rxn:4:190180:227568,COc1cc(F)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)c(OC)c1,WYFPFTOIFUNJQK-UHFFFAOYSA-N
|
| 86595 |
+
rxn:4:190342:225177,CC(c1ccccc1-c1ccc(CN2CCSCC2)c(F)c1)N1CCCC(C(F)(F)F)C1,ZFPODYOXUWLATN-UHFFFAOYSA-N
|
| 86596 |
+
rxn:4:190346:224731,Cc1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cccc(S(=O)(=O)OCC(C)(C)C)c2)c1,OUTBGOQAVDYJFK-UHFFFAOYSA-N
|
| 86597 |
+
rxn:4:190351:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(CC(=O)N2CCC3(CC2)CC3(F)F)cc1,XWLIBYZGXORBSJ-UHFFFAOYSA-N
|
| 86598 |
+
rxn:4:190406:223923,CN(C(=O)c1cc(-c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)ccc1F)C1CCCCC1,PRJWGBSHEHLCOJ-UHFFFAOYSA-N
|
| 86599 |
+
rxn:4:190434:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccccc2-c2cccc(C(=O)N3CCCCC3)c2)CC1,POFWXDYADNTOIX-UHFFFAOYSA-N
|
| 86600 |
+
rxn:4:190439:222776,OC1CCN(Cc2ccc(-c3ccc(C4CCCN4CC4CCCC4)cc3)c(F)c2)CC1,WRDVSHFHZLKBNA-UHFFFAOYSA-N
|
| 86601 |
+
rxn:4:190452:227207,COc1ccc(-c2cccc3c2OCCC3=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BHBYRQUUGGXQBO-UHFFFAOYSA-N
|
| 86602 |
+
rxn:4:190968:224930,CCN(CC)Cc1cc(-c2cc3c(cc2F)CN(C(=O)OC(C)(C)C)CC3)ccc1OC,JRWCKUNSKKMYIH-UHFFFAOYSA-N
|
| 86603 |
+
rxn:4:191035:224842,Cc1ccc2c(c1-c1ccc3c(c1)C(C)(C)CCC3(C)C)CCN(C(=O)OC(C)(C)C)C2,SSFLCWBECIAYLJ-UHFFFAOYSA-N
|
| 86604 |
+
rxn:4:191055:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)cc1,JQRYPGNIFZNVRK-UHFFFAOYSA-N
|
| 86605 |
+
rxn:4:191087:225759,CCN(C)C(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1F,JPBZPROZRKLILR-UHFFFAOYSA-N
|
| 86606 |
+
rxn:4:191088:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c1,ACDUUALYHDLXBO-IBGZPJMESA-N
|
| 86607 |
+
rxn:4:191089:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc(Cl)n1,BLRHEYSTDZHLCD-UHFFFAOYSA-N
|
| 86608 |
+
rxn:4:191097:225760,CCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(F)c1,UFVXBARCABEVDA-UHFFFAOYSA-N
|
| 86609 |
+
rxn:4:191103:226254,CCCOc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,UZSBIWVSUAQLKP-UHFFFAOYSA-N
|
| 86610 |
+
rxn:4:191114:224301,Cc1ccc(C(=O)C2=CN(c3cccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(F)c4F)c3)c3cc(F)ccc3S2(=O)=O)cc1,YUJOWLRFNRVHDG-UHFFFAOYSA-N
|
| 86611 |
+
rxn:4:191121:225564,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2F)C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1,PRJPNEWWFVIAFT-UHFFFAOYSA-N
|
| 86612 |
+
rxn:4:191123:223889,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4cccc5c4CN(C(=O)OC(C)(C)C)CC5)c32)CC1,XAUIEFIGZXTZAS-UHFFFAOYSA-N
|
| 86613 |
+
rxn:4:191123:227064,CC(C)(C)OC(=O)N1CCC2(CCc3cccc(-c4ccccc4OC(C)(C)C)c32)CC1,JRDQDGXKRBGPPJ-UHFFFAOYSA-N
|
| 86614 |
+
rxn:4:191124:226528,CCOC(=O)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,RKCCYABEOJISBK-UHFFFAOYSA-N
|
| 86615 |
+
rxn:4:191125:224292,Cc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)OCC(C)(C)C,SSDHLPDPKDXANG-UHFFFAOYSA-N
|
| 86616 |
+
rxn:4:191125:226241,COC(=O)CCc1cccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,ZLOWQHPWAHLKFH-UHFFFAOYSA-N
|
| 86617 |
+
rxn:4:191125:227267,CCOCc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1F,DNNCOZMAMMSPHM-UHFFFAOYSA-N
|
| 86618 |
+
rxn:4:191129:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1,YAHCYXMQRQJSLV-UHFFFAOYSA-N
|
| 86619 |
+
rxn:4:191129:226103,CCCOc1c(C)cc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)cc1C,TWURTRXQERIBDK-UHFFFAOYSA-N
|
| 86620 |
+
rxn:4:193019:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(OC4CCOCC4)nc3)c2)C1,AWJAFXMOGMKSEI-UHFFFAOYSA-N
|
| 86621 |
+
rxn:4:193238:223815,O=S(=O)(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1F)N1CCCC1,OPXBPCYRHWCMIN-UHFFFAOYSA-N
|
| 86622 |
+
rxn:4:193575:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)c(C(F)(F)F)c1,AUKOAIRNFPOHRO-UHFFFAOYSA-N
|
| 86623 |
+
rxn:4:193780:224409,Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1-c1cc(OCC(F)(F)F)cc(C(F)(F)F)c1,LCOACDDFCJJUKE-UHFFFAOYSA-N
|
| 86624 |
+
rxn:4:193966:224680,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cc(C(=O)N2CCCCC2)ccc1F,FBBSCNJIHAZGDH-UHFFFAOYSA-N
|
| 86625 |
+
rxn:4:195097:223492,Cc1cc(-c2ccc(C(F)F)nc2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DKCRJUYMOITIBC-UHFFFAOYSA-N
|
| 86626 |
+
rxn:4:197951:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc2c(c1)C(N1CCC(F)(F)CC1)CC2,GIUVWNZKWSOYIC-UHFFFAOYSA-N
|
| 86627 |
+
rxn:4:197978:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc3c(c2)CCCC3N2CCCC(F)(F)C2)c(F)c1,XYTFVRZILYODFI-UHFFFAOYSA-N
|
| 86628 |
+
rxn:4:197988:224619,CC1CCN(C2CCCc3c(-c4ccc(OCCN5CCCC5)c(F)c4)cccc32)CC1,CERNDWRKQBXFIN-UHFFFAOYSA-N
|
| 86629 |
+
rxn:4:199524:222796,CCOCC(=O)N1CCC(Oc2ncccc2-c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)C1,PDSXMBXBVQSGRN-UHFFFAOYSA-N
|
| 86630 |
+
rxn:4:199615:222969,O=C(NCC1CC1)c1ccc(-c2ccc(CSC3=NCCN3C(=O)c3ccccc3C(F)(F)F)cc2)cc1,ROGLKILBHMJNSE-UHFFFAOYSA-N
|
| 86631 |
+
rxn:4:199892:224842,CC(C)(C)OC(=O)n1cc(C(=O)CC#N)c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc21,MSICAZMYCODLOY-UHFFFAOYSA-N
|
| 86632 |
+
rxn:4:199968:222674,COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cccc(C(=O)NC2CCCCC2)c1F,AYGZTTIPDQKJIR-UHFFFAOYSA-N
|
| 86633 |
+
rxn:4:199999:226064,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C4CCCCC4)cc3)cc2ccn1C(=O)OC(C)(C)C,YLBYAAKGEKLSFX-UHFFFAOYSA-N
|
| 86634 |
+
rxn:4:199999:226779,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(C(=O)C(F)(F)F)cc3)cc2ccn1C(=O)OC(C)(C)C,LYCSKIFFOIAIRB-UHFFFAOYSA-N
|
| 86635 |
+
rxn:4:200031:228431,CSc1c(F)cc(F)cc1-c1cc2c(c(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c1)N(C(C)=O)CC2,PNELVXBGJNIRRF-UHFFFAOYSA-N
|
| 86636 |
+
rxn:4:200270:223692,O=C(CC(F)(F)F)N1CCC(Oc2ncccc2-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)C1,DRNUREUVNHFANB-UHFFFAOYSA-N
|
| 86637 |
+
rxn:4:200298:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(OC(=O)N(C(C)C)C(C)C)cn2)cc1,JGIISFMSKMHTBQ-UHFFFAOYSA-N
|
| 86638 |
+
rxn:4:200424:223997,COC(=O)CCN1CCN(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)CC1,TYBZXJDXMDBMIG-UHFFFAOYSA-N
|
| 86639 |
+
rxn:4:200441:225898,CCOC(=O)c1nc(N2CCC(C(F)(F)F)CC2)ccc1-c1cnn(CCN2CCOCC2)c1,HBCGETMCJKGWGC-UHFFFAOYSA-N
|
| 86640 |
+
rxn:4:200481:225898,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2cnn(CCN3CCOCC3)c2)C1,GJCQCEOIAWXNPG-IBGZPJMESA-N
|
| 86641 |
+
rxn:4:200619:222588,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3-c3ccc(OCCN4CCC(O)CC4)c(F)c3)C2)c1,JFBPUXMCCWRFAZ-UHFFFAOYSA-N
|
| 86642 |
+
rxn:4:200731:227902,CCc1cc(-c2cccc(C(F)(F)F)c2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N,AKDXUTGTECBHHY-UHFFFAOYSA-N
|
| 86643 |
+
rxn:4:200841:224170,COC(=O)C1CCN(Cc2ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc2N2CCCC2)CC1,XDZMDXROCZUJRN-UHFFFAOYSA-N
|
| 86644 |
+
rxn:4:200873:223817,COc1ccc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1,LCURWWGRCQSNBN-UHFFFAOYSA-N
|
| 86645 |
+
rxn:4:200877:222404,COc1cc(OC)cc(C2=NC3(CCCC3)N(C(=O)c3ccc(-c4ccc(C5NC(=O)NC5=O)cc4)cc3)C2=S)c1,CRVAPEWCDUORQA-UHFFFAOYSA-N
|
| 86646 |
+
rxn:4:201030:223167,CCOC(=O)N1CCN(C(=O)c2cc3cc(-c4ccnc(N5CCNCC5)c4)ccc3oc2=O)CC1,TVSAEPIWKFESDV-UHFFFAOYSA-N
|
| 86647 |
+
rxn:4:201034:223891,CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc21)c1ccccc1,JLIQWEADZQEZCS-UHFFFAOYSA-N
|
| 86648 |
+
rxn:4:201072:225294,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cc(-c4cnc(N5CCN(CC)CC5)nc4)ccc3OC)N2C1=O,AVFXXOQZPSBUCL-UHFFFAOYSA-N
|
| 86649 |
+
rxn:4:201091:225312,COc1cc(-c2cnc(N3CCCN(C)CC3)nc2)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,YCYPXSFATCRMAP-UHFFFAOYSA-N
|
| 86650 |
+
rxn:4:201109:223940,CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(-c4ccc5c(c4)OCCN5C(=O)OC(C)(C)C)cc32)C1,VYFAFRAEHQBVAF-UHFFFAOYSA-N
|
| 86651 |
+
rxn:4:201170:222573,O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(-c2cc(F)cc(C(=O)NCC4CCCCC4)c2)cc1)CCCC3)c1ccc(F)cc1,FKHYMPRYNRBSMO-UHFFFAOYSA-N
|
| 86652 |
+
rxn:4:201521:222604,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN(C)C2CC2)cc1S(=O)(=O)NC1CCCC1,FYXHYRDAOIZMSB-UHFFFAOYSA-N
|
| 86653 |
+
rxn:4:201521:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc([N+](=O)[O-])cc1CN(C)C1CC1,PZFNLTWBVPNMKX-UHFFFAOYSA-N
|
| 86654 |
+
rxn:4:201772:222723,COC(=O)CC1CCCCN1c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cn1,HFYGHXLFXGCDSF-UHFFFAOYSA-N
|
| 86655 |
+
rxn:4:201836:225977,CC(C)(C)OC(=O)N1CCOC(c2nc(-c3cc(Cl)cnc3N3CCOCC3)cs2)C1,SHXOABLOGVJEBS-UHFFFAOYSA-N
|
| 86656 |
+
rxn:4:201936:222693,CN(C)CC1CSCCCN1C(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)o1,IADSSBXKZCSSIA-UHFFFAOYSA-N
|
| 86657 |
+
rxn:4:201993:224884,CC1CCN(Cc2cccc(-c3cccc(C4CN(C(=O)OC(C)(C)C)CCO4)n3)c2)CC1,BMUFTXAGPFYIPL-UHFFFAOYSA-N
|
| 86658 |
+
rxn:4:202014:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1CN1CCN(S(=O)(=O)C2CC2)CC1,GUGQEBNPYIGIBT-UHFFFAOYSA-N
|
| 86659 |
+
rxn:4:202014:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccccc1CN1CCN(S(=O)(=O)C2CC2)CC1,YHEZJLHOPPQQMJ-UHFFFAOYSA-N
|
| 86660 |
+
rxn:4:202127:223940,CC(C)(C)OC(=O)N1CCC(c2ccncc2-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)CC1,JPKOFFLDYKLGLM-UHFFFAOYSA-N
|
| 86661 |
+
rxn:4:202134:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(Cl)c2)CC1,VQRBWFAGGIAEDU-UHFFFAOYSA-N
|
| 86662 |
+
rxn:4:202143:226893,COc1cc(C)c(-c2cc(Cl)c(C(F)(F)F)cc2F)cc1S(=O)(=O)N1CCN(C(C)=O)CC1,SQVWHYQFTIFHHG-UHFFFAOYSA-N
|
| 86663 |
+
rxn:4:202152:222514,COc1ccc(-c2ccc(C3CC(c4ccco4)=NN3C(=O)C3CCCO3)cc2)cc1S(=O)(=O)NC1CCCCC1,HZLWYUWXPRINMO-UHFFFAOYSA-N
|
| 86664 |
+
rxn:4:202167:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(CN4CCCN(S(=O)(=O)C5CC5)CC4)cc3)c2)CC1,NDLXCWGJGDBSEN-UHFFFAOYSA-N
|
| 86665 |
+
rxn:4:202229:222405,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C2NC(=O)NC2=O)c1,IIBLRCITLUXCFK-UHFFFAOYSA-N
|
| 86666 |
+
rxn:4:202270:224349,O=C(C1CCCN(Cc2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)C1)N1CCOCC1,UGACFNCMSOIGBD-UHFFFAOYSA-N
|
| 86667 |
+
rxn:4:202271:225976,O=C(C1CCCN(Cc2ccccc2-c2ccnc(N3CCOCC3)c2F)C1)N1CCOCC1,NRGIDJSNYKKAEB-UHFFFAOYSA-N
|
| 86668 |
+
rxn:4:202284:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1CN1CCC(N2CCCC2)CC1,GDWWCAOCIRRVOP-UHFFFAOYSA-N
|
| 86669 |
+
rxn:4:202284:223077,COc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1CN1CCC(N2CCCC2)CC1,YXNZLGWTFZKAGB-UHFFFAOYSA-N
|
| 86670 |
+
rxn:4:202284:223098,COc1ccc(-c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1CN1CCC(N2CCCC2)CC1,IODXZQDZMJSILC-UHFFFAOYSA-N
|
| 86671 |
+
rxn:4:202310:223384,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cn1,ZESRDKAVCFIWKB-UHFFFAOYSA-N
|
| 86672 |
+
rxn:4:202310:228875,N#Cc1c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccnc1Cl,RAEVPBLNSIVQCZ-UHFFFAOYSA-N
|
| 86673 |
+
rxn:4:202310:228890,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cnc1F,IVPSJVGMEACHQR-UHFFFAOYSA-N
|
| 86674 |
+
rxn:4:202310:229081,CN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)s1,RHWNIZSSYRMBDP-UHFFFAOYSA-N
|
| 86675 |
+
rxn:4:202328:226921,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)c(C)cc3C)CC2)CC1,MBECRYVWXRWSRO-UHFFFAOYSA-N
|
| 86676 |
+
rxn:4:202398:224485,COc1ncc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c2nc(OS(=O)(=O)C(F)(F)F)ccc12,ILGPDIYEHFPQJU-UHFFFAOYSA-N
|
| 86677 |
+
rxn:4:202750:223528,CC1CCN(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,UJECMMJXZWPPGI-UHFFFAOYSA-N
|
| 86678 |
+
rxn:4:202755:225979,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(N5CCOCC5)c(Cl)c4)ccc3OCC2=O)CC1,QIUHJMMGOJLTMN-UHFFFAOYSA-N
|
| 86679 |
+
rxn:4:202807:222845,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCNCC3)cc2)cc1,UYKNIDVOPSNPFY-UHFFFAOYSA-N
|
| 86680 |
+
rxn:4:202807:222967,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(=O)NCC(C)C)c2)cc1,HWYLIXQTDNWXGG-UHFFFAOYSA-N
|
| 86681 |
+
rxn:4:202807:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,JPIOYBYHEATIBM-UHFFFAOYSA-N
|
| 86682 |
+
rxn:4:203560:222604,COc1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCCC2)cc1S(=O)(=O)NC1CCCC1,WFCJMEOKKUIVRC-UHFFFAOYSA-N
|
| 86683 |
+
rxn:4:203638:222514,COc1ccc(-c2ccc(S(=O)(=O)NN3CCOCC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SNXFKCLPNYYORH-UHFFFAOYSA-N
|
| 86684 |
+
rxn:4:203642:222723,COC(=O)c1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cnc1N1CCOCC1,LJVZCSHQDBLQAO-UHFFFAOYSA-N
|
| 86685 |
+
rxn:4:203684:222694,COc1c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cncc1S(=O)(=O)N1CCOCC1,GUQFRBJMFZEBFB-UHFFFAOYSA-N
|
| 86686 |
+
rxn:4:203693:223867,CC1CCN(CCCOc2cccc(-c3ccc(C#N)c(N4CCCC(C(F)(F)F)C4)c3)c2)CC1,UOPAMQMNKQQMPF-UHFFFAOYSA-N
|
| 86687 |
+
rxn:4:203723:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc([N+](=O)[O-])c(CN2CCCCC2)c1,CYMWFAHGYRJBSQ-UHFFFAOYSA-N
|
| 86688 |
+
rxn:4:203731:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,SXXTWRDMROYIKN-UHFFFAOYSA-N
|
| 86689 |
+
rxn:4:203731:222604,COc1ccc(-c2ccc(C(=O)N3CC(N4CCCC4)C3)o2)cc1S(=O)(=O)NC1CCCC1,LZHUBBUHKQNPKY-UHFFFAOYSA-N
|
| 86690 |
+
rxn:4:203731:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,IOWZBMIWAPESBN-UHFFFAOYSA-N
|
| 86691 |
+
rxn:4:203731:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(=O)N2CC(N3CCCC3)C2)o1,CMRPEYQETBUPEG-UHFFFAOYSA-N
|
| 86692 |
+
rxn:4:203731:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)ccc2C)CC1,ADYDNKKOBDBUSY-UHFFFAOYSA-N
|
| 86693 |
+
rxn:4:203731:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)cc2)CC1,WDHBMMWICZMVAT-UHFFFAOYSA-N
|
| 86694 |
+
rxn:4:204114:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,ZAGMJNHBXRBXPS-UHFFFAOYSA-N
|
| 86695 |
+
rxn:4:204114:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,LZHWCPZHBZYNAF-UHFFFAOYSA-N
|
| 86696 |
+
rxn:4:204114:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,YWQBUAOXYWAZGZ-UHFFFAOYSA-N
|
| 86697 |
+
rxn:4:204115:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,YTYIORNCHJMZDW-UHFFFAOYSA-N
|
| 86698 |
+
rxn:4:204131:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(CN2CCC(N3CCOCC3)CC2)cc1,VNXPXBXXLKCXGC-UHFFFAOYSA-N
|
| 86699 |
+
rxn:4:204134:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCOC2)CC1,WYRRGNPLHTUOQC-UHFFFAOYSA-N
|
| 86700 |
+
rxn:4:204135:223179,CONC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc1F,DKJZAENGIVSIAW-UHFFFAOYSA-N
|
| 86701 |
+
rxn:4:204135:223180,CONC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1F,MQTOMYCPNNQJHY-UHFFFAOYSA-N
|
| 86702 |
+
rxn:4:204135:223273,CNC(=O)c1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1F,CQKAERHKBGKPSB-UHFFFAOYSA-N
|
| 86703 |
+
rxn:4:204474:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4nc(Cl)ccc34)cc21,QTZIMPCFHFOXDD-UHFFFAOYSA-N
|
| 86704 |
+
rxn:4:204508:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnc3c2CCN3C(=O)OC(C)(C)C)cc1,ZSIYYSGPYZRQSR-UHFFFAOYSA-N
|
| 86705 |
+
rxn:4:204780:223157,CCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,ZGLISJIUJWMJAU-UHFFFAOYSA-N
|
| 86706 |
+
rxn:4:204928:223575,COc1ccc(C2c3c(oc4ccc(-c5ccccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,QUOYEENCCNRQQU-UHFFFAOYSA-N
|
| 86707 |
+
rxn:4:206431:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(Cl)c(C(=O)N3CCOCC3)c2)CC1,BAYCSLUUWFWAOH-UHFFFAOYSA-N
|
| 86708 |
+
rxn:4:206445:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)c2)CC1,WYXBZWVYPCEOEP-UHFFFAOYSA-N
|
| 86709 |
+
rxn:4:206525:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)nc2)cc1S(=O)(=O)NC1CCCCC1,VPRURJXQZYJPJI-UHFFFAOYSA-N
|
| 86710 |
+
rxn:4:206525:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)nc2)cc1S(=O)(=O)NC1CCCC1,YYQRPSPWQXQBDO-UHFFFAOYSA-N
|
| 86711 |
+
rxn:4:206705:223660,CC1COCCN1C(=O)c1cncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,ODCYLOJMBLKCKO-UHFFFAOYSA-N
|
| 86712 |
+
rxn:4:206963:224188,CC(C)N(C(=O)c1ccc(-c2ccccc2N2CCN(S(C)(=O)=O)CC2)c(Cl)c1)C(C)C,RVLMVYUKBMKMDC-UHFFFAOYSA-N
|
| 86713 |
+
rxn:4:207026:224061,CCCC1CCC(c2ccc(-c3cncc(C(=O)N4CCC5(CC4)OCCO5)c3)c(F)c2)CC1,SRXPUHBOIVYKKO-UHFFFAOYSA-N
|
| 86714 |
+
rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
|
| 86715 |
+
rxn:4:212526:226508,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(OCC3CC3)nc2F)CC1,OVMUTKCKPRUZSG-UHFFFAOYSA-N
|
| 86716 |
+
rxn:4:212555:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnc(OC4CCN(C(=O)COc5ccc(F)cc5)C4)nc3)c(F)c2)CC1,NRAIZLQIZMIGIZ-UHFFFAOYSA-N
|
| 86717 |
+
rxn:4:212607:224552,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(COC4CCCCC4)c3)cn2)CC1,RLHQKRNVHRYQNE-UHFFFAOYSA-N
|
| 86718 |
+
rxn:4:212608:225975,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,ILYVBEZLVQWAFI-UHFFFAOYSA-N
|
| 86719 |
+
rxn:4:212611:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OC4CCN(CCOc5ccccc5)CC4)nc3)cn2)CC1,DQQCKAUJDYGLKU-UHFFFAOYSA-N
|
| 86720 |
+
rxn:4:212622:224393,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,CHHDALDIEPNVQF-UHFFFAOYSA-N
|
| 86721 |
+
rxn:4:212630:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)C1,KUVWYTZADFIHRF-UHFFFAOYSA-N
|
| 86722 |
+
rxn:4:212631:224777,O=C(c1cncc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,YWMUBGNZRFIBLI-UHFFFAOYSA-N
|
| 86723 |
+
rxn:4:212637:227879,CN(C(=O)c1ccc(-c2cccc(CCC#N)c2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,MZJVIITUTUVADB-UHFFFAOYSA-N
|
| 86724 |
+
rxn:4:212639:225977,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cc(Cl)cnc3N3CCOCC3)c2)CC1,IDFXFWDPGCVXCW-UHFFFAOYSA-N
|
| 86725 |
+
rxn:4:212639:225984,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,QMAQLGHHUNOAGQ-UHFFFAOYSA-N
|
| 86726 |
+
rxn:4:212642:225760,CCN(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)o2)c(F)c1,FSMARIVGZUUQTO-UHFFFAOYSA-N
|
| 86727 |
+
rxn:4:212650:225877,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,JDUQEZIUJVFFMM-UHFFFAOYSA-N
|
| 86728 |
+
rxn:4:212657:222723,COc1ccccc1CN1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,CGVQARBCJHKRKJ-UHFFFAOYSA-N
|
| 86729 |
+
rxn:4:212660:222723,COc1cccc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c1,YWVSXDDXPRDPBV-UHFFFAOYSA-N
|
| 86730 |
+
rxn:4:212662:222723,COc1ccc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,LILNIGJXJSHXKM-UHFFFAOYSA-N
|
| 86731 |
+
rxn:4:212727:222776,Cc1ccccc1-n1c(-c2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2)cnc1SCC(=O)N1CCCCC1,HXYHATYTVLDNEU-UHFFFAOYSA-N
|
| 86732 |
+
rxn:4:212839:229080,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C5CC5)s4)ccn23)CC1,HHBHPLHDSFQTNL-UHFFFAOYSA-N
|
| 86733 |
+
rxn:4:212973:223927,C[Si](C)(C)CCOCn1c(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cc2cccnc21,VETORLOZSQGYAN-UHFFFAOYSA-N
|
| 86734 |
+
rxn:4:212991:223049,O=C(NC1CC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c(F)c1,MGSMTJTYNHNFLB-UHFFFAOYSA-N
|
| 86735 |
+
rxn:4:213011:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(Cl)c2)CC1,NDQPKURFGNXSAH-UHFFFAOYSA-N
|
| 86736 |
+
rxn:4:213018:222730,CCCc1cc(-c2cnn(CC3CN(C(=O)C4(c5ccc(F)cc5)CC4)C3)c2)cc(C2CCNCC2)n1,XWXFKCXHAMPWSF-UHFFFAOYSA-N
|
| 86737 |
+
rxn:4:213066:224251,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)o3)c(F)c2)C1,KKMABYUKYMFIHM-UHFFFAOYSA-N
|
| 86738 |
+
rxn:4:213070:226298,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(F)cc3OCC3CC3)cn2)CC1,RGZOTENLABTQIZ-UHFFFAOYSA-N
|
| 86739 |
+
rxn:4:213097:223061,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cc(C4CCNCC4)ncc3F)cn2)CC1,XEUVLGISDUFEOE-UHFFFAOYSA-N
|
| 86740 |
+
rxn:4:213100:228338,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(OC4CCC4)s3)c(C(F)(F)F)n2)CC1,COTPBUNJMFWLCT-UHFFFAOYSA-N
|
| 86741 |
+
rxn:4:213127:225179,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(Cl)c3CN3CCOCC3)ccn2)CC1,QKQUDUJAOWKAKS-UHFFFAOYSA-N
|
| 86742 |
+
rxn:4:213132:224759,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,LPWPZWDQPXOIIL-UHFFFAOYSA-N
|
| 86743 |
+
rxn:4:213191:223018,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)nc2)CC1,LUFUXUSUPOTRRE-UHFFFAOYSA-N
|
| 86744 |
+
rxn:4:213198:225947,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)nc3)c2)nc1C,JQWZGGROKDSQEZ-UHFFFAOYSA-N
|
| 86745 |
+
rxn:4:213215:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cnc(OCC4CCN(CC5CCOCC5)CC4)nc3)cc2)ccc1F,RUSPJRABUUHABZ-UHFFFAOYSA-N
|
| 86746 |
+
rxn:4:213260:223279,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4cnc(C5CCCN5)nc4)cn3)C2)CC1,MVQRRKWTSWLPHG-UHFFFAOYSA-N
|
| 86747 |
+
rxn:4:213269:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(OC)cc2C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,FWAHPAJGIUFDFS-UHFFFAOYSA-N
|
| 86748 |
+
rxn:4:213390:223532,CCC(=O)N1CCCC1c1nc2ccccc2n1Cc1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,UJPQRUIGQFUBOR-UHFFFAOYSA-N
|
| 86749 |
+
rxn:4:213441:225010,O=C(Cn1ccc2cc(-c3ccc(F)c(CN4CCCCC4)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,AJLXGOAODGNBNN-UHFFFAOYSA-N
|
| 86750 |
+
rxn:4:213475:222777,COc1cc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,QIBPEWPOSSWYJX-NZQBQMMGSA-N
|
| 86751 |
+
rxn:4:213480:223043,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JHFUPDNIZOKIIE-VAALAVNJSA-N
|
| 86752 |
+
rxn:4:213765:224718,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)n2)C1,IGVARAWIGCIWBF-UHFFFAOYSA-N
|
| 86753 |
+
rxn:4:213781:222693,Cc1csc(CN2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)CC2)n1,VTZVSWDJJIMCLV-UHFFFAOYSA-N
|
| 86754 |
+
rxn:4:213781:222694,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)CC2)n1,WMYDTALHBYCARE-UHFFFAOYSA-N
|
| 86755 |
+
rxn:4:213801:222634,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,VKTXOKBZXKSRKJ-UHFFFAOYSA-N
|
| 86756 |
+
rxn:4:213880:225982,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cnc(N3CCOCC3)cc2F)CC1,RHTVHBYYIUFRMH-UHFFFAOYSA-N
|
| 86757 |
+
rxn:4:213892:225978,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(N3CCOCC3)nc2F)CC1,CJYOAQQCGYVQPJ-UHFFFAOYSA-N
|
| 86758 |
+
rxn:4:213897:222634,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCNC3CCCC3)c(F)c2)CC1,FNGHKNLOJOVPMJ-UHFFFAOYSA-N
|
| 86759 |
+
rxn:4:213925:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCCCC4)n3)cc2)cc1F,AZPUUNRGUGLHBB-UHFFFAOYSA-N
|
| 86760 |
+
rxn:4:213931:223897,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCCCN1CCOCC1,SROPRXCGSAHENU-UHFFFAOYSA-N
|
| 86761 |
+
rxn:4:213932:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,JUFCMUVEWHCKPK-UHFFFAOYSA-N
|
| 86762 |
+
rxn:4:213971:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UBFRCEIERJPZCU-UHFFFAOYSA-N
|
| 86763 |
+
rxn:4:214031:222606,CC(C)(C)NC(=O)c1c(-c2ccccc2C(=O)N2CCCC(c3nnc(-c4ccccc4F)s3)C2)cccc1C(F)(F)F,JYGHBESCPRLUDH-UHFFFAOYSA-N
|
| 86764 |
+
rxn:4:214074:223169,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,NBKWZPGTMCHYHX-UHFFFAOYSA-N
|
| 86765 |
+
rxn:4:214085:225138,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccn(-c4ccnc(C5CC5)c4)n3)cc2)N=C1C1CCCCC1,OIUGCHYWOMWHIS-UHFFFAOYSA-N
|
| 86766 |
+
rxn:4:214276:224718,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(OCCN5CCOCC5)nc4)cnc3[nH]2)CC1,GCLSBVLKUVSUSR-UHFFFAOYSA-N
|
| 86767 |
+
rxn:4:214335:226464,COc1ccc2c(c1-c1ccccc1CN1CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC1)OCCO2,WXPJXZKYZDTQHZ-UHFFFAOYSA-N
|
| 86768 |
+
rxn:4:214379:222863,CCCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc1Cl,PTOCXIWYBPKKPD-UHFFFAOYSA-N
|
| 86769 |
+
rxn:4:214628:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c3ccccc23)CC1,POWBFKMHVURFIO-UHFFFAOYSA-N
|
| 86770 |
+
rxn:4:214681:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCCCC2C(F)(F)F)n1,DESNAAXNXLKUQG-UHFFFAOYSA-N
|
| 86771 |
+
rxn:4:214819:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OLRVTIXEKLYRGS-UHFFFAOYSA-N
|
| 86772 |
+
rxn:4:214830:224171,O=C(C1CN(c2ccc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,HAEVHULPDDKBLE-UHFFFAOYSA-N
|
| 86773 |
+
rxn:4:214838:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LWZYBQPTGVXLKQ-UHFFFAOYSA-N
|
| 86774 |
+
rxn:4:214839:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,WZTHGWVGKVBAPH-UHFFFAOYSA-N
|
| 86775 |
+
rxn:4:214862:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,HWXMQWXKYVKSHM-UHFFFAOYSA-N
|
| 86776 |
+
rxn:4:214865:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,TUSBMDSFWHDALN-UHFFFAOYSA-N
|
| 86777 |
+
rxn:4:214871:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1,DRNPUFFRPRRHFT-UHFFFAOYSA-N
|
| 86778 |
+
rxn:4:214872:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,YYYHEJSJGJLVIO-UHFFFAOYSA-N
|
| 86779 |
+
rxn:4:215134:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(Sc4nc(N5CCOCC5)c5sccc5n4)cc3)c2Cl)CC1,FKOULCTUHJBVRH-UHFFFAOYSA-N
|
| 86780 |
+
rxn:4:215170:225076,COC(=O)c1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c2cccnc12,KMVLHAOJQOERMW-UHFFFAOYSA-N
|
| 86781 |
+
rxn:4:215170:225533,CCN(CC)Cc1cc(F)cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,FVPDPHGFGOMLBY-UHFFFAOYSA-N
|
| 86782 |
+
rxn:4:215170:225539,CCN(CC)Cc1c(F)cccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,HGFIXGRLVJGGJY-UHFFFAOYSA-N
|
| 86783 |
+
rxn:4:215925:223787,CC(C)c1cc(N2CCOCC2)nc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)n1,MRZWHVSGZZIDQK-UHFFFAOYSA-N
|
| 86784 |
+
rxn:4:215989:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1,GIBJCEYGKMZWJX-UHFFFAOYSA-N
|
| 86785 |
+
rxn:4:216262:223844,Cc1nn(-c2ccc(C#N)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)c2c1C(=O)CC(C)(C)C2,BORKQBKCQMQAES-UHFFFAOYSA-N
|
| 86786 |
+
rxn:4:218583:222771,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)CC2)cc1,UHBASGGBACMDFG-UHFFFAOYSA-N
|
| 86787 |
+
rxn:4:218643:222776,O=C(c1cncc(-c2ccc(CN3CCC(O)CC3)cc2F)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1,PWVLQAKBPIGRJE-UHFFFAOYSA-N
|
| 86788 |
+
rxn:4:218682:226297,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(COC(C)C)c4)cn3)C2)CC1,FCVUXZBNRKVKJW-UHFFFAOYSA-N
|
| 86789 |
+
rxn:4:218699:225977,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cc(Cl)cnc4N4CCOCC4)c3)ccc2C#N)CC1,GSGFFGQDIKYHLX-UHFFFAOYSA-N
|
| 86790 |
+
rxn:4:218706:225010,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(F)c(CN5CCCCC5)c4)c3C)CC2)cc1C,DEMPSMOVOOWZDE-UHFFFAOYSA-N
|
| 86791 |
+
rxn:4:218766:223866,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cn3)CC2)c2ccccc21,SWJCYCLIKJMMJB-UHFFFAOYSA-N
|
| 86792 |
+
rxn:4:218831:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)c2)CC1,WLMGGNCTLCSEEH-UHFFFAOYSA-N
|
| 86793 |
+
rxn:4:218854:223831,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OC)c(S(=O)(=O)N5CCC(C)CC5)c4)ccc3Cl)C2)nn1,FKOSKFJVMNSVDH-UHFFFAOYSA-N
|
| 86794 |
+
rxn:4:218867:226364,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4)nc3)c2)no1,NLMNECQDVSOLEN-UHFFFAOYSA-N
|
| 86795 |
+
rxn:4:218888:224772,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,CZWPELZKWWKBGX-UHFFFAOYSA-N
|
| 86796 |
+
rxn:4:218919:224254,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)C2)cn1,NBFXHLAFDIIGPJ-UHFFFAOYSA-N
|
| 86797 |
+
rxn:4:218975:224704,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2C#N)CC1,NDYYHIKQXPGGHE-UHFFFAOYSA-N
|
| 86798 |
+
rxn:4:219013:225138,CC1CN(c2c(-c3ccn(-c4ccnc(C5CC5)c4)n3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,QZKGDBMERHHMIX-UHFFFAOYSA-N
|
| 86799 |
+
rxn:4:219053:223006,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(C5CCNCC5)c4)c3)cn2)CC1,MVBOAAWEHRYOEC-UHFFFAOYSA-N
|
| 86800 |
+
rxn:4:219066:225593,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCCC4)c3)cn2)CC1,XADXZTJXNLNGOS-UHFFFAOYSA-N
|
| 86801 |
+
rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
|
| 86802 |
+
rxn:4:219281:223533,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,RDCASLNZYWGJSD-UHFFFAOYSA-N
|
| 86803 |
+
rxn:4:219416:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)o2)CC1,VFEJZUZXIZYKQO-UHFFFAOYSA-N
|
| 86804 |
+
rxn:4:219451:222913,Cn1cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,WAXDPNBORDWPJG-UHFFFAOYSA-N
|
| 86805 |
+
rxn:4:219537:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1,DXSKBDQSVCRTFF-UHFFFAOYSA-N
|
| 86806 |
+
rxn:4:219552:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,OESUYUONQKSHBT-UHFFFAOYSA-N
|
| 86807 |
+
rxn:4:219562:222845,CC(c1ccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)cc1)N1CCNCC1,KHCYHUGEDHFCSN-UHFFFAOYSA-N
|
| 86808 |
+
rxn:4:219767:223602,CN1CCN(n2c3c(c(SCc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4)nc2=O)CCC3)CC1,RTEBFFLELGJJNU-UHFFFAOYSA-N
|
| 86809 |
+
rxn:4:219867:222896,CCN1CCN(c2ncc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2[N+](=O)[O-])CC1,NHUQVCVRQYAKSL-UHFFFAOYSA-N
|
| 86810 |
+
rxn:4:219891:225009,Cc1cnc(OC2CCCCC2)c(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)c1,ZLGJAXFKEMTOOI-UHFFFAOYSA-N
|
| 86811 |
+
rxn:4:219908:222604,COc1ccc(-c2ccc(-c3nc(C#N)c(N4CCCN(C)CC4)o3)o2)cc1S(=O)(=O)NC1CCCC1,NXJJKSKDQLMYAS-UHFFFAOYSA-N
|
| 86812 |
+
rxn:4:219934:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc(C(F)(F)F)c2)CC1,NLNBGLQIPKLGAI-UHFFFAOYSA-N
|
| 86813 |
+
rxn:4:219959:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CCO1)N1CCOCC1,DBCQRBBJONQDCK-UHFFFAOYSA-N
|
| 86814 |
+
rxn:4:220204:222584,O=C(C1CN(c2ncnc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc23)CCO1)N1CCOCC1,IDWHTRNBCOEPSQ-UHFFFAOYSA-N
|
| 86815 |
+
rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
|
| 86816 |
+
rxn:4:220205:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,STSXAHMQGAOULR-UHFFFAOYSA-N
|
| 86817 |
+
rxn:4:220221:225172,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCOCC5)ccc4F)cc2)OC3)CC1,AIOJESHHUKILJH-UHFFFAOYSA-N
|
| 86818 |
+
rxn:4:220426:223927,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc2cccnc21,MPZONUCVTPGHKX-UHFFFAOYSA-N
|
| 86819 |
+
rxn:4:220545:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2[N+](=O)[O-])CC1,USYBWHKIBBKIDG-UHFFFAOYSA-N
|
| 86820 |
+
rxn:4:220788:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOCC4)nn3)c2)CC1,ORISPSGKIINPOI-UHFFFAOYSA-N
|
| 86821 |
+
rxn:4:221090:222772,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(Cl)c(C(=O)NC3CCCC3)c2)cn1,BHTLPACFTDQVFP-UHFFFAOYSA-N
|
| 86822 |
+
rxn:4:221098:223107,COc1ncc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1NS(C)(=O)=O,NIQUZJIKNAEEBJ-UHFFFAOYSA-N
|
| 86823 |
+
rxn:4:221172:222546,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)ccc1=O,SKXZKSQOMDLTPS-UHFFFAOYSA-N
|
| 86824 |
+
rxn:4:221180:225227,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)cn3)CC2)nn1C,GJMQFOVGSNEKOJ-UHFFFAOYSA-N
|
| 86825 |
+
rxn:4:221186:225123,CN(CC1CCN(c2ncc(-c3ccncc3OCC3CCCCO3)cn2)CC1)c1cc(C(F)(F)F)ccn1,PPXGYQNZHYMOKI-UHFFFAOYSA-N
|
| 86826 |
+
rxn:4:221226:222614,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OCC3CCCN(Cc4cn5ccccc5n4)C3)nc2)c(C(F)(F)F)c1,USJHYLDEWZRTBV-UHFFFAOYSA-N
|
| 86827 |
+
rxn:4:221227:222546,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,GOTXSTGVNCEJDC-UHFFFAOYSA-N
|
| 86828 |
+
rxn:4:221412:222584,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1,LKQODVSWRYOOBL-UHFFFAOYSA-N
|
| 86829 |
+
rxn:4:221413:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2Cl)CC1,AEMDQUPPIFAPRW-UHFFFAOYSA-N
|
| 86830 |
+
rxn:4:221546:222951,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(NC(C)=O)cc3C(F)(F)F)cc2)n(C)c1=O,RHHQUVSUVVJDTP-UHFFFAOYSA-N
|
| 86831 |
+
rxn:4:221572:225977,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,MKHTUPMGIPDQJA-UHFFFAOYSA-N
|
| 86832 |
+
rxn:4:221618:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1,SVVDGRHDNWDXON-UHFFFAOYSA-N
|
| 86833 |
+
rxn:4:221641:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)CC1,FXWATNZVNSCKOG-UHFFFAOYSA-N
|
| 86834 |
+
rxn:4:221731:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)CC1,NUXNKDSLSGBIOB-UHFFFAOYSA-N
|
| 86835 |
+
rxn:4:221933:222654,CN(C(=O)c1cncc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,LPDIAJJWMWFDQX-UHFFFAOYSA-N
|
| 86836 |
+
rxn:4:221935:222723,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,UXUCDKSHXCXIEJ-UHFFFAOYSA-N
|
| 86837 |
+
rxn:4:221943:225928,Cc1ccc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)cc1S(=O)(=O)N(C)C,WDJLEDDMRJZNTR-UHFFFAOYSA-N
|
| 86838 |
+
rxn:4:221961:223753,Cc1ccc(-c2cncc(C(=O)N3CCC(Oc4ncc(-c5cnn(C)c5)cn4)CC3)c2)cc1OCCCN1CCN(C)CC1,HBXPFDBEKNAXAN-UHFFFAOYSA-N
|
| 86839 |
+
rxn:4:221977:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cnc2C1,UHICAUGRYUPCFF-UHFFFAOYSA-N
|
| 86840 |
+
rxn:4:221980:222634,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)sc3n2)CC1,CRAFGLGPHDDEGE-UHFFFAOYSA-N
|
| 86841 |
+
rxn:4:221980:225172,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)sc3n2)CC1,DFXSWFPPXWPEKZ-UHFFFAOYSA-N
|
| 86842 |
+
rxn:4:222008:222584,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1C,RQHNYJVVTIQGCB-UHFFFAOYSA-N
|
| 86843 |
+
rxn:4:222008:223595,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)n1C,ZPAMZILKABNKIV-UHFFFAOYSA-N
|
| 86844 |
+
rxn:4:222008:223787,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1C,GQLGAERPNCDRIX-UHFFFAOYSA-N
|
| 86845 |
+
rxn:4:222039:222629,CC(C)(C)c1cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)cc(C2CCCNC2)n1,VOMWGIAKKNMNFY-UHFFFAOYSA-N
|
| 86846 |
+
rxn:4:222055:224355,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(N6CCC7(CC6)OCCO7)nc5)c4)CC3)nn2)n1,ZHSZYPSRCNNFIQ-UHFFFAOYSA-N
|
| 86847 |
+
rxn:4:222137:222948,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,FAPQITPKMQIMDY-UHFFFAOYSA-N
|
| 86848 |
+
rxn:4:222228:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)cc(F)c2F)CC1,RDILFZIBCRSKRR-UHFFFAOYSA-N
|
| 86849 |
+
rxn:4:222331:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2F)CC1,VPCZLELPAQGDEK-UHFFFAOYSA-N
|
| 86850 |
+
rxn:4:222333:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc1,AJDVJJDVPURROL-UHFFFAOYSA-N
|
| 86851 |
+
rxn:4:222389:199480,O=C(CC=NOCc1cnc(Cl)s1)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CVCWMNONVCJHIN-UHFFFAOYSA-N
|
| 86852 |
+
rxn:4:222513:204026,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCN(C)CC1,CEVVPPGBNPLXKH-UHFFFAOYSA-N
|
| 86853 |
+
rxn:4:222523:178949,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)C(F)(F)F)cc2Cl)c(C(F)(F)F)c1,RDSUYNKMWSAHDT-UHFFFAOYSA-N
|
| 86854 |
+
rxn:4:222723:218912,Cc1oncc1CN1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,DXVOOIGVEZOUEC-UHFFFAOYSA-N
|
| 86855 |
+
rxn:4:222723:219433,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CCN(c2ccc(C3CC3)nn2)CC1,LRSJQRKIXWVCFS-UHFFFAOYSA-N
|
| 86856 |
+
rxn:4:222783:174516,CC(C)[Si](Oc1ccccc1-c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,XWMHOIBTUUETIQ-UHFFFAOYSA-N
|
| 86857 |
+
rxn:4:222981:218867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(NC4CCCCC4)c3)c2)no1,ZBTXUUIZDKHVMJ-UHFFFAOYSA-N
|
| 86858 |
+
rxn:4:223061:215288,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(C5CCNCC5)ncc4F)cc2)C1=O)C3,LYVGMNVWTKQLFN-UHFFFAOYSA-N
|
| 86859 |
+
rxn:4:223080:199820,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)cc1,OUIMSRFTCHCJSQ-SFHVURJKSA-N
|
| 86860 |
+
rxn:4:223481:197690,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(-c4nc5cc(Cl)ccc5s4)ccc3F)c(F)c2)CC1,RPPUTUPVRGBJRG-UHFFFAOYSA-N
|
| 86861 |
+
rxn:4:223481:198780,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c4nc(Cl)ccc4c3)c(F)c2)CC1,CQRWKGZAJZRVFX-UHFFFAOYSA-N
|
| 86862 |
+
rxn:4:223540:205342,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(S(=O)(=O)NN)cc1,SVQQHZDDALTOCM-UHFFFAOYSA-N
|
| 86863 |
+
rxn:4:223580:174428,COC(=O)c1ccc2c(c1)cc(-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C,VVUKHBIEPMMTAS-UHFFFAOYSA-N
|
| 86864 |
+
rxn:4:223830:177842,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)CC4CCC4)cc3)ccc2C)CC1,GXHWBWVSYGIJFB-UHFFFAOYSA-N
|
| 86865 |
+
rxn:5:176587:223054:223062,CCOC(=O)c1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1cnc(C2CCNCC2)cc1F,OHXRLUDBIQTOQK-UHFFFAOYSA-N
|
| 86866 |
+
rxn:5:176593:223062:223054,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,KFGCCIREZRUKTG-UHFFFAOYSA-N
|
| 86867 |
+
rxn:5:176853:225499:225499,COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccc(C3CCCCC3)cc2F)cc1OC,JACJRNKOHUMZLR-UHFFFAOYSA-N
|
| 86868 |
+
rxn:5:176860:223061:225871,COC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,YAKDGJARTDSIDH-UHFFFAOYSA-N
|
| 86869 |
+
rxn:5:176863:223061:225871,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)cc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,QGRHGAKFCGOFHP-UHFFFAOYSA-N
|
| 86870 |
+
rxn:5:176865:225871:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,QRQZBCJUHLJNLX-UHFFFAOYSA-N
|
| 86871 |
+
rxn:5:177180:226426:223064,CCOC(=O)c1c(C)cc(-c2ccc(N3CCC(C)CC3)s2)cc1-c1ccc(C2CCNCC2)nc1F,NXIMQYFPWIIIMR-UHFFFAOYSA-N
|
| 86872 |
+
rxn:5:177184:223062:226426,CCOC(=O)c1c(-c2ccc(N3CCC(C)CC3)s2)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,ILTYGCPBCHIDFA-UHFFFAOYSA-N
|
| 86873 |
+
rxn:5:177185:223064:226583,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1ccc(CN2CCOCC2)s1,SHEJUABJKJWFKC-UHFFFAOYSA-N
|
| 86874 |
+
rxn:5:177185:225976:226583,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,DLNCQMXOIVHSLZ-UHFFFAOYSA-N
|
| 86875 |
+
rxn:5:177191:223002:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)cc4F)c3)c2F)CCC1,MULDZIQACAYHAB-UHFFFAOYSA-N
|
| 86876 |
+
rxn:5:177191:223004:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)c(F)c4)c3)c2)CCC1,RDDRWKJNBMVXLP-UHFFFAOYSA-N
|
| 86877 |
+
rxn:5:177191:223008:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCNCC5)ccc4F)c3)c(F)c2)CCC1,ORTIZSOEQPKVSH-UHFFFAOYSA-N
|
| 86878 |
+
rxn:5:177191:223008:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCNCC5)ccc4F)c3)c2)CCC1,YTBQFHNUAOAKOQ-UHFFFAOYSA-N
|
| 86879 |
+
rxn:5:177191:225601:223007,N#CC1(c2ccc(-c3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c(F)c2)CCC1,KMOHBFOOSQRQRP-UHFFFAOYSA-N
|
| 86880 |
+
rxn:5:177191:225601:223008,N#CC1(c2ccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c(F)c2)CCC1,NZGUIYKMNPNBBZ-UHFFFAOYSA-N
|
| 86881 |
+
rxn:5:177191:225602:223002,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(C5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2)CCC1,FDEDYXAXWLLNAK-UHFFFAOYSA-N
|
| 86882 |
+
rxn:5:177191:225602:223004,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(C5CCNCC5)c(F)c4)ccc3CC(=O)C3CC3)c2)CCC1,LFQBQKMTRHODBD-UHFFFAOYSA-N
|
| 86883 |
+
rxn:5:177191:225602:223007,N#CC1(c2ccc(F)c(-c3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c2)CCC1,FJASGOQSFHFQCD-UHFFFAOYSA-N
|
| 86884 |
+
rxn:5:177191:225602:223008,N#CC1(c2ccc(F)c(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c2)CCC1,NBGUQUOGGWPAAY-UHFFFAOYSA-N
|
| 86885 |
+
rxn:5:177373:227804:225674,O=[N+]([O-])c1cc(-c2cc(-c3cnc(C4CCCCC4)cc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,BQPSPKNYARENJM-UHFFFAOYSA-N
|
| 86886 |
+
rxn:5:177449:223061:225871,COc1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2cccc(N3C(=O)C=CC3=O)c2)cc1OC(C)C,XCMUHACIHRGPEC-UHFFFAOYSA-N
|
| 86887 |
+
rxn:5:177449:225653:225453,COc1cc(-c2ccc(N3CCCCC3C)nc2)c(-c2cccc(SC3CCCCC3)c2)cc1OC(C)C,LPMHIYFAELWHPT-UHFFFAOYSA-N
|
| 86888 |
+
rxn:5:177449:225871:223061,COc1cc(-c2cccc(N3C(=O)C=CC3=O)c2)c(-c2cc(C3CCNCC3)ncc2F)cc1OC(C)C,NTPSBVARDMFUHO-UHFFFAOYSA-N
|
| 86889 |
+
rxn:5:177730:225636:223062,CC1CCN(c2cc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(C(=O)OC(C)(C)C)c3)ccn2)CC1,FWZFTJOJRNCFOI-UHFFFAOYSA-N
|
| 86890 |
+
rxn:5:177733:225976:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,XQIXEHUHYWEIKK-UHFFFAOYSA-N
|
| 86891 |
+
rxn:5:177733:226663:223056,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccc(N3CCC(O)CC3)nc2)c1,XRFSRGJJFBEHRC-UHFFFAOYSA-N
|
| 86892 |
+
rxn:5:177734:226645:226661,Cc1cc(-c2ccnc(N3CCOCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,PNHJOQODAHHJGV-UHFFFAOYSA-N
|
| 86893 |
+
rxn:5:177734:226645:226662,Cc1cc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,FMWMZNZNMMLATO-UHFFFAOYSA-N
|
| 86894 |
+
rxn:5:177734:226649:226661,Cc1cc(-c2cccnc2N2CCOCC2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,AZBMCAGDXOGMBY-UHFFFAOYSA-N
|
| 86895 |
+
rxn:5:177734:226649:226662,Cc1cc(-c2cccnc2N2CCOCC2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C(=O)OC(C)C,VKAZYSZIBUPHAX-UHFFFAOYSA-N
|
| 86896 |
+
rxn:5:177734:226661:226649,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cccnc2N2CCOCC2)cc1C(=O)OC(C)C,POXDCKPSMCIMFJ-UHFFFAOYSA-N
|
| 86897 |
+
rxn:5:177735:225931:225925,Cc1cc(-c2cc(C(=O)OC(C)C)cc(C)c2-c2cc(S(=O)(=O)N(C)C)ccc2C)cc(S(=O)(=O)N(C)C)c1,KPIPWQYMKZEMQM-UHFFFAOYSA-N
|
| 86898 |
+
rxn:5:177736:223062:225631,CN1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3cnc(C4CCNCC4)cc3F)cc2)CC1,UEXSHALVWWVBHL-UHFFFAOYSA-N
|
| 86899 |
+
rxn:5:177736:225633:226663,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(N3CCCCCC3)nc2)c1,HJQFXJASUDTBGU-UHFFFAOYSA-N
|
| 86900 |
+
rxn:5:177736:226085:225514,CC(C)(C)OC(=O)c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc3c(c2)CCC(C)(C)O3)c1,MSDRUGJVKVGMPN-UHFFFAOYSA-N
|
| 86901 |
+
rxn:5:177736:226679:223061,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cnc(N3CCCC3)cc2F)c1,OKACMMJHIRIWFY-UHFFFAOYSA-N
|
| 86902 |
+
rxn:5:177737:226663:225982,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(N2CCSCC2)nc1,HYHUSSODTCIANG-UHFFFAOYSA-N
|
| 86903 |
+
rxn:5:177738:225453:226191,COc1cc(-c2cc(C3CCCC3)ccc2F)c(-c2cccc(SC3CCCCC3)c2)cc1OC1CCC1,MKDRPUDQJZKXDQ-UHFFFAOYSA-N
|
| 86904 |
+
rxn:5:177739:225982:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,WAKKCXQYJSDEGB-UHFFFAOYSA-N
|
| 86905 |
+
rxn:5:177739:226026:226589,CC(C)c1cnc(C(F)F)cc1-c1c(C(=O)OC(C)(C)C)cccc1-c1ccc(S(=O)(=O)N(C)C)c(F)c1,MHHKBLKGBOHXTF-UHFFFAOYSA-N
|
| 86906 |
+
rxn:5:177739:226679:223061,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cc(C2CCNCC2)ncc1F,RGYPCXLNMWCVKD-UHFFFAOYSA-N
|
| 86907 |
+
rxn:5:177850:225625:227078,CCOc1ccc(-c2cc(OC3CCCC3)ccc2F)c(C2OCCO2)c1-c1cc(OC)ccc1C1CC1,NLWMMVPICXNCAE-UHFFFAOYSA-N
|
| 86908 |
+
rxn:5:177891:228260:226414,CC(F)(F)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3=NCCCO3)cc2)c1,ZBABDEYXMCBKFW-UHFFFAOYSA-N
|
| 86909 |
+
rxn:5:177970:225446:226191,Cc1cc(OC2CCCC2)cc(-c2cc(OCC3CCCC3)cc(-c3cc(C4CCCC4)ccc3F)c2)c1,YQIUNAVJPYTMJO-UHFFFAOYSA-N
|
| 86910 |
+
rxn:5:177970:226041:226794,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1cc(OCC2CCCC2)cc(-c2cnc(N3CCSCC3)nc2)c1,PUSAGHARSJLZQQ-UHFFFAOYSA-N
|
| 86911 |
+
rxn:5:177970:226042:226794,O=[N+]([O-])c1ccc(-c2cc(OCC3CCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2)c(C(F)(F)F)c1,VFFDZPYMMFDSMG-UHFFFAOYSA-N
|
| 86912 |
+
rxn:5:177971:226464:225445,COc1ccc2c(c1-c1ccc(-c3ccccc3OC3CCCCC3)c(OCC3CCCC3)c1)OCCO2,OQCZNICSHUDGEK-UHFFFAOYSA-N
|
| 86913 |
+
rxn:5:177971:226794:226042,O=[N+]([O-])c1ccc(-c2ccc(-c3cnc(N4CCSCC4)nc3)cc2OCC2CCCC2)c(C(F)(F)F)c1,JGKHLIIQWKKERC-UHFFFAOYSA-N
|
| 86914 |
+
rxn:5:178117:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1OCC1CCOCC1,OBOZHBKFZGOOHO-UHFFFAOYSA-N
|
| 86915 |
+
rxn:5:178117:227803:223139,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3CCNCC3)nc2)c(OCC2CCOCC2)c1,CDCHWDANFUCMFC-UHFFFAOYSA-N
|
| 86916 |
+
rxn:5:178118:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1OCC1CCCCO1,VLYWVNXSHAPUSB-UHFFFAOYSA-N
|
| 86917 |
+
rxn:5:178118:227804:223061,O=[N+]([O-])c1cc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2OCC2CCCCO2)c([N+](=O)[O-])s1,PPJNNCQWWMBVCW-UHFFFAOYSA-N
|
| 86918 |
+
rxn:5:178119:226191:226144,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C3CCCC3)ccc2F)c1-c1ccc(C#C[Si](C)(C)C)cc1,LXRNUBJKPWSDAA-UHFFFAOYSA-N
|
| 86919 |
+
rxn:5:178121:226662:227710,CN1CCN(c2ccc(-c3c(OCC4CCOCC4)cccc3-c3ccc(OS(C)(=O)=O)cc3)s2)CC1,IXRCCECOSQUCTR-UHFFFAOYSA-N
|
| 86920 |
+
rxn:5:178122:225498:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,BSBDYGRFRBQGMU-UHFFFAOYSA-N
|
| 86921 |
+
rxn:5:178122:225499:227804,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,BEIQTULIHZSWSC-UHFFFAOYSA-N
|
| 86922 |
+
rxn:5:178122:225514:227107,Cc1cc(-c2cc(-c3cccc4c3OCC3(CC3)CO4)ccc2COC2CCCCO2)c(F)c(C2CC2)c1,HRUPHCWDADMGJS-UHFFFAOYSA-N
|
| 86923 |
+
rxn:5:178122:226190:227804,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCC4)cc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,HWIXIDMJSLAANC-UHFFFAOYSA-N
|
| 86924 |
+
rxn:5:178122:226191:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCC4)ccc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,QZKRDQJFFDHMHD-UHFFFAOYSA-N
|
| 86925 |
+
rxn:5:178122:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCOCC3)s2)ccc1COC1CCCCO1,JFSKSFXGGPPLPA-UHFFFAOYSA-N
|
| 86926 |
+
rxn:5:178224:225449:226464,COc1ccc2c(c1-c1cc(OCC3CCCCC3)cc(-c3cccc(OC4CCCCC4)c3)c1)OCCO2,DYSNFBWTZUYJEI-UHFFFAOYSA-N
|
| 86927 |
+
rxn:5:178225:225407:227054,COc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C3CCCCCC3)cc2)ccc1C1CC1,WTKHHZHKGAALJM-UHFFFAOYSA-N
|
| 86928 |
+
rxn:5:178225:226042:226794,O=[N+]([O-])c1ccc(-c2cccc(OCC3CCCCC3)c2-c2cnc(N3CCSCC3)nc2)c(C(F)(F)F)c1,LRPZKAFJYDALGG-UHFFFAOYSA-N
|
| 86929 |
+
rxn:5:178295:222981:227505,COC(=O)C1(c2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)ccc2-c2ccnc(NC3CCCCC3)c2)CCC(=O)CC1,AGXLAQALSWLADV-CAPFRKAQSA-N
|
| 86930 |
+
rxn:5:178295:223002:228750,COC(=O)C1(c2cc(-c3cncc(C(C)=O)c3)ccc2-c2ccc(C3CCNCC3)cc2F)CCC(=O)CC1,JJBMOUFTWJOCJU-UHFFFAOYSA-N
|
| 86931 |
+
rxn:5:178295:223008:228750,COC(=O)C1(c2cc(-c3cncc(C(C)=O)c3)ccc2-c2cc(C3CCNCC3)ccc2F)CCC(=O)CC1,MIUFCDMNWDJGAO-UHFFFAOYSA-N
|
| 86932 |
+
rxn:5:178295:223062:228759,COC(=O)C1(c2cc(-c3ccc(C(C)=O)nc3)ccc2-c2cnc(C3CCNCC3)cc2F)CCC(=O)CC1,ZTJXAXQBPBXLFE-UHFFFAOYSA-N
|
| 86933 |
+
rxn:5:178295:223062:229087,COC(=O)C1(c2cc(-c3sccc3C(C)=O)ccc2-c2cnc(C3CCNCC3)cc2F)CCC(=O)CC1,OMOUDOJFYVBFIT-UHFFFAOYSA-N
|
| 86934 |
+
rxn:5:178295:223064:228759,COC(=O)C1(c2cc(-c3ccc(C(C)=O)nc3)ccc2-c2ccc(C3CCNCC3)nc2F)CCC(=O)CC1,PRHZSOFCDCRNJZ-UHFFFAOYSA-N
|
| 86935 |
+
rxn:5:178295:223064:229087,COC(=O)C1(c2cc(-c3sccc3C(C)=O)ccc2-c2ccc(C3CCNCC3)nc2F)CCC(=O)CC1,SHNOWXHLSVNPLA-UHFFFAOYSA-N
|
| 86936 |
+
rxn:5:178295:223139:228705,COC(=O)C1(c2cc(-c3cccnc3N(C)C)ccc2-c2ccc(C3CCNCC3)nc2)CCC(=O)CC1,XTHVGJRPGASKAT-UHFFFAOYSA-N
|
| 86937 |
+
rxn:5:178295:223190:228415,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(-c2cc(F)ccc2C(F)F)cc1C1(C(=O)OC)CCC(=O)CC1,PAHRZLAHFJGBKW-UHFFFAOYSA-N
|
| 86938 |
+
rxn:5:178295:223345:227284,COC(=O)C1(c2cc(-c3cc(C#N)ncc3C3CC3)ccc2-c2cccc3c2NC(=O)C3)CCC(=O)CC1,XFSQWYSVOIYAKR-UHFFFAOYSA-N
|
| 86939 |
+
rxn:5:178295:223377:227284,COC(=O)C1(c2cc(-c3cc(C#N)ncc3C3CC3)ccc2-c2cnc3c(c2)CC(=O)N3)CCC(=O)CC1,UVSLRVIMGJQDTA-UHFFFAOYSA-N
|
| 86940 |
+
rxn:5:178295:225448:228606,CCc1ccc(F)c(-c2ccc(-c3cc(C)ccc3OC3CCCC3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KFXFULJDKGWIMI-UHFFFAOYSA-N
|
| 86941 |
+
rxn:5:178295:225498:225417,CCOc1ccc2ccccc2c1-c1ccc(-c2cc(C3CCCCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,WUNBRIKWXTTXJO-UHFFFAOYSA-N
|
| 86942 |
+
rxn:5:178295:225507:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JHPDWSLKGKUDBA-UHFFFAOYSA-N
|
| 86943 |
+
rxn:5:178295:225597:227661,COC(=O)C1(c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-c2ccc(OC3CCCCC3)nc2)CCC(=O)CC1,SXXAHONPIILTJM-UHFFFAOYSA-N
|
| 86944 |
+
rxn:5:178295:226067:227942,CCc1ccc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,SBSQLDFVSPORRC-UHFFFAOYSA-N
|
| 86945 |
+
rxn:5:178295:226068:227667,COC(=O)C1(c2cc(-c3c(F)ccc(C(C)=O)c3F)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,PJHLYNKYEXYIAY-UHFFFAOYSA-N
|
| 86946 |
+
rxn:5:178295:226191:228567,CCC(C)c1sccc1-c1ccc(-c2cc(C3CCCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,NUKSUTOCDPSZGQ-UHFFFAOYSA-N
|
| 86947 |
+
rxn:5:178295:226322:228003,COC(=O)C1(c2cc(-c3c(C)cc(SC)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2C)CCC(=O)CC1,WKZMAXSAONWRCD-UHFFFAOYSA-N
|
| 86948 |
+
rxn:5:178295:226331:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C4(C#N)CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ROKRZOYJBMPLFA-UHFFFAOYSA-N
|
| 86949 |
+
rxn:5:178295:226432:227935,CCc1cc(-c2ccc(-c3ccc(C4CCCC4)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,PQWNDYGCLOGTBN-UHFFFAOYSA-N
|
| 86950 |
+
rxn:5:178295:226579:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(F)cc(C(=O)N(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XZFLBWKPIQVOHH-UHFFFAOYSA-N
|
| 86951 |
+
rxn:5:178295:226581:228515,CCc1cccc(C)c1-c1ccc(-c2cccc(C(=O)N(C)C)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,SJRCNEOFLRJVQL-UHFFFAOYSA-N
|
| 86952 |
+
rxn:5:178295:226601:227813,CCc1cccc(CC)c1-c1ccc(-c2c(OC(C)C)ccc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JHYPKDZPKYJMSW-UHFFFAOYSA-N
|
| 86953 |
+
rxn:5:178295:226710:227932,COCc1ccc(C)c(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JBSONWKZLCLRPT-UHFFFAOYSA-N
|
| 86954 |
+
rxn:5:178295:226710:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZAWKFENSWASEBQ-UHFFFAOYSA-N
|
| 86955 |
+
rxn:5:178295:226768:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc(SC)c(C(F)(F)F)c2)CCC(=O)CC1,LXJNWDPAHSMBNY-UHFFFAOYSA-N
|
| 86956 |
+
rxn:5:178295:226778:223400,CNCc1cccc(-c2ccc(-c3cc(OC)c(OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SRTFHWZOFQYBJD-UHFFFAOYSA-N
|
| 86957 |
+
rxn:5:178295:226849:225581,COC(=O)C1(c2cc(-c3ccc(CN4CCOCC4)cc3)ccc2-c2ccnc(OC)c2C(F)(F)F)CCC(=O)CC1,IIEJPQUTZRVNMI-UHFFFAOYSA-N
|
| 86958 |
+
rxn:5:178295:226851:227915,CCOc1ccc(-c2ccc(-c3cc(OC)ncc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,TWBRNLSFCNHTGO-UHFFFAOYSA-N
|
| 86959 |
+
rxn:5:178295:226875:228184,COC(=O)C1(c2cc(-c3ccc(OC)c(SC)c3)ccc2-c2cc(F)c(OC(F)F)cc2F)CCC(=O)CC1,WTFQOJZGZVXQTO-UHFFFAOYSA-N
|
| 86960 |
+
rxn:5:178295:226924:227816,CCCc1ccc(-c2ccc(-c3cc(C)cc(C4CC4)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ULDHSRLZKLOEEF-UHFFFAOYSA-N
|
| 86961 |
+
rxn:5:178295:227068:226913,CCc1cc(-c2ccc(-c3ccc(CC(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(C2CC2)c1,YPSPKARQJCCVHD-UHFFFAOYSA-N
|
| 86962 |
+
rxn:5:178295:227071:227124,COCc1cc(C)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,MUZLJNDDZNBDBI-UHFFFAOYSA-N
|
| 86963 |
+
rxn:5:178295:227071:228566,COCc1cc(C)c(-c2ccc(-c3ccsc3CC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,VKILHVZRANIPCV-UHFFFAOYSA-N
|
| 86964 |
+
rxn:5:178295:227077:226190,CCC(C)c1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,YMCSCVYCYUIIMD-UHFFFAOYSA-N
|
| 86965 |
+
rxn:5:178295:227100:227831,CCc1c(C)cc(-c2ccc(-c3c(C)cc(C4CC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,PPVSZMXZISREGX-UHFFFAOYSA-N
|
| 86966 |
+
rxn:5:178295:227117:227049,CCOc1c(C)cc(-c2ccc(-c3cc(C4CC4)cc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,NKUMPSDYHRBWMM-UHFFFAOYSA-N
|
| 86967 |
+
rxn:5:178295:227139:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cc3c(C#N)cccc3s2)CCC(=O)CC1,GMWOWRHNSPEELN-UHFFFAOYSA-N
|
| 86968 |
+
rxn:5:178295:227297:227810,CCC(C)c1ccc(-c2ccc(-c3cc(CN(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,FMFHZDRURSUSDK-UHFFFAOYSA-N
|
| 86969 |
+
rxn:5:178295:227299:223138,COC(=O)C1(c2cc(-c3ccnc(C4CCNCC4)c3)ccc2-c2cc(F)cc(CN(C)C)c2)CCC(=O)CC1,BQEYIDFLZJQJDY-UHFFFAOYSA-N
|
| 86970 |
+
rxn:5:178295:227309:227812,CCC(C)c1cc(-c2ccc(-c3cccc(CC(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,SSHVHCZZXINGNL-UHFFFAOYSA-N
|
| 86971 |
+
rxn:5:178295:227312:226710,CCC(C)c1ccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,NGYJQTUBMZODAY-UHFFFAOYSA-N
|
| 86972 |
+
rxn:5:178295:227314:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(CC(C)C)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SEAQDDCQOJSYCZ-UHFFFAOYSA-N
|
| 86973 |
+
rxn:5:178295:227315:223345,COC(=O)C1(c2cc(-c3cccc4c3NC(=O)C4)ccc2-c2cnc(CC(C)C)cc2F)CCC(=O)CC1,YVCYIHXZFVXAFL-UHFFFAOYSA-N
|
| 86974 |
+
rxn:5:178295:227329:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,LEIAIJXILFOZKZ-UHFFFAOYSA-N
|
| 86975 |
+
rxn:5:178295:227346:227995,CCCc1cc(F)c(-c2ccc(-c3cc(C)cc(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,PUJUDRVWLXJWGG-UHFFFAOYSA-N
|
| 86976 |
+
rxn:5:178295:227346:228148,CCCc1cc(F)c(-c2ccc(-c3cccc(OC)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,ZGVALYLEOXGFKN-UHFFFAOYSA-N
|
| 86977 |
+
rxn:5:178295:227346:228276,CCCc1cc(F)c(-c2ccc(-c3ccc(F)c(C)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,KQHFGDUSBXKUTD-UHFFFAOYSA-N
|
| 86978 |
+
rxn:5:178295:227362:226914,CCOc1cc(C)cc(F)c1-c1ccc(-c2ccc(CC(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,CKJHKBUBWKPBQG-UHFFFAOYSA-N
|
| 86979 |
+
rxn:5:178295:227362:227312,CCOc1cc(C)cc(F)c1-c1ccc(-c2ccc(C(C)CC)nc2F)cc1C1(C(=O)OC)CCC(=O)CC1,YQRRWDZVZIDJLK-UHFFFAOYSA-N
|
| 86980 |
+
rxn:5:178295:227362:227831,CCOc1cc(C)cc(F)c1-c1ccc(-c2cc(C)c(CC)c(C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,REPZNDJIXBXQQT-UHFFFAOYSA-N
|
| 86981 |
+
rxn:5:178295:227364:227989,CC#Cc1ccc(F)c(-c2ccc(-c3ccc(OC)c(C)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GVHRDZBIHBKDCP-UHFFFAOYSA-N
|
| 86982 |
+
rxn:5:178295:227419:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccc(C3CCC3)nc2F)CCC(=O)CC1,HWVVPXQJKIELAC-UHFFFAOYSA-N
|
| 86983 |
+
rxn:5:178295:227530:228401,COC(=O)c1ccc(F)c(-c2ccc(-c3c(F)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,CMKKVBQDIVOBQL-UHFFFAOYSA-N
|
| 86984 |
+
rxn:5:178295:227534:226589,CCOc1cc(F)c(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,GVXWHRZHCCANMS-UHFFFAOYSA-N
|
| 86985 |
+
rxn:5:178295:227562:228165,CCOc1ccc(F)c(-c2ccc(-c3c(F)ccc(OC)c3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QHOPSWVGGBUSBO-UHFFFAOYSA-N
|
| 86986 |
+
rxn:5:178295:227591:227053,COC(=O)C1(c2cc(-c3cccc(OC(C)(C)C)c3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,LFCUXLHIIHXYQL-UHFFFAOYSA-N
|
| 86987 |
+
rxn:5:178295:227659:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2cccc(C(F)(F)F)c2C)CCC(=O)CC1,SGWQRBNHZIWGJD-UHFFFAOYSA-N
|
| 86988 |
+
rxn:5:178295:227662:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C)cc2C(F)(F)F)CCC(=O)CC1,DMBSOHUCGFJRMB-UHFFFAOYSA-N
|
| 86989 |
+
rxn:5:178295:227668:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(F)c(OC)c(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,DARXWYWMLGLZCA-UHFFFAOYSA-N
|
| 86990 |
+
rxn:5:178295:227782:228146,CCc1cncc(-c2ccc(-c3ccc(C(F)(F)F)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,IQABPFQGAWYOAL-UHFFFAOYSA-N
|
| 86991 |
+
rxn:5:178295:227808:226761,COC(=O)C1(c2cc(-c3ccc(SC)cc3C(F)(F)F)ccc2-c2ccc3c(c2)CCCC3)CCC(=O)CC1,FHXIDNQOVBQIAX-UHFFFAOYSA-N
|
| 86992 |
+
rxn:5:178295:227813:227569,CCc1cccc(CC)c1-c1ccc(-c2c(OC)ccc(F)c2OC)cc1C1(C(=O)OC)CCC(=O)CC1,IBICVNGARYGHBC-UHFFFAOYSA-N
|
| 86993 |
+
rxn:5:178295:227814:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(CC4CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,BIZGZVOICKOXOJ-UHFFFAOYSA-N
|
| 86994 |
+
rxn:5:178295:227818:227095,CCC(C)c1cccc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NFVDYEGCOFXEJQ-UHFFFAOYSA-N
|
| 86995 |
+
rxn:5:178295:227821:226603,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)cc1C1(C(=O)OC)CCC(=O)CC1,WTWDPSBAKFDTQM-UHFFFAOYSA-N
|
| 86996 |
+
rxn:5:178295:227831:227314,CCc1c(C)cc(-c2ccc(-c3ccc(CC(C)C)nc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1C,MGSXPHYWJZAPBB-UHFFFAOYSA-N
|
| 86997 |
+
rxn:5:178295:227833:226749,CCc1cc(C)cc(C)c1-c1ccc(-c2c(OC)cccc2C(F)(F)F)cc1C1(C(=O)OC)CCC(=O)CC1,FONUASSMBGREFJ-UHFFFAOYSA-N
|
| 86998 |
+
rxn:5:178295:227837:227071,COCc1cc(C)c(-c2ccc(-c3cc(C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,FIJJSWMDPKPHQU-UHFFFAOYSA-N
|
| 86999 |
+
rxn:5:178295:228003:227346,CCCc1cc(F)c(-c2ccc(-c3c(C)cc(SC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,BSERDIRWRLHJLV-UHFFFAOYSA-N
|
| 87000 |
+
rxn:5:178295:228003:227756,COC(=O)C1(c2cc(-c3c(F)cccc3C(F)(F)F)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,YXFIVZYKZQGDHD-UHFFFAOYSA-N
|
| 87001 |
+
rxn:5:178295:228005:226325,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C#N)cc3F)ccc2-c2cc(C)c(SC)cc2C)CCC(=O)CC1,QZXPHEFXPGNWGM-UHFFFAOYSA-N
|
| 87002 |
+
rxn:5:178295:228062:226069,COC(=O)C1(c2cc(-c3cccc(C4CCCCC4)c3)ccc2-c2cncc3c2CCCO3)CCC(=O)CC1,RRDBDBCTGVUIAJ-UHFFFAOYSA-N
|
| 87003 |
+
rxn:5:178295:228097:227432,COC(=O)C1(c2cc(-c3ccc(C4COC4)nc3C)ccc2-c2cncc(CN(C)C)c2)CCC(=O)CC1,WGUGZNJFCJNDQM-UHFFFAOYSA-N
|
| 87004 |
+
rxn:5:178295:228141:226599,CCCc1cc(F)c(-c2ccc(-c3cc(F)c(OCC)c(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,ZYBKHMQFGLNTQC-UHFFFAOYSA-N
|
| 87005 |
+
rxn:5:178295:228141:227301,CCCc1cc(F)c(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,RQTHXOVVEQYKIV-UHFFFAOYSA-N
|
| 87006 |
+
rxn:5:178295:228178:225446,COCc1ccc(F)c(-c2ccc(-c3cc(C)cc(OC4CCCC4)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BHFXPARPGXXFAQ-UHFFFAOYSA-N
|
| 87007 |
+
rxn:5:178295:228178:227548,CCOc1ccc(F)c(F)c1-c1ccc(-c2cc(COC)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KPKPTMHGWQSYBZ-UHFFFAOYSA-N
|
| 87008 |
+
rxn:5:178295:228252:227573,CCOc1cc(-c2ccc(-c3c(OC)ccc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc(F)c1F,GLEKAWHCFGNNGG-UHFFFAOYSA-N
|
| 87009 |
+
rxn:5:178295:228261:226709,COC(=O)C1(c2cc(-c3c(C)cc(C(F)(F)F)cc3C)ccc2-c2c(SC)ccc(F)c2C)CCC(=O)CC1,AJJUEZCZZJADLE-UHFFFAOYSA-N
|
| 87010 |
+
rxn:5:178295:228267:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2c(F)ccc(C)c2OC)CCC(=O)CC1,PCWYKGUPYPAMSE-UHFFFAOYSA-N
|
| 87011 |
+
rxn:5:178295:228268:227078,COC(=O)C1(c2cc(-c3cc(OC)ccc3C3CC3)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,NSBLBURHTRJBHG-UHFFFAOYSA-N
|
| 87012 |
+
rxn:5:178295:228279:226038,CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,XATDOOJGHRQMTO-UHFFFAOYSA-N
|
| 87013 |
+
rxn:5:178295:228282:223183,CNS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3C(C)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,CIACNXQADALWGM-UHFFFAOYSA-N
|
| 87014 |
+
rxn:5:178295:228401:227054,COC(=O)C1(c2cc(-c3ccc(C4CC4)c(OC)c3)ccc2-c2c(F)ccc(F)c2OC)CCC(=O)CC1,VGUCKENPHZTXFF-UHFFFAOYSA-N
|
| 87015 |
+
rxn:5:178295:228564:226594,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(OC(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,XHQOCHGQEMZJSJ-UHFFFAOYSA-N
|
| 87016 |
+
rxn:5:178295:228566:227362,CCOc1cc(C)cc(F)c1-c1ccc(-c2ccsc2CC(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,PXCHGFSRPKBYCN-UHFFFAOYSA-N
|
| 87017 |
+
rxn:5:178295:228753:223139,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)nc3)ccc2-c2cccc(F)c2C#N)CCC(=O)CC1,QRKKSEATBIBFMG-UHFFFAOYSA-N
|
| 87018 |
+
rxn:5:178295:228759:223130,COC(=O)C1(c2cc(-c3ccc(CN4CC(O)C4)cc3)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,HUUADZKEUTVDMU-UHFFFAOYSA-N
|
| 87019 |
+
rxn:5:178313:225450:226959,CC1(C)Cc2cc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3-c3ccc(C(=O)C4CCCC4)cc3)ccc2O1,FHSKELHMDCTNSW-UHFFFAOYSA-N
|
| 87020 |
+
rxn:5:178313:226069:225625,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2cc(OC3CCCC3)ccc2F)c1,WWRCBVSNJSJBIJ-UHFFFAOYSA-N
|
| 87021 |
+
rxn:5:178313:226069:226432,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2ccc(C3CCCC3)nc2F)c1,TXAGQLHCLXSIPA-UHFFFAOYSA-N
|
| 87022 |
+
rxn:5:178313:227057:225625,COc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(OC3CCCC3)ccc2F)c1C1CC1,NFRIHIDMZOYLIN-UHFFFAOYSA-N
|
| 87023 |
+
rxn:5:178314:225394:227120,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc(C2CCC2)cc1F,WMSQXFFYEDZBDJ-UHFFFAOYSA-N
|
| 87024 |
+
rxn:5:178314:225671:227113,Cc1cc(F)c(C2CC2)cc1-c1ccc(-c2cc(C3CCCCC3)ncc2F)cc1O[Si](C)(C)C(C)(C)C,NQNTYTMSMDZSFK-UHFFFAOYSA-N
|
| 87025 |
+
rxn:5:178314:226589:225498,CC(C)c1cnc(C(F)F)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)c(O[Si](C)(C)C(C)(C)C)c1,ROHBKJXQRJUGDF-UHFFFAOYSA-N
|
| 87026 |
+
rxn:5:178315:223189:226762,CSc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(NS(C)(=O)=O)cc3F)c2)cc(C(F)(F)F)c1,UWBFBYHSEPQKPH-UHFFFAOYSA-N
|
| 87027 |
+
rxn:5:178315:225394:227102,CC(C)(C)c1ccc(F)c(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,XYZZCLHJHDAJNK-UHFFFAOYSA-N
|
| 87028 |
+
rxn:5:178315:225925:227052,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(SC(C)(C)C)cc2)c1,PFXAWLCZZKTHSK-UHFFFAOYSA-N
|
| 87029 |
+
rxn:5:178315:226146:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2cc(C3CCCC3)ccc2F)c1,MDNZVRQOLYNYQL-UHFFFAOYSA-N
|
| 87030 |
+
rxn:5:178315:228876:225607,CC(c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cnn(C4CC4F)c3)c2)s1)N1CCCCC1,VINODTSVIVOWNE-UHFFFAOYSA-N
|
| 87031 |
+
rxn:5:178353:226582:225395,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C(=O)N(C)C)cc3F)cc2C)ccc1-c1cc(C2CC2)cc(C(C)(C)C)c1,GYTMCGDXUBDHIX-UHFFFAOYSA-N
|
| 87032 |
+
rxn:5:178368:223203:225514,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc4c3OCC3(CC3)CO4)c(C)c2)c(C)cc1-c1cccc(C2(O)CCC2)c1,NWOFSEXMLLUHMR-UHFFFAOYSA-N
|
| 87033 |
+
rxn:5:178368:225440:226980,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc4c3C(=O)CCC4)c(C)c2)c(C)cc1-c1ccc(C2(C#N)CCCC2)cc1,PTPONNRNLZRUBN-UHFFFAOYSA-N
|
| 87034 |
+
rxn:5:178368:225450:226067,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4=CCCCC4)cc3)c(C)c2)c(C)cc1-c1ccc(C(=O)C2CCCC2)cc1,XTXPNJUFAYWFAH-UHFFFAOYSA-N
|
| 87035 |
+
rxn:5:178368:226038:227062,CCOc1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(F)c(C(F)(F)F)cc4OC)cc3C)cc2C)c(C)c1C,LNLJNSXBMFQLKJ-UHFFFAOYSA-N
|
| 87036 |
+
rxn:5:178368:226045:227724,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cc(OC(F)F)ccc3F)c(C)c2)c(C)cc1-c1ccc(C(F)(F)C(F)(F)F)nc1,WDMQUTODQIQZRA-UHFFFAOYSA-N
|
| 87037 |
+
rxn:5:178368:227065:225407,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(C4CCCCCC4)cc3)c(C)c2)c(C)cc1-c1cccc(C(=O)C(C)C)c1,HBILETWKNSKVBZ-UHFFFAOYSA-N
|
| 87038 |
+
rxn:5:178466:223063:223061,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,XLTSBOFXYMEKMR-UHFFFAOYSA-N
|
| 87039 |
+
rxn:5:178466:223064:225784,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,KGRMQPGJDVYEEW-UHFFFAOYSA-N
|
| 87040 |
+
rxn:5:178466:225982:225655,CC1CCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cnc(N6CCOCC6)cc5F)ccc34)c2)CC1,ZWQJOWFEZAMGMB-UHFFFAOYSA-N
|
| 87041 |
+
rxn:5:178467:222980:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,JXAVYKXMYDUIKU-UHFFFAOYSA-N
|
| 87042 |
+
rxn:5:178467:222989:223203,CCOC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,AUYSNDMTRMDEIA-UHFFFAOYSA-N
|
| 87043 |
+
rxn:5:178467:223016:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,LBOWRZREPNMTTE-UHFFFAOYSA-N
|
| 87044 |
+
rxn:5:178467:223063:228317,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)OC)nc3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,AZOHEGDHGSQRAS-UHFFFAOYSA-N
|
| 87045 |
+
rxn:5:178467:223064:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,UWUXFJRZKWAVLZ-UHFFFAOYSA-N
|
| 87046 |
+
rxn:5:178467:223135:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cccnc3C3CCCNC3)c2OC1,IVOAJNPOMWZWKT-UHFFFAOYSA-N
|
| 87047 |
+
rxn:5:178467:223137:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cncc(C4CCCNC4)c3)c2OC1,BFIQUBRLHZANLA-UHFFFAOYSA-N
|
| 87048 |
+
rxn:5:178467:223138:223269,CCOC(=O)C1=Cc2cc(-c3ccc(NC(C)=O)c(F)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,ZCNUVXJUVLNBNJ-UHFFFAOYSA-N
|
| 87049 |
+
rxn:5:178467:223139:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,SAMIRFICWHRLAH-UHFFFAOYSA-N
|
| 87050 |
+
rxn:5:178467:223139:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,MUUNEJGFTACDSH-UHFFFAOYSA-N
|
| 87051 |
+
rxn:5:178467:223139:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,WCQJRWNRLDRFEV-UHFFFAOYSA-N
|
| 87052 |
+
rxn:5:178467:223140:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KCLMYFFBRUZMLF-UHFFFAOYSA-N
|
| 87053 |
+
rxn:5:178467:223269:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(NC(C)=O)c(F)c3)c2OC1,XSJCQEYRBSMPPR-UHFFFAOYSA-N
|
| 87054 |
+
rxn:5:178467:223435:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccc(C(=O)OC)[nH]3)c2OC1,WDFSNLFIDCEXNU-UHFFFAOYSA-N
|
| 87055 |
+
rxn:5:178467:225601:227377,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCC3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,HAJDAQCTBWPHEA-UHFFFAOYSA-N
|
| 87056 |
+
rxn:5:178467:225636:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,IEXQKVNNURSBLT-UHFFFAOYSA-N
|
| 87057 |
+
rxn:5:178467:225655:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,HZLWMQNUTWWFMR-UHFFFAOYSA-N
|
| 87058 |
+
rxn:5:178467:225784:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,NQADFKFJJHEMML-UHFFFAOYSA-N
|
| 87059 |
+
rxn:5:178467:225784:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,OYZVUQRVLZVJGM-UHFFFAOYSA-N
|
| 87060 |
+
rxn:5:178467:225794:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,MFJITWZEUCHUFJ-UHFFFAOYSA-N
|
| 87061 |
+
rxn:5:178467:225976:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,XPTARJIBDDIFJG-UHFFFAOYSA-N
|
| 87062 |
+
rxn:5:178467:225976:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,QFXACFKNXILFNM-UHFFFAOYSA-N
|
| 87063 |
+
rxn:5:178467:225982:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,LRZZCMTUEZSDBE-UHFFFAOYSA-N
|
| 87064 |
+
rxn:5:178467:226794:223269,CCOC(=O)C1=Cc2cc(-c3ccc(NC(C)=O)c(F)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,LYCIDNTYMOCQCR-UHFFFAOYSA-N
|
| 87065 |
+
rxn:5:178467:226794:226581,CCOC(=O)C1=Cc2cc(-c3cccc(C(=O)N(C)C)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,QJVLJZGPUHGIEG-UHFFFAOYSA-N
|
| 87066 |
+
rxn:5:178467:227055:225498,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3ccc(OC)c(C4CC4)c3)c2OC1,DGIMXJIMUMPOBX-UHFFFAOYSA-N
|
| 87067 |
+
rxn:5:178467:227379:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cccnc3N3CCCC3)c2OC1,BSZSOVYKROALTN-UHFFFAOYSA-N
|
| 87068 |
+
rxn:5:178467:227387:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,CBFXQLCADAASKB-UHFFFAOYSA-N
|
| 87069 |
+
rxn:5:178467:227701:226645,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,IKDHTCWAEBOZKI-UHFFFAOYSA-N
|
| 87070 |
+
rxn:5:178467:227703:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,PLPNDNLQFXUXOU-UHFFFAOYSA-N
|
| 87071 |
+
rxn:5:178467:227703:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,AFMJDHVDQIYLBJ-UHFFFAOYSA-N
|
| 87072 |
+
rxn:5:178467:227968:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnccc3C3CCC3)c2OC1,RGKJGHGYSYHODO-UHFFFAOYSA-N
|
| 87073 |
+
rxn:5:178467:228317:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(C(=O)OC)nc3)c2OC1,QZACEQCHCJJQIL-UHFFFAOYSA-N
|
| 87074 |
+
rxn:5:178467:228321:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,CFNKRZMEPKLUIM-UHFFFAOYSA-N
|
| 87075 |
+
rxn:5:178467:228457:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,CFRCEIDFHXZDRB-UHFFFAOYSA-N
|
| 87076 |
+
rxn:5:178467:228457:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnc(C(=O)OC)nc3)c2OC1,DUERGGMWYZDYQJ-UHFFFAOYSA-N
|
| 87077 |
+
rxn:5:178467:228457:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cnc(C(=O)OC)nc3)c2OC1,JFWGNLHSCUOFOW-UHFFFAOYSA-N
|
| 87078 |
+
rxn:5:178467:228692:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccc(CN(C)C)s3)c2OC1,QSAAFVMQQMDNRZ-UHFFFAOYSA-N
|
| 87079 |
+
rxn:5:179629:225805:227449,COc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(C2CCOCC2)s1,KPSKDKPBIWAMMZ-UHFFFAOYSA-N
|
| 87080 |
+
rxn:5:179629:226583:226583,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,HCBZAQUPUFLVIE-UHFFFAOYSA-N
|
| 87081 |
+
rxn:5:179629:227449:225805,COc1ccc(-c2ccc(C3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCOCC2)s1,BTVHWONQWNOCSJ-UHFFFAOYSA-N
|
| 87082 |
+
rxn:5:180021:223063:227803,COc1c(-c2cc(F)nc(C3CCNCC3)c2)cc(C2OCCO2)cc1-c1ccnn1S(=O)(=O)N(C)C,IHXRPOYHBFXNBN-UHFFFAOYSA-N
|
| 87083 |
+
rxn:5:180022:226182:226898,COc1c(-c2cn(S(=O)(=O)N(C)C)nc2C)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,CRSCNCXIDVUCDA-UHFFFAOYSA-N
|
| 87084 |
+
rxn:5:180092:225982:225976,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCOCC3)cc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,VRXKFNSZZDWWIY-UHFFFAOYSA-N
|
| 87085 |
+
rxn:5:180297:226745:226437,CCc1ncc(C(F)(F)F)cc1-c1cc(OC)c(-c2cc(C3CCCC3)ncc2F)cc1C1(C)OCCO1,LWUJJZOOQMQLEB-UHFFFAOYSA-N
|
| 87086 |
+
rxn:5:180402:222990:222415,NS(=O)(=O)c1cc(-c2cc(-c3ccc(N4CCC(O)CC4)cc3)ccc2C(=O)C2CCCCC2)ccc1F,SJRCRGPTQBIFHA-UHFFFAOYSA-N
|
| 87087 |
+
rxn:5:180402:225805:227299,CC(c1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cc(F)cc(CN(C)C)c3)c2)s1)N1CCOCC1,QDCHRHKCWCNDMF-UHFFFAOYSA-N
|
| 87088 |
+
rxn:5:180421:226041:226663,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCSCC2)nc1,FCCVSGDGSAVYDF-UHFFFAOYSA-N
|
| 87089 |
+
rxn:5:180422:223062:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(CC2CCCCC2)ccc1-c1cnc(C2CCNCC2)cc1F,VLBMHOJMHNRMTE-UHFFFAOYSA-N
|
| 87090 |
+
rxn:5:180422:226041:226663,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(N2CCSCC2)nc1,LIGWOGPAYLXQES-UHFFFAOYSA-N
|
| 87091 |
+
rxn:5:180602:222983:223139,COC(=O)C1Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(CN4CCC(O)C4)c3)c2O1,JXVLVZMJRKADBW-UHFFFAOYSA-N
|
| 87092 |
+
rxn:5:180602:223138:222984,COC(=O)C1Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2O1,APQNBGMQGOJZLF-UHFFFAOYSA-N
|
| 87093 |
+
rxn:5:180602:223139:222984,COC(=O)C1Cc2cc(-c3ccc(CN4CCC(O)C4)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2O1,VMJPATHHEVXNMR-UHFFFAOYSA-N
|
| 87094 |
+
rxn:5:180602:223294:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2O1,HCFLQGKKMGPUJT-UHFFFAOYSA-N
|
| 87095 |
+
rxn:5:180662:222959:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CCNCC4)c(C)c3)c2OC1,BBPBPVYYHLHPNP-UHFFFAOYSA-N
|
| 87096 |
+
rxn:5:180662:222980:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,FGCPEMGLRAKNHZ-UHFFFAOYSA-N
|
| 87097 |
+
rxn:5:180662:222987:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,PHVYNNXGNWWSOZ-SDNWHVSQSA-N
|
| 87098 |
+
rxn:5:180662:222988:227292,COC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,BGNDPWCQJONIIA-UHFFFAOYSA-N
|
| 87099 |
+
rxn:5:180662:223010:222980,COC(=O)C1=Cc2cc(-c3ccc(CN4CCNCC4)cc3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,OTTCDPLOCQQPTN-UHFFFAOYSA-N
|
| 87100 |
+
rxn:5:180662:223064:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,TZLJTXXKKGFMCH-UHFFFAOYSA-N
|
| 87101 |
+
rxn:5:180662:223064:223203,COC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,YXPKYIIDHQZOBN-UHFFFAOYSA-N
|
| 87102 |
+
rxn:5:180662:223130:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(CN4CC(O)C4)cc3)c2OC1,XYHBGWBJIFLSJP-UHFFFAOYSA-N
|
| 87103 |
+
rxn:5:180662:223138:226731,COC(=O)C1=Cc2cc(-c3ccccc3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,HMTPXEKQZMYAOA-UHFFFAOYSA-N
|
| 87104 |
+
rxn:5:180662:223138:226733,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,HRGAJWLNSMHDCS-UHFFFAOYSA-N
|
| 87105 |
+
rxn:5:180662:223138:226734,COC(=O)C1=Cc2cc(-c3cccc(S(=O)(=O)N(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,MBLSQWBQVSLFCG-UHFFFAOYSA-N
|
| 87106 |
+
rxn:5:180662:223138:227768,COC(=O)C1=Cc2cc(-c3cccn3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CWDUPLKSMONDMZ-UHFFFAOYSA-N
|
| 87107 |
+
rxn:5:180662:223139:226734,COC(=O)C1=Cc2cc(-c3cccc(S(=O)(=O)N(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,ACJUWOULHXFVSX-UHFFFAOYSA-N
|
| 87108 |
+
rxn:5:180662:223202:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,DVEWTNSAZHOSPB-UHFFFAOYSA-N
|
| 87109 |
+
rxn:5:180662:223202:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,QSUYSWDRVLQDEF-UHFFFAOYSA-N
|
| 87110 |
+
rxn:5:180662:223203:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,FZVGTRMYZLRDCA-UHFFFAOYSA-N
|
| 87111 |
+
rxn:5:180662:223203:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,YLQXFVFFHWQTAY-UHFFFAOYSA-N
|
| 87112 |
+
rxn:5:180662:223281:223002,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)cc3F)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,NSGWSHOFYXCESY-UHFFFAOYSA-N
|
| 87113 |
+
rxn:5:180662:223281:225587,COC(=O)C1=Cc2cc(-c3cccc(CN4CCOCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,DMYCBNJQNMOBKZ-UHFFFAOYSA-N
|
| 87114 |
+
rxn:5:180662:223377:223054,COC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cnc4c(c3)CC(=O)N4)c2OC1,PEYDGSABUUKRPC-UHFFFAOYSA-N
|
| 87115 |
+
rxn:5:180662:225395:223242,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cc(C4CC4)cc(C(C)(C)C)c3)c2OC1,AMRIIFWGYNULKC-UHFFFAOYSA-N
|
| 87116 |
+
rxn:5:180662:225581:223281,COC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(CN4CCOCC4)cc3)c2OC1,XAAFRJKIXZMZMZ-UHFFFAOYSA-N
|
| 87117 |
+
rxn:5:180662:225784:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,HGOUEWACEWZSPP-UHFFFAOYSA-N
|
| 87118 |
+
rxn:5:180662:226148:227613,COC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,AVPJDFWVGDDSGJ-UHFFFAOYSA-N
|
| 87119 |
+
rxn:5:180662:226320:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,ZCEBSXOLPORJAT-UHFFFAOYSA-N
|
| 87120 |
+
rxn:5:180662:226447:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCOCC4)c3)c2OC1,REBWBPCINYVZII-UHFFFAOYSA-N
|
| 87121 |
+
rxn:5:180662:226661:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,ZUNIZHBPFATNBP-UHFFFAOYSA-N
|
| 87122 |
+
rxn:5:180662:226662:226645,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,SSKRJHOJQSMHCB-UHFFFAOYSA-N
|
| 87123 |
+
rxn:5:180662:226662:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,MMWSSOSHKRQREJ-UHFFFAOYSA-N
|
| 87124 |
+
rxn:5:180662:226662:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,DAGHJZWUGVFNOU-UHFFFAOYSA-N
|
| 87125 |
+
rxn:5:188446:222989:226084,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)c(-c2ccc3c(c2)C(=O)CCCC3)c([N+](=O)[O-])c1,OXURDWMPDWAMHU-UHFFFAOYSA-N
|
| 87126 |
+
rxn:5:188633:223064:222957,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)cnc(OC)c1-c1cc(C)cc(C2CCCNC2)c1,OWTKBNBPJJKAAP-UHFFFAOYSA-N
|
| 87127 |
+
rxn:5:188931:225811:227507,COC(=O)c1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc(S(N)(=O)=O)c1-c1cccc(C=C[N+](=O)[O-])c1,ZGHQKBXQMTZMLX-UHFFFAOYSA-N
|
| 87128 |
+
rxn:5:189001:226188:225464,COC(=O)C1(c2nc(-c3cccc(N4CCCC(C)C4)c3)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CC1,CUOOFWCXLPDLNM-UHFFFAOYSA-N
|
| 87129 |
+
rxn:5:189207:227351:226143,COC(=O)c1c(C)cccc1-c1ccc(-c2cc(C)c(OC(C)C)c(C)c2)c(C(=O)ON2C(=O)CCC2=O)c1,YZPPOXGQYPSRTN-UHFFFAOYSA-N
|
| 87130 |
+
rxn:5:189321:225394:223058,CC(C)(C)OC(=O)c1nc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1cc(F)nc(C2CCCNC2)c1,BXCYATXIBACJLP-UHFFFAOYSA-N
|
| 87131 |
+
rxn:5:189667:226594:225602,CC(C)Oc1cc(F)c(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2)c(F)c1,JWOFYFNQZDYORE-NJNCEQLISA-N
|
| 87132 |
+
rxn:5:189669:227657:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(/C=N/S(=O)C(C)(C)C)ccc1-c1ccc(N2CCOCC2)s1,VYSDKTKLDWCJLX-VUTHCHCSSA-N
|
| 87133 |
+
rxn:5:189674:226342:225803,COC(=O)c1c(C)cc(-c2cc(-c3ccnc(OC4CCOCC4)c3)ccc2/C=N/S(=O)C(C)(C)C)cc1C,ORZHTVUZJLXIIP-HNSNBQBZSA-N
|
| 87134 |
+
rxn:5:189718:227042:223138,CCOc1cc(C)c(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccnc(C3CCNCC3)c2)c(C)c1,KKUDJJTYZGLKJC-UHFFFAOYSA-N
|
| 87135 |
+
rxn:5:189829:225453:227568,COc1cc(F)c(-c2cc(C(=O)N3CCCC3)cc(-c3cccc(SC4CCCCC4)c3)c2OC)c(OC)c1,UGMLWMRQQQBVGW-UHFFFAOYSA-N
|
| 87136 |
+
rxn:5:189952:223064:228759,COc1c(-c2ccc(C(C)=O)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,GOTXPQOUYPDXQS-UHFFFAOYSA-N
|
| 87137 |
+
rxn:5:189952:226052:228231,COc1c(-c2ccc(N(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1c(F)ccc(OC(F)(F)F)c1F,ROLBNHCMEMULHZ-UHFFFAOYSA-N
|
| 87138 |
+
rxn:5:189952:226364:222417,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,LJHVJWAPVFTRLC-UHFFFAOYSA-N
|
| 87139 |
+
rxn:5:189952:228703:226395,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnn(C2CCC2)c1,ZCXHEPDMEYXUHK-UHFFFAOYSA-N
|
| 87140 |
+
rxn:5:190001:226754:225655,CCOc1c(F)cc(F)c(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)c1F,APYOQJSHTURUOA-UHFFFAOYSA-N
|
| 87141 |
+
rxn:5:190128:226330:228761,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(C(C)N3CCCC3)s2)cnc1C,GIBPXAZZKWYENE-UHFFFAOYSA-N
|
| 87142 |
+
rxn:5:190194:225805:223111,COC1CCN(Cc2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2cccc3[nH]nc(C(C)C)c23)CC1,LSHSLFQQKSKORE-UHFFFAOYSA-N
|
| 87143 |
+
rxn:5:190194:226037:228677,COc1c(C(F)(F)F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnn(CC(C)C)c2)c1F,UUKVCPUNKXPROP-UHFFFAOYSA-N
|
| 87144 |
+
rxn:5:190196:226197:227024,CC(c1cccc(-c2cc(-c3ccc(C4CCCOC4)cc3)ccc2CN(C)C2CCOCC2)c1)N(C)C,WZTCHEBMZUUZTB-UHFFFAOYSA-N
|
| 87145 |
+
rxn:5:190200:225438:227768,CC(c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cccn3S(=O)(=O)N(C)C)c2)cc1)N1CCCC1,UVEGLVHQBGMONS-UHFFFAOYSA-N
|
| 87146 |
+
rxn:5:190200:225945:227766,CCn1nc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1,LRDLRKRFXDZLQP-UHFFFAOYSA-N
|
| 87147 |
+
rxn:5:190200:226061:223186,CC(C)c1cc(-c2cc(CN(C)C3CCOCC3)cc(-c3cnn(C4CCCCO4)c3)c2)cc(C2CC2)c1,VDDRGFMTYOIAQY-UHFFFAOYSA-N
|
| 87148 |
+
rxn:5:190201:225591:227077,CCC(C)c1ccc(-c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2CCN2CCOC(C)C2)c(F)c1,LHYAOVBXNDCPCV-UHFFFAOYSA-N
|
| 87149 |
+
rxn:5:190201:225886:225988,CC1CN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2c(F)cc(C3OCCO3)cc2F)CCO1,KBAWNNFSMCYQHR-UHFFFAOYSA-N
|
| 87150 |
+
rxn:5:190264:226466:228120,CCOc1ncc(C)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)OCC(=O)N2C,XCLGIKLAGOJJMX-UHFFFAOYSA-N
|
| 87151 |
+
rxn:5:190265:225394:228292,CC1CCCN(C(=O)Cc2ccc(-c3ccnc4c3OCCO4)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)C1,PLAMVDBLTVBRDR-UHFFFAOYSA-N
|
| 87152 |
+
rxn:5:190335:226216:225654,COc1ccc2ncc(-c3cc(C(=O)N4CCCCC4C)cc(-c4ccc(N5CCCC(C)C5)nc4)c3OC)cc2c1,SAZSCCCQVGRFNP-UHFFFAOYSA-N
|
| 87153 |
+
rxn:5:190484:223056:228965,O=C(c1cccc(-c2ccc(N3CCC(O)CC3)nc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,JWEAZYFSOQYCCZ-UHFFFAOYSA-N
|
| 87154 |
+
rxn:5:190484:223139:225871,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(N3C(=O)C=CC3=O)c2)S(=O)(=O)CC1,ANECLDGJGMSPPU-UHFFFAOYSA-N
|
| 87155 |
+
rxn:5:190484:223142:227501,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,BXCVDSFNJINSIA-UHFFFAOYSA-N
|
| 87156 |
+
rxn:5:190484:223142:227506,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-XDJHFCHBSA-N
|
| 87157 |
+
rxn:5:190484:223142:227507,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-UHFFFAOYSA-N
|
| 87158 |
+
rxn:5:190484:223242:227505,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-XMHGGMMESA-N
|
| 87159 |
+
rxn:5:190484:223384:223242,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNC5)c4)S(=O)(=O)CC3)c2)cn1,HQMQLKZIXDFASW-UHFFFAOYSA-N
|
| 87160 |
+
rxn:5:190484:227501:223242,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNC3)c2)S(=O)(=O)CC1,FFFXMXUBQKZWLC-UHFFFAOYSA-N
|
| 87161 |
+
rxn:5:190484:227501:226643,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(N3CCOCC3)nc2)S(=O)(=O)CC1,NOGVDWKKMNXXDE-UHFFFAOYSA-N
|
| 87162 |
+
rxn:5:190484:227505:223311,O=C(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,RBDRNAGPUKGIOA-OBGWFSINSA-N
|
| 87163 |
+
rxn:5:190484:227506:223311,O=C(c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,FJBSQQGHFGZXFO-SAPNQHFASA-N
|
| 87164 |
+
rxn:5:190484:227507:223142,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCCNC3)nc2)S(=O)(=O)CC1,QUUKZWBLMMMYAK-UHFFFAOYSA-N
|
| 87165 |
+
rxn:5:190484:227517:227505,O=C(c1cccc(-c2ccc(OC3COC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,WUMMIDOMYFRFRE-SAPNQHFASA-N
|
| 87166 |
+
rxn:5:190484:228868:223139,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNCC5)nc4)S(=O)(=O)CC3)c2)s1,MPVUHVSBZJQECA-UHFFFAOYSA-N
|
| 87167 |
+
rxn:5:190484:228965:223148,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2ccccc2C2CNCCO2)S(=O)(=O)CC1,HDXIUUJBXADKLZ-UHFFFAOYSA-N
|
| 87168 |
+
rxn:5:190740:225849:225982,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,QEXUIUZYNGWEJX-UHFFFAOYSA-N
|
| 87169 |
+
rxn:5:190740:225982:225784,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(CN2CCOCC2)nc1,QPSNSKLGULONDY-UHFFFAOYSA-N
|
| 87170 |
+
rxn:5:190740:226583:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1ccnc(N2CCOCC2)c1F,OBTRJPHTIJRUBY-UHFFFAOYSA-N
|
| 87171 |
+
rxn:5:190740:226583:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1cnc(N2CCOCC2)cc1F,QVLXLUZUGDPYHZ-UHFFFAOYSA-N
|
| 87172 |
+
rxn:5:190740:226662:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1ccc(N2CCOCC2)nc1F,OYPUSDPALQZBOZ-UHFFFAOYSA-N
|
| 87173 |
+
rxn:5:190741:223056:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YZFNWBGORCBPDR-UHFFFAOYSA-N
|
| 87174 |
+
rxn:5:190741:225976:223056,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,LPJDMTAHVNCSKT-UHFFFAOYSA-N
|
| 87175 |
+
rxn:5:190741:226583:225976,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,UUYPDQQWQCSPEW-UHFFFAOYSA-N
|
| 87176 |
+
rxn:5:190741:226583:225980,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,DLBULYFMXVEKJA-UHFFFAOYSA-N
|
| 87177 |
+
rxn:5:190741:226583:225982,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,LRSVVJOTIIBMOI-UHFFFAOYSA-N
|
| 87178 |
+
rxn:5:190742:222980:223010,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCNCC4)cc3)c2c1-c1ccc(C2(O)CCOCC2)cc1,ACUOYJMGWQJKHT-UHFFFAOYSA-N
|
| 87179 |
+
rxn:5:190742:223010:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4(O)CCOCC4)cc3)c2c1-c1cc(C2CCNCC2)ncc1F,XKLKAAZRGLMOKS-UHFFFAOYSA-N
|
| 87180 |
+
rxn:5:190742:223056:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,UGINLLGGEYOYEA-UHFFFAOYSA-N
|
| 87181 |
+
rxn:5:190742:223061:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,AYTLABNIHADPCA-UHFFFAOYSA-N
|
| 87182 |
+
rxn:5:190742:223061:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,INGBEJPFOGWAFO-UHFFFAOYSA-N
|
| 87183 |
+
rxn:5:190742:223064:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cnc(N2CCCCC2)cc1F,AVYJXVIZXVYBGO-UHFFFAOYSA-N
|
| 87184 |
+
rxn:5:190742:225655:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccnc(N2CCOCC2)c1F,JRGXHRPMKJZAOO-UHFFFAOYSA-N
|
| 87185 |
+
rxn:5:190742:225805:226679,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1-c1cnc(N2CCCC2)cc1F,QKMBEWCNLKSFGX-UHFFFAOYSA-N
|
| 87186 |
+
rxn:5:190742:225833:225656,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cncc(N2CCCCC2C)c1,KLHDNNQAMXQEIY-UHFFFAOYSA-N
|
| 87187 |
+
rxn:5:190742:225976:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)nc1,UQVOJNZNKXBIHK-UHFFFAOYSA-N
|
| 87188 |
+
rxn:5:190742:225982:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,YWRKLUYUEADNJS-UHFFFAOYSA-N
|
| 87189 |
+
rxn:5:190742:225982:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,DEIRVXZFJIMJLK-UHFFFAOYSA-N
|
| 87190 |
+
rxn:5:190742:226583:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(N2CCOCC2)nc1F,ADNPGZUJIQXDCJ-UHFFFAOYSA-N
|
| 87191 |
+
rxn:5:190742:226583:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,OGSXQXBAQBWQFU-UHFFFAOYSA-N
|
| 87192 |
+
rxn:5:190742:226662:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(C2CCNCC2)nc1F,ZICFXWXPDQUZLR-UHFFFAOYSA-N
|
| 87193 |
+
rxn:5:190743:223061:225834,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,VSOUWJBXPXBHDN-UHFFFAOYSA-N
|
| 87194 |
+
rxn:5:190743:223062:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,JLXIXESDRQLXRU-UHFFFAOYSA-N
|
| 87195 |
+
rxn:5:190743:223062:225849,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,UGSWHCXEWFEXPL-UHFFFAOYSA-N
|
| 87196 |
+
rxn:5:190743:225976:225833,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,FNRXFUBUSFSPLA-UHFFFAOYSA-N
|
| 87197 |
+
rxn:5:190743:226662:225976,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1ccnc(N2CCOCC2)c1F,SYJDJCBOAVVOOA-UHFFFAOYSA-N
|
| 87198 |
+
rxn:5:190743:226662:225978,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1ccc(N2CCOCC2)nc1F,MSSWAVGPJJNRLQ-UHFFFAOYSA-N
|
| 87199 |
+
rxn:5:190743:226662:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1cnc(N2CCOCC2)cc1F,QTDNGFWSBUAAMF-UHFFFAOYSA-N
|
| 87200 |
+
rxn:5:190744:223061:225833,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XWFWKXNRXHIUAI-UHFFFAOYSA-N
|
| 87201 |
+
rxn:5:190744:225655:225633,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,YGINTMYCDFOJGU-UHFFFAOYSA-N
|
| 87202 |
+
rxn:5:190744:226583:223064,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,NWXFHBRTRMDTPW-UHFFFAOYSA-N
|
| 87203 |
+
rxn:5:190744:226583:225976,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,ZWZYFGNDJALHFD-UHFFFAOYSA-N
|
| 87204 |
+
rxn:5:190744:226583:225982,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,SGEDOGRPEWNEFK-UHFFFAOYSA-N
|
| 87205 |
+
rxn:5:190796:223010:222994,CC(C)(C)OC(=O)n1cc(-c2ccc(C3(O)CCOCC3)cc2)c2c(-c3cccc(N4CCC(O)CC4)c3)cccc21,ZRYNREKJMFDMHI-UHFFFAOYSA-N
|
| 87206 |
+
rxn:5:190832:225834:225655,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1cncc(N2CCC(C)CC2)c1,MEYVXFDGQSWBKM-UHFFFAOYSA-N
|
| 87207 |
+
rxn:5:190833:228149:225595,COC(=O)c1ccccc1-c1ccc(-c2ccc(F)c(CN3CCCC3)c2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,ILAKGTLWEINEKV-UHFFFAOYSA-N
|
| 87208 |
+
rxn:5:190833:229045:225834,Cc1cc(F)cc(-c2ccc(-c3cc(N4CCCCC4)ncc3F)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)c1,HTKGQIXYDZJUJT-UHFFFAOYSA-N
|
| 87209 |
+
rxn:5:190998:226679:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1N1Cc2cc(-c3cnc(N4CCCC4)cc3F)ccc2OCC1=O,IEVJGLXUVBYLAZ-UHFFFAOYSA-N
|
| 87210 |
+
rxn:5:191049:225834:226794,COc1cc(N2Cc3cc(-c4cc(N5CCCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCSCC2)nc1,YIKDWQMIBSLBOR-UHFFFAOYSA-N
|
| 87211 |
+
rxn:5:191049:227968:225784,COc1cc(N2Cc3cc(-c4cnccc4C4CCC4)ccc3OCC2=O)c(OC)cc1-c1ccc(CN2CCOCC2)nc1,OEASAGRGQMDZEU-UHFFFAOYSA-N
|
| 87212 |
+
rxn:5:191049:228871:226338,COC(=O)c1ccsc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccnc(OC4CCCC4)c3)cc1OC)C(=O)CO2,CUJVWBBSXLDDMC-UHFFFAOYSA-N
|
| 87213 |
+
rxn:5:191945:226654:223010,CC(=O)c1cc(-c2csc(N3CCC(C)CC3)n2)c(-c2ccc(C3(O)CCOCC3)cc2)cc1[N+](=O)[O-],FBPPAGKVSMTMCS-UHFFFAOYSA-N
|
| 87214 |
+
rxn:5:192234:226427:226662,COc1c(-c2ccc(N3CCN(C)CC3)s2)cc(-c2cc(N3CCC(C)CC3)cs2)cc1S(N)(=O)=O,DMRHOPFWPZKJGF-UHFFFAOYSA-N
|
| 87215 |
+
rxn:5:192236:225607:227404,COc1cc(-c2cc(N3CCCCC3)cs2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCCCC2)s1,DCRSFYBUYXAFKZ-UHFFFAOYSA-N
|
| 87216 |
+
rxn:5:192560:225394:225802,O=C(c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc(OC2CCCC2)nc1F)N1CCC1,MMWFWLKEYJYKKE-UHFFFAOYSA-N
|
| 87217 |
+
rxn:5:193226:223062:226583,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1)N1CCOCC1,ZGNGINPDVZEDMB-UHFFFAOYSA-N
|
| 87218 |
+
rxn:5:193226:225784:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2ccc(CN3CCOCC3)nc2)cc(F)n1,WLFLRVNAHGHWRU-UHFFFAOYSA-N
|
| 87219 |
+
rxn:5:193226:226366:225982,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2cnc(N3CCOCC3)cc2F)c1)N1CCOCC1,RIRBMZNLYCPVEK-UHFFFAOYSA-N
|
| 87220 |
+
rxn:5:193226:226583:223062,O=C(c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2cnc(C3CCNCC3)cc2F)c1)N1CCOCC1,RTNCUDIJLRZVEV-UHFFFAOYSA-N
|
| 87221 |
+
rxn:5:193226:227376:225834,O=C(c1ccc(-c2cncc(N3CCCC3)c2)c(-c2cc(N3CCCCC3)ncc2F)c1)N1CCOCC1,QLFSEWZFFNFHGL-UHFFFAOYSA-N
|
| 87222 |
+
rxn:5:193227:225466:225987,CC1CCCCN1c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2)cc1,SROZRSOTQNNSJE-UHFFFAOYSA-N
|
| 87223 |
+
rxn:5:193229:223006:225978,O=C(c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccc(N2CCOCC2)nc1F)N1CCOCC1,GHRIYJYQVCDPGE-UHFFFAOYSA-N
|
| 87224 |
+
rxn:5:193229:225655:226059,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3ccc(C(C)C)cc3C(C)C)c2)CC1,JDIVOYDXEDPEPJ-UHFFFAOYSA-N
|
| 87225 |
+
rxn:5:193229:226946:226686,Cc1cnn(C2CCCCO2)c1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc2c(c1)CCN(C)C2,YXKFSLZWYGHRED-UHFFFAOYSA-N
|
| 87226 |
+
rxn:5:193229:227316:226583,CC(C)Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(CN3CCOCC3)s2)cc(F)n1,QBFXBGJSIILZNL-UHFFFAOYSA-N
|
| 87227 |
+
rxn:5:193229:227684:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1cnn(CC2OCCO2)c1,YHXNZLRZIONGFK-UHFFFAOYSA-N
|
| 87228 |
+
rxn:5:193336:223113:225803,CC1(C)C(=O)Nc2ccc(-c3cccc(CN4CCOCC4)c3-c3ccnc(OC4CCOCC4)c3)cc21,SFYBRWXJWXNOQU-UHFFFAOYSA-N
|
| 87229 |
+
rxn:5:193382:222959:226583,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)ccc1C1CCNCC1,DCPHTSPMGQLCFI-UHFFFAOYSA-N
|
| 87230 |
+
rxn:5:193382:222959:227656,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)ccc1C1CCNCC1,IPNDPAKZJASPQL-UHFFFAOYSA-N
|
| 87231 |
+
rxn:5:193382:223138:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,ACWWJKCEHJEQJU-UHFFFAOYSA-N
|
| 87232 |
+
rxn:5:193382:223139:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCOCC2)c1,IQIRNEBSTXQWRQ-UHFFFAOYSA-N
|
| 87233 |
+
rxn:5:193382:223201:226662,CN1CCN(c2ccc(-c3cc(-c4ccccc4C4CCNC4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,OJKRCNCEFDWZIA-UHFFFAOYSA-N
|
| 87234 |
+
rxn:5:193382:225805:223295,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cncc(NS(C)(=O)=O)c3)c2)s1)N1CCOCC1,MBLKVJCJSWXPTL-UHFFFAOYSA-N
|
| 87235 |
+
rxn:5:193382:225805:228211,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCCC4)cs3)c2)s1)N1CCOCC1,OAZDNRKJAKDBPK-UHFFFAOYSA-N
|
| 87236 |
+
rxn:5:193382:226583:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(CN5CCOCC5)s4)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,HNDWHPKCCUWLFO-UHFFFAOYSA-N
|
| 87237 |
+
rxn:5:193382:226661:222958,Cc1ccc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,SYARFEJYSYXEOG-UHFFFAOYSA-N
|
| 87238 |
+
rxn:5:193382:226661:226330,CC(c1ccc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,KWGQGHDBDHLBHE-UHFFFAOYSA-N
|
| 87239 |
+
rxn:5:193382:226661:226661,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cc(N5CCN(C)CC5)cs4)c3)c2)CC1,OHLYDLKKYXTKRM-UHFFFAOYSA-N
|
| 87240 |
+
rxn:5:193382:226662:227449,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCOCC5)s4)c3)s2)CC1,VJIOLVOXBDSOMN-UHFFFAOYSA-N
|
| 87241 |
+
rxn:5:193382:227449:223189,CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)c(F)c1,MZPKRXWKHXIBNR-UHFFFAOYSA-N
|
| 87242 |
+
rxn:5:193382:227449:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)c1,DMKQDUBDUCVBJA-UHFFFAOYSA-N
|
| 87243 |
+
rxn:5:193382:227498:225438,COc1cc(N(C)C)ncc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C(C)N3CCCC3)cc2)c1,QROHDKBFLQMNHC-UHFFFAOYSA-N
|
| 87244 |
+
rxn:5:193382:227657:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)c1,OOTMQURCHQUJTD-UHFFFAOYSA-N
|
| 87245 |
+
rxn:5:193382:228703:225982,O=S(=O)(c1ccc(-c2cnn(C3CCC3)c2)cc1-c1cnc(N2CCOCC2)cc1F)N1CCOCC1,YHPXDEOJWSACCO-UHFFFAOYSA-N
|
| 87246 |
+
rxn:5:193382:228868:223056,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)s1,DNPIAQSVHAMAHU-UHFFFAOYSA-N
|
| 87247 |
+
rxn:5:193464:227091:223056,N#CC1(c2ccc(-c3cncc(C4CCCC4)c3)cc2-c2ccc(N3CCC(O)CC3)nc2)CCCCC1,NOSZSTKIKBQLGS-UHFFFAOYSA-N
|
| 87248 |
+
rxn:5:193466:226068:226845,COc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC[C@H]2C)c(-c2c(C)cc(C(C)(C)C)cc2C)c1,HONAWGLQJGXICS-HXUWFJFHSA-N
|
| 87249 |
+
rxn:5:193506:222958:226661,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)cc1C1CCNCC1,UQUKVOKNVKDDDJ-UHFFFAOYSA-N
|
| 87250 |
+
rxn:5:193506:222958:228103,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(CC(C)C)nc3)c2)cc1C1CCNCC1,PVDCUXAPALILNZ-UHFFFAOYSA-N
|
| 87251 |
+
rxn:5:193506:223054:229069,COc1ncccc1-c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,CMYSJGMMPWPYFH-UHFFFAOYSA-N
|
| 87252 |
+
rxn:5:193506:223138:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,KASZUEMILCUHEF-RQZCQDPDSA-N
|
| 87253 |
+
rxn:5:193506:223148:226426,CC1CCN(c2ccc(-c3cc(-c4ccccc4C4CNCCO4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,UWPCHAAYQSSSBD-UHFFFAOYSA-N
|
| 87254 |
+
rxn:5:193506:223201:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2ccccc2C2CCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,GGBDCHUTJQTHBK-UHFFFAOYSA-N
|
| 87255 |
+
rxn:5:193506:223240:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNC4)nc3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,BFQCSNMWPKTTSH-UHFFFAOYSA-N
|
| 87256 |
+
rxn:5:193506:223242:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNC4)c3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,BARKDBOKZRULGD-OVCLIPMQSA-N
|
| 87257 |
+
rxn:5:193506:223242:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccnc(C4CCNC4)c3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,BARKDBOKZRULGD-UHFFFAOYSA-N
|
| 87258 |
+
rxn:5:193506:223354:223138,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)cc1,QRQGTZOAHRMMGL-UHFFFAOYSA-N
|
| 87259 |
+
rxn:5:193506:223355:223138,CNC(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNCC3)c2)c1,VFARDYYBKBPIPZ-UHFFFAOYSA-N
|
| 87260 |
+
rxn:5:193506:223356:223138,CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)c1,SRQXLTCXKSEUMK-UHFFFAOYSA-N
|
| 87261 |
+
rxn:5:193506:225805:228628,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C4CCC4)cs3)c2)s1)N1CCOCC1,FXIBCBVXCJPOJZ-UHFFFAOYSA-N
|
| 87262 |
+
rxn:5:193506:226661:223148,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccccc4C4CNCCO4)c3)c2)CC1,IQVQTZBTPRACCP-UHFFFAOYSA-N
|
| 87263 |
+
rxn:5:193506:226662:223147,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CNCCO5)cc4)c3)s2)CC1,KKVZDCFYBRSPEL-UHFFFAOYSA-N
|
| 87264 |
+
rxn:5:193506:226662:227449,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4ccc(C5CCOCC5)s4)c3)s2)CC1,WEFNVLSWBNKAFJ-UHFFFAOYSA-N
|
| 87265 |
+
rxn:5:193506:227501:223139,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(C3CCNCC3)nc2)CC1,MPJNDDKBLROWLT-UHFFFAOYSA-N
|
| 87266 |
+
rxn:5:193506:227507:223242,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccnc(C3CCNC3)c2)CC1,SAGLRRDMJKBTNR-UHFFFAOYSA-N
|
| 87267 |
+
rxn:5:193506:228692:223148,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1,MQHPYTQIAOALBG-UHFFFAOYSA-N
|
| 87268 |
+
rxn:5:193506:228692:225805,CC(c1ccc(-c2cc(-c3ccc(CN(C)C)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,AQENEYVUJBAODP-UHFFFAOYSA-N
|
| 87269 |
+
rxn:5:193506:229081:222959,Cc1cc(-c2cc(-c3ccc(N(C)C)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1CCNCC1,UZQZIDCGUGOPRC-UHFFFAOYSA-N
|
| 87270 |
+
rxn:5:193506:229081:223056,CN(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)s1,KYCVKVMHDYNUJA-UHFFFAOYSA-N
|
| 87271 |
+
rxn:5:193598:225808:227898,CC(C)Cc1cncc(-c2ccc(-c3cc(OC4CCCC4)ncc3F)cc2C(=O)N2CCOC(C)C2)c1,UVGAHDZDUVDAML-UHFFFAOYSA-N
|
| 87272 |
+
rxn:5:193752:226729:226756,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2cnc(OC3CCOC3)nc2)ccc1C(F)(F)F,YAPWMEIPBSURJS-UHFFFAOYSA-N
|
| 87273 |
+
rxn:5:193753:223082:227452,CNS(=O)(=O)c1c(C)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cccc(C4OCCO4)c3)c2)cc1C,VVNKVFIWQAMKBW-UHFFFAOYSA-N
|
| 87274 |
+
rxn:5:193807:222991:226322,Cc1cc(C(=O)N(C)C)ccc1-c1cccc(CN2CCC(C)CC2)c1-c1ccc(N2CCCC(O)C2)cc1,BMOPGKUQOYTILO-UHFFFAOYSA-N
|
| 87275 |
+
rxn:5:193868:228064:226861,CC1CN(C(=O)c2cc(-c3cnc4c(c3)C(=O)CC4)ccc2-c2ccc(OC(F)(F)F)c(F)c2)CC(C)O1,SJDSQIGAFFUSMT-UHFFFAOYSA-N
|
| 87276 |
+
rxn:5:193871:222405:227025,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccc(C2NC(=O)NC2=O)c1,OTXFBRKFFJCSSR-UHFFFAOYSA-N
|
| 87277 |
+
rxn:5:193871:225641:227207,CC1CCCN(c2cc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3cccc4c3OCCC4=O)ccn2)C1,VQIIDPMFYLPACC-UHFFFAOYSA-N
|
| 87278 |
+
rxn:5:193871:225684:225437,Cc1nc(C2CCOCC2)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1cccc(CN2CCCCC2)c1,OTKRBWGZGJPPHV-UHFFFAOYSA-N
|
| 87279 |
+
rxn:5:193871:225833:227450,O=C(c1ccc(-c2cccc(C3CC3(F)F)c2)c(-c2ccnc(N3CCCCC3)c2F)c1)N1CCC2(CC1)CC2,LRNHPFWKJOSKKE-UHFFFAOYSA-N
|
| 87280 |
+
rxn:5:193871:226182:227967,O=C(c1ccc(-c2cccnc2C2CCC2)c(-c2cccnc2C2CCCCC2)c1)N1CCC2(CC1)CC2,XYKJRCNOADOUQY-UHFFFAOYSA-N
|
| 87281 |
+
rxn:5:193871:227033:227416,N#Cc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(F)nc(C3CCC3)c2)ccc1C1CC1,OJOHUUXJJSKRTK-UHFFFAOYSA-N
|
| 87282 |
+
rxn:5:193967:223089:226841,COc1cc(-c2cc(-c3ccc4[nH]c(C(F)(F)F)nc4c3)ccc2CN2CCC3(CC2)OCCO3)cnc1C(F)(F)F,UWOWPOFUEDHIHM-UHFFFAOYSA-N
|
| 87283 |
+
rxn:5:193972:228915:225934,COc1cnc(F)c(-c2cc(C)c(-c3cnc(C(F)(F)F)c(C4CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,HVJWESQLMQCAFT-UHFFFAOYSA-N
|
| 87284 |
+
rxn:5:194561:226069:226861,O=C(c1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(OC(F)(F)F)c(F)c1)N1C2CCC1COC2,XFGHTMVKVGDFST-UHFFFAOYSA-N
|
| 87285 |
+
rxn:5:194575:226662:223147,CN1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCc4sc(-c5ccc(C6CNCCO6)cc5)cc4C3)s2)CC1,KLMUAMLQCPSIQU-UHFFFAOYSA-N
|
| 87286 |
+
rxn:5:194659:223001:226152,COc1cc(C2CC2)cc(-c2cccc(CN3Cc4cc(-c5cc(C6CCCNC6)ccc5F)ccc4OCC3=O)c2)c1C,CPWPWAYCARMPLL-UHFFFAOYSA-N
|
| 87287 |
+
rxn:5:194733:223307:225982,O=C(c1cc(-c2ccc3c(c2)CCNC3)ccc1-c1cnc(N2CCOCC2)cc1F)N1C2CCC1CC(=C1CC1)C2,AEEQRGBMCMUIQL-UHFFFAOYSA-N
|
| 87288 |
+
rxn:5:194733:226700:225652,CC1CCCN(c2cncc(-c3ccc(-c4ccc(-c5cccs5)nc4F)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)c2)C1,QWHFKBCZTLEXSX-UHFFFAOYSA-N
|
| 87289 |
+
rxn:5:194733:227197:225824,CN1Cc2ccc(-c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2C1=O,FAMRYECFJMWMBL-UHFFFAOYSA-N
|
| 87290 |
+
rxn:5:194767:223065:223061,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cc(C4CCNCC4)ncc3F)C2)c2ccccc21,VCEYPVJSHPGCMM-UHFFFAOYSA-N
|
| 87291 |
+
rxn:5:194767:227352:226131,COC(=O)c1ccc(C)cc1-c1ccc(-c2ccccc2CN2CCCC2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,RTTFMJXMFWRUCS-UHFFFAOYSA-N
|
| 87292 |
+
rxn:5:194782:227294:223312,Cc1cnc(OC(C)C)c(-c2ccc(-c3ccc(C4CNC4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)c1,PRCYGXFFALASQE-UHFFFAOYSA-N
|
| 87293 |
+
rxn:5:194782:228136:228211,O=C1CC2(CCN(C(=O)c3cc(-c4ccc(OC5CC5)nc4)ccc3-c3cc(N4CCCC4)cs3)CC2)Oc2ccccc21,KXMXZAMRAYBXRS-UHFFFAOYSA-N
|
| 87294 |
+
rxn:5:194791:225614:227108,O=C1C2C(c3ccc(-c4cc(C5CCC5)ccc4F)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc(Oc2cccnc2)cc1,JGIMFHNSTLEIKX-UHFFFAOYSA-N
|
| 87295 |
+
rxn:5:194791:227113:228135,CCOc1cc(C)ncc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4cc(C5CC5)c(F)cc4C)C(=O)C23)cc1,FNFYHVOXRTVQQR-UHFFFAOYSA-N
|
| 87296 |
+
rxn:5:194791:227286:226196,Cc1sc(-c2ccccc2)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(C(=O)N(C)C)cc4)C(=O)C23)cc1,AQBMOMXJMSEZNL-UHFFFAOYSA-N
|
| 87297 |
+
rxn:5:194791:228193:228805,CSc1cccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cnn(C6CCCC6)c5)C(=O)C34)cc2)c1F,QGSBHADPJHLMNG-UHFFFAOYSA-N
|
| 87298 |
+
rxn:5:194792:226914:225794,Cc1cc(CC(C)C)ccc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cnc(OC6CCCCC6)nc5)cc4)C(=O)C23)cc1,IJDJIRVJGZHZPQ-UHFFFAOYSA-N
|
| 87299 |
+
rxn:5:194792:228464:226080,COc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cncc(OC(F)F)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c2ccccc12,PDCURENZXWJBFK-UHFFFAOYSA-N
|
| 87300 |
+
rxn:5:194792:228708:228749,N#Cc1ccc(F)c(-c2ccc(N3C(=O)C4C(c5ccc(-c6cncnc6C6CC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,OVFJTEYDUOHHSC-UHFFFAOYSA-N
|
| 87301 |
+
rxn:5:196533:225802:226189,O=C1CC(c2ccc(C3CCCC3)c(F)c2)C(=O)N1c1ccc(-c2ccc(OC3CCCC3)nc2F)cc1,LBOIIOJHOIQTMZ-UHFFFAOYSA-N
|
| 87302 |
+
rxn:5:196794:223056:225849,O=C1COCCN1c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1cnc(N2CCCCC2)cc1F,BVSXHRRDARRLMH-UHFFFAOYSA-N
|
| 87303 |
+
rxn:5:196870:225577:222404,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)cc(N2CCOCC2)c1,JMQCIWKVLWLVDR-UHFFFAOYSA-N
|
| 87304 |
+
rxn:5:196873:223065:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(N2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,UHCZEYQUIZQLCH-UHFFFAOYSA-N
|
| 87305 |
+
rxn:5:196873:225602:225638,CC1CCN(c2ccc(-c3cc(N4CCOCC4)ccc3-c3cc(C4(C#N)CCC4)ccc3F)cn2)CC1,DNFWBQJASJWLPY-UHFFFAOYSA-N
|
| 87306 |
+
rxn:5:196918:223002:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1c(-c2ccc(C3CCNCC3)cc2F)cccc1N1CCCCC1=O,PUEVSXQKHJPTIK-UHFFFAOYSA-N
|