Added 191 molecules from epoch 17570 for Q92769

Q92769_molecules.csv

@@ -29934,3 +29934,194 @@ FD6AEED22B0DE2C6_1900041B578A5BB3_6031_UN,O(C(=O)C1=C(N=CC(=C1)Cl)F)CCCNC(=C2N=C
 FE07650565599FA2_FDEC4603DD67DC95_6031_UN,CCN2C=C(C(=O)OCC1=CC(=NO1)OC)C(=O)C3=C2C=C(C(=C3)Cl)N4CCN(C)CC4,NOMPUURJLROABP-UHFFFAOYSA-N
 FEDCDBBE02E7F0D7_0FBA80220E82ED49_6034_UN,CC1=CC=C(C=C1)CN2C(=CC(=O)N(C2=O)CC3=C[N](N=C3OC)C)N,XIBYSUDRUDRGAT-UHFFFAOYSA-N
 FFB819FA28659604_1BFE4455619FB8EA_6038_UN,CC2=C1C(=C[NH]C1=CC=C2)CCNC(=O)C3=NN(C(C=C3)=O)CC4=CC=CC=C4,SYSJBMZRVYOPKV-UHFFFAOYSA-N
+rxn:2:100129:120702,CC(C)C1C(F)(F)C12CCC(NC1CCCC1N(C)CCC1CCN(C)C1)CC2,WYEQTZSMRQOZKP-UHFFFAOYSA-N
+rxn:2:101955:167576,CN1CCC(CC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C2CCCC2)CC1,AXFHARIOJUQMTP-UHFFFAOYSA-N
+rxn:2:102075:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(OC)c(OCC(C)C)c1,WPTYBUAQVZZKEM-UHFFFAOYSA-N
+rxn:2:102236:144085,CCN1CCc2c(cc(C(C)NCc3nccnc3N3CCCCCC3)c(=O)n2C2CC2)C1,QKWSKQSLTVHSDS-UHFFFAOYSA-N
+rxn:2:103354:122694,CC1(C)CC(NC2COc3ccc(C(C)(C)C)cc3OC2)CC2(CC2)C1,GBHKINRLYVGCRY-UHFFFAOYSA-N
+rxn:2:104680:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc(=O)n(C(=O)C(C)C)o1,ZLVXRSXVFWSCJG-UHFFFAOYSA-N
+rxn:2:105086:139818,CC(N[C@H]1CC[C@@H](CN2CC(C)(F)C2)CC1)c1c(C2CC2)cnn1C,OOPKCJSOBKQDDR-YHKVIRHGSA-N
+rxn:2:105269:115540,CCCC(CC)n1c(NC(CCOC(C)C)C(C)(C)C)cc(=O)[nH]c1=O,OCWTWQVRFAOMCM-UHFFFAOYSA-N
+rxn:2:105851:120702,CC(C)C1C(F)(F)C12CCC(Nc1c(N=O)c(=O)n(C)c(=O)n1C)CC2,APHLWKOQJCVKTL-UHFFFAOYSA-N
+rxn:2:106047:119754,CCC1C(F)(F)C12CCC(Nc1cnc(N3CCC(CN(C)C)CC3)c(C)c1)CC2,OBIBHBKQKJVBSA-UHFFFAOYSA-N
+rxn:2:106356:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c3c(nn2CC2CCCCC2)CCN(C)C3)cn1,OYUBNZLEOMLEOJ-UHFFFAOYSA-N
+rxn:2:106953:140202,CC(NC(C1CCCCC1)C1CCCCC1)c1ccc(OS(C)(=O)=O)cc1,LITRYHJBNLHKQS-UHFFFAOYSA-N
+rxn:2:107114:151416,COc1cc(C2CCN(C)CC2)ccc1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,AVOBROKFXZAUKG-UHFFFAOYSA-N
+rxn:2:107530:167576,CC(C)C1CCCN1C1CCCC1CCNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,HDFUMTSNKXTVAB-UHFFFAOYSA-N
+rxn:2:109324:122694,CC1(C)CCC2(CC(NC3COc4ccc(C(C)(C)C)cc4OC3)C2)C1,SLBCZTWRORSKED-UHFFFAOYSA-N
+rxn:2:109523:115428,COC1C(C)C(NC2CCCC2c2ccc(C(C)(C)C)cc2)C12CCC2,PYQPVHNPZAOJFU-UHFFFAOYSA-N
+rxn:2:109976:155045,F[C@H]1CCCC2(CCC(NCCC#Cc3ccc4[nH]c5c(c4c3)CCCC5)C2)C1,WYCKXYDLAIQSLB-XHHNVCIESA-N
+rxn:2:111725:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCC3CC2CN3C2CCCCC2)cn1,ADGVWQRURHSEOM-UHFFFAOYSA-N
+rxn:2:112100:166041,COc1ccc(C)cc1CC1(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)CC1,ZPAYPNBUBYHITF-UHFFFAOYSA-N
+rxn:2:112343:166005,Cc1c(CN2CCCSCC2)cccc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,BQSYWCYDDOODIU-UHFFFAOYSA-N
+rxn:2:112542:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCC3)nc2C2CCCC2)cn1,XHFYOANKNGBQJR-UHFFFAOYSA-N
+rxn:2:113096:133064,CCc1ccc2c(c1)C(N[C@@H](c1ccc3c(c1)OCCO3)C1CCCCC1)C(OC)CO2,ZGUXYVJSTWAYHB-WTGGTCQISA-N
+rxn:2:113378:153994,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1sccc1-c1c[nH]c(=O)c2ncn(C)c12,AJTXYOFVGYYSSE-UHFFFAOYSA-N
+rxn:2:114717:155396,CC(=O)c1ccc(C2C(CSC(C)NC3C(=O)SC34CCC4)C2(F)F)nc1,JEAITLHCBBSOJF-UHFFFAOYSA-N
+rxn:2:114977:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCC3)nc2C2CCC2)cn1,DCBZIUZXKMIBPF-UHFFFAOYSA-N
+rxn:2:115218:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(c3cc4c(nn3)CCC(C)C4)CC2)cn1,AZHHHLYJPKYJJO-UHFFFAOYSA-N
+rxn:2:115387:167576,CC1CCCC(C)C1N1CCC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1,FLOMSNZUAOFXLZ-UHFFFAOYSA-N
+rxn:2:116166:164312,CC(NC(C1CCCC1)C1C2CC3CC(C2)CC1C3)c1ccccc1-c1nc2nc[nH]c2c(=O)[nH]1,OLLFVFGMDOXNKX-UHFFFAOYSA-N
+rxn:2:117066:117719,CC(Nn1c(CC2C3CC4CC(C3)CC2C4)n[nH]c1=O)c1ccc(OS(=O)(=O)[O-])cc1,AMUGYPIALSCJLH-UHFFFAOYSA-M
+rxn:2:117178:167576,CCN(C1CC1)C1CCCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,WSJNNWIDAHIOLX-UHFFFAOYSA-N
+rxn:2:117900:131860,CC1CCC2CC(NC(c3ccc4c(c3)CCO4)C(C)(C)C)CCC2C1,ZMKSESJRUORDOD-UHFFFAOYSA-N
+rxn:2:118405:167576,CC1CN(C2CCCCCC2NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CCO1,KFEQDXOJZCRBCT-UHFFFAOYSA-N
+rxn:2:119530:119754,CCC1C(F)(F)C12CCC(NCc1ccc(C)nc1N1CCC(N(C)C)CC1)CC2,RQEZKLWVKZBXAK-UHFFFAOYSA-N
+rxn:2:119754:136211,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C1CC1)nn3CCN(C)C)CC2,AFIDTNCIXCCSSE-UHFFFAOYSA-N
+rxn:2:119882:167576,CN1CCC(CN2CCCC(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)C2)C1,GUUDZSKSGWXTFJ-UHFFFAOYSA-N
+rxn:2:120556:123092,COCCc1cc(N2CCC(NCc3cccn(CCN4CCCC4)c3=O)CC2)ncn1,NQWKRADASHUDGM-UHFFFAOYSA-N
+rxn:2:120574:172800,Cc1cc(-c2cccc3c2OCO3)c(C)c2c1CCCC2NC12CCCC1CS(=O)(=O)C2,VHYFIJPNINCYGU-UHFFFAOYSA-N
+rxn:2:120592:151726,COCCN1CCN(c2ncccc2NC(C)CC2c3c(cc4c(c3OC)OCO4)CCN2C)CC1,ALTSHVVFYSNMLP-UHFFFAOYSA-N
+rxn:2:120592:164467,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,UZTLXIHXFRQYFZ-UHFFFAOYSA-N
+rxn:2:120791:166041,COc1cccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c1COC1CC1,SEYXTDXBDKMVTG-UHFFFAOYSA-N
+rxn:2:121929:167576,CCC(C)C(CN1CCCCCCC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,PEANLMMONYDKQZ-UHFFFAOYSA-N
+rxn:2:124635:167576,CC(C)CC(CN1CCCCCCC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,VDFLDNCOAUKCAE-UHFFFAOYSA-N
+rxn:2:124641:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cnn(C3CCCC3)c2C2CCCCC2)cn1,BQRUISITAFZHSZ-UHFFFAOYSA-N
+rxn:2:124973:157021,CCC(NC(C)c1c(-c2ccc(OC)c(OC)c2)cn[nH]c1=O)C(C)N1CC(C)OC(C)(C)C1,ZCALQBAQCAIKLB-UHFFFAOYSA-N
+rxn:2:126076:163743,CN(C)C(c1cccnc1)C1CCC(NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)CC1,JRUXMQHJRPQOEF-UHFFFAOYSA-N
+rxn:2:126098:155159,CN1CCCC(CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)C1c1cccs1,MHPDGRYGCLYNHU-UHFFFAOYSA-N
+rxn:2:126568:126600,Cc1ccc(C(C)NCc2[nH]cnc2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,NHQRHMQPFNCARM-UHFFFAOYSA-N
+rxn:2:126812:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(OCC3CN(C)CCN3C)cn1)CC2,ONNISMPBEZBQSR-UHFFFAOYSA-N
+rxn:2:127210:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cnn(CC3CCCC3)c2CC2CCC2)cn1,OZAOONJXWSUAQD-UHFFFAOYSA-N
+rxn:2:127554:122694,CCC(NC1COc2ccc(C(C)(C)C)cc2OC1)C1CC2(CCC2)C1,DABYUAHBCDKSID-UHFFFAOYSA-N
+rxn:2:127839:167576,CN1CCC(C(CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C2CCCN(C)C2)CC1,LBWMXDZTUCBJTG-UHFFFAOYSA-N
+rxn:2:128316:119754,CCC1C(F)(F)C12CCC(Nc1cccc(N3CCN(CCN(C)C)CC3)c1)CC2,VGKMUCRYZQSIOS-UHFFFAOYSA-N
+rxn:2:129056:166041,COc1cc(C)ccc1C1CC1CNC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,PVMZKYXGSHKODG-UHFFFAOYSA-N
+rxn:2:129322:151416,COc1cc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1C1CCN(C)CC1,JFRJQFFMXCJONK-UHFFFAOYSA-N
+rxn:2:130420:119754,CCC1C(F)(F)C12CCC(NCC1CN(CCN(C)C)C(C)(C)C1)CC2,BSSWMAXJHAJKPQ-UHFFFAOYSA-N
+rxn:2:131180:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCC(c3ncc(C4CCCC4)[nH]3)C2)cn1,MCLAQSZSSDGCFB-UHFFFAOYSA-N
+rxn:2:131642:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(CC3CCC3)nn2C2CCCC2)cn1,MJXCUJCUOSJHQW-UHFFFAOYSA-N
+rxn:2:131915:162039,CCOC1CCCN(c2ccc(CNC3c4ccccc4[C@H]4CN(C)CCN4c4ncccc43)cc2C)C1,RNZRUIOEMAWOAJ-AWWDORHXSA-N
+rxn:2:133421:167576,CC1COCCN1C1CCCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,VLJJYOOFTRSGGJ-UHFFFAOYSA-N
+rxn:2:134465:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CC(C2)CN(C2CCCC2)C3)cn1,RSEIHNYJTPQJKX-UHFFFAOYSA-N
+rxn:2:134936:151416,COc1ccc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1CN1CCOCC1,UYWIILBKNRHVRZ-UHFFFAOYSA-N
+rxn:2:135115:167576,CC(C)C1CCN(C2CCCCC2CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C1,KXSUPACETYHCKA-UHFFFAOYSA-N
+rxn:2:135384:167576,CC(C)C1CCC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C(N2CCCCCC2)C1,NNSDGPRCCRLULB-UHFFFAOYSA-N
+rxn:2:135536:166041,COc1cc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1COC1,QDDACMLGIVIHJP-UHFFFAOYSA-N
+rxn:2:135549:138171,CC1(O[Si](C)(C)C(C)(C)C)CC(Nc2c(OC3CCC3)nc[nH]c2=O)C1,YSCCKQNRHORFBY-UHFFFAOYSA-N
+rxn:2:135816:151416,COc1cc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1O[C@@H]1CCOC1,UFCAJPOUYRYPJA-ZOGYUUGASA-N
+rxn:2:136211:119754,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C1CC1)nn3CCN(C)C)CC2,AFIDTNCIXCCSSE-UHFFFAOYSA-N
+rxn:2:136368:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(c3cc(C4CCCC4)ncn3)CC2)cn1,RGRAZJCKDXHOAT-UHFFFAOYSA-N
+rxn:2:136932:162349,CC(NC1CC2CCC(C1)N2C1CCCCC1)c1ncc(-c2cccc(S(C)(=O)=O)c2)s1,BQFMAAOHEXWRBV-UHFFFAOYSA-N
+rxn:2:137688:133940,COc1ccc(OC)c(C(CN2CCCCC2)NCC2CC2c2ccccc2S(C)(=O)=O)c1,OUECOABGGSWLNO-UHFFFAOYSA-N
+rxn:2:137892:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCC3)nc2C2CCCCC2)cn1,GTRCQTFIWWVUSS-UHFFFAOYSA-N
+rxn:2:138351:145221,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ncc(-c2cnn(CC3CC3)c2)cn1,NZAPJRIJQQVBKC-UHFFFAOYSA-N
+rxn:2:138351:154595,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2cnc(N3CCCC3)nc2)cn1,ZIXQJJGMPJAYJB-UHFFFAOYSA-N
+rxn:2:138351:161032,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1sccc1-c1ccnc(N2CCCC2)n1,ZOWTUIRMZJGADW-UHFFFAOYSA-N
+rxn:2:138351:167285,CC(C)CCn1nccc1-c1cccc(C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)n1,HDZCPYFZYSGNBK-UHFFFAOYSA-N
+rxn:2:138546:167512,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,MYYPCWMYIPBEBT-UHFFFAOYSA-N
+rxn:2:138625:167512,CC(Nc1ccc(N2CCCN(C)CC2)nn1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,VDIVEUPJGWSSNI-UHFFFAOYSA-N
+rxn:2:139117:161229,CO[C@@H]1CCc2ccccc2[C@H]1NC1c2c(C)ccc(C)c2OCCC1CN1CCCC1,POPISOGNPPVFAE-DKARGKLUSA-N
+rxn:2:139208:167576,CN1CCC(N2CCCC(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)C2)CC1,GRIOPPRLCBLQDC-UHFFFAOYSA-N
+rxn:2:139842:166041,COc1ccc(N2CCN(C)CC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,NXSGOBKFGMWISW-UHFFFAOYSA-N
+rxn:2:140087:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(CC(C)OC)c(=O)[nH]c1=O,GPIMUUSBDXORHY-UHFFFAOYSA-N
+rxn:2:140318:157998,COc1ccc(C(NC2CCCCC2OS(C)(=O)=O)c2ccccc2CN2CCC2)cc1,IBFQGKMRSZQSJL-UHFFFAOYSA-N
+rxn:2:140318:162396,COc1ccc(OC)c(-c2cccc(OC)c2C(C)NC2CCCCC2OS(C)(=O)=O)c1,RNWRZSMSHRLOKG-UHFFFAOYSA-N
+rxn:2:140330:120702,CC(C)C1C(F)(F)C12CCC(NCCN(C)[C@H]1CCN(C)C1)CC2,DXDZYDVEZKLHAH-SGJHSXLPSA-N
+rxn:2:140389:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCC3)nc2C2CCCC2)cn1,ZHSGILIQGPMYBO-UHFFFAOYSA-N
+rxn:2:141555:167576,CN1CCCC(CC2CCC(NC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)CC2)C1,GBYSWEASKMOBHV-UHFFFAOYSA-N
+rxn:2:145673:161008,CC(C)c1nc(-c2cccnc2)cc(N2CCC(NCc3cc(=O)[nH]n3C3CCCS(=O)(=O)C3)CC2)n1,MBOPDBGUJKHGDW-UHFFFAOYSA-N
+rxn:2:147764:120702,CC(C)C1C(F)(F)C12CCC(NCC(c1ccc3[nH]c(C4CC4)nc3c1)N(C)C)CC2,BUWAPRCWQDLGMO-UHFFFAOYSA-N
+rxn:2:148103:163096,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)Nc2nc(C34CC5CC(CC(C5)C3)C4)cc(=O)[nH]2)c1,NDVJWVFYQVVEGH-UHFFFAOYSA-N
+rxn:2:66427:98744,CCCC1(CN(C)C)CCC(Nc2c(C3CCC3)cnn2CC2CC2(F)F)CC1,HUMOCLUWFXDJGP-UHFFFAOYSA-N
+rxn:2:66687:135009,CC1CCc2cc3c(cc2C(NCC(C)(C)OCC2CC2)C1)OCCCO3,FYERQZNPPAXIAR-UHFFFAOYSA-N
+rxn:2:66687:68193,CC1CCc2cc3c(cc2C(NC2CCN(CC(C)(C)F)CC2)C1)OCCCO3,UGEQGDZIMLIGMC-UHFFFAOYSA-N
+rxn:2:67875:167576,CCC(NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)C(C)N1CCCC2CCCCC21,UPYHSKXWGPHEKO-UHFFFAOYSA-N
+rxn:2:68220:120644,CCC(NCC1CC(C[Si](C)(C)C)C1)C1CCCCCC1,ZXOLIWJVRYHGJO-UHFFFAOYSA-N
+rxn:2:68399:119754,CCC1C(F)(F)C12CCC(NCC(c1c(C)nn(C)c1C)N(C)C)CC2,KEWKIIOVNSAEDK-UHFFFAOYSA-N
+rxn:2:68822:167576,CC(CN1CCN(C2CCCCC2)CC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,YIGBLWLKGWUMLB-UHFFFAOYSA-N
+rxn:2:69020:162039,CO[C@@H]1[C@@H](NC2c3ccccc3[C@H]3CN(C)CCN3c3ncccc32)COC12CCOCC2,BLFCHFKBLHTXRM-RUZNKNLNSA-N
+rxn:2:69596:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(CC)c(=O)n(COC)c1=O,UITBYQWIUTZVTF-UHFFFAOYSA-N
+rxn:2:69691:126033,CC1CCC(N2CCC(NCCCC[Si](C)(C)C)CC2)CC1,BIFHJCZDTLXUAM-UHFFFAOYSA-N
+rxn:2:70518:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCC3)nc2C2CCCCC2)cn1,KHHUJEUSOLTHAT-UHFFFAOYSA-N
+rxn:2:71027:167576,CN1CCCN(C2CCCCCC2)CC1CNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,PPRGKCUXYMDFCP-UHFFFAOYSA-N
+rxn:2:71576:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)N(C)C1CCC1)CC2,VYGWCVQFVRYTJI-UHFFFAOYSA-N
+rxn:2:72120:119754,CCC1C(F)(F)C12CCC(Nc1[nH]nc3c1CN(CCCN(C)C)CC3)CC2,MAPGJQDIPYOZKX-UHFFFAOYSA-N
+rxn:2:72475:107709,CC[C@H]1CC[C@H](C2CCC(NC3CCCc4c3cccc4C(C)(C)C)CC2)CC1,ZFSOTSBXBFBEHX-WURXVNGZSA-N
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