Added 560 molecules from epoch 18050 for Q13547

Q13547_molecules.csv

@@ -88274,3 +88274,563 @@ rxn:5:196873:223065:225976,Fc1cc(N2CCNCC2)ccc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC
 rxn:5:196916:225577:225449,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(OC3CCCCC3)c2)ccc1N1CCCCC1=O,RBKIYPWTRXICRX-UHFFFAOYSA-N
 rxn:5:196923:226138:225941,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(N2CCCCC2=O)cc1-c1cnc(C2CC2)c(C(F)(F)F)c1,YSHVVFCJAMTISZ-UHFFFAOYSA-N
 rxn:5:197876:227771:223113,CC1(C)C(=O)Nc2ccc(-c3cc4c(cc3-c3ccc(OC(F)(F)F)nc3)S(=O)(=O)N(C(C)(C)C)C4=O)cc21,SSYFVQXJNHBMTF-UHFFFAOYSA-N
+rxn:4:173502:224036,COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c1,BFKDQVDEZRDXJM-UHFFFAOYSA-N
+rxn:4:173564:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)c1,MHFYBEBXCCCZJQ-UHFFFAOYSA-N
+rxn:4:173565:224078,COC(=O)c1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c(COC(C)(C)[Si](C)(C)C)c1,HTUGBIQWIUUIQU-UHFFFAOYSA-N
+rxn:4:173584:225199,COc1cc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c(OC)cc1-c1cc(F)c(OC2CCCC2)c(F)c1,MVSSUKZFKPFZRP-UHFFFAOYSA-N
+rxn:4:173666:224667,COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cc3F)cc2oc1=O,VPIMHAVJZMAJIF-UHFFFAOYSA-N
+rxn:4:173704:225591,COc1cccc2c(-c3cc(CN4CCCC4)ccc3F)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,URBKDKKGNZMZHG-UHFFFAOYSA-N
+rxn:4:173879:223559,COC(=O)CCCc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,VZPYSEXMRFDYKN-UHFFFAOYSA-N
+rxn:4:174193:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)CC(=O)OC(C)(C)C)cc3)cnc21,ANDLEMCPVNBWHQ-UHFFFAOYSA-N
+rxn:4:174407:223561,COC(=O)C1(c2cccc(-c3ccc(N(C(=O)OC(C)(C)C)c4ccccc4)cc3)c2)CC(OC)(OC)C1,CKUCIVDHDQNGMV-UHFFFAOYSA-N
+rxn:4:174407:224575,COC(=O)C1(c2cccc(-c3ccc(N4CCC(C)CC4)cc3C#N)c2)CC(OC)(OC)C1,OUEXKNADZBYYCW-UHFFFAOYSA-N
+rxn:4:174407:225043,COC(=O)C1(c2cccc(-c3ccc(OC4CCCCC4)c(F)c3)c2)CC(OC)(OC)C1,AEIPCQNSFFGEMD-UHFFFAOYSA-N
+rxn:4:174436:223933,CC(C)(C)OC(=O)n1c(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc2cc(F)ccc21,ILLMHTXOFMKDPW-UHFFFAOYSA-N
+rxn:4:174471:225987,CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1-c1ccc(N2CCCS2(=O)=O)cc1,HNEMXSOEAKSUAW-UHFFFAOYSA-N
+rxn:4:174521:224420,Cc1cc2c(cc1-c1cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(C)(=O)=O)cc3)c1)C(C)(C)CCC2(C)C,SSEKIDBKUPHZMH-UHFFFAOYSA-N
+rxn:4:174565:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C)c(OCC45CC(C(=O)OC)(C4)C5)c3)cc2)CC1,YTJSRJXINPBRLT-HPELYDOMSA-N
+rxn:4:175917:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)OC)c(F)cc3OC3CCCCO3)c(F)c2)CC1,DGOAXSWIMVVTNM-NCDNVGARSA-N
+rxn:4:175974:224022,Fc1cccc(OCCC2CCCCC2)c1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,MWJAFXCLLRQURJ-UHFFFAOYSA-N
+rxn:4:176293:224842,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc1)C2=O,PNCCZRKHUOLJKR-UHFFFAOYSA-N
+rxn:4:176322:224859,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc3c(c2)C(=O)c2ccccc2-3)C(C)(C)CC1(CC)CC,GYYIAVRGAOPSOS-UHFFFAOYSA-N
+rxn:4:177841:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(S(=O)(=O)CC4CCC4)c3)c(F)c2)CC1,DNBCPZZVXMOFQL-AFARHQOCSA-N
+rxn:4:177849:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(SC(F)(F)F)cc(C(C)(C)C)c3)ccc2OC)CC1,SAUYZMOWDZNEFK-UHFFFAOYSA-N
+rxn:4:178372:223891,CC(C)(C)C1CCC(=O)C(Cc2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2)C1,UNVKKXISSIWMSJ-UHFFFAOYSA-N
+rxn:4:178384:224650,Fc1ccc(OCC2CCOCC2)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,LZAITJNOFCUIHU-UHFFFAOYSA-N
+rxn:4:178384:226417,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(N2CCCC2)c1,JTTXRYKALJFHJX-UHFFFAOYSA-N
+rxn:4:178384:227493,CC(C)Cc1nc(Cl)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,GVMHUWSXPZBEMK-UHFFFAOYSA-N
+rxn:4:178384:227924,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(C)c1,LWEIWBODDASVLF-UHFFFAOYSA-N
+rxn:4:178384:229174,Fc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,ADCQUFMZQLYMOM-UHFFFAOYSA-N
+rxn:4:178488:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2ccc(OCC(F)F)c3c2CCCC3)C1,HRKOVUXRNWPROE-UHFFFAOYSA-N
+rxn:4:180458:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4CCCCC4)ccc3OC)c(F)c2)CC1,KGACXAIHQOJGJG-HCGLCNNCSA-N
+rxn:4:180642:223728,CCCCCC1CCC(c2ccc(-c3cc4c(c(C(=O)OC)c3)OCC=C4)c(F)c2)CC1,YPNLQAPZQQQLCQ-UHFFFAOYSA-N
+rxn:4:182416:229033,Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)cc1Cl,LPFQGEBLMQPTCU-UHFFFAOYSA-N
+rxn:4:182900:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc4c(cc3F)CCC4)cc2)CC1,XABPYLGFPHKMCA-UHFFFAOYSA-N
+rxn:4:183236:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc2c(c1)OC1(CC2=O)CS(=O)(=O)C1,VEYNTFNCGAVYLI-UHFFFAOYSA-N
+rxn:4:183269:224280,Cc1cc2c(cc1-c1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)C(C)(C)C=CC2(C)C,QSHYMWARXMGXBU-UHFFFAOYSA-N
+rxn:4:183270:223761,Cc1cc2c(cc1-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)C(C)(C)CCC2(C)C,LPQFEUXLDUSULD-UHFFFAOYSA-N
+rxn:4:183668:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,WJRHOQZIJMKFAK-UHFFFAOYSA-N
+rxn:4:183827:224842,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CC1,KWANKDNXKBTKCZ-UHFFFAOYSA-N
+rxn:4:183836:225379,CCN(C(=O)COc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,JGDURGDZGZZEOA-UHFFFAOYSA-N
+rxn:4:184070:224419,COC(=O)C1(c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc2C)CCN(C(=O)OC(C)(C)C)C1,YPFWQWLTUCVQNH-UHFFFAOYSA-N
+rxn:4:184096:228510,CC(C)c1ccccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,ZEYPMOIAYIOZLR-UHFFFAOYSA-N
+rxn:4:184752:223559,CCN(CC)C(=O)Cc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,SNTHXZKAGIMXPY-UHFFFAOYSA-N
+rxn:4:185107:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)c1,XURVGGRIMJDJAC-UHFFFAOYSA-N
+rxn:4:185139:224075,COC(=O)C1CCN(CCc2ccc(F)c(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)c2)CC1,DLGKOIRMKFGOMH-UHFFFAOYSA-N
+rxn:4:185143:223168,CC(C)CC(=O)N(c1ccc(-c2cccnc2N2CCNCC2)cc1)C1C=CS(=O)(=O)C1,WGFJBRNACYAVBL-UHFFFAOYSA-N
+rxn:4:185147:225308,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)C1,OISIALOQHYQFLG-UHFFFAOYSA-N
+rxn:4:185317:226679,CC(C)(C)OC(=O)N1CC(c2ccc(C3CC3)c(-c3cnc(N4CCCC4)cc3F)c2)C1,OAGUZKMSVYGFKJ-UHFFFAOYSA-N
+rxn:4:185350:224076,CC(C)CS(=O)(=O)C1CCN(C(=O)c2cccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)c2)CC1,GXIYQXKFGDFSEK-UHFFFAOYSA-N
+rxn:4:185352:224970,CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)CC1,ZCRMSAGVLTXHIT-UHFFFAOYSA-N
+rxn:4:185468:222829,CNS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc3ccn(C(=O)OC(C)(C)C)c23)c(C(F)(F)F)c1,UUZADZFPRFZFPV-UHFFFAOYSA-N
+rxn:4:185509:225389,CCC(C)c1cc(-c2cc3c(cc2C(=O)OC)N(C(=O)OC(C)(C)C)CC3)cc(C2CC2)c1,BBPAVGDNEHONJN-UHFFFAOYSA-N
+rxn:4:185647:228426,COc1cc(Cl)cc(F)c1-c1ccc2c(c1)CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]21S(=O)(=O)c1ccc(F)cc1,NKLUICNCXQFKPN-PDDLMNHVSA-N
+rxn:4:185648:226914,Cc1cc(CC(C)C)ccc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,UOYQMLNWNVXNGY-UHFFFAOYSA-N
+rxn:4:186195:223559,COC(=O)C1(Oc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)nc2)CC1,ZFAOPQNQQKHDGJ-UHFFFAOYSA-N
+rxn:4:186841:223928,COC(=O)C(C)(c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1)N(C)C,SIFSHHNULWEYFA-UHFFFAOYSA-N
+rxn:4:187191:222615,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,YOKZHMVTMUQDLV-UHFFFAOYSA-N
+rxn:4:187191:224064,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CC3)cc(N3CCCCC3C)c2)cc1,NEHJFEJNZODLBX-UHFFFAOYSA-N
+rxn:4:187389:225898,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnn(CCN2CCOCC2)c1,FZOLPEUDTKRPGP-UHFFFAOYSA-N
+rxn:4:187515:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc(C(=O)c3cccc(CN4CCSCC4)c3)c2)cc1F,JBBKZVAPRLMGAR-UHFFFAOYSA-N
+rxn:4:187540:224162,CC(C)N(C)Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C(C)(C)C)c1,XFPVYNSEQADELN-UHFFFAOYSA-N
+rxn:4:187557:222886,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,NYUKHXHNIAMTJB-XMMPIXPASA-N
+rxn:4:187695:227413,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(C4CCC4)cc3F)c2)CC1,MWLJNIOMFQYGEM-UHFFFAOYSA-N
+rxn:4:187896:224835,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,HSLVEFKZVVQCGJ-UHFFFAOYSA-N
+rxn:4:187999:228450,COc1cc(-c2cc(C)c(F)c(F)c2F)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,IRUBBGYCXLMSEF-UHFFFAOYSA-N
+rxn:4:189147:223582,COC(=O)c1ccc2cc(-c3cc(C(=O)N(C)C)cc(C(F)(F)F)c3)n(C(=O)OC(C)(C)C)c2c1,WMBCBUWUPHJHAT-UHFFFAOYSA-N
+rxn:4:189712:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc(C(C)(F)F)cc(S(=O)(=O)N(C)C)c3)cnc21,MMCOUYKKRZDHOQ-UHFFFAOYSA-N
+rxn:4:190005:224835,CN(C(=O)c1cccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1F)C1CCCC1,BFALUCJHARXWKZ-UHFFFAOYSA-N
+rxn:4:190006:223884,CC(=NS(=O)C(C)(C)C)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1F,HUORRDFWQAKXKZ-UHFFFAOYSA-N
+rxn:4:190173:226105,CC(C)(C)OCc1ccc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc1,ZVUUSSIFMHAEIW-UHFFFAOYSA-N
+rxn:4:190173:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)c1,ASHWSDHWLOBGJH-UHFFFAOYSA-N
+rxn:4:190269:224420,Cc1cc2c(cc1-c1ccc(CC(=O)N3CCC(C)CC3)cc1F)C(C)(C)CCC2(C)C,FQMIYQFHBCGPTO-UHFFFAOYSA-N
+rxn:4:190276:225347,CC(C)Oc1ncc(-c2ccc(C(=O)N(C)C3(C)CCS(=O)(=O)C3)cc2)cc1C(F)(F)F,OVAXAJYUDLMNQM-UHFFFAOYSA-N
+rxn:4:190857:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1,VAHQCPARGLMVPQ-UHFFFAOYSA-N
+rxn:4:190865:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,GYLWNIUSXYBEGK-UHFFFAOYSA-N
+rxn:4:190952:222648,Cc1cc(C)c(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1NC(=O)OC(C)(C)C,VBUQYBNFVRMSTD-UHFFFAOYSA-N
+rxn:4:191030:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4c(c3)C(C)(C)N(C(=O)OC(C)(C)C)C4)c2)C1,WKYSIPQHBFURNE-UHFFFAOYSA-N
+rxn:4:191038:224970,CC1c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2CCN1C(=O)OC(C)(C)C,DGMDXJRDRCUJDV-UHFFFAOYSA-N
+rxn:4:191055:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc3c(c2)C2(CC2)CN(C(=O)OC(C)(C)C)C3)c1,QDUFCGCEAZVZJO-UHFFFAOYSA-N
+rxn:4:191057:223883,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2C2(CC2)C1,FKDRTEWHYLDXFE-UHFFFAOYSA-N
+rxn:4:191057:225999,COC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)c([N+](=O)[O-])c1,YYHIZGANNHYMCL-UHFFFAOYSA-N
+rxn:4:191105:223883,CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(-c4ccc5c(c4)CCCN5C(=O)OC(C)(C)C)c32)CC1,ONUCRAQVSBBNLV-UHFFFAOYSA-N
+rxn:4:191105:227062,CCOc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C,IKYVNYJUTWJFAU-UHFFFAOYSA-N
+rxn:4:191106:225555,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)OC(C)(C)C)cc1,DQSGUCZNNMWQIQ-UHFFFAOYSA-N
+rxn:4:191122:224566,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4S(=O)(=O)c3ccc(OC)cc3)cc2)CCCC1,CMNFHWVADXPVKW-UHFFFAOYSA-N
+rxn:4:191123:226346,Cc1cc(OC(C)C)c(F)c(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,WBSPSEKNXMGPQN-UHFFFAOYSA-N
+rxn:4:191124:225542,CCCCCc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c(F)c1F,QGCVDBRGFJXBIU-UHFFFAOYSA-N
+rxn:4:191125:225528,CCN(CC)C(=O)c1ccccc1-c1ccc2c(c1)CCC21CCN(C(=O)OC(C)(C)C)CC1,DRRPEOFTMKNPEW-UHFFFAOYSA-N
+rxn:4:191195:228013,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(F)c(C3CC3)c1)c1c2CCC1,UPNXNVMWJZEYOY-UHFFFAOYSA-N
+rxn:4:191639:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c(C(F)(F)F)c1,BWMKLYZZUYKLHF-UHFFFAOYSA-N
+rxn:4:193212:223712,COc1ccc(-c2ccc(CN3CCC(F)C3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,MDCJHAYYJGOQQW-UHFFFAOYSA-N
+rxn:4:193693:224177,CC(C)COc1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc(Cl)c1OC(C)C,KXXLUXGRCNIFAX-UHFFFAOYSA-N
+rxn:4:193697:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(C4C=CN(S(C)(=O)=O)CC4)cc3)cc2)CC1,ZXOALNASTVIBBC-UHFFFAOYSA-N
+rxn:4:193881:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(C)CC1,NFTBSJXESJOTRL-UHFFFAOYSA-N
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+rxn:5:194767:225978:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(N5CCOCC5)nc4F)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)CC1,GOSWPOYCDXGCDH-UHFFFAOYSA-N
+rxn:5:194767:226395:225849,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCCCC5)c4)ccc3-c3cnc(N4CCCCC4)cc3F)C2)c2ccccc21,AYCNPVXDGIVLGQ-UHFFFAOYSA-N
+rxn:5:194782:222985:226180,Cc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3C)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc(C2CCCC2)n1,UYSIXHPYLXODCE-UHFFFAOYSA-N
+rxn:5:194791:228484:228681,O=C1C2C(c3ccc(-c4ccnn4CC4CC4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1-c1ccc([N+](=O)[O-])c(F)c1,XIBFEWJWRCFUEO-UHFFFAOYSA-N
+rxn:5:194792:228727:227912,COc1ncc(C)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5ccc(C(C)OC)cc5)cc4)C(=O)C23)cc1,PZYCPFZVZLDBJY-UHFFFAOYSA-N
+rxn:5:196789:225978:223006,O=C1COCCN1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1-c1ccc(F)c(C2CCNCC2)c1,IDTQAIFURJIKJB-UHFFFAOYSA-N
+rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
+rxn:5:196918:222988:226146,Cc1cc(-c2cccc(N3CCCCC3=O)c2-c2ccc(SC3CCCC3)cc2)cc(C2CCNCC2)n1,OBXGCWLQTIZIOY-UHFFFAOYSA-N