Added 399 molecules from epoch 17724 for Q9BY41

Q9BY41_molecules.csv

@@ -36276,3 +36276,402 @@ rxn:2:99201:115085,Cc1cc(C)c(S(=O)(=O)[O-])cc1NC(c1ccc(CN2CCCCC2)cc1)C1CCCCC1,RB
 rxn:2:99284:155634,Cc1c(C2CC2)nn(C(C)(C)C)c1NC(c1ccc(S(=O)(=O)C(C)C)cc1)C1CCC1,LQJQCSZMBDHVGW-UHFFFAOYSA-N
 rxn:2:99353:151416,CN1CCC(C(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccsc2)CC1,DSKNYYPHFJZDHQ-UHFFFAOYSA-N
 rxn:2:99522:162580,CCC(NC(c1ccc(C2CC2)cc1)C1CCC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,RIOMBBAMEYPKOV-UHFFFAOYSA-N
+rxn:2:100097:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCC(CCN(C)C)CC1,ZTJKLIYBKRNLHP-UHFFFAOYSA-N
+rxn:2:100822:75187,CN1CCc2cnc(C3CC(NC(CCCCC(C)(C)C)c4ccccc4)CCN3C)cc21,NUXCTDGQYFXGDY-UHFFFAOYSA-N
+rxn:2:100929:147763,CC1CC2C(CC1NCCC1C(c3cnc4[nH]ccc4c3)C1(F)F)C(C)(C)CCC2(C)C,LHJWCJSVMVDJFS-UHFFFAOYSA-N
+rxn:2:100929:148537,CC1CC2C(CC1NCCC1C(c3ccnc4[nH]ccc34)C1(F)F)C(C)(C)CCC2(C)C,LNENWCXSISNKOY-UHFFFAOYSA-N
+rxn:2:100929:149739,CC1CC2C(CC1NCCC1C(c3cnc4cc[nH]c4c3)C1(F)F)C(C)(C)CCC2(C)C,HWMAIQPAONROEW-UHFFFAOYSA-N
+rxn:2:100929:168429,CC1CC2C(CC1NCCC1C(c3c[nH]c4ncccc34)C1(F)F)C(C)(C)CCC2(C)C,XVWHCGQPHYXWBD-UHFFFAOYSA-N
+rxn:2:101022:147241,CC(Nc1cccnc1N1CCCCC1C)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,CKSPZLDPWSBNEV-UHFFFAOYSA-N
+rxn:2:101081:117068,CCCC(NC(CN1CCc2ccccc21)C(C)(C)C)c1cc(C)cc2c1OCCCC2,NFCJPWRKCPKHEI-UHFFFAOYSA-N
+rxn:2:101280:109395,Cc1cc(C)c(CN(C)C2CCC(Nc3nnc(C4(S(C)(=O)=O)CC4)s3)CC2)c(C)c1,QLCVGCSPBUKZIV-UHFFFAOYSA-N
+rxn:2:101443:75187,CC(C)(C)CCCCC(Nc1c(C2(C)CC2)c(C2CC2)nn1C1CC1)c1ccccc1,MVTGETRATXWELA-UHFFFAOYSA-N
+rxn:2:101592:147241,Cc1cc(NC(C)c2ccc(OC3CS(=O)(=O)CC3N(C)C)cc2)cnc1N1CCCCCC1,MKSWYGKTHKLBPJ-UHFFFAOYSA-N
+rxn:2:101592:166079,Cc1cc(NC(C)c2ccccc2OC2CS(=O)(=O)CC2N(C)C)cnc1N1CCCCCC1,XSWGMXZZMOBVTK-UHFFFAOYSA-N
+rxn:2:101851:158492,CC(NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C)c1cccc(N(C)C2CCN(C)CC2)c1,HHLLKJJJOWIJKC-UHFFFAOYSA-N
+rxn:2:102560:105832,CCS(C)(=O)=NCCNC(c1cccc(CN2CCSCC2)c1)C1CC1,VZMRPORDOITDRP-UHFFFAOYSA-N
+rxn:2:102750:159769,CC(NC(C)C12C3C4C5C3C1C5C42)c1nc2cccnc2n1C1CCN(C)CC1,NDOKVBUFEZVEKQ-UHFFFAOYSA-N
+rxn:2:102750:170915,CC(NC1CCC(C)(C)c2ccc(-c3cccc(C4CC4)c3)cc21)C12C3C4C5C3C1C5C42,NIIFTIHCYKXKMY-UHFFFAOYSA-N
+rxn:2:103294:108109,CC(C)CCn1c(=O)c(NC2c3ccccc3OCCC2CN2CCN(C)CC2)cn(C)c1=O,NOAQIJAJYSISFR-UHFFFAOYSA-N
+rxn:2:103475:148822,CCN1CCN(c2ncc(C(C)NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2C)CC1,GKTQKBNCNYYMAM-UHFFFAOYSA-N
+rxn:2:103596:119293,CCN(CC(Nc1[nH]nc(C2CCCCC2)c1S(C)(=O)=O)c1ccc(C)cc1)C(C)C,WDXBUQZLYILDOU-UHFFFAOYSA-N
+rxn:2:103888:141967,CC1(C)C(C[Si](C)(C)C)CC1N[C@@H](Cc1ccccc1)CN1CCCCC1,LMNNTVNLJMSKES-KOENEWCDSA-N
+rxn:2:104051:82094,CCC(C)Cn1c(=O)c(NC(c2cccc(CN3CCN(C)CC3)c2)C2CC2)cn(C)c1=O,MRXZCFUTWBVMLA-UHFFFAOYSA-N
+rxn:2:104086:169089,CCCCCC(NCC1(C)CC(N(C)C)CC(C)(C)C1)c1c(C)[nH]c2ccccc12,ZDWGLIPGOYPMDQ-UHFFFAOYSA-N
+rxn:2:104090:110443,CN(C)C(c1ccccc1)C1CCC(NCc2nc(C3(S(C)(=O)=O)CCC3)no2)CC1,WCLXZUCLBIRSAU-UHFFFAOYSA-N
+rxn:2:105453:78954,CCOC1CCN(Cc2ccc(NC(C#C[Si](C)(C)C)CCc3ccccc3)nc2)CC1,ORBKGJCQTGPJBY-UHFFFAOYSA-N
+rxn:2:105458:121598,CN(C)CC1CCN(c2cc(CNC(c3cccc(S(C)(=O)=O)c3)C3CC3)ccn2)CC1,OMXUIQPPBLNAHZ-UHFFFAOYSA-N
+rxn:2:105458:154346,CN(C)CC1CCN(c2cc(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)ccn2)CC1,AZPUOFLQBZMXHW-UHFFFAOYSA-N
+rxn:2:105458:163743,CN(C)CC1CCN(c2cc(CNC(c3cccc(S(C)(=O)=O)c3)C3CCC3)ccn2)CC1,CAPFQRCQMDHOJA-UHFFFAOYSA-N
+rxn:2:105485:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1ccc(N2CCC(N(C)C)CC2)cc1,UNVROUJJYQRVGO-UHFFFAOYSA-N
+rxn:2:106065:170915,C[C@@H](NC1CCC(C)(C)c2ccc(-c3cccc(C4CC4)c3)cc21)C12C3C4C5C3C1C5C42,NIIFTIHCYKXKMY-VIYVGTTNSA-N
+rxn:2:106138:170893,Cc1ccc(C(C)NCCC2(CS(C)(=O)=O)CC2)cc1-c1ccc(N2CCCCC2)nc1,MFYNNONGXDCNHF-UHFFFAOYSA-N
+rxn:2:106992:160487,CC(NCCC1(S(C)(=O)=O)CC1)c1cc2c(cc1-c1cnn(CC3CC3)c1)OCCO2,JMJHMYGYSZRHAB-UHFFFAOYSA-N
+rxn:2:107304:153305,CC(NCC1(N(C)C)CCC(F)(F)CC1)c1cn(N2CCOCC2)c(=O)[nH]c1=O,KHZOSQRRRZMHDS-UHFFFAOYSA-N
+rxn:2:107906:119530,Cc1ccc(CNC(c2ccccc2)C(F)N2CN(F)C=N2)c(N2CCC(N(C)C)CC2)n1,ICBANHFHIBXNJP-UHFFFAOYSA-N
+rxn:2:107912:137294,CCc1nc(NC(CC)c2ccc(N3CCC(F)CC3)cc2)n(C2CCS(=O)(=O)C2)n1,JEMWCMPCZFNGIH-UHFFFAOYSA-N
+rxn:2:108386:132258,Cc1cccc(C(Nc2cccc(OC3CCN(C4COC4)CC3)c2)C(C)S(C)(=O)=O)c1,JXVVUWGGPHJCPA-UHFFFAOYSA-N
+rxn:2:108479:154346,CN(C)C1CCN(c2ccnc(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)n2)CC1,IYWUSAIMKBRMLK-UHFFFAOYSA-N
+rxn:2:108492:149518,CC(NCCC#Cc1ccccc1N1CCCCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1,XVDZYMYDIMLYPE-UHFFFAOYSA-N
+rxn:2:108506:154346,CN1CCC(N(C)c2ccnc(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)n2)CC1,MLELGWHBTFSWAH-UHFFFAOYSA-N
+rxn:2:108572:147241,CC(NCc1cncc(N2CCN(C)CC2)c1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,PVUUWBIGEURYCQ-UHFFFAOYSA-N
+rxn:2:108623:153335,CCS(=O)(=O)c1ccc(C(Nc2cnccc2N2C(C)CCCC2C)C2CCCC2)cc1,TXBZDKKWSBBAKZ-UHFFFAOYSA-N
+rxn:2:109142:128727,CC(C)c1cc2c(c(C(CN(C)C)Nc3ccc(C4(S(C)(=O)=O)CC4)nc3)c1)OCCCC2,QOFDVQOXGVFROX-UHFFFAOYSA-N
+rxn:2:109150:126442,CCC(N[C@@H](c1cccc(S(C)(=O)=O)c1)C1CC1)c1cnc(N2CCCCCC2)c(C)c1,ZTYNBCUHOBWOTK-WUBHUQEYSA-N
+rxn:2:109150:95340,CCC(N[C@@H](c1cccc(S(C)(=O)=O)c1)C1CC1)C1CCN(C2CC2)C1,TYRVQQPPPQQEMC-FBPXKMNZSA-N
+rxn:2:109339:112188,CC(C)(C)C#CC(NCC1CC2(CCC(C)(C)CC2)C1)c1ccccc1,YGGQVZLPIWXKGI-UHFFFAOYSA-N
+rxn:2:110003:141782,CC(CC(C)(C)S(C)(=O)=O)Nc1ccc(N2CCC(N(C)C)CC2)nc1,GVROYTMKDMUCBY-UHFFFAOYSA-N
+rxn:2:110003:147241,CC(Nc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,IJZQXZMBGRHBAB-UHFFFAOYSA-N
+rxn:2:110003:155159,CN(C)C1CCN(c2ccc(NC(CC3=NCCO3)c3ccc(S(C)(=O)=O)cc3)cn2)CC1,RQHHVBLHJLDPAT-UHFFFAOYSA-N
+rxn:2:110185:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(Cc1ccccc1)N1CCCC1,AXHPKOMLLIQESL-UHFFFAOYSA-N
+rxn:2:110503:113888,CCC(NCC(c1ccc(SC)cc1)N(C)C)C1CCN(C(C)C)CC1,PMWXLPJKZVHXPI-UHFFFAOYSA-N
+rxn:2:110715:120057,CC(Nc1cc(CC(C)(C)C)nn1C1CCCCC1)c1ccc(C#C[Si](C)(C)C)cc1,XGQWFQUINQQGKE-UHFFFAOYSA-N
+rxn:2:110935:156370,CC(CCCc1nc2ccccc2c(=O)[nH]1)NCC(C)C(C1CCN(C)C1)N(C)C,FHHLPEZBQWBJKI-UHFFFAOYSA-N
+rxn:2:111498:141967,CC1(C)C(C[Si](C)(C)C)CC1NCCC(c1ccccc1)N1CCCC1,GIZVYNGPKYIWPO-UHFFFAOYSA-N
+rxn:2:111580:147317,Cc1ccc(S(=O)(=O)C(C)C)c(C(C)NC2CCN(c3ncc(C4CCN(C)C4)cn3)C2)c1,CUFVXDLUACNNKY-UHFFFAOYSA-N
+rxn:2:111680:107703,COc1ccc(C(CS(C)(=O)=O)NC(c2ccccc2)C(C)N(C)C2CCCCC2)cc1,VJXVQEPLJDBMDT-UHFFFAOYSA-N
+rxn:2:111916:107703,COc1ccc(C(CS(C)(=O)=O)NCC2(Cc3ccc4c(c3)OCO4)CCN(C)C2)cc1,WJIVYOWWMZCHGQ-UHFFFAOYSA-N
+rxn:2:112693:151867,CC(NCC1CC(C)(C)CC(C)(C)C1)c1ccc(-c2ccc(N(C)C)cc2)c2c1OCO2,LRRXYPUKPJBFNG-UHFFFAOYSA-N
+rxn:2:112827:161224,CCC(CC)n1nc(C2CCC2)c(C)c1NC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C,PPMPEWPSZNEVLY-FDAWAROLSA-N
+rxn:2:112827:161879,CCC(CC)n1nc(C2CCC2)c(C)c1NC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C,PPMPEWPSZNEVLY-UHFFFAOYSA-N
+rxn:2:113175:147241,CC(NC1CCN(c2nc(C3CC3)nc3c2CCC3)C1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,AVJCWIMPRYGWGU-UHFFFAOYSA-N
+rxn:2:113233:143818,Cc1occc1CN(C)CC1(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCCC1,JYFZGGWHBUEFPK-UHFFFAOYSA-N
+rxn:2:113238:144460,CCC(NC1(c2nc(C(C)C)cc(=O)[nH]2)CCCCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,ASRGLVIYDMLJAY-UHFFFAOYSA-N
+rxn:2:113413:161224,CCC(CC)n1nc(C)c(C2CCC2)c1NC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C,JQMUEMIVTXHAEY-FDAWAROLSA-N
+rxn:2:113413:161879,CCC(CC)n1nc(C)c(C2CCC2)c1NC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C,JQMUEMIVTXHAEY-UHFFFAOYSA-N
+rxn:2:113527:154346,CN(C)C1CCN(c2nccc(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)n2)CC1,KISCMBXTADFEHY-UHFFFAOYSA-N
+rxn:2:113632:157049,CN1CCN(c2cc(NC3CC4(CS(=O)(=O)C4)Oc4ccccc43)nc(C3CC3)n2)CC1,QUVPNZDVTJYHEO-UHFFFAOYSA-N
+rxn:2:114215:126600,Cc1ccc(C(C)NCC2(N(C)Cc3cnn(C)c3)CCN(C)C2)c(OS(=O)(=O)F)c1,NEIKMSZARYFNAA-UHFFFAOYSA-N
+rxn:2:114223:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCC(c2ccco2)N2CCSCC2)cc1,SVMAULXFRCWMQU-UHFFFAOYSA-N
+rxn:2:114494:162583,CC1CCC(N(C)C(CNC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)c2ccco2)CC1,RVPQWPSKPJPRAB-UHFFFAOYSA-N
+rxn:2:114498:97286,CCC(CN1CCC(N(C)C)CC1)NCc1cncc(N=S(C)(C)=O)c1,VVPFCUJGCOHJFY-UHFFFAOYSA-N
+rxn:2:114712:111528,Cc1c(C(C)S(C)(=O)=O)nn(C)c1NC(c1ccc(CN2CCN(C)CC2)cc1)C1CC1,NZAUYRZQXKFWAT-UHFFFAOYSA-N
+rxn:2:114795:78954,CC(C)(C)C(NC(C#C[Si](C)(C)C)CCc1ccccc1)C1CCCC1,FFBFWKMZZFSNQA-UHFFFAOYSA-N
+rxn:2:115777:154346,CN1CCC(N(C)c2ccnc(CCNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)n2)CC1,ICMRXHXTUWTJNF-UHFFFAOYSA-N
+rxn:2:116099:137294,CCC(Nc1c(S(C)(=O)=O)cnn1CCN(C)C)c1ccc(N2CCC(F)CC2)cc1,NHLMAQKTACSSKI-UHFFFAOYSA-N
+rxn:2:116099:80541,CC(C)CC(Nc1c(S(C)(=O)=O)cnn1CCN(C)C)c1cccc(N2CCCCC2)c1,NIIMIPQJTACIJM-UHFFFAOYSA-N
+rxn:2:116121:154346,CCN1CCN(c2cc(C)c(CNC(c3cccc(S(C)(=O)=O)c3)C3(C)CC3)cn2)CC1,DLQORATXZHMYNS-UHFFFAOYSA-N
+rxn:2:116247:154346,CN(Cc1cccnc1)C1CCCCC1CNC(c1cccc(S(C)(=O)=O)c1)C1(C)CC1,TZNHVTILMJAABH-UHFFFAOYSA-N
+rxn:2:116247:163743,CN(Cc1cccnc1)C1CCCCC1CNC(c1cccc(S(C)(=O)=O)c1)C1CCC1,OAXFCLMJPZEECP-UHFFFAOYSA-N
+rxn:2:116286:147241,CC(NCc1cccnc1N1CCCCCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,HABCOONKINLNKY-UHFFFAOYSA-N
+rxn:2:116433:142268,CS(=O)(=O)c1cnc(NC(C#CN2CCOCC2)c2ccc3c(c2)OCO3)nc1C1CC1,SWUOWKWNHXGGTR-UHFFFAOYSA-N
+rxn:2:116433:161891,Cc1ccc(C)c(C(C#CN2CCN(C)CC2)Nc2ncc(S(C)(=O)=O)c(C3CC3)n2)c1,VMHRXPGPXIMIQC-UHFFFAOYSA-N
+rxn:2:116481:169089,CCCCCC(NC1CCC(C(C2CCOCC2)N(C)C)CC1)c1c(C)[nH]c2ccccc12,BIIZWEDHRJVIBG-UHFFFAOYSA-N
+rxn:2:116492:147241,CC1CCN(c2cc(NC(C)c3ccc(OC4CS(=O)(=O)CC4N(C)C)cc3)nc(C3CC3)n2)CC1,SSHOISSZKXQOPJ-UHFFFAOYSA-N
+rxn:2:116592:101788,CCN1CCN(c2nc(C)c(C(C)Nc3cccc(S(=O)(=O)CCN(C)C)c3)c(C)n2)CC1,GKYGIKPISYGCLH-UHFFFAOYSA-N
+rxn:2:116892:147241,CC(N[C@H](c1cccnc1)C1CCCC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,ZXAYPDDFEZEGFJ-CUNDFEEGSA-N
+rxn:2:117003:75187,CCN(C)C1(CNC(CCCCC(C)(C)C)c2ccccc2)CCCC1,SWZLKEXISOQFGH-UHFFFAOYSA-N
+rxn:2:117326:154999,CC1(C#C[Si](C)(C)C)CCCCC1NCC1C(c2cnc3cc[nH]c3c2)C1(F)F,MHZRBZXDOAHUQX-UHFFFAOYSA-N
+rxn:2:117390:107703,COc1ccc(C(CS(C)(=O)=O)NC2(CN(C)Cc3ccc4c(c3)CCCO4)CC2)cc1,ZCXUAULQYSWSNP-UHFFFAOYSA-N
+rxn:2:117503:169089,CCCCCC(NC1CC(C)(C)Cc2c1cc(C)n2C1CCCC1)c1c(C)[nH]c2ccccc12,PWGUPUFYMRJVPZ-UHFFFAOYSA-N
+rxn:2:117576:170915,CC1(C)CC(NC2CCC(C)(C)c3ccc(-c4cccc(C5CC5)c4)cc32)C(F)C(C)(C)C1,MZYJYMCGBJXHTL-UHFFFAOYSA-N
+rxn:2:117602:168895,CS(=O)(=O)c1cccc(-c2ccc3c(c2)OCC3NCCCCN2CCC(F)(F)CC2)c1,PRLXCBOOOAERDQ-UHFFFAOYSA-N
+rxn:2:117825:78954,CCOCC1CCCN(c2ncccc2NC(C#C[Si](C)(C)C)CCc2ccccc2)C1,JOVPSTJKTNXSCG-UHFFFAOYSA-N
+rxn:2:118714:146977,CC(NCCN1CCC(S(C)(=O)=O)CC1)c1ccccc1-c1ccnc(N2CCN(C)CC2)c1,UPORVMLZDKXCIW-UHFFFAOYSA-N
+rxn:2:118714:164011,CC(NCCN1CCC(S(C)(=O)=O)CC1)c1ccccc1-c1cncc(N2CCCCC2)n1,LCGBYSQFVDPECS-UHFFFAOYSA-N
+rxn:2:118714:170273,CCC(NCCN1CCC(S(C)(=O)=O)CC1)c1cccc(-c2ccc(N3CCCCC3)nc2)c1,GSCRVFGBATWFKX-UHFFFAOYSA-N
+rxn:2:118851:79791,CCC(CCC1CCN(C)CC1)NC(CS(C)(=O)=O)c1ccc(SC)cc1,HWDYWRQBRAINOG-UHFFFAOYSA-N
+rxn:2:119493:172858,Cc1ccc(-c2ccc(N3CCCCC3)nc2)c(C(C)Nc2c(S(C)(=O)=O)cnn2C2CCCOC2)c1,DWOOGQYBCVDKKG-UHFFFAOYSA-N
+rxn:2:119584:89208,CC(CCS(C)(=O)=O)NCC#Cc1cccc(CN2CCN(C)CC2)c1,GFQZMXDAOKXJGB-UHFFFAOYSA-N
+rxn:2:119659:149117,CCc1c(C2CCC2)nn(C2CCCCC2)c1NC(c1ccn(S(=O)(=O)c2ccccc2)c1)C1CC1,BUFDOIPGTQGPOI-UHFFFAOYSA-N
+rxn:2:119716:142624,CC(NCC1(S(=O)(=O)C2CCCC2)CC1)c1cc2c(cc1-c1cnn(C)c1)OCCO2,IYEQWEJBCQJWGB-UHFFFAOYSA-N
+rxn:2:119720:166079,CC(Nc1cc(CN2CCOCC2)n(C)n1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,MXMQYKULOJGQFO-UHFFFAOYSA-N
+rxn:2:120116:131663,Cc1cccc(C(CCS(C)(=O)=O)N[C@@H](c2ccc(N3CCCC3)cc2)C2CCCC2)c1,ITRWTNUBLNRZTD-SSYAZFEXSA-N
+rxn:2:120418:147241,CC(NC1(C)CCN(c2ccc3c(c2)OCCO3)CC1)c1ccc(OC2CS(=O)(=O)CC2N(C)C)cc1,DQQNVAJFZVSYDP-UHFFFAOYSA-N
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