Added 308 molecules from epoch 16739 for P31645

P31645_molecules.csv

@@ -40353,3 +40353,311 @@ rxn:2:92192:124110,CC1CCCCC1OCc1cccc(CNC2CCSC3(COC3)C2)c1,GZRDICZBLUMUEO-UHFFFAO
 rxn:2:92192:139365,CC1CCCCC1OCc1cccc(CNC2CCN3CCOCC3C2)c1,ARBSGWXGRMYQDI-UHFFFAOYSA-N
 rxn:2:98389:79590,CC1CN(CCNC2CCCCCN3CCCCC23)CCN1C,MTEVBUZYCRCOQT-UHFFFAOYSA-N
 rxn:2:99530:110926,CCOc1ccc2c(c1)C(NCC(c1ccc3c(c1)OCCCO3)C1COC1)CCCC2,ZWHINVCJWMEHPL-UHFFFAOYSA-N
+00B8EC838788853C_ABE47B9478A9006D_6041_UN,CN(C)CCOC1=CC=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,YEFMBTRYLQPOBG-UHFFFAOYSA-N
+011010BC5F407529_1C44560BAE71CD78_7019_UN,FC1=C(C=CC=C1Cl)C=CC3=CC(=C2OCOC2=C3)C4CC4,YTUOQDSEKUZSCK-UHFFFAOYSA-N
+016CF181D986E90F_7CAB4796E0ED0414_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OC3=C2C=CC=C3)N5CCC(C4=C(OC)C=CC=C4)CCC5,SNEWGVAERJMISZ-UHFFFAOYSA-N
+01FEBF1EEBD15831_06D2CB9685DEEABA_6031_DP,O(C(=O)C1=CC=C(C=C1)NC4=NNC(=C2C=NC3=C2C=CC=C3)O4)CC67OC5(CNC5)C(C6)(N)C7,CWSKLVRANYRITL-UHFFFAOYSA-N
+03C8EE87F1B4169E_1D6F3FCC1615CF01_6041_UN,ON=CC1=C(C=CC(=C1)[N](=O)=O)NCC2=C(CC)C=CC=C2CC,NJKXTMSSQNBJRC-UHFFFAOYSA-N
+042C1BF54DDB20C6_0C76029A68753D49_6035_UN,O(C1(CNC1)C2=CC=CC=C2)C4=C3C=C(C=CC3=CC=C4)Br,WGWURYRRLZWKIM-UHFFFAOYSA-N
+047CB18C0645EA36_6D471E9A437A7066_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=CC(=C(C)C=C4F)Cl)(=O)=O,GYNPQMKASYTTOG-UHFFFAOYSA-N
+06296017CE2E6E3B_E2F17C888CAF902B_7022_DP,C2(=C(C=C1C=CC=CC1=C2)Cl)OC3(CNC3)C4=CC=CC=C4,CCCZMFFIWKGFMY-UHFFFAOYSA-N
+0810187ED8733CCE_A5B1E871359BCFC6_6029_DP,N2C(CN[S](C1=CC(=C(C(O)=O)C(=C1)O)F)(=O)=O)C3CCC2CC3,VBAWEBUVJMUQAK-UHFFFAOYSA-N
+08752821779E8A88_F300ADAC6260F159_6041_UN,COC1=C(C=C(C=C1)N=C=O)NCCCCC2=CC=C(C=C2)[N](=O)=O,DMNAUMIIQNCZJI-UHFFFAOYSA-N
+09CDD14784EC6815_D9CCC30FBAE089F1_6031_UN,O(C(=O)C3=CC2=C1C=CC=CC1=CC=C2OC3)CC4=C(N(C)C)C=C(C=C4)Br,AEMJOHVRXDZVIO-UHFFFAOYSA-N
+0B1925119FDBF9ED_B5EBE33F6A2FC7E3_6008_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)C=CC3=CC=C([N](=O)=O)C=C3,IWFRWTCLSLJUKX-UHFFFAOYSA-N
+0B8A2C54A6AEAC33_68F10EEC2BAC86EE_7017_UN,N2([S](=O)(=O)C1=CC(=C(C=C1)F)Cl)C3CC(C#N)C2CC3,PGGNXKKGDVQJIM-UHFFFAOYSA-N
+0C6CC437DBFC77AC_B2B27587F73F1EF8_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)N4CC3=C(C=C(OC)C=C3)CC45CC5,INTQNKPIIQASME-UHFFFAOYSA-N
+0F1DB5304E76C604_DAA76A0E268DCC41_6026_UN,[S](=O)(=O)(C2=C1SC=CC1=CC=C2)N4CC3=C(C=C(OC)C=C3)OCC4,KEUGZULFSABDPC-UHFFFAOYSA-N
+0F2BA5DB6B3A7FE3_628E4DDAE7965549_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=NN=C(O3)C4=CC5=C(C=C4)OCCO5,COIBFTPIAGIUQU-UHFFFAOYSA-N
+130C505DE18E3741_5533DB91F4117680_7022_UN,COC1=CC2=C(C=C1)C=C(C=C2)NC3=CC(=CC=C3)[S](=O)(=O)N4CCOCC4,FBKJZPRSTDQFAL-UHFFFAOYSA-N
+135E98C247C2BE07_355F5FBFD0EF177D_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCC2C3=CC(=C(C=C3)F)OC)Cl,JFQANXAKXZZKKX-UHFFFAOYSA-N
+13E27DCC2E953CF7_FAE20DF58F0FB1BE_6028_UN,COC14CC2CC(C1)CC(C2N[S](C3=CC(=C(C=C3)Br)Cl)(=O)=O)C4,PARYJHCKZGYMAE-UHFFFAOYSA-N
+1473A303C98F6D5D_035D915CF6821C8A_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(O2)C=CC=C3)N5CC(C4=C(OC)C=CC=C4Cl)OCC5,USXDVKZQLYFDNW-UHFFFAOYSA-N
+15FE27627AE44B5C_62171BE4B9F3C691_7022_UN,COC1=CC2=C(C=C1)C=C(C=C2)NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCOCC4,LTABQCGBHGSYLY-UHFFFAOYSA-N
+166ACE65BBF19117_A55BD149366D8217_7022_DP,C1(=C(C2=C(C=C1)C=CC=C2)F)NC3CCNC34CCCC4,TXGKJXFZWYZXMB-UHFFFAOYSA-N
+194EE5F4D3D64D0B_6DB98204C1848413_6039_UN,CN(C)C2CCN(CCCOCCN1CC(C)CC1)CC2,XSYOEGUETRYNCU-UHFFFAOYSA-N
+1C0667536A04007F_8DAAA9A410EBBB95_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC3(CCNC3)C4CC4,NCYIUCLWTKMORL-UHFFFAOYSA-N
+1C52E1411B237495_0E3F64322A33B9A8_6039_UN,O(C1(CC1)C2CCCCC2)CC3=CC(=CC4=C3OC(OC4)C5=CC=CC=C5)F,LOVDPTPHNWJBOY-UHFFFAOYSA-N
+1CFABCA23D41B3EF_BFE80D9E49B0855F_6026_UN,[S](=O)(=O)(C1=C(C2=C(C=C1)C=CC=C2)Br)N5CC3(CCC4=C3C=CC=C4)OCC5,LMKLREDXIARPFO-UHFFFAOYSA-N
+1D6535E7B65B3F84_27A1F4883216E03A_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2(CCCC2)C3=CC=NC=C3,BFRWSOFPGGIJFN-UHFFFAOYSA-N
+1E22764906B89D86_0DB2AD6EF323794C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)N3CCCC35CC4=C(C=CC=C4)C5,HJTCHGGQLTZDLK-UHFFFAOYSA-N
+1EE248C848396093_145E9A0F1A4D93F1_6041_UN,NOCC1=CC(=CC=C1)NC2=C(OC)C=CC(=C2)[N](=O)=O,HTMXSAQLZOKOAG-UHFFFAOYSA-N
+208F27CC3B487F6C_10ED29A8FA7CF34F_6038_UN,N(C1=CC2=C(C=C1)C=CN=C2N)C(=O)C3(CC3)N=[N]#N,UMGNEFHYHPKPQF-UHFFFAOYSA-N
+209CCD3FED9F7542_AAE6A6253AED3924_6026_UN,[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4CCC3=C(C=C(OC)C=C3)C4,GDVCYTUTTNDMFT-UHFFFAOYSA-N
+20A2B4EDCC1944CD_E290ED46BC5BBA2C_6029_UN,N(C1CC2CCC(C1)C2)[S](C3=C(CCl)C=CC(=C3)Cl)(=O)=O,OFHHGKKSXXIMIV-UHFFFAOYSA-N
+21EAFCC8F0B74908_F3D6F7BFC0FACDA3_6039_UN,CCOC4CC(OCC2=CC(=C1OCOC1=C2)C3CC3)C45CCOCC5,LXPWCEPSOKAMHC-UHFFFAOYSA-N
+2211927679E9C2A5_A8CAF4B8F4EE7026_6039_UN,O(C2CC1=C(C=C(C=C1)F)C2)CC4=CC(=C3OCOC3=C4)C5CC5,QHGQYIBFQOXBFI-UHFFFAOYSA-N
+22F7B10AE4D5451F_46D926D06FB06C4C_6004_UN,CCCCCNC1=C(C=CC=N1)C2=CC(=CC(=C2)[N](=O)=O)OC,SGQKUFLUJLHODV-UHFFFAOYSA-N
+2308E154A12385D6_42AFC69CEB691239_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1)I)Br)N2C3CCC2CC(CCF)C3,KOLUMXBVBKOSRX-UHFFFAOYSA-N
+2345D817E0A5AA38_44977A1F34782584_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NC3=CC=CC4=C3CCN(C)C4,CLEAZSVPGHLQJU-UHFFFAOYSA-N
+23C348CA894FD8D0_E2971BA2DBD89185_6028_UN,COC14CC2CC(C1)CC(C2N[S](C3=CC(=C(C=C3)Cl)Br)(=O)=O)C4,YHOFHKMFYBOMHO-UHFFFAOYSA-N
+25F5AE409A110062_025D3C9D0B645866_6041_UN,CN1CCC2=C1C=CC(=C2)NCC3CCC4(C3)OCCO4,SDKCOCLTWZLASY-UHFFFAOYSA-N
+25F5AE409A110062_08EBAAE3DC453CC9_7022_UN,CN1CCC2=C1C=CC(=C2)NCC3CCC4(C3)OCCO4,SDKCOCLTWZLASY-UHFFFAOYSA-N
+27829324EA2A8083_B3BAE84B701195C0_6035_UN,O(C1(CCC1)C2=CC=CC=C2)C3=C(C)C=CC4=C3C=CC=C4,RUSIMFNRUUTFGI-UHFFFAOYSA-N
+2886F12917FD86ED_05386F2B72A15CE4_6035_UN,O(C1(CCCC1)C2=CC=CC=C2)C3=C(C)C=CC4=C3C=CC=C4,YZNQGCDIROOBTE-UHFFFAOYSA-N
+28D7B0BFDB200802_392AF4B6FE151EC0_6029_UN,COCCOC1=CC(=C(C=C1)N[S](C2=CC(=CC(=C2)CBr)Cl)(=O)=O)C,WQXRUGTYAWLWNV-UHFFFAOYSA-N
+2946E00D39C7EA6A_CB5B05F0399E7E88_6034_UN,C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CCN(C)C4CNCCC4,WGHGXUKAXJUPIK-UHFFFAOYSA-N
+29C9E845B35B32E7_BD4AD1AF706AD11D_6035_UN,O(C1(CNCC1)CNCC2=CC=CC=C2)C3=C(C=CC=C3Cl)I,LYMDCGBFJBZOKA-UHFFFAOYSA-N
+2B5BFEE9EE424B1A_00FBA2D7F2763A3D_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OC(=O)C=C2)N3CCCC35CC4=C(C=CC=C4)C5,BTAUJWQWWQAULT-UHFFFAOYSA-N
+2BF11C71E5DADD56_86B3458856D34937_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3(CC3)C4=CC=C(C=C4)Cl,CUCHCMZKMXWXSF-UHFFFAOYSA-N
+2D5E0D09020C1B2F_794395EDEBCBA492_6041_UN,FC2=C1C(=C[NH]C1=CC=C2)NC3=CC=C(C=C3)SC4CCCC4,HRCSVBYHSKFPSU-UHFFFAOYSA-N
+2E335990DC3AFC37_22673B2CDFAFCB84_6039_UN,CC1(CONC1)OCC2=CC=C(C=C2)CN3CCCCC3,AVGCSAJOYSOIJW-UHFFFAOYSA-N
+2E515B6ED596AC5E_B8CC5A2C044E4D4F_6026_UN,[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4CCC(C3=C(OC)C=CC=C3)CCC4,JMECYJAZTNKFKP-UHFFFAOYSA-N
+2F4C8D8572F11E67_6C7E52E4AC905B8B_7022_UN,C1(=C(C2=C(C=C1)C=CC=C2)F)NC4=CC=C(N3CCCN(C)CC3)C=C4,BQLVSNFOLDZNEZ-UHFFFAOYSA-N
+30C1CA65276E3F0C_3561D084EF666CE9_6035_UN,O(C1(CC1)C2=CC=C(C=C2)Br)C3=C(C=C(C=C3)C4CC4)Cl,RUUJHSHSAXSCRL-UHFFFAOYSA-N
+30C1CA65276E3F0C_8D0E253D00C7EC0B_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3(CC3)C4=CC=C(C=C4)Br,RUUJHSHSAXSCRL-UHFFFAOYSA-N
+312961A3FBBF4B0A_5072B281B70FBB51_6039_UN,CC2=C1C(CCOC1=CC=C2)OCC5CC3(CC4(C3)OCCO4)CO5,DJSHXZIWEYQVOT-UHFFFAOYSA-N
+33FABFAE41A7EB2E_3D741A69D452493B_6003_DP,N4CCC1=C(C(=CC=C1)COC3=CC2=C(OCCO2)C=C3[N](=O)=O)C4,AEJXIPVJNRKMAN-UHFFFAOYSA-N
+3445B33DBAED42B8_5560582F2C852D6B_6029_UN,C1N(CCC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=CC=C(N(C)C)C=C4)(=O)=O,UVICSCBDLKTPQY-UHFFFAOYSA-N
+355AD2C4B45A2BC4_B54E0EE24475B826_7022_DP,CC1=C(C(=CC=C1)Cl)OC2(CNC2)C4=C3C=CC=CC3=CC=C4,SNUPULOJSUOAFK-UHFFFAOYSA-N
+35DA8328AB051EFA_C573D3B923FF58F5_6038_UN,N(C1=CC2=C(C=C1)C[S](=O)(=O)C2)C(=O)C4=C3[NH]C=CC3=CC=C4,HDIFVOATBRVMAN-UHFFFAOYSA-N
+363487C6A97B1375_63F9762B853F0B17_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C4=C3C=C(C=CC3=CC=C4)Cl,ZMYDQSKFPPEBJO-UHFFFAOYSA-N
+397DC931601992D3_176CAE04936A80E2_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCC5CC3(CC4(C3)OCCO4)CO5,FTJLGNKTRYZYKL-LWKPJOBUSA-N
+3A9F63AAD013D612_793802A6B57DA5E3_6041_UN,O=[N](=O)C1=CC=C(S1)NC2=CC3=C(C=C2)OCCCO3,CCPWQDGSBIGZBP-UHFFFAOYSA-N
+3A9F63AAD013D612_95D9B11DC89A32A5_6041_UN,O=[N](=O)C1=CC=C(S1)NC2=CC3=C(C=C2)OCCCO3,CCPWQDGSBIGZBP-UHFFFAOYSA-N
+3A9F63AAD013D612_A06CD1D9E4A6736D_6041_UN,O=[N](=O)C1=CC=C(S1)NC2=CC3=C(C=C2)OCCCO3,CCPWQDGSBIGZBP-UHFFFAOYSA-N
+3AB4039931FAEB4E_8B90246EE254EBA0_6041_DP,C1(=CC2=C(C=C1)CCCC2)NC3=CC(=C(O)C(=C3)F)F,AYPPSCHBLUUJAM-UHFFFAOYSA-N
+3C03CC563C556194_CCFA84212EA92636_6041_UN,CC1=CC(=C(C=C1)NCC2=CC=C(OCCCN(C)C)C=C2)[N](=O)=O,LLKCSLPSCHHPOS-UHFFFAOYSA-N
+3C7063A028969D28_BA10B2705171043C_7015_UN,N(CC1=C2C(=CC=C1)OC=C2)[S](C4=CC=C(N=NC3=CC=C(N(C)C)C=C3)C=C4)(=O)=O,QSRUYJXZBUKVPB-UHFFFAOYSA-N
+3CB0E9C122CA65C0_12C9EA658E40F43F_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCCOC2=C(C=C(C)C=C2)C,GUPFBHRQRZTLDR-UHFFFAOYSA-N
+3DB2EECA6C03C644_BDF81EF297AA643A_6041_UN,CC1=C(C(=CC=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCOC,YVBZGOLYUDEAGX-UHFFFAOYSA-N
+3DEEC7AFA783EFCD_FF090CFA154C97D3_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=C(OC)C=CC(=C2)COC3=CC(=CC=C3)F,KBXKRERNKRGVNC-UHFFFAOYSA-N
+41F79ECA6B693199_8F5DAE156FA1DB96_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3CCSC4=C3C=CC=C4F,DIBIAJZNEXBUTI-UHFFFAOYSA-N
+4260F87DE36EB827_A373BC98A96EC822_6038_DP,S(C1=CC2=C(C=C1)C=CC=C2)C(C4CCC3(CCCN3)CC4)=O,KIIMYTGZEZWNCL-UHFFFAOYSA-N
+4290CBD9A2BCF9B7_2DF78EB9FBD67328_7019_UN,FC1=C(C=CC(=C1)Cl)C=CC3=CC(=C2OCOC2=C3)C4CC4,ODIUXNQHCLVSJR-UHFFFAOYSA-N
+43DC95AD286AF413_F91C1640E9A4405A_6035_UN,O(C1(CNC1)C2=CC=CC=C2)C4=C3C=C(C=CC3=CC=C4)Cl,YQFKOZUFRWHNCL-UHFFFAOYSA-N
+44A03F562397FD63_30D4F93CF56BF3D0_6029_UN,C1C3CC4CC(N1[S](C2=C(C=CC(=C2)O)I)(=O)=O)C3C4,OJIDFTJIABKOAV-UHFFFAOYSA-N
+46C8CC6145DE1708_E6CFF87AA4EF0D89_7019_UN,C(C1=CC2=C(C=C1)CCC2)=CC4=C([N](=O)=O)C=C3OCCOC3=C4,FNEXDCJPYSMDHN-UHFFFAOYSA-N
+46C8CC6145DE1708_EF7CC7B19498D0B5_7019_UN,C(C1=CC2=C(C=C1)CCC2)=CC4=C([N](=O)=O)C=C3OCCOC3=C4,FNEXDCJPYSMDHN-UHFFFAOYSA-N
+46EA0F8D0E0E8930_5CDB1A4A254078E9_7022_UN,C1(=CC2=C(C=C1)C=C(Cl)C=C2)NCC3=C(C=CC=C3)C[S](=O)(=O)N4CCOCC4,XQCWDAODLSVOFV-UHFFFAOYSA-N
+4993BF38E6816A9E_989651868EA58D84_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC3=CC2=C(C=C(OCC)C=C2)C=C3,WNGYLIUJCSJQMW-UHFFFAOYSA-N
+4C49FC81BD0C4647_CFF9333926D6DB46_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C4=C3C=CC=CC3=C(N)C=C4Cl,AZLJSGCIFJPMIQ-UHFFFAOYSA-N
+4F85F930D04BAC1C_A92878F20F216015_6029_UN,C1N(CC=C(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=NC=C(N(C)C)C=C4)(=O)=O,KLTQXGUTCBHEJW-UHFFFAOYSA-N
+5393168CED6C5080_898940AEC84A0B83_6035_UN,O(CCC1=C(C=C(C=C1)[N](=O)=O)Br)C3=CC=C(C2=CC=C(CN)C=C2)C=C3,DJCYFZLDRNBZQT-UHFFFAOYSA-N
+558977B93A8E83F2_63B33359C91225BE_6041_UN,FC1=C(C=CC(=C1)NC2(CC2)C3=NC=CC=N3)N=[N]#N,KIXDCRLAIWSYRL-UHFFFAOYSA-N
+5693A4D0D326060A_55549775E2307A76_6026_UN,COC1=CC(=C(C=C1)[S](=O)(=O)N2CCCC2C3=CC(=CC(=C3)Cl)Cl)C,IUNVSFXVCDZBQX-UHFFFAOYSA-N
+56C4FDAC9ACA9893_D16CCBCB8B21F342_6003_UN,O(C1=C(C2=C(C=C1)C=CC=C2)CN3CCOCC3)C4=CC=C5C(=C4)CC[S]5(=O)=O,MYAFEGYHSWPKGP-UHFFFAOYSA-N
+57C74801E89E4914_9FB4F3B7D6E1A0DB_6038_DP,N(C1=C2C(=CC=C1)C=C(C=C2)F)C(C3C5=C(C4(CN3)CC4)C=CC=C5)=O,PDXVCRHPILVTTD-UHFFFAOYSA-N
+5859C33D914CDDC6_B5BC3835E8B2943F_6031_UN,O(C(=O)[C@@H]1C[C@H]2C[C@@H]1CC2(F)F)CC4=C3N=CC=CC3=CC=C4Cl,HRIKINLLQUZTRL-JHJVBQTASA-N
+5863485CB97964C2_A71BB4C672408F4E_6039_UN,O(C1(CCCCC1)C2=CC(=CC=C2)F)CC=C3CCOCC3,BUSDDOJLLKFHSZ-UHFFFAOYSA-N
+5927816F29A10E8D_98A023587BC8122A_6026_UN,[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)N4CCC(OC3=CC=C([N](=O)=O)C=C3)CC4,KXQNLKKJPSQZBQ-UHFFFAOYSA-N
+5933B6A7763EF910_90CE7A1B56EF9D1B_6039_UN,O(CCC1CCCCC12OCCO2)CC3=CC(=CC4=C3OC(OC4)C5=CC=CC=C5)F,DPUSJORVXPJUMX-UHFFFAOYSA-N
+5A170D58D7468DF2_3E17C993562630BA_6035_UN,O(C1(CCCCC1)C2=CC=C(C=C2)F)C4=C3C=CC=C(C3=CC=C4)Br,PZOXYNPYDWBXHM-UHFFFAOYSA-N
+5ACE1232569AE6DF_BB36598FD8D5B5CC_6041_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NCCCC2=CC(=NC=C2)OC,CWDCYASTNLRXDR-UHFFFAOYSA-N
+5ACE1232569AE6DF_FB2F20D819F50C47_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NCCCC2=CC(=NC=C2)OC,CWDCYASTNLRXDR-UHFFFAOYSA-N
+5CF1A38B1F6DC58B_8710093062EDF7DD_6041_UN,C[N]1N=C(C=C1NC2(CCC2)CC3=CC(=CC=C3)F)C4CCCC4,VINCGLKZSCFKGQ-UHFFFAOYSA-N
+5D8F05D2F0A2D32C_FDC17FBA25E012B3_6038_DP,N(C1=CC2=C(C=C1)NNC2=O)C(C3=CC=CC4=C3CNCC4)=O,LYDCCJOMRPYLCM-UHFFFAOYSA-N
+5EF1C76D0EEEDEA7_2774B3D7AAE2E818_6041_UN,C[N]2N=C1CCCC1=C2NC(C)C3(CC3)[N]4C=CC=N4,NAGXSGSQMLUTIA-UHFFFAOYSA-N
+5FCE098FDB98A573_771263109ED40C93_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OC3=C2C=CC=C3)N5C(C4=CC=C(OC)C=C4)CCCC5,SEEVTMJUILNXQV-UHFFFAOYSA-N
+60578137AEBE740B_79CED73048844DB4_7022_UN,C1(=C(C=C(C=C1)C2CC2)F)OC3(CC3)C4=CC=C(C=C4)Br,ZXXIQXJSGCJJLJ-UHFFFAOYSA-N
+68535BEC411B28AB_08C21B8B42763477_7019_UN,FC1=CC=C(C=C1)CC=CC3=CC(=C2OCOC2=C3)C4CC4,CYSKKOOQRRRGQA-UHFFFAOYSA-N
+68551687211ACED4_7D06766867EBA372_6039_UN,O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CC4=CC=C(C=C4)C5CC5,GKLFZGIEYLIYTD-NRFANRHFSA-N
+6C9E23B0461A1354_2D5909BD323E038D_6005_UN,C2(=C1OCOC1=CC=C2)C3=CC(=CC(=C3)F)COC4CCCCC4,MJQYJBICOPWHSP-UHFFFAOYSA-N
+6CF63B13BF925E10_ED473E3F69035B88_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)NC3=C(OC)C=CC(=C3)[N](=O)=O,DDFPTWDLDGRUKE-UHFFFAOYSA-N
+6D75103C279F1A34_A1608EC643D205F0_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NCC4=C3C=CC=CC3=CC(=C4)F,AYFRNKNJKAASCY-UHFFFAOYSA-N
+6ED8829CE303B4AB_8FB4F3673041FAA0_6041_UN,COC1=C(C=C(C(=C1)NCC2=C(C=C(C)C=C2)C)[N](=O)=O)C,DKPNLPONKGNWID-UHFFFAOYSA-N
+6EDF81FA904611A6_87287AFE3338A3D9_7019_UN,ClC1=CC=C(C=C1)CC=CC3=CC(=C2OCOC2=C3)C4CC4,KFQFEPIPZCSGTF-UHFFFAOYSA-N
+6F76ED1DEF15DF9F_9EAC2ADA110D47F1_7022_UN,C1(=CC(=CC(=C1)F)COC2CCCCC2)SC3=CC=C(F)C=C3,JZFXTRXLAXVTPY-UHFFFAOYSA-N
+6FD01F971ED04C14_87942807E568D5AE_7019_UN,C(C1=CC=C(C=C1)C2CCCCC2)=CC4=CC(=C3OCCCOC3=C4)Cl,DIVKAZAAQCHDLH-UHFFFAOYSA-N
+72587A9C80E610E6_2B95F52396C640D4_6039_UN,O(CC1(CCCO1)C2CC2)CC3=CC(=CC4=C3OC(OC4)C5=CC=CC=C5)F,FZLSFSOIQJVFKZ-UHFFFAOYSA-N
+74D7285F3AD3A2F1_3DBC403C017220AF_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C4=C3C=CC=CC3=CC=C4Cl,GSUIUWOVFNAQAW-UHFFFAOYSA-N
+774E7646987E978A_4A36050DAF0CDD52_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC3C(CCN3)C4CC4,QILWOEVXWOQWEB-UHFFFAOYSA-N
+77E707AF544940A8_23645CA47B419088_6041_UN,CN(C)P(N(C)C)C1=CC=C(C=C1)NCC2(CCCC2)C3=CC=NC=C3,QDSFSXCUOZROPJ-UHFFFAOYSA-N
+7841923CA447F516_3508EC053A3B163D_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(O2)C=CC=C3)N5CCC(C4=C(OC)C=CC=C4)CCC5,BGKAXEGOMXHSDM-UHFFFAOYSA-N
+78E3A1BA763FE157_648A4E9DA2D0BAA1_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)OC3=C(C=CC(=C3)[S](=O)(=O)Cl)Br,JPLNEUCQHMUFPI-UHFFFAOYSA-N
+795EDA13CC33CC68_22E661F746AD438F_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N4CCC(CC3=CC=C([N](=O)=O)C=C3)CC4,AWVBJNREKPEFDP-UHFFFAOYSA-N
+79C51B76C511F041_77A0EAD2598AB7FA_6035_DP,N3CC(OC1=CC2=C(C=C1)C=C[NH]2)(C3)C4=CC=C(C=C4)Br,FWNDCBDOXILMEK-UHFFFAOYSA-N
+7B01BE8270755B19_4333B5CE38BA11CD_6035_UN,O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC=CC(=C3)CN,ZAEJNVVOEKAHPZ-UHFFFAOYSA-N
+7B01BE8270755B19_5D055B603A611B4F_6035_DP,O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC=CC(=C3)CN,ZAEJNVVOEKAHPZ-UHFFFAOYSA-N
+7E873B8B504801A7_F58511B2B755670A_6026_UN,[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4CC(C3=C(OC)C=CC=C3)OCC4,WZXDWKJIQYIMGE-UHFFFAOYSA-N
+7FDA4DA092269489_5D1733EEE193D443_6026_DP,[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)N3CCNCC34CCC4,GFDFKYVZPGBQSE-UHFFFAOYSA-N
+80ED7F6AF17EC474_D5BBE303D563ABAD_6041_DP,C1(=CC2=C(C=C1)C(=O)OCC2)NC3=CC=CC4=C3CNC4,PCOYRPPOCUQIIX-UHFFFAOYSA-N
+81831F7D5D58EB57_AC6CF27BA50B9989_6041_UN,COC1=C(C=C(C=C1)C=C[N](=O)=O)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3,SMOMWSGOGRXZOZ-UHFFFAOYSA-N
+83C45B117A699FCB_F881FC7168E15C2B_6041_UN,C[S](=O)(=O)OCC1=CC(=C(C=C1)NCC2=CC3=C(C=C2)SC=C3)F,ZBJXQJZMRYHNTE-UHFFFAOYSA-N
+844532DB1CD2E032_C63506F3DCFCA6BB_6029_UN,COC14CC2CC(C1)CC(C2N[S](C3=CC(=C(C=C3)I)F)(=O)=O)C4,NQACOMATIYOYDG-UHFFFAOYSA-N
+85F4DEFCC4E3ECD3_88AA8E033ED38B91_6038_UN,N(CCOC1=CC=C(C=C1)CC2=CC=CC=C2)C(C3=C(N(C)C)C=CC(=C3)[N](=O)=O)=O,UERAJBHNIBOGGA-UHFFFAOYSA-N
+86009B26412A4F66_5D8A7A2FA3D33E4E_6035_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=C(CC)C=C2)C,CEJMBAUILFIVQK-UHFFFAOYSA-N
+868473FA24326315_E29404703D5BB9AB_6029_UN,CN5CCC1(CCN(CC1)[S](C4=C2C=CC=CC2=C3C=CC=CC3=C4)(=O)=O)CC5,PXOGYLPRLLTIPV-UHFFFAOYSA-N
+8688697BB9540BCC_1D3892D1BB803CBF_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)CCl,DZYNJDJJCZOJRZ-UHFFFAOYSA-N
+86A6F23DDC58F7F9_76D76FB58908C7C6_6041_UN,FC2=C1CCCC1=CC(=C2)NCC3(N(C)C)CCCC3,BBQSGQRDIOYXED-UHFFFAOYSA-N
+86C0D126FC98E5AB_B7C5D5D927A642C5_6036_UN,C(C1C2CNC1CCC2)N4C(C3=C(C=C(Br)C=C3)[S]4(=O)=O)=O,FZUDHZYIVLUNGI-UHFFFAOYSA-N
+86F42302E7C70E86_660CA5EDAE562306_6026_DP,FC2=C1C=CC=CC1=CC(=C2[S](=O)(=O)NC3C5CC4C3NCC4C5)Br,IZRYSHAMLYYWDE-UHFFFAOYSA-N
+87BADC547E061B12_FD7D550FC27EDE2F_6041_DP,N3CCCC1=C(C=C(S1)NCC2=C(N(C)C)C=CC=C2)C3,RTZXSHBNEULUGJ-UHFFFAOYSA-N
+87F5E80604FAC68B_66637D22FC2A9E75_7022_UN,COC1=CC2=C(C=C1)C=C(C=C2)NC3=C(C=CC=C3)[S](=O)(=O)N4CCOCC4,YRNOWNNGMDTIOF-UHFFFAOYSA-N
+8827CF06E78528C3_0EB41C696B755601_6029_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=CC=C(C=C4)CI)(=O)=O,CWKVVNPEFVJGSP-UHFFFAOYSA-N
+8A43189ECB26941E_15489EDD46FA1BCC_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)NC3CCCCC3N(C)C,BIAXJSVVVLXCPV-UHFFFAOYSA-N
+8B0D3CDB50044CF8_9CA04390564DF20B_6041_DP,C[N]2N=C1CCCC1=C2NCC4=C(C3CNC3)OC=N4,NOMXSHKLKWTYMZ-UHFFFAOYSA-N
+8C016D0BE60ED3CD_62AB2C9C5D379056_6039_UN,O(C1(CCC1)C2=CC=C(C=C2)F)CC=C3CCOCC3,AYHQFGZKQNOYPW-UHFFFAOYSA-N
+8C092CC117F020D7_F4870878D9DA231F_6026_UN,[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4CC(C3=CC=C(OC)C=C3)CCC4,RAUURJPLTYEXDA-UHFFFAOYSA-N
+8CEF6DE50395BEBB_AD44CF14C36E47DB_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)NC3=C(C=CC(=C3)N4CCOCC4)[N](=O)=O,WXHLNLZDTOCDPB-UHFFFAOYSA-N
+8CFD5E5597F5C7CB_17D84BFC296C534B_6039_UN,O(C1(CCC1)C2=C(C=CC=C2)F)CC4=CC(=C3OCOC3=C4)C5CC5,OXGMIUMPPKWKLQ-UHFFFAOYSA-N
+8D0C3B1078484011_989C42663B600627_7022_UN,C2(=C1OC=CC1=CC=C2F)OC3(C)CCC4=C3C=CC=C4,FNIIBAVCSYNPKQ-UHFFFAOYSA-N
+8EA30A8A2048C9A8_819E0B1C2BF91BF5_6029_UN,C1C5=C(C2(O1)CCN(CC2)[S](C4=C3C=CC=CC3=CC(=C4)C#N)(=O)=O)C=CC=C5,KZAPUIBGAPIVMV-UHFFFAOYSA-N
+908F47BF13FA2F3A_919259765858D5BA_7022_DP,CC1=C(C(=CC=C1)F)OC2(CNC2)C4=C3C=CC=CC3=CC=C4,FGPUGCINXJLJSL-UHFFFAOYSA-N
+9094E8EBF933F546_A571CEDA0CA067FF_6041_UN,FC2=C1[NH]C=CC1=CC(=C2)NC3=CC=C(C=C3)SC4CCCC4,WTPGQMNWXSGJNT-UHFFFAOYSA-N
+911D4881F1517E3E_19625224BEACA901_6029_UN,N(N1CCCCC1)[S](C4=C2C=CC=CC2=C3C=CC=CC3=C4)(=O)=O,VUXNDIVVUMSMOL-UHFFFAOYSA-N
+934FD4BE0EE35237_5FDD77ED8C763938_6035_UN,O(C1(CNCC1)CNCC2=CC=CC=C2)C3=C(C(=CC=C3)F)I,JOIQYNYESJZGFU-UHFFFAOYSA-N
+93E4855B5990D6BB_E84ECD723ACD5ACC_6039_UN,O(C1(CCCCC1)C2=CC=C(C=C2)F)CC=C3CCOCC3,XVBSDVCTBSJLIT-UHFFFAOYSA-N
+960B1D368A393E8E_4835D85C5BE20EC9_6041_DP,N3CCC1=C(C=C(S1)NCC2=C(N(C)C)C=CC=C2)C3,BMOFRAXAMYZMNO-UHFFFAOYSA-N
+966436758C217607_A77575F58DBEC3B4_6026_DP,[S](=O)(=O)(C1=C[NH]C2=C1C=CC(=C2)Br)NC3C5CC4C3NCC4C5,DOFPCNSOTUKSSS-UHFFFAOYSA-N
+96A6865F73287D95_CC67B59878E1C703_6029_UN,N(C1=C(C=CC=C1)CN2CCOCC2)[S](C3=CC=CC(=C3)C4=NC(=NC5=C4C=CC=C5)Cl)(=O)=O,MLBFQXXVXRABKS-UHFFFAOYSA-N
+96C3C56F40DC1278_6FC0644390AE4716_6029_DP,N1C3CCC1CC(N[S](C2=CC(=C(C(O)=O)C(=C2)F)F)(=O)=O)C3,DROLSFCNBGOMHK-UHFFFAOYSA-N
+975A04144AEEC74D_D6A4FB0A881BDD11_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=C(C=C(OCOC)C=C4)F)(=O)=O,SPZYPBFCIDEXSV-UHFFFAOYSA-N
+97D071363CD6DF82_5120B3C30A7DD471_6039_UN,CN(C)CC1CCCCC1OCCCN2CCN(C(C)C)CC2,HOEZATHFGINUKQ-UHFFFAOYSA-N
+98BB7DD5FBBBC28F_F91D7749F761D71B_6029_DP,N1C3CCC1C(N[S](C2=CC(=C(C=C2)I)F)(=O)=O)CCC3,PEBAXZXYGUQFAP-UHFFFAOYSA-N
+9B2772C4F17E1D0D_003E91C9E2E15257_6035_UN,O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C5=C4C=CC=C(C4=CC=C5)Br,UPPJISHTJXSYRM-NRFANRHFSA-N
+9BB4E176CD755D9A_74F080BE2A642BF6_6041_DP,O=[N](=O)C1=C(C=CC(=C1)NC3=CC2=C(CCNC2)C=C3)C#N,KTTJLLJOLWKERE-UHFFFAOYSA-N
+9C09D642F880EDF9_D77E12B075114802_6038_UN,N(C1CC=C(CC1)C2=CC=C(C=C2)F)C(=O)C4=C3[NH]C=CC3=CC(=C4)F,IPUOFSPQMCYWQX-UHFFFAOYSA-N
+9D1A1A2ADCCA225B_E59743B6134D13A7_6038_UN,CCCOC1=C(C=C(C=C1OC)CCNC(C2=C(C=C([S](N)(=O)=O)C=C2)F)=O)OC,MUAZTONXVXJPQX-UHFFFAOYSA-N
+9DD7DEA85806D3F4_DDE2489F6CA1ED09_6034_UN,CN(CC1=CC=CC=C1)C3=NC2=C(C=CC=C2)N3CC4(F)CNCC45COC5,OKSGAUPYVODQRH-UHFFFAOYSA-N
+9E80048B4B4591ED_2427BA4E0B797464_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C5=CC=C4C=CC=CC4=C5Cl)(=O)=O,WSKKOSTWYBAIMA-UHFFFAOYSA-N
+9E815A493AA7F363_A0ED50DAA1A978C6_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2(CCC2)C3=C(C=NC=C3)F,HLGMQTODIHJAEJ-UHFFFAOYSA-N
+9F1F200B53B590AE_D449BB8EF7A0D0DF_6041_UN,CC1=CC2=C(C=C1)[NH]C=C2N[CH]4C[C]3(C[CH](N(C)C)C3)C4,DARKTKYSGKTIAC-UHFFFAOYSA-N
+9F7BD2F68E7223EB_E8267D6BB489B654_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Cl)C3=CC=CC(=C3CN)Br,HNUJUQDAMLFRGF-UHFFFAOYSA-N
+A017B36F526616A7_8FF753B8ECFC4FD1_6041_DP,N1CCC(CC1)OCC2=CC(=CC=C2)NCC3(CCNC3)C,NURJXMZXGJXRPL-UHFFFAOYSA-N
+A07C87A4FD0ADBC4_688335E1BB21AE73_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NC5=CC4=C(C=C(N(C)C)C=C4)C=C5)N6,VVOGVRPEMOROAS-UHFFFAOYSA-N
+A1A90C60AFE8FEC7_2A5F8691C74F76A7_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Cl)C4=C3C=CC=CC3=CC=C4Br,CRPFXUFBQMUGEC-UHFFFAOYSA-N
+A1F64FF1106A86A0_BC9A3DED9ADBF76F_6039_UN,O(CC1=CC=C(C=C1)C2(F)COC2)CC3CC4(CO3)CCOCC4,VJCVLVDVFPLGDH-UHFFFAOYSA-N
+A1F64FF1106A86A0_E4BEBB43A064F512_6039_UN,O(CC1=CC=C(C=C1)C2(F)COC2)CC3CC4(CO3)CCOCC4,VJCVLVDVFPLGDH-UHFFFAOYSA-N
+A30FE82A06FEB458_C66CE289254E6F1F_6039_UN,O([C@H](C1CCCC1)C2=CC(=CC=C2)F)CC4=CC(=C3OCOC3=C4)C5CC5,VVSVQYGMOSTNRA-JOCHJYFZSA-N
+A4EE6EC410C58506_BC5C6F6B4EB7804B_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CCC2C3=CC(=C(C=C3)F)OC)F,HGRBHUDWGVBRSI-UHFFFAOYSA-N
+A75B94718E5D8385_A113A8BB481FE714_6041_UN,CN1CCC2=C1C=CC(=C2)NC4=C3C=CC=CC3=NC5=C4OCCO5,FTKGDVBHRPWRPG-UHFFFAOYSA-N
+A75B94718E5D8385_ABA53EC59F3E83BB_7022_UN,CN1CCC2=C1C=CC(=C2)NC4=C3C=CC=CC3=NC5=C4OCCO5,FTKGDVBHRPWRPG-UHFFFAOYSA-N
+A7DD0A14478256B0_1DD57AA3565127E8_6029_UN,C1[C@H]2CN([C@@H](C1)C3=C2C=CC=C3)[S](C4=CC=C(C(F)=C)C=C4)(=O)=O,QCBOXHDTEFPWJI-KXBFYZLASA-N
+A945723EE99A984B_4668B56D27A94229_6041_UN,CN1CCN(CC1)C6=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=CC=CC5=C4OC(N5C)=O)N6,ULCATCBTEOHBQG-UHFFFAOYSA-N
+AD75EA584D124666_4BE5E88CB32C0D82_7022_UN,CN1CCC2=C1C=CC(=C2)NC3=NN=C(O3)C4=CC5=C(C=C4)OCO5,GENKJUJELHMQOR-UHFFFAOYSA-N
+ADC4CD497E28C442_0B1CFEF3360E8ED2_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3,HKBWUBLZZVBQGR-UHFFFAOYSA-N
+ADC4CD497E28C442_4B0587A4F72E3759_6041_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3,HKBWUBLZZVBQGR-UHFFFAOYSA-N
+B0DB832C80D9EF68_116220C0D4E2BE0F_6028_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=CC(=C(C)C=C4Cl)Cl)(=O)=O,MZGMZQJDZHKFPZ-UHFFFAOYSA-N
+B18F10627AD3A42F_7BB60863B0D2B3E4_6026_UN,CN(C)C1=CC(=C(C=C1)Br)[S](=O)(=O)NC2=CC4=C(C=C2)N=C(CC3=CC=CC=C3)O4,IGKYJPHKPWDFNK-UHFFFAOYSA-N
+B1B6970C26393562_5D06A44A9445648D_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC3=C2OCCC2=CC=C3)C#N,ANBSMNHRVUUIEJ-UHFFFAOYSA-N
+B1B6970C26393562_BD5E0214596DF7EA_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC3=C2OCCC2=CC=C3)C#N,ANBSMNHRVUUIEJ-UHFFFAOYSA-N
+B27EB98456F01055_FF721CC25CADF8AD_6041_UN,CN1CCN(CC1)C5=C2C=CC=CC2=NC3=C(C=C(C=C3)NC4=CC=C(N(C)C)C=C4)N5,BONVRCFBHMTARR-UHFFFAOYSA-N
+B38C1453AB9A44FB_767845ACFBD9DAD0_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=C(OCCN(C)C)C=C2,QQOJEAWPHPVTBF-UHFFFAOYSA-N
+B38C1453AB9A44FB_F5C34FDC59895D8B_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=C(OCCN(C)C)C=C2,QQOJEAWPHPVTBF-UHFFFAOYSA-N
+B4EF6813DAB9B41B_915F002041CC6AB5_6034_DP,CN(C)C2=CC1=C(C=CC=C1)[N]2CC3CNCC34CNC4,CAQAUSHHWYCVJK-UHFFFAOYSA-N
+B5CAC4BC337DEC91_5A85E904F3C737A6_7015_UN,N(C2=NC1=C(N=C(C=C1)Cl)SC2)[S](C4=CC=C(N=NC3=CC=C(N(C)C)C=C3)C=C4)(=O)=O,YRAOHUVQPZZBGD-UHFFFAOYSA-N
+BA584F0B45FD7952_F0EE02ED69D36BD8_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N4CCOCCN(CC3=CC=CC=C3)CCC4,SRBIAWXHQREHPT-UHFFFAOYSA-N
+BA61E6FD92BB2558_76A9686AD9CF0F69_6029_UN,C1C3CC(N1[S](C2=C(C(=C(F)C=C2)CCl)F)(=O)=O)C=C3,JZEWDQBYAICGKD-UHFFFAOYSA-N
+BE2B7AC4D9626AD4_30849C9656C3DA3B_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2)C)OCC,KORBXDZKMLPSDI-UHFFFAOYSA-N
+BE2B7AC4D9626AD4_B33F96E6F4935D60_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2)C)OCC,KORBXDZKMLPSDI-UHFFFAOYSA-N
+C3FC5E8EAA0966D6_2EFD0DC70BC9135B_6041_UN,CN1C(=O)CCC2=C1C=CC(=C2)NC3=C[N](=CC=C3)=O,MFTXDWBVOLTHPY-UHFFFAOYSA-N
+C61D3AE1826C3F11_8FBA5ACB01109916_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)N4C(CC3=CC=CC(=C3)OC)CCCCC4,LXWZFOCCJPVLJC-UHFFFAOYSA-N
+C663EDEC39AD7EE1_8D74D1684EFDC6BA_6027_UN,N(CC1=CC2=C(C=C1)OC=C2)[S](C4=CC=C(N=NC3=CC=C(N(C)C)C=C3)C=C4)(=O)=O,FNQQWLKQEABBES-UHFFFAOYSA-N
+C663EDEC39AD7EE1_8D74D1684EFDC6BA_7015_UN,N(CC1=CC2=C(C=C1)OC=C2)[S](C4=CC=C(N=NC3=CC=C(N(C)C)C=C3)C=C4)(=O)=O,FNQQWLKQEABBES-UHFFFAOYSA-N
+C9EA73898C5A9745_7A6CCBCB35ABFACB_6041_UN,CC[N+](C)(C)CC1=C(C=CC=C1)NC2=CC3=C(C=C2)OCO3,SDQOJXRSPOHJPJ-UHFFFAOYSA-N
+CAB64A07AB7C9A93_164BF9D6F8602265_6029_DP,N2CC1=C(C=CC=C1)CN2[S](C3=CC4=C(C=C3)OC=C4)(=O)=O,GSJVSJQSGXTKHB-UHFFFAOYSA-N
+CB9267ADDF89AC09_D36EC516EED60EDD_6029_UN,C1C3CC4CC(N1[S](C2=C(C=CC(=C2)O)Cl)(=O)=O)C3C4,MWDHHWAOWHZAQQ-UHFFFAOYSA-N
+CBB3D314A801648C_FE336095AA90C983_7022_UN,C1(=C(C=CC2=C1OCO2)F)OC(C3CCCC3)C4=CC5=C(C=C4)OCO5,DCHXHSUSZOWVNR-UHFFFAOYSA-N
+CBE7D28FF98A9CA1_3CA46FD3FBD40FD0_7019_UN,C(CC1=CC2=C(C=C1)OCC2)=CC3=CC=C([N](=O)=O)C=C3,WZEGQZKGLVPCFG-UHFFFAOYSA-N
+CBE7D28FF98A9CA1_FFA186E68C80821C_7019_UN,C(CC1=CC2=C(C=C1)OCC2)=CC3=CC=C([N](=O)=O)C=C3,WZEGQZKGLVPCFG-UHFFFAOYSA-N
+CBF23B08FFC10AFB_844DB1A6B0F5F59C_6041_UN,CC2=C1CCCC1=CC(=C2)NCC3(N(C)C)CCCCC3,WESJJRHNCOWGJC-UHFFFAOYSA-N
+CC1FF4A44B5A2A19_27E59A7508122E4D_6039_UN,CC2=C1C(CCOC1=CC=C2)OCC3CC4(CO3)CCOCC4,ANSUJBKTTOIPSS-UHFFFAOYSA-N
+CC1FF4A44B5A2A19_7FC11CDB32AD2C30_6039_UN,CC2=C1C(CCOC1=CC=C2)OCC3CC4(CO3)CCOCC4,ANSUJBKTTOIPSS-UHFFFAOYSA-N
+CD0ADE565382B919_82DF744E4704D4AB_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CSCC3)CC4(NCCCC4)CC=C,WHNFXGYMZSTBQO-UHFFFAOYSA-N
+CDE5F38E0AFCC11A_4D48E4BEA2A691BE_6041_DP,FC1=C(C=CC(=C1)NC2(CNC2)C3=NC=CC=C3)N=[N]#N,HNGCWSABRXMPRL-UHFFFAOYSA-N
+CE1D6C0AE59008FD_C13B21465AD0BF2B_6041_UN,COC(=O)C1=C(C=CC(=C1)[N](=O)=O)NCC2=C(CC)C=CC=C2CC,MHUVYGYBXBYMOW-UHFFFAOYSA-N
+D0F0D02F31517AF8_00F92B09B2FABA24_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCCOC2=CC=CC(=C2)OC,TZVSHBKONMHDHA-UHFFFAOYSA-N
+D0F0D02F31517AF8_8342217910AA3D7F_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCCOC2=CC=CC(=C2)OC,TZVSHBKONMHDHA-UHFFFAOYSA-N
+D199621120C4BC80_BABA8AB2FFCB335A_7022_DP,CN1CCC2=C1C=CC(=C2)NC3=NC(=N[N]3C)[C@H]4CCCN4,VFUAEQVTPDCGQE-CYBMUJFWSA-N
+D20006B6C185D1B0_5469791A3958C9C3_6041_UN,CC1=CC(=C(C=C1)NCC2=CC=C(OCCN(C)C)C=C2)[N](=O)=O,HAPCYOCSAMXPIV-UHFFFAOYSA-N
+D2826F50E9AA3566_C4E842ADEE87E801_7022_UN,C1(=C(C2=C(C=C1)C=CC=C2)F)NC4=CC=C(N3CCN(C)CC3)C=C4,XYRVRXCHLWZGJJ-UHFFFAOYSA-N
+D2DD730462580D17_329C3B239A4D7061_6029_UN,N(C2=C(C=C1OCCCOC1=C2)S)[S](C3=CC(=CC4=C3C=CC=N4)Cl)(=O)=O,ITDMQYZCYQINER-UHFFFAOYSA-N
+D2F9DFB8E9E9EC66_491AE31E743E5FA2_6035_UN,O(C1(CC1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C4CC4)Cl,KTVLSIHDIWCKMA-UHFFFAOYSA-N
+D2F9DFB8E9E9EC66_F17516A79B9FDF40_7022_UN,C1(=C(C=C(C=C1)C2CC2)Cl)OC3(CC3)C4=CC=C(C=C4)F,KTVLSIHDIWCKMA-UHFFFAOYSA-N
+D34AB3B26DD681B6_19930AD5A56A9A24_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)CCl,OHACNUUDDMCEFW-UHFFFAOYSA-N
+D422F4C17959DEDA_41C185A0990949C6_6029_UN,COC1=C(C(=CC=C1)CN[S](C2=CC(=CC(=C2)CO)Cl)(=O)=O)C,GFQMGQNQXXRTDK-UHFFFAOYSA-N
+D460B056BDF6448E_8DAD8FE66456E342_6039_UN,O(CC2(CC1=CC=C(C=C1)F)CC2)CC=C3CCOCC3,ILDUAOUQKLQGKO-UHFFFAOYSA-N
+D4CA6A57F1FA370B_F66C68DC7C7D7C66_6029_UN,COC1C2CC(C1)C(C2)N[S](C3=CC(=CC(=C3)CBr)Cl)(=O)=O,OFFZXCOGOMHTTD-UHFFFAOYSA-N
+D56594DC04559599_A406F768FED7F7A7_6035_UN,O(C1(CCC1)C2=CC=C(C=C2)F)C3=CC=CC(=C3)SC,DRIMWBSHCQGVEV-UHFFFAOYSA-N
+D6153895E153258B_1033A82226964AF0_6039_UN,CCOC4CC(OCC2=CC(=C1OCOC1=C2)C3CC3)C45CCCC5,RTJOZJZKCVFHBL-UHFFFAOYSA-N
+D66B87036079699A_BA9458D497659CAE_6003_UN,O(CC1=C(C=CC(=C1)C2=CN=CC=C2)F)C3=CC=C([S](N)(=O)=O)C=C3[N](=O)=O,SCCGHARSMYBWGH-UHFFFAOYSA-N
+D8EC0FF1D65C203E_23A94C07F9E0EAF5_6029_UN,C1N(CCC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=C(N(C)C)C=CC=C4)(=O)=O,QKDQLNVLIAIXOA-UHFFFAOYSA-N
+D8FBF8D6BB2D52B0_889025C6678EF837_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC2=CC(=NC=C2)OCCOC,ZUAZGUPNCQBWTK-UHFFFAOYSA-N
+D955461A63AAE54A_CB52AB3D383C7DDD_6035_UN,O(C1(CNCCC1)C2=CC=C(C=C2)Cl)C4=C3C=CC=CC3=C(N)C=C4Cl,HSMITXHGPHSNSU-UHFFFAOYSA-N
+D9A2886A10FC4170_4F10529CFEC4771C_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)N4CCC(CC3=CC=C([N](=O)=O)C=C3)CC4,UWNWGVPSIKNQGX-UHFFFAOYSA-N
+DBB67023B605385F_44994180FDA4F8B6_6041_UN,O=[N](=O)C1=C(C=CC(=C1)C2SCCS2)NC3=CC=C(C=C3)F,LCJJZBTZYSECCS-UHFFFAOYSA-N
+DBDE457E7FDAD280_C0C3AE9184AF30F0_7022_UN,C1(=C(C2=C(C=C1)C=CC=C2)F)NC3=NC(=N[N]3C)C4CCC4,MRTCMYIEXBBVBK-UHFFFAOYSA-N
+E1BA561051EEF026_66055B38E8F814E5_6029_UN,N(C1=CC2=C(C=C1)COCC2)[S](C3=CC=CC4=C3N=C(Cl)C=C4Cl)(=O)=O,KCSXDSRQESAKSC-UHFFFAOYSA-N
+E37664542D767D84_71BCCF8852D93A1B_6041_UN,COC1=C(C=C(C(=C1)NCC2=NC=C(CC)C=C2)[N](=O)=O)C,SWNKREZCTQJSSJ-UHFFFAOYSA-N
+E3BF553A081B059B_DAD6453C64A9DC46_6039_UN,CN(C)C2CCN(CCCOCCN1C(C)CCC1)CC2,JPIJDMBQUUQRJK-UHFFFAOYSA-N
+E4432E09F48B257B_6E9F2EDE4EF9D532_6026_UN,[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)N5CCC3(C4=C(CO3)C=CC=C4)CC5,JEUCIJZBOSGVFH-UHFFFAOYSA-N
+E47EA9D6C48DC739_8FFB7B2C5A856F55_6035_UN,O(C(C1CCCC1)C2=CC3=C(C=C2)OCO3)C5=C4C=CC=C(C4=CC=C5)Br,MNLPQRIVPDOTTH-UHFFFAOYSA-N
+E4995A4369CBAF6A_A8E4DEF44C94F9EB_6026_UN,[S](=O)(=O)(C2=C1C=CC=CC1=CC=C2)N4CCC(C3=CC=C(N(C)C)C=C3)CC4,LXGMJDPPYIWBOQ-UHFFFAOYSA-N
+E6FE802218370190_8FAAC3AC7980DA45_7019_UN,C(C1(CC=C)CC=CC1)=CC2=C([N](C)C3=C2C=CC=C3)Cl,KLUVDELMQDKTOT-UHFFFAOYSA-N
+E8D95FBC3391E48E_81653B1A532EA9E3_6041_DP,N3CCC1=C(C=CC=C1NC2=CC(=CC(=C2)F)[N](=O)=O)C3,LGAUMCUSFJHTIW-UHFFFAOYSA-N
+EC89049F087208DA_BB0BDAF101F4BF0A_6027_UN,N(C1=CC2=C(C=C1)OCCC2)[S](=O)(=O)C3=C4C(=CC=C3)C(=CC=C4)N=[N]#N,SRCHVRNZBYHPKT-UHFFFAOYSA-N
+ECAADE67B6AF3F6B_8602208008ED38EE_6035_UN,O(C1(CNC1)C2=CC=C(C=C2)F)C3=C(C=CC(=C3)C#N)I,YUSKSMYICGDTJZ-UHFFFAOYSA-N
+ED1321CC9924146F_027CCEB39FE19CFA_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC(=CN=C3)F,HMZLGILVGCDBTQ-UHFFFAOYSA-N
+EDC97950651D878F_4E1B08FA3FEA9940_6026_UN,FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)N3C5CCC3CC4(CC4)C5)Br,RGIFSVFKYIIOMU-UHFFFAOYSA-N
+EF2672BC406551AB_ED7BDE8E0F089DC5_6038_UN,N(C1=CC2=C(C=C1)OCCC2)C(=O)C3=CC=C([NH]3)[N](=O)=O,WEPYQYUHHMCXOE-UHFFFAOYSA-N
+F0E23FBBD2714E6B_3D8567C087DD772F_6029_UN,N(C1=CC(=C(C=C1)F)C2CC2)[S](C3=CC4=C(C=C3)C(=O)CO4)(=O)=O,COCIPUTUYGQEAJ-UHFFFAOYSA-N
+F3F2B562C0FB1A6B_D42D0FF257E17D73_6041_UN,CC1=C(C(=CC=C1)NCC2=CC=C(OCCCN(C)C)C=C2)[N](=O)=O,QHZJNFPQFDXVCB-UHFFFAOYSA-N
+F3FF5951789B14FD_F00EA8B9F2D5FFB9_6034_UN,CN(C)CC1=CN(C2=C1C=CC(=C2)F)CC3CCCCCN3,LIMUBQYZHQIIRH-UHFFFAOYSA-N
+F55721F13A2AA8BE_B19EC9B6C52D0FBB_6035_UN,O(C1(CCOC1)C2=CC(=CC=C2)Br)C4=C3C=CC=C(C3=CC=C4)Br,RTSUGJRYOCMXFS-UHFFFAOYSA-N
+F698D466BAE44EC3_B04F50EDA700CA0F_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C5=CC=C4C=CC=CC4=C5F)(=O)=O,FUHBBEGNWRORTI-UHFFFAOYSA-N
+FA67AC30B962392C_D827CE56C894C149_6029_UN,N(CC23CC1CC(CC(C1)O2)C3)[S](C5=C4C=C[NH]C4=CC=C5)(=O)=O,QKDFFUKPUVAISW-UHFFFAOYSA-N
+FAB0A880167CF54D_28A85FF152768E1F_6029_UN,C(C1CC2CCC(C1)N2[S](C3=C(C=CC(=C3)O)F)(=O)=O)C4=CC=CC=C4,YQOHZTUDRCAILD-UHFFFAOYSA-N
+FB5AABFF52CDFCBD_1C179CD8A39387BC_7022_UN,C2(=C1OC3=C(C1=CC=C2)C=CC=C3)OC4(CCCCC4)C5=CC=C(C=C5)F,XBGBTOAUSPNBNT-UHFFFAOYSA-N
+FB5AABFF52CDFCBD_F1BBE7A28B818DEC_6035_UN,O(C1(CCCCC1)C2=CC=C(C=C2)F)C4=C3OC5=C(C3=CC=C4)C=CC=C5,XBGBTOAUSPNBNT-UHFFFAOYSA-N
+FCBB938BB67F289F_00B1F4DE9820F59D_7019_UN,FC1=C(C=CC=C1Br)C=CC3=CC(=C2OCOC2=C3)C4CC4,IJCWVKOESHAAIU-UHFFFAOYSA-N
+FD354257714D8416_06A8293ED51B6DEF_6028_UN,N(C1=CC(=C(C=C1)F)C2CC2)[S](C3=C(C=CC=C3Cl)Br)(=O)=O,RJKGFROMSMMBRL-UHFFFAOYSA-N
+rxn:2:100414:136997,Cn1nc2c(c1CNC1CCC(CC3CCOCC3)CC1)C1CC1C2,UIXGQBCCVJMGGF-UHFFFAOYSA-N
+rxn:2:103785:107082,CC1CCCCN1C(C)CCCNC[C@@H]1CCCN1C,RSIVODGMNBXMBW-JCYILVPMSA-N
+rxn:2:105481:125460,CC1CC(CN(C)CCNC2CCCN(C(C)C)CC2)C1,OJDHEFQWSKIQDQ-UHFFFAOYSA-N
+rxn:2:105812:107186,Cc1nc(N(C)C)ccc1CNC(CCC1CCCCC1)C1CCCC1,VZUFEBPODIMQHH-UHFFFAOYSA-N
+rxn:2:107317:105859,Cc1ccccc1CN1CCC(CCNC2CCC(F)C3CCC23)CC1,GKQNXCLUVCVHPN-UHFFFAOYSA-N
+rxn:2:107649:121694,CN(C)CCN1CCCC1CNOCCN1CCCC1,OTLRGMVUKOJODH-UHFFFAOYSA-N
+rxn:2:107717:88395,Cn1cccc1C(COC1CCCC1)NCCCN1CCCOCC1,XWASWLRVXXXSCS-UHFFFAOYSA-N
+rxn:2:107914:109704,Cc1cccc(CCC(NCCN2CCCC(N(C)C)C2)C2CCC2)c1,HPGYTTLKQLYCDZ-UHFFFAOYSA-N
+rxn:2:109890:106936,C[Si]1(C)CCCC(NCc2occc2COC2CCCCCC2)CC1,URXVGDVZOHSDHF-UHFFFAOYSA-N
+rxn:2:117872:70424,CN(c1ccc2c(c1)OCO2)C1CCC(Nc2ccc(C34CCC(F)(CC3)CC4)cc2)CC1,ZCGDPITYKUTEKT-UHFFFAOYSA-N
+rxn:2:118133:136997,Cn1nc(CNC2CCC(CC3CCOCC3)CC2)c2c1CC1CC21,XMUTVRUGCQPHES-UHFFFAOYSA-N
+rxn:2:119097:88395,Cn1cccc1C(COC1CCCC1)NCCN1CCC2COCC2C1,UZYMFNRBUATWRP-UHFFFAOYSA-N
+rxn:2:123455:88395,Cn1cccc1C(COC1CCCC1)NCCN1CC2COCC2C1,DJXCBAZBBMPTNJ-UHFFFAOYSA-N
+rxn:2:131199:140016,CC1CC(C)CN(CCCC(C)N[C@H]2CCCN(C)C2)C1,APYCLZASXAYMQI-HLYMMOCJSA-N
+rxn:2:133359:76221,Cc1ccc(CN2CCC(NCCN(C)C3CCCCC3N(C)C)CC2)cc1,LMMCNOOQILINGL-UHFFFAOYSA-N
+rxn:2:134044:138252,CCN(C)C1CCCCCC1NCc1cccc(CN2CCC(C)CC2)c1,JNSHRSZWEPYUQP-UHFFFAOYSA-N
+rxn:2:138252:134044,CCN(C)C1CCCCCC1NCc1cccc(CN2CCC(C)CC2)c1,JNSHRSZWEPYUQP-UHFFFAOYSA-N
+rxn:2:140016:131199,CC1CC(C)CN(CCCC(C)N[C@H]2CCCN(C)C2)C1,APYCLZASXAYMQI-HLYMMOCJSA-N
+rxn:2:141357:170161,COc1ccc2cc(C3CC(C)CC(NCCCN4CCCC(N5CCCCCC5)C4)C3)ccc2c1,NJOBSJVOTDTDDI-UHFFFAOYSA-N
+rxn:2:66045:77928,COCOc1cc2c(cc1C(C)NC1(C3(c4ccc5c(c4)CCO5)COC3)CC1)CCO2,NFKJLRLXRPLVEL-UHFFFAOYSA-N
+rxn:2:67851:69933,CN1CCCC(CCCNC2CCC(Cc3ccc4c(c3)CCCS4)CC2)CC1,IGDYLCJNUXJPDQ-UHFFFAOYSA-N
+rxn:2:69691:94126,CC1CCC(N2CCC(NCc3ccc(CCN(C)C)cc3)CC2)CC1,INFYIUUZYSBGOJ-UHFFFAOYSA-N
+rxn:2:70056:82810,CN(Cc1ccc(CNC2CCCCC2OC2CC2)o1)C1CCCCC1,OQCPWQNEYDXBCW-UHFFFAOYSA-N
+rxn:2:70056:95027,CN(Cc1cc(CNC2CCCCC2OC2CC2)co1)C1CCCC1,OFMXHDZQGMUSDD-UHFFFAOYSA-N
+rxn:2:70347:88395,Cn1cccc1C(COC1CCCC1)NCCC1CCN2CCCC12,JTFHVTUZNQBYEI-UHFFFAOYSA-N
+rxn:2:70424:117872,CN(c1ccc2c(c1)OCO2)C1CCC(Nc2ccc(C34CCC(F)(CC3)CC4)cc2)CC1,ZCGDPITYKUTEKT-UHFFFAOYSA-N
+rxn:2:70424:136741,CN(c1ccc2c(c1)OCO2)C1CCC(NC[C@H]2[C@@H]3CCC(F)(F)[C@@H]32)CC1,CVGFIRFKRJSWMI-WATYLHEZSA-N
+rxn:2:70723:138413,Cc1cccc(C(CCN(C)C2CCCC2)NC[C@@H]2CCCC[C@@H]2F)c1,RHIHKTPYCUGGCA-XWQVQCDNSA-N
+rxn:2:74494:111125,Cc1ccc(CCC(NCC[C@H]2CC[C@H](C)CC2)C2CCCC2)c(C)c1,XOPRPWBESPOQEP-DOABJOQISA-N
+rxn:2:76221:133359,Cc1ccc(CN2CCC(NCCN(C)C3CCCCC3N(C)C)CC2)cc1,LMMCNOOQILINGL-UHFFFAOYSA-N
+rxn:2:76284:107186,Cc1ccc2c(CCNC(CCC3CCCCC3)C3CCCC3)c(C)n(C)c2c1,YIRCLPWATJJKIE-UHFFFAOYSA-N
+rxn:2:77307:81764,CC(CCCN1C(C)CCCC1C)NOCC1CCCN1C,LQDVZBKZZRKWKW-UHFFFAOYSA-N
+rxn:2:78265:138252,CCN(C)C1CCCCCC1NCc1ccc(CN(C)C2CCCCCC2)cc1,IGZLKPHPPFKNTA-UHFFFAOYSA-N
+rxn:2:79750:119746,CC1CC(NCCN2CCCN(Cc3ccn(C)c3)CC2)CCN1C,CDOLZEGPIRLLQW-UHFFFAOYSA-N
+rxn:2:79750:96455,CCC1CCCC(CNCCN2CCCN(Cc3ccn(C)c3)CC2)N1C,NXNNHDUXUCONRJ-UHFFFAOYSA-N
+rxn:2:82279:116559,Cc1ccc(CCN(C)CNC2CCCC3(CC[C@@H](F)C3)C2)c(C)c1C,CCOGEUWAYDJSHL-DDRJZQQSSA-N
+rxn:2:82279:119868,Cc1ccc(CCN(C)CNC2CCCC3(CCC[C@@H](F)C3)C2)c(C)c1C,LNXVSZOWWZXHTR-ZKMFCFPVSA-N
+rxn:2:82810:88457,CN(Cc1ccc(CNC2CCc3cccc(OC4CCCCC4)c32)o1)C1CCCCC1,WJKMRWSEAIMMQA-UHFFFAOYSA-N
+rxn:2:84985:138252,CCN(C)C1CCCCCC1NCc1cccc(CN(C)C2CCCCCC2)c1,GVAHFGHJXRNANQ-UHFFFAOYSA-N
+rxn:2:85236:125438,CN1CCCC(N(C)Cc2ccc(CNC3CC(C4CCC4)C3)o2)C1,OHTHGLPYWZMLBT-UHFFFAOYSA-N
+rxn:2:86160:141471,CC1CCC(C)N(CCNCC2CCCC(C)N2C)C1,WFEZFUFAKIVNRD-UHFFFAOYSA-N
+rxn:2:86625:138248,COC(CCNC1CCCc2ccc(OCC3CCCO3)cc21)c1ccc2c(c1)OCCCO2,ZPSYAUJHVYKDSY-UHFFFAOYSA-N
+rxn:2:87784:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1CCC3(CCCCCC3)O1)CO2,ZHPGRFZQMDKXGP-UHFFFAOYSA-N
+rxn:2:87918:135599,Cc1cc(C)cc(CCC(NCCC2CCC(C)CC2)C2CCCC2)c1,VNWZPNVQHSMLPQ-UHFFFAOYSA-N
+rxn:2:88395:107717,Cn1cccc1C(COC1CCCC1)NCCCN1CCCOCC1,XWASWLRVXXXSCS-UHFFFAOYSA-N
+rxn:2:88395:119097,Cn1cccc1C(COC1CCCC1)NCCN1CCC2COCC2C1,UZYMFNRBUATWRP-UHFFFAOYSA-N
+rxn:2:88395:123455,Cn1cccc1C(COC1CCCC1)NCCN1CC2COCC2C1,DJXCBAZBBMPTNJ-UHFFFAOYSA-N
+rxn:2:88395:96092,Cn1cccc1C(COC1CCCC1)NCCN1CCN2CCCC2C1,DUIRIYNGQBVBTI-UHFFFAOYSA-N
+rxn:2:90288:107186,Cc1cc(C)c2[nH]c(C)c(CCNC(CCC3CCCCC3)C3CCCC3)c2c1,FJPRFYDXPBUVDP-UHFFFAOYSA-N
+rxn:2:90540:121694,CN(C)CCN1CCCC1CNC1CCN2CCCCC12,RHMRQBPBCOVZHQ-UHFFFAOYSA-N
+rxn:2:91160:121792,CN(C)CCN(C)C1CCC(NCCN2CC3(CC3)C2)CC1,DCDKWKXSAFCQOU-UHFFFAOYSA-N
+rxn:2:91191:138252,CCN(C)C1CCCCCC1NCc1ccc(CN2CCC(C)CC2)cc1,GQXAVWGIQXBCSS-UHFFFAOYSA-N
+rxn:2:91872:146472,COCOc1ccc(C)cc1-c1ccc2c(c1)OCCC2NCCC1CCC2(CCOCC2)CO1,WVGPIHMDGKUQAB-UHFFFAOYSA-N
+rxn:2:91872:168980,COCOc1ccc(C)cc1-c1cccc2c1CCCC2NCCC1CCC2(CCOCC2)CO1,CSHHGMBATXCHLB-UHFFFAOYSA-N
+rxn:2:94166:111125,Cc1ccc(CCC(NCC[C@H]2CC[C@@H](C)CC2)C2CCCC2)c(C)c1,XOPRPWBESPOQEP-NSWDLBSPSA-N
+rxn:2:96092:88395,Cn1cccc1C(COC1CCCC1)NCCN1CCN2CCCC2C1,DUIRIYNGQBVBTI-UHFFFAOYSA-N
+rxn:2:97937:122376,Cc1ccccc1CN(C)C1CCCCCC1NCCN1CCC[C@@H](F)C1,ABRQZGKAHKEPES-DDRJZQQSSA-N
+rxn:2:98368:106329,CN(C)C1(CNC2CC3CC2CC3F)CCCCCC1,PFKAKSVZJNTPSC-UHFFFAOYSA-N
+rxn:2:99006:121502,CN(C)CC1CCCN1CCNC1CCN2CCCC12,LJNMLIJEBOCIID-UHFFFAOYSA-N