Added 309 molecules from epoch 16730 for P31645

P31645_molecules.csv

@@ -37680,3 +37680,312 @@ rxn:2:89164:127013,CCC1CCC(NCCN(C)C[C@@H]2CCCN2C)C1C,DOFMIZOLIAMJMV-PYCMUAIMSA-N
 rxn:2:90333:131822,CCN1CCCC(ONC2CCCC2CCC2=NC(C)(C)CC(C)O2)C1,LZAUAYYHJMDWKT-UHFFFAOYSA-N
 rxn:2:91482:110670,CC(C)c1nn(C2CCCN(C)C2)cc1CNC1CCC2SCCSC12,UUPGEHQNAGCEHV-UHFFFAOYSA-N
 rxn:2:95786:89477,CC[C@@H]1CCCC(NC2(C)CCN(CCCN(C)C)CC2)C1,HJARKINOJJGFLA-QNSVNVJESA-N
+01FEA497C0724C61_868CE04DEBE0FCB4_6039_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=NN=C(O3)C4CCCOC4,NVLWEOOSPLXDIL-WHYLROFESA-N
+020BC8C5AAD55B88_F4D683730D4BFDBE_6041_UN,CCOCC1=C(C=CC(=C1)[N](=O)=O)NCC2=C(OC)C=CC(=C2)C,MLQGIEBYTPJFLX-UHFFFAOYSA-N
+02BA35FF743932BD_9125C4D1B7B9F34E_6039_DP,O(CC2(CC1CO1)CCCC2)CC3OCCC34CCNCC4,FMMWHWYHTIBZMN-UHFFFAOYSA-N
+0613F3497614E866_FD7A4218B37D0FF1_6039_UN,O(C2CCC1COCCC1C2)CC3=NO[C@@H]4COC[C@H]34,BJTJTWRPGRUREH-BZTRVDRMSA-N
+061D528BEB0D27BF_26D1E0F577DAD226_6039_UN,O(CC2(CC1CO1)CCOCC2)CC3CCCCCO3,MOBBWGUZVPEXAF-UHFFFAOYSA-N
+06AD759047C00CC7_06878A108DD2F1CF_6041_UN,FC1=C(C=CC(=C1)[S](=O)(=O)F)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3,QWQNFORJSRPZOD-UHFFFAOYSA-N
+07135D547F18C8F3_E33C5E6797D0CC72_6039_UN,O(C2C1CCOC1C23CCC3)CC4=NO[C@@H]5COC[C@H]45,NJGWGQREJBQPNK-ZZCDYSTESA-N
+08227615C0E527FB_AC1BAAD8827F2D88_6039_UN,O(CC2COC1(CCCCC1)O2)CC4=NC3(CC3)CO4,ZOGOXCSNZVFYAF-UHFFFAOYSA-N
+0923327F724080AC_422077C86C618B42_6029_UN,N(CCC1CC2CCC1C2)[S](C3=CC(=C(C=C3)I)F)(=O)=O,DYJNMOXICLHHMJ-UHFFFAOYSA-N
+099C4F9EDE15C0F2_EFFBDCA5BB645216_6039_DP,N4CCC3(CC(OCC1=NO[C@@H]2COC[C@H]12)CO3)CC4,IVMOKQHBLBAZLQ-LIXJUXSLSA-N
+0AF12A652CDD6B3B_FD9A16D18D29A821_6035_UN,O([C@@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(C)C=C4Br)CC=C,LUXNCHQCOBJEAS-HXUWFJFHSA-N
+0C433495ECD71AEC_132777EE855A1F03_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CCC3)CC4(NCCCC4)CC=C,GKCPGWYJRGHWSV-UHFFFAOYSA-N
+0FA5E52F52F5057D_CA1D25147C1F79E2_6029_UN,C1C3CC4CC(N1[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)C3C4,LTNABFXEHAOXOX-UHFFFAOYSA-N
+10F58BB04B29CB26_39A1B71B66F885A7_6039_DP,O([C@@H]1CCCSC2=C1C=CC=C2)CC3=CC(=NO3)C4CCNCC4,GNNHNIGJDHMPHY-GOSISDBHSA-N
+1172BA5955F04549_871F2E8E2ABC7506_6035_UN,O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(C)C=C4Br)CC=C,GRQZGCBVCYCLQK-NRFANRHFSA-N
+15A685E283EA25B4_C8C459E1A972D2CE_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=NOC(C)C3,LXGXPJNXPXDQOP-UHFFFAOYSA-N
+15C67BB522798A33_CE521EA8F02DA3F4_6038_UN,COCCOC1=C(C=C(C=C1)NC(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O)F,AXPOZRFGJRVHGX-UHFFFAOYSA-N
+17E0752EEFC66F77_B0C7C193BFA2A1C4_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(CC)C=C2)[N](=O)=O)Br,PSHOATFWOZTKNR-UHFFFAOYSA-N
+181B511CACDF227C_804364E5E85455AA_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,DPROOOLCBRQAEK-UHFFFAOYSA-N
+1A676FD0B1BDA18D_E69F726ED8B6FFA1_6041_UN,CC1=C(C=C(C=C1)N=[N]#N)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C,VWISQTFDNLBMBS-UHFFFAOYSA-N
+1C92C3393160ACB0_B34EC128C3D3B630_6039_UN,O(CC2(CC1CO1)CCOCC2)C[C@@H]4C[C@H]3COC[C@H]3O4,XFNDMHBLEXOWLR-ZAQQFOKRSA-N
+1CD3E63DD7736D2B_B01B97002EF44937_6041_UN,COCCOC1=CC=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,LCRMVRJJXFWKGK-UHFFFAOYSA-N
+1CF6273524DD33B0_D11A9BB8B6C1324D_6039_UN,O(C2C1CCOC1C23CCC3)CC4=NC=C(O4)C5CCOCC5,LRKKPBQTAZURIW-UHFFFAOYSA-N
+1E535724F089D2EC_6C673573982A46F0_6005_UN,FC1=CC(=C(C=C1)[S](=O)(=O)Cl)C2=CC3=C(C=C2)OCCC3,BLRIAPONFZLARM-UHFFFAOYSA-N
+1EA7291BEF2FA7B8_7ABC27A8E9173A15_7019_UN,C(C2CCC1=C(C=CC=C1)C2)=CC3=CC(=C(O)C(=C3)F)F,YTUVCRNOXJSTOF-UHFFFAOYSA-N
+1EE97D433CF2FEA9_A7BD87A538F0F09B_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NCC(C)N2CCCCCC2,ZAZSNQYYNBDCAO-UHFFFAOYSA-N
+1F3C43AEF6DE5479_7A2CE29F06EFABFE_6035_UN,CNCC(OC1=C2C(=CC=C1)NCC2)COCC3=CC4=C(C=C3)OCO4,MYHNLIXOIQEYJT-UHFFFAOYSA-N
+1F8F872CAE8550DB_B4B1C5220D407423_6029_UN,N(CC1ON=C(C1)C2=CC3=C(C=C2)OCC3)[S](C4=CC5=C(C=C4)C=CN=C5C#N)(=O)=O,HZRPXWGPOIMVAP-UHFFFAOYSA-N
+1FD8A500777E5CF8_A8F699AA115B3C0A_6039_UN,O(C2COC1(CC1)C2)CC3=NC=C(O3)C4CCCCC4,XIGFAWSMRBPBJB-UHFFFAOYSA-N
+206F078F64EDAED1_EE1010971FAAAED4_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CCCC4,HYMHPGBAQPSXPW-UHFFFAOYSA-N
+221E3B5B36FC50A5_5D0545FB561838B7_6039_UN,O(CC2CCOC1(CCC1)C2)CC3=CC(=CC4=C3OC(OC4)C5=CSC=C5)F,UZIOGHFDXYQDLK-UHFFFAOYSA-N
+22677A3B313D2F1E_0CB8244558B61542_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C)C=C(C=C1C)Cl)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,YKRHMKDESOKHJE-LKQAWGCSSA-N
+232CE15BCD8EBFFD_1DBB05C5D1D69C08_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C=C(C)C=C1C)Br)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,QKBRFFKVZYPQMD-RMAZQVEGSA-N
+23698C7D0DBC711D_75972B5CF55D1DB9_6034_DP,N1CCC(CC1)C3=NC2=C(C=CC(=C2)N)[N]3CCC(CCN(OC)C)C,PXEJEBZKXJQJLR-UHFFFAOYSA-N
+237A61C4BD1CA2F1_5DD36D109DA9C388_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=NC=C(O3)C4CC4,VBIORKFQTUQLAT-UHFFFAOYSA-N
+2503152813C836E6_B1D38A8D893FB310_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)NC4=CC(=C(C(=C4)F)N5CCCCC5)F,NEUVODKRUDUNQC-CVEARBPZSA-N
+250C75C0D22069E2_221081239407DC5E_6029_UN,CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)N[S](C3=C(C=C(N(C)C)C=C3)[S](=O)(=O)Cl)(=O)=O,GIXIVXKALFGCOE-UHFFFAOYSA-N
+254DF17A3C29E5C5_F159D5CBA8B8ABF6_6039_UN,O(C2C1CCOC1C23CCC3)C[C@@H]5C[C@H]4COC[C@H]4O5,ZJXBDRZDTUMOFB-GTMWPXMTSA-N
+26AC0CDE2DB00EF8_C9DE3689FD0AE8B7_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NC4=CC3=C(C=C(OC)C=C3)C=C4)=O,HDSZPOZYEQGGSR-UHFFFAOYSA-N
+26B443C75D22E034_159649D13FE35A7E_6029_DP,N#CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC4=C3CNCC4)(=O)=O,DDOODVSNPHFGGX-UHFFFAOYSA-N
+296D8BB4E9480CD4_0FAC0B978DD1339E_6034_UN,C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CC4CNC4,NUYXFFRGKMRRLI-UHFFFAOYSA-N
+296D8BB4E9480CD4_F0605F1FCA1B4629_6034_DP,C1CNCC(C1)C3=CC2=C(C=CC=C2)[N]3CC4CNC4,NUYXFFRGKMRRLI-UHFFFAOYSA-N
+2A55AEFBCD01690E_E2D2D94936425CA5_6039_UN,O(CC1=CN=C(O1)C2CC2)CC4COC3(CCOCC3)O4,KXOOUOGOAJZZJA-UHFFFAOYSA-N
+2C3B88817CF4AE80_735771593FEED0EF_6029_DP,N4CCC(CN1CCN(CC1)[S](C3=C2C=CC=CC2=CC(=C3)C#N)(=O)=O)CC4,SKFJZOVWKLMRPO-UHFFFAOYSA-N
+2CCB5E979A8B7969_C08144DF3E21BA9E_6029_UN,N(C2C1C3CC4C1CC5C2C3C45)[S](C7=C6C=CC=NC6=C(OC)N=C7)(=O)=O,KIQRCHNNSXFBJH-UHFFFAOYSA-N
+2E254DB66DAADB30_E32199F435ABB86A_6035_UN,O(C1(CCNC1)C2=CC=N[NH]2)C3=C(C=CC=C3)SC(F)F,ABAXKCZUSQUMIH-UHFFFAOYSA-N
+2FB233AEE203B9D3_5D1E11F3748359D2_6035_UN,CC(C)(C)[C@@H]2CCN[C@H](COC1=C(C=C(CCNC)C=C1)Br)C2,TVKIIJRNEFTTIG-CVEARBPZSA-N
+2FE13D07F0EF16D3_29DDB1934158F289_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC3=C(OC2=CC=C(OC)C=C2)N=CC=C3)[N](=O)=O,VQNLECYEUJKOMH-UHFFFAOYSA-N
+3153617730666D36_1C0024F3FDAB1915_6039_UN,CC(OCC1=NO[C@@H]2CCCC[C@H]12)C3=C(C=CC(=C3)C)OC(F)F,IVRKPDQFRONDEZ-QQGYXAEISA-N
+32000AE379445BE4_88EA60EC1BFC3C70_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(CC=C)CCCCC4,VTJIFIJDPZYCRZ-UHFFFAOYSA-N
+33379C85668B368D_C98F7E0BAB8442AD_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C5=CC4=C(C=C(C(O)=O)C=C4)C=C5)(=O)=O,CYHAYCONCLMLJU-UHFFFAOYSA-N
+3523F321A0211251_2576F414F9018421_6039_UN,O(C2C1CCOC1C23CCC3)CC4=CN=C(O4)C5CC5,PLBFCZCMVCVYHN-UHFFFAOYSA-N
+36C7EF0924531057_B95C85E332A8B410_6039_UN,O(C2CCC1COCCC1C2)CC3=NC=C(O3)C4CCCCC4,IIPSJARSWVJZOV-UHFFFAOYSA-N
+36DF314BEC234691_C764D8F261C8C57B_6026_UN,FC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NCC3=CC=CC(=C3)N(C)C,HVGXSZQGIDKCOK-UHFFFAOYSA-N
+3763FF19628DE1CE_17BEBDD2C0045529_6029_DP,N2CC1=C(C=CC=C1)CN2[S](C3=CC=CC(=C3)CCC)(=O)=O,RZFZWNSBVIMGDA-UHFFFAOYSA-N
+37D8ED52C32E5009_2FE8B4CFF2FB6508_6026_UN,[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2)NC4(C3=CC=C(OC)C=C3)CC4,JFTITVDHNWCZLQ-UHFFFAOYSA-N
+39B6C972D5CFC647_871CE90CEE741A74_6039_DP,O(CC1(CCOCC1)C=C)CC2OCCC23CCNCC3,ZGHIPWSWEPJMKO-UHFFFAOYSA-N
+3A0762024C8E23E7_F480F09CA0E64843_6034_DP,C1CNCC(C1)C3=NC2=C(C=CC=C2)[N]3CC4CNCCNC4,WTHNLDSHYAHAOK-UHFFFAOYSA-N
+3A49679C54AC1393_9478DC23BF625AC0_6041_UN,C2(=C1C=C[NH]C1=CC=C2)NCC3=C(C(=CC=C3)[N](=O)=O)F,HITYIRGNPSIDQR-UHFFFAOYSA-N
+3BC31C53251A6E0E_96E2C14322B4E023_6029_UN,N(C2C1C3CC4C1CC5C2C3C45)[S](C7=C6C=C[NH]C6=C(OC)N=C7)(=O)=O,GBVNWLLBEBSLAP-UHFFFAOYSA-N
+3C40991654E6160F_F964AAB0D4E0A238_6026_UN,CC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3=C(C=C(CN(C)C)C=C3)[N](=O)=O,PGLJZPQOTRFTIU-UHFFFAOYSA-N
+3ED69F02B4504CC6_837864E2ED129F9F_7022_UN,C1(=CC(=C(C=C1)F)[N](=O)=O)NCC2=CC=C(C=C2)C3OCCO3,RBERZTNHBNOFFQ-UHFFFAOYSA-N
+3F364311420A678A_69EC5874DAE88BCD_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=CN=C3)NC4=CC(=C(C(=C4)F)N5CCCC5)F,GBFADWLFAGHHCC-CABCVRRESA-N
+402C4420D2E91720_F57BD86D3988CE4C_6034_UN,FC1=CC2=C(C=C1)C(=CN2CCC(CCN(OC)C)C)C3=CCNCC3,XEHNGASRYYESPD-UHFFFAOYSA-N
+41F139913DEA6A31_320E727A6C0E78F0_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC)I,ODVBTEONBRZSQS-UHFFFAOYSA-N
+42CA03D8340DB234_EC845543526A6B40_7017_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3C4C2=C(C=C(C(O)=O)C=C2)C3CC4)F,MPRWVYCVNIEARV-UHFFFAOYSA-N
+43AFCC69D7B642AF_E28547FE158B5C25_6041_UN,CN3CCCN(CC1=C(C=C(C=C1)NCC2(CCOCC)CC2)F)CC3,DBTJLNLIKNACAV-UHFFFAOYSA-N
+4682B9E4DDE3AD3A_A3782F8971A78029_6041_UN,CN(C)P(N(C)C)C1=CC=C(C=C1)NCC(C)N2CCCCCC2,GQCHPKUXEIXHNE-UHFFFAOYSA-N
+46C50FE84E274515_448A1DF545555549_6041_UN,OB(O)C4=CC1=C(C=C(C=C1)NC2=C(C=C3C(=C2)CCC3)[S](=O)(=O)O)O4,NOFHZIUCFGWXHR-UHFFFAOYSA-N
+4702432C7862F0E1_2845B929B8B0DCE4_6041_UN,C1(=CC2=C(C=C1)C(=O)CCC2)NC3=CC(=C(C=C3)[N](=O)=O)F,CNCOOKIERMQSOX-UHFFFAOYSA-N
+477826F8EA618C7A_6F7327283A0918B3_6035_UN,O([C@@H]1CCCC[C@H]1O[C@@H]2CCCC[C@H]2F)C3=C(C=C(C(CC)(C)C)C=C3)Cl,BBYYZHOBCIQMDC-ZHHKINOHSA-N
+4A4F9CE24F7688A5_8718048EC4040B52_6041_UN,C[S](=O)(=O)OCC1=CC(=C(C=C1)NC2=CC(=C(C=C2)F)C3CC3)F,MCWCFRCXOWCFNU-UHFFFAOYSA-N
+4A79E8CA1260F7A1_F2C36080B290293A_6029_DP,N#CC1=CC2=C(C=C1)CN(CC2)[S](C4=CN=C(C3(CNC3)C#N)C=C4)(=O)=O,UMKRXKQAHPWFPB-UHFFFAOYSA-N
+4CFE0B7E5136F016_E6E08FDF578916D9_6029_DP,N(C1=CC2=C(C=C1)CCCC2)[S](C4=CC=C(C3(CNC3)N=[N]#N)C=C4)(=O)=O,SZRSSBIDLWEPRA-UHFFFAOYSA-N
+4D69BE4EEBDCAC22_63CA1F6EF5BF90F6_6039_UN,C[C@H](OCC1=CSC(=N1)N(C)C2CC2)C3=C(C=CC(=C3)F)C,RCFTYZIDXQLZNZ-LBPRGKRZSA-N
+4EC79FA25EB46752_5F58F363357A105B_6041_UN,CC1=CC(=C(C=C1)NCC2=C(OCCOC)N=CC=C2)[N](=O)=O,ZSKIFFMZTHNTES-UHFFFAOYSA-N
+51376462D9951E39_05102E20BC49BEAE_7017_UN,N4([S](=O)(=O)C1=C[NH]C2=C1C=CC=C2Br)CC3=C(C=C(N)C=C3)CC4,PSXCMXHKKRMNFK-UHFFFAOYSA-N
+515BDE8F56249EA5_E67E963AF7B71D56_6039_DP,COCC2(OCC1=C(C=CC(=C1)C)OC(F)F)CNC2,VIEUHIQGEJUHHC-UHFFFAOYSA-N
+51ACB3AD77DD2C17_66147FDE98CD9273_6035_UN,CN(C)CC(OC2=C(C1=C(N=C(C)C=C1)C=C2)Cl)CN3CCNCC3,ABJKJFGZKQIADG-UHFFFAOYSA-N
+520A8E2DBFDA82C0_51FC681DC6D52635_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C(=C(C)C=C1)Br)C)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,QFEWSRJVEZBMGC-RMAZQVEGSA-N
+5255A6CE9106A709_1065D43296DE7445_6006_UN,CNC1=C(C=CC(=C1)C2=CC=C(CCN(C)C)C=C2)[N](=O)=O,HGGNJBQDARDJNE-UHFFFAOYSA-N
+54B1E2A612AE5B36_39FBF4E5123EF4A3_6026_UN,[S](=O)(=O)(C1=C(C=C(C=C1Br)Br)Br)NC3(C2=CC=CC(=C2)OC)CCC3,UPNFUKMIJCTIET-UHFFFAOYSA-N
+55577AB9C20EDF6C_2CBE56A8DDC2C5B0_6029_DP,CN(C)C1=CC2=C(C=C1)CCCN(C2)[S](C3=CC=CC4=C3CCNC4)(=O)=O,ZCYRCEDSDMWLOE-UHFFFAOYSA-N
+594F886DC9EF1CC3_BDAB9FD37FF84866_6039_DP,O(CC2CCN(CC1=CC=CO1)CC2)CC4OCC3(CCNC3)C4,AVZGNUZUSMEOPC-UHFFFAOYSA-N
+59F403C780B7327F_A616A825D8E61C44_6029_UN,N(C1=CC(=C(C=C1)F)C2CC2)[S](C3=CC=CC(=C3)C4CC(F)(F)C4)(=O)=O,NHQSKGTVBHNVJQ-UHFFFAOYSA-N
+5A6EF285DAE50E10_062DD862D4F40F11_7019_UN,C(C1CCCCCC1)=CC3=CC(=C2OCCOC2=C3)Cl,XWJRHXLBVYZGPW-UHFFFAOYSA-N
+5ADCA157FA906FF4_66553A3BE76FEDD6_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(CC=C)CCCCC4,BYJNWKIGSZDLCN-UHFFFAOYSA-N
+5B52E9E7D5FCCB4C_70044EFEB3D48181_6029_UN,C1C3C(CN1[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)C4OC3C=C4,XWUXTJMRCZLTMC-UHFFFAOYSA-N
+5D2B034D73DF11C6_0F9449FAA0868335_6039_UN,O(C2C1CCOC1C23CCCC3)CC4=CSC(=N4)C(C)C,ROTWUMNWGXWZSF-UHFFFAOYSA-N
+5DFBDE95E3DC0B0F_E9647C1E06CF716C_6039_DP,O(CC2CCN(CC1=CC=CO1)CC2)CC4OCC3(CNC3)C4,ZBHBJPDZSWWXJD-UHFFFAOYSA-N
+5E7A9901E3AF6119_F7391872B92F334E_6034_UN,CC1=C(C3=C(N1CC2(CC(C)C)CCCN2)C(=CC=C3)Br)C,ALOATOVQKZKAHU-UHFFFAOYSA-N
+607B3AA946081343_18821E205E020FB1_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)NC4=CC(=C(C(=C4)F)N5CCCC5)F,QIHCFYXIGQDVJB-CABCVRRESA-N
+60C14BE0F2E1D5B9_16D4EA3C17A2382E_6039_UN,O(CC2CCOC1(CCOCC1)C2)CC3=CC(=CC=C3)CC=C,PJWYQRDIXOPLIC-UHFFFAOYSA-N
+60CCAB1637105064_6538AF151D9D6FFD_6041_DP,CN(CC1CNC1)C2=NC(=NC=N2)NCC3CC4=C(C(C)CC3)C=CC=C4,HVRMTXSNYZLUFU-UHFFFAOYSA-N
+61CA6211B7CE28D8_2F74A5951AC40AA5_6029_DP,N4CCC1(CCCN(C1)[S](C3=C2C=CC=C(C2=CC=C3)C#N)(=O)=O)CC4,MAIZBYSSZSAQKQ-UHFFFAOYSA-N
+626FF91D360B09EA_7BAFBAD7DAE0EB8E_7022_UN,CC1=CC(=CC(=C1)NCC2=CN=C(OCCOC)C=C2)[N](=O)=O,XCKYAGVYHVELDN-UHFFFAOYSA-N
+6305B1A9459135BA_C09969761A47D69B_6039_DP,O(CC2(CC1CO1)CCOCC2)CC4CCC3(CNC3)O4,NHNDNGVOAHUVAS-UHFFFAOYSA-N
+63414C6D248AC1DB_F19A080796C48DB5_6039_DP,O(CC1(CCOCC1)C=C)CC3OCC2(CCNCC2)C3,RVWCAYWFHGETSM-UHFFFAOYSA-N
+6393B4C25F373DB6_1CEE096D2EF3E043_6039_DP,CN2CC[C@@]1(COCCO[Si](C(C)(C)C)(C)C)CNC[C@@H]1C2,LOLWWAGABYEISA-WBVHZDCISA-N
+6393B4C25F373DB6_256E0405D5FA47F0_6039_DP,CN2CC[C@@]1(COCCO[Si](C(C)(C)C)(C)C)CNC[C@@H]1C2,LOLWWAGABYEISA-WBVHZDCISA-N
+6444A6047D8B6EF4_9D8603DBEB3AF4D5_6039_DP,COC4C(OCC1=CSC(N1C2=CC=C(F)C=C2)=NCC3OCCC3)CCCCN4,PJZTWQHAQKFYDT-UHFFFAOYSA-N
+644A96718167ACD0_07A8D7B434D58ACB_6029_DP,N2CC1=C(C=CC=C1)CN2[S](C4=CC=C3OC=CC3=C4Cl)(=O)=O,WIEDENMTSHUFMH-UHFFFAOYSA-N
+6480A36266786242_B1B348BBCEA5E6EA_6041_UN,COC1=CC(=C(C=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)C,XJDKPXWOVXYRHS-UHFFFAOYSA-N
+65274D896C0C655B_F1567027AD1BDF8E_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC3=CC=C(C2=CC=C(OC)C=C2)S3)[N](=O)=O,VWAMLIXNOOTHOY-UHFFFAOYSA-N
+652C21E8288B39DA_D168B3E710764273_6041_DP,N1CCC2=C1N=C(C=C2)NC3=C(C=CC(=C3)F)[N](=O)=O,NSRGMLACQVXCRR-UHFFFAOYSA-N
+6670E32F16DE7891_1A670A0DDB72E5FD_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NCC2=NC=CC(=C2)OCCOC,CPKUVETZNBFECV-UHFFFAOYSA-N
+667225DFA4CB124C_46EABE5F2C8571BE_6029_UN,C1C3C(CN1[S](C2=C(C=C(F)C=C2)CBr)(=O)=O)C4OC3C=C4,GQNYBAIXXSTCTI-UHFFFAOYSA-N
+6792C00628D5CF1A_129F3B144AA6DAB1_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=CN=C3)NC4=CC(=C(C(=C4)F)N5CCCCC5)F,VLKFLXYSIUBFJZ-CVEARBPZSA-N
+681C7F07A4F22B4B_C6FECF2F06BAC02B_6038_UN,COC1=CC(=C(C=C1)CNC(C2=CC(=C(CC)C=C2)[N](=O)=O)=O)C,ADYYUJCWKOHQMG-UHFFFAOYSA-N
+685C8AED046CCBB3_A951284BD5A80F10_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC3=CC=C(OC2=CC=CC(=C2)OC)C=C3)[N](=O)=O,RNTLKEAZZNEBGX-UHFFFAOYSA-N
+69437C1B5C376DEB_7E6377D90D564A6E_6039_UN,O(C2C1CCOC1C23CCCC3)C[C@@H]5C[C@H]4COC[C@H]4O5,WETUQBBPCDTNFC-IUUAHPMZSA-N
+695E45E9A8320B1D_701AFDD5461EA8B4_6026_UN,COC1=CC=C(C=C1)[S](=O)(=O)NC2=C(C=C(OCCN(C)C)C=C2)F,RJNDJUZVPYRYTE-UHFFFAOYSA-N
+69CCB97800CF809D_D3F872309863D4F7_6039_DP,N4CCOCC(COCC3CC1(CC2(C1)OCCO2)CO3)C4,UMSFXIYYFDURIJ-UHFFFAOYSA-N
+6A2127F77E545BC5_9349373414AEF0EB_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCCCCC3)CC4(NCCCC4)CC=C,LULHUNCVUMHGNB-UHFFFAOYSA-N
+6A3258D2F9B28068_6932FC8FB464838A_6029_UN,N(C1C3CC2CC(CC1C2)C3)[S](C4=CC=CC(=C4CBr)F)(=O)=O,GOTHBGWVGFVISJ-UHFFFAOYSA-N
+6B15B7A89763794F_9D7C141C9318C2AA_6039_UN,O(CC1=COC(=N1)C2CC2)CC4COC3(CCCCC3)O4,GSSJHLMOKMUVQL-UHFFFAOYSA-N
+6B1B021DEA44B9C7_3AC5C99779E33998_6041_DP,C1(=CC=C(C=C1)CN2CCOCC2)NCC3(CNC3)COCC[Si](C)(C)C,NHDSXLVGUBZNJD-UHFFFAOYSA-N
+6B1B021DEA44B9C7_5FB12F839D989ACA_6041_DP,C1(=CC=C(C=C1)CN2CCOCC2)NCC3(CNC3)COCC[Si](C)(C)C,NHDSXLVGUBZNJD-UHFFFAOYSA-N
+6B1B021DEA44B9C7_EAA21A3CD2C5B050_7022_DP,C1(=CC=C(C=C1)CN2CCOCC2)NCC3(CNC3)COCC[Si](C)(C)C,NHDSXLVGUBZNJD-UHFFFAOYSA-N
+6B283232BABEADF1_89F3DB6B23FA232B_6034_UN,O=C1C=CN=C(N1CC3(CC2=CC=C(C=C2)F)CCNC3)C4CCNC4,WXBQOSZVMQJQSO-UHFFFAOYSA-N
+6C659F266A7C57C0_6D4853F89D3C9104_6039_DP,N3CCC(OCCN1CCOC(C)C1)(CC2CO2)CC3,DTCIAIWNBLDUSB-UHFFFAOYSA-N
+6D0BF9944BF09DC9_7DFC747C9D9432EA_6034_UN,CC2=C1N(C(SC1=CC(=C2)Cl)=NN)CC3(OCC)CNC3,BYZLBDOSOOCWKK-UHFFFAOYSA-N
+6D2DD73177D0F3FA_BDE7DE113D88E10C_6041_UN,FC2=CC(=C1OCCC1=C2)N[C@H]3[C@H](OCCC(C)C)CCCC3,CQYJFKCOERGYRR-SJLPKXTDSA-N
+6D6469951ED488BE_1113E608EAC705C8_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(N(C)C)C=NC=C2)[N](=O)=O,UNXZMPGACREXPC-UHFFFAOYSA-N
+6D90B74E8B6CB807_40829B0B7011C534_6026_UN,FC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2C3=C(C=C(OC)C=C3)OC)Br,OEGCAZVFJVJEEA-UHFFFAOYSA-N
+6F2C72E2D583C233_CEE64157BCBF7DA0_6039_UN,O(CC1COCCCO1)CC2=NC=C(O2)C3CCOCC3,KUTFTHSUIZDAQB-UHFFFAOYSA-N
+6FACA705E227C30A_6AACC4EF125E3C13_6039_UN,O(CCCC1OCCO1)CC2CC3(CO2)CCCCC3,HFSZSLOEHPALOW-UHFFFAOYSA-N
+6FF3FB28C62E7D8E_1FAEBC3A3DE9D03A_6039_DP,N4CCC(OCCC2COC1(CCCC1)O2)(CC3CO3)CC4,SBVORTDCHBJONM-UHFFFAOYSA-N
+719A90CF9626C28B_6D7DB7138C179D82_7013_UN,N3=C(C1=NC(=NO1)C2CCC2)[N](C4=C3C=CC=C4)C5CC5,JOUUJRCVPGECNF-UHFFFAOYSA-N
+72765B30DF9C0D03_75768CAC9D0D5E08_7022_UN,C1(=CC=C(C=C1)[N](=O)=O)NCC2=C(OC)C=CC3=C2C=CC=C3,ZGHDOSSRBCUAHH-UHFFFAOYSA-N
+72FAC5806E4444B0_551B9206DA6F5B8A_6039_UN,CC(OCC1=NO[C@@H]2CCC[C@H]12)C3=C(C=CC(=C3)C)OC(F)F,LTAFJRZOLITENV-ZLXOECBPSA-N
+738DA1C95C55DF8B_1EDFADAF8E64E788_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(C(=C(C)C=C4)C#N)F)(=O)=O,YLYKAAHNQCJEBX-UHFFFAOYSA-N
+73B956538F169DBC_7F132C2D56B317FF_6039_DP,O(C1CCOC(C1)C2CCOC2)CC3=NC(=NO3)C4CNC4,SBZDHRKMEOKBSE-UHFFFAOYSA-N
+74D7D34DCFFB5AF8_D0AF5D1E92818760_6029_DP,N#CC1=CC=C(C=C1)C2=CCN(CC2)[S](C4=CC3=C(CNC3)C=C4)(=O)=O,ZXENJRZDHYULAJ-UHFFFAOYSA-N
+75564B959DB92C70_0F652BF0D07DF538_6029_UN,N(C1C4C2CC5C3CC(C1C23)C45)[S](C7=C(OC)C=C6N=CC=C(C6=C7)Cl)(=O)=O,KYNDXPXVJZTBQW-UHFFFAOYSA-N
+76A50A9746AE9BF5_3BD3378ABEACBA1F_6039_DP,N3CCSC(CCOCC2COC1(CCOCC1)O2)C3,ZYGHYAMYUUKAJN-UHFFFAOYSA-N
+77B10DC3D1D94B97_1A36AA4A73E0F48C_6039_DP,N3CC(OCCN1C(C)COCC1)CC2(CCOCC2)C3,QCOFTHLLJNTKEU-UHFFFAOYSA-N
+7941F1B43A6DB421_8782A35778C6A5F6_6041_DP,CC(C)C1=C(C2=C(N=C1C)C(=CC=C2)F)NCC4C3CCCCC3NC4,GDBIBIPRIRAHOY-UHFFFAOYSA-N
+796A3FF4D5ABF255_A87A18FF86E63C48_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2CCCN(C2)C3CCCC3,YUPUDWFIRDZFFC-UHFFFAOYSA-N
+79CDFF97EDE5E1CB_21A2BCE71317DB7C_6035_UN,O(CC=CC1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)NCCNC4,UEMILJYSYHUQPZ-UHFFFAOYSA-N
+7A89FAA38D437E14_5636302948DCEC37_6029_DP,N2CC3(N[S](C1=C(C(O)=O)C=CC=C1F)(=O)=O)CC2C3,GDHMSISGYJTJFD-UHFFFAOYSA-N
+7EDCCBB70B66888C_954A6F8F013CC458_6034_UN,ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(CC=C)CCCCC4,DDCFDEDVKFJFBY-UHFFFAOYSA-N
+7FD3E44AE90DCFD5_48AC53AF719E38CF_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)I)N2C4CCC2CC3(CC3(F)F)C4,GFFKGRMTTVEVLN-UHFFFAOYSA-N
+807AF08C996EFCDE_331B07C5F58A6255_6039_UN,O(CC1=COC(=N1)C2CC2)CC4COC3(CCOCC3)O4,RLNVSCOBTKDUGU-UHFFFAOYSA-N
+826AF4A1F66FBB0D_03FE2B13291072D1_6028_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=C(OC)C=CC=C4Br)(=O)=O,JTBRRZRCUGDZNX-UHFFFAOYSA-N
+826FCCB19E708AEF_098FA13073AF7C29_7017_UN,CC1=CC(=C(C=C1)[S](=O)(=O)N3C4C2=C(C=C(C(O)=O)C=C2)C3CC4)Br,FTCVOIGZMYVHEH-UHFFFAOYSA-N
+8333457968363542_621484888089C6EE_7019_UN,C(C[C@]12C[C@H]1CCC2)=CC3=C(C=C(OC(C)C)C=C3)Cl,FKOXTGBPMTUBQJ-QAPCUYQASA-N
+843915F673756FAD_CAA0E9ED1971E26C_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)NC4=CC(=C(C(=C4)F)N5CCCC5)F,NOVOZZWNZVBVNB-CABCVRRESA-N
+8447855A7638FB5C_5148705596A80FC9_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CCCCC4,RAAAUTJHCRUSGZ-UHFFFAOYSA-N
+8465AFA06EB51C93_1CA1FF2815A7FA37_6039_DP,O(CC2(CC1CO1)CCCC2)CC3CNCC4(O3)CCC4,PNMKQRNDEJVGIQ-UHFFFAOYSA-N
+84AB055C798304DF_1ACFB7F66D9C32C7_6026_UN,COC1=CC(=CC(=C1)OC)[S](=O)(=O)N2C3CCC2C4=C3C=CC=C4,ZXXJCBHVQWOKQR-UHFFFAOYSA-N
+853DCF37185AEDD2_406E9AE022F068B4_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)NC[C@H]3NC(O[C@@H]3C)(C)C,IXHQUPBLQCMMQV-AUUYWEPGSA-N
+855C5F75C450194F_9637A2B1DA4F589C_6034_UN,OC2=NC1=C(C=CC=C1Cl)N2CC3(NCCCC3)CC=C,DMMZFSNOPGYARB-UHFFFAOYSA-N
+85B2CE3AFDE0B551_2A875C47AA9E96AD_6035_UN,NCC(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)COCC3CC3,VWVKKPXJKXYEOI-UHFFFAOYSA-N
+87F46E24FDACE47B_62850EA0A3AF011C_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)Br)N2C4CCC2CC3(CC3(F)F)C4,CGKHQXKOSBVYNO-UHFFFAOYSA-N
+8819067201299E66_074E0A02FE9F1242_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC(=CS2)C3=CC=C(OC)C=C3)[N](=O)=O,LUBWDDTUTFTFHC-UHFFFAOYSA-N
+8848E6E26EE3588C_D8D968726E65F7CB_6039_UN,O(CC1(CCCC1)C2CCCO2)CC3=NO[C@@H]4COC[C@H]34,HLJNUDREPBYFER-QRYBPTEFSA-N
+885BE4B30BB24422_CC4F80B295E9DCB5_6041_UN,CC1=CC(=CC(=C1)NCC2=CC(=CC(=C2)OC)C)[N](=O)=O,CPZBMQSJUDFRMD-UHFFFAOYSA-N
+88B8D35E452FB982_4A1325A9E514E314_7022_UN,COCOC1=C(C=C(C=C1)C(C)(C)C)NC2=C(C=CC=C2)[As](=O)(O)O,SFNREIFYELETQR-UHFFFAOYSA-N
+8A21C38B6834DAEA_AA4C56065CEF65B9_6039_UN,O(C2C1CCOC1C23CCCC3)CC4=CN=C(O4)C5CC5,CICPCGWMEOPDTB-UHFFFAOYSA-N
+8A57006137EB3355_9A6561354DBEC4BD_6028_UN,N(CC23CC1CC(CC(C1)O2)C3)[S](C5=NN=C(C4=C(OC)C=CC(=C4)Cl)[NH]5)(=O)=O,CQVJXYHSIFFMDK-UHFFFAOYSA-N
+8A7EEB483A0C6297_591AF6474A541491_6038_UN,N(CC1=CN=CC=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,PZIFUGYCIOTOOY-UHFFFAOYSA-N
+8E1B5191411919CE_C24B0732F677A4C0_6028_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC(=C(C=C4)C#N)Cl)(=O)=O,SOQDYHOXGMRQGZ-UHFFFAOYSA-N
+8E67A47370E88011_EEBCC5FBCBE08FC4_7022_UN,CC1=C(C=CC(=C1)O[C@@H]6CC5=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC=C3C4=CN=CC=C4)[C@]5(CC6)C)F,JTIIUCTZDNFIPU-WXFBTVQKSA-N
+906749ADE3ADB2E4_AC56350C3C6DACF5_6039_UN,O(CC2CCOC1(CCOCC1)C2)CC3=CC(=CC4=C3OC(OC4)C5=CSC=C5)F,XBXLMWNPTBCPNL-UHFFFAOYSA-N
+9105945E4B3DFF16_93779FFD445AD546_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C)C=C(C=C1C)Br)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,LXKUXEMKQPHZCC-LKQAWGCSSA-N
+9383D9276C9B6F67_2FA3EAFA35B390D4_6039_UN,O(C1CCOC(C1)C2CCOC2)CC3=NC=C(O3)C4CCCCC4,AEWWDBJKWKJZNZ-UHFFFAOYSA-N
+96D7BF70F20E6C31_335C72CE4BD43FB2_6029_UN,N(C12CC(C1)(C(F)F)C2)[S](C3=CC4=C(C=C3)C(=C)CC4)(=O)=O,GOLDABVLFMRICM-UHFFFAOYSA-N
+9751C73E65167D20_3EC81268C38F97B3_6038_UN,N(CC1=CC=NC=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,WJJKTPMJHFYWQR-UHFFFAOYSA-N
+988079D5CBC2C9B7_3D87C709BAEAC4C9_6039_DP,N3CCC(OCC1=NC(=NO1)C2=CC=CO2)C34CCCC4,WJMNWMHAYSFROR-UHFFFAOYSA-N
+99DA45E6BDCBE450_4136BAE9DF744346_6039_DP,N3CCC(OCC1=C(ON=C1)C2=CC=CO2)C34CCCC4,MCFICVBRPVNOEA-UHFFFAOYSA-N
+9A33BE58F3C1DDD3_8A9BF7DADAEEE421_6039_DP,O(CC1CCCN1CC2=CC=CO2)CC3CNC4(CO3)CCC4,LQAUFVRGVNEDQT-UHFFFAOYSA-N
+9A382E5938278308_5DE3EAF612EAF8B0_6039_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=NOC(=C3)C4CCCC4,FKSLXCUYXJDXAT-AEGPPILISA-N
+9A395A71FFD212D8_5A6E7F79F6441896_6041_UN,CCC1=CC=C(S1)NC2=C(C=C(C(C)=O)C=C2)[N](=O)=O,IUFDLTBEHBIFPQ-UHFFFAOYSA-N
+9ABAFDFE9D45C56D_36E89D3013FF37B9_6039_UN,O(CCCC1CCOCC1)CC3CCC2(CCOCC2)CO3,KWFXGOCAUGIASR-UHFFFAOYSA-N
+9ABCC536BD7FFCBD_98F8CC1985546D2E_6029_UN,N(C1C3CC2CC(CC1C2)C3)[S](C4=C(C(=CC(=C4)O)F)Cl)(=O)=O,VOPJJVAMTOWKTI-UHFFFAOYSA-N
+9B494A032D806F01_20DF5F88346890B6_6038_UN,N(CC1=C(SC=C1)[S](=O)(=O)N)C(C2=C(C=C(OC)C=C2C)F)=O,HZHPDSWZWRJFPU-UHFFFAOYSA-N
+9C81E7AB7B97814F_2D997BBD707E7316_7022_UN,COCCOC1=CC(=CC=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,SXULTVOMYOTRAH-UHFFFAOYSA-N
+9C81E7AB7B97814F_C70020EC0AC782D9_6041_UN,COCCOC1=CC(=CC=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,SXULTVOMYOTRAH-UHFFFAOYSA-N
+9E80EDB5A0E65D85_AE75DA15BF978475_6034_DP,C1CNCC(C1)C3=CC2=C(C=CC=C2)[N]3CC4CNCCNC4,MVWOUCSRWIZRTM-UHFFFAOYSA-N
+A1648301FEBD1496_8245CFB6BDDBA315_6029_DP,N1C2CCC1C3=C2C=CC(=C3)N[S](C4=CC(=CC=C4)C#N)(=O)=O,QDAWOLKPTLOWSL-UHFFFAOYSA-N
+A2AF5E2B92844A45_DA0D4D2D0156FEA5_6029_UN,C1C3CC(N1[S](C2=CC=CC(=C2CBr)CBr)(=O)=O)C=CC3,MTTQBJBURXRYSX-UHFFFAOYSA-N
+A2E8F91D69A0BCCC_03065076C93391A2_6034_DP,N1CCC(CC1)C3=NC2=C(C=CC(=C2)N)[N]3CC4=C(N=C(SC)N=C4Cl)Cl,AFGJACPYYOBRIY-UHFFFAOYSA-N
+A302BBBAF8A46C81_8763C87B1D8945A7_6039_DP,N3CCC2(CC(OCCN1CCOC(C)C1)CO2)CC3,BJVVGYPAVAFDJP-UHFFFAOYSA-N
+A36ADD009DFBF661_ED170886754A3F9E_6034_UN,ClC1=CC2=C(C=C1)N(C(=N2)C3CCCCN3)CC45CC(C4)C5,UMNVABFJFOJXMB-UHFFFAOYSA-N
+A3ED7A2CDDC5D1AA_50FEA29E7520C035_7022_UN,C1(=CC=C(C=C1)[N](=O)=O)NCC2=CC=C(CCN(C)C)C=C2,CKOQFFXHRVKNQC-UHFFFAOYSA-N
+A4FA15CC12258E6A_91B1B6C19A2110CF_6035_DP,N4CCC1=C(C=CC=C1COC2=CC3=C(C=C2)C(=O)OC3)C4,ZKZCOVAFYRANEK-UHFFFAOYSA-N
+A6CEA91104FCB81A_7FCC11E0F635EE7C_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NCC3=C(C=C(CC)C=C3)F,HOIHOSFXVYNNQI-UHFFFAOYSA-N
+A7D6F2F01DF1920A_E011A0D1F7981BA4_6035_UN,CN(C)[C@@H]3CCC[C@@](N)(COC1=C(C=C(C=C1)CN2CCNCC2)Cl)C3,XLIICGWHVDEECW-XLIONFOSSA-N
+A8B2F29036C99820_141EE9DCDCF0E880_6029_UN,C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC(=C(C=C4)C#N)F)(=O)=O,OGRFIIJLQHMWAK-UHFFFAOYSA-N
+A99634BC45A44376_7E8322236E1A8895_6039_UN,CC1=C(C=C(C(=C1)OCC3=NC2(CC2)CO3)C(C)(C)C)F,MABURMQHBDYHMK-UHFFFAOYSA-N
+AA2EE709AD80CE27_176003C4140601AB_6034_UN,FC1=CC2=C(C=C1)C(=CN2CCC(CCN(OC)C)C)C3CCNCC3,JLPDMSSRVMVNTG-UHFFFAOYSA-N
+ABE5D3210EE9C0B9_A9AE6EF17FC71CCD_6039_DP,O(CC2(CC1CO1)CCOCC2)CC4CC3(CCNCC3)O4,WJDJSSKWTVZOSZ-UHFFFAOYSA-N
+AD6C17A6D4651F97_AC0A3A9D1DE824BB_6039_DP,O(C1CSCC2=C1C=CC=C2)CC3=CC(=NO3)C4CCNCC4,KPGZREKDZGDLIP-UHFFFAOYSA-N
+AD986CE165EAE3D2_7C92E3B84BD36DE2_6039_UN,C[N]1C=CC(=N1)C(OCC2=NO[C@@H]3COC[C@H]23)C4CCCCC4,KNNWZBQJEFEJTQ-ZIAVVELASA-N
+ADC6ADE2615F8349_321DDEF0B46E3AC0_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(N(C)C)C=CC=C2Br)C,YXWWXTJXZZGETL-UHFFFAOYSA-N
+AE10DD060EC16251_BF925EDFBF6EEA30_7019_UN,ClC1=CC(=CC(=C1)Cl)CC=CC3=CC(=C2OCOC2=C3)C4CC4,BEECZETUJIJGTP-UHFFFAOYSA-N
+AE21813F83DADC2E_B3919F0199E8FA94_6038_UN,COC1=C(C=C(C=C1)NC(C2=CC(=C(CC)C=C2)[N](=O)=O)=O)C,JUMAZYUKFSQLDZ-UHFFFAOYSA-N
+AE849B361ADB9ECD_EB81E1E82A99FC90_6039_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=NOC(=N3)C4CCOCC4,IUUJKLNNFZIZFT-COPLHBTASA-N
+AF8BDD7C7EF9AA6F_2E88D70D6134AA24_6041_DP,CC1=CC(=C(C=C1)NC2=C(C=C(C(O)=O)C=C2)F)[N](=O)=O,VWPZPPPTFHKANG-UHFFFAOYSA-N
+B03D360F82E38C50_4E90A3F37E6C966E_6026_UN,CC1=C(C=C(C(=C1)[S](=O)(=O)NC2=CC(=C(OCCCOC)C=C2)OC)C)[N](=O)=O,VBFJYYFMRCREIW-UHFFFAOYSA-N
+B0FDDF3B509E0925_BE44700F784B6705_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(C3=CC2=C(C=C(N(C)C)C=C2)C=C3)=O,FFOBWKNIHHVKGT-UHFFFAOYSA-N
+B250809C5B5949A2_BC95F3102D76407A_6039_UN,O(CC2CCOC1(CCCC1)C2)CC3=CC(=CC4=C3OC(OC4)C5=CSC=C5)F,TZEILICTXHETIP-UHFFFAOYSA-N
+B318FD337AF223CC_8FC525CB5A7822EE_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)NCC34CCCNC3C4,DDOPLHULXKBGAL-UHFFFAOYSA-N
+B39D23EED916ACAE_4A32175A3554125B_6028_UN,N(C1C4C2CC5C3CC(C1C23)C45)[S](C6=C(C=C(OC)C=C6)Cl)(=O)=O,JEZHLNLJGOUIOL-UHFFFAOYSA-N
+B474BE2E44EE91D0_13D33CB5144212C2_6005_UN,FC1=CC(=C(C=C1)[S](=O)(=O)Cl)C2=CC3=C(C=C2)C=C(O)C=C3,SUTARWQESQWASE-UHFFFAOYSA-N
+B4944BDD304CAD3C_3C196E83AB1A8378_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(F)C=C(C(=C4)CBr)F)(=O)=O,KGLJFTRIMBCMLV-UHFFFAOYSA-N
+B58B2A3F3F2345B8_68B3695DD9906F28_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC2=CC(=C(C=C2)F)N3CC[S](=O)(=O)CC3,LTBPFVDYFNLUPY-UHFFFAOYSA-N
+B88596EE3D19116B_7913EF3A654A62AD_6034_UN,FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CCC(CCN(OC)C)C,IXKDUWMOYXYTHJ-UHFFFAOYSA-N
+B9C3AC59EC9758AE_3F652D3BEBB2AF30_6039_UN,O(CC2CCOC1(CCCC1)C2)CC3=NC=C(O3)C4CCOCC4,AVAFCDABZIHJLA-UHFFFAOYSA-N
+B9EC43B930FEB00D_01A5298FA70E8723_6028_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=C(OC)C=CC=C4Cl)(=O)=O,CDIYZQSOSXIKMR-UHFFFAOYSA-N
+B9ED753113AF4DD0_7A6FB055B630A59B_6035_DP,O(C1(CNCC1)C2=CC(=CC=C2)F)C3=CC=CC(=C3)CN,SNPYHVRPADAWAL-UHFFFAOYSA-N
+BB7F7CD68D6A0B0C_17C4B7B56ABD93BA_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NC2=C(C=C(C=C2)C3CCOCC3)F,LXUKGMSBAKUWDU-UHFFFAOYSA-N
+BD2689028D188C85_DF996F79AA211073_6038_DP,N1C2CCC1C3=C2C=CC(=C3)NC(C4=C(C)C5=C([NH]4)C=C(C=C5)F)=O,ACLUYBBNNLWHDO-UHFFFAOYSA-N
+BD40F0BA70C8D29D_A414198B9625F8B2_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=C(CC)C=C2,FLWVAZKACGKBEH-UHFFFAOYSA-N
+BDB6C256C6076F40_BE04E088518D0005_6029_UN,C1N(CCC2(C1)C=C2)[S](C4=CC3=C(C=C(O)C=C3)C=C4)(=O)=O,NPOLJXMDTVVXOV-UHFFFAOYSA-N
+C013498870A3D0AE_0BC8FE19664DE08F_6026_DP,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3C2(CNC2)CCOCC3,MMVINANHIIBMLK-UHFFFAOYSA-N
+C06D1207964A271B_E24262129934BE1D_6039_UN,O(CC2(CC1CO1)CCCC2)CC4CC3OCCC3O4,GTZBFYXKPXGZFR-UHFFFAOYSA-N
+C0B536C8414AB8E1_12E840056CCE854C_7022_UN,COCCOC1=CC(=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,AFVFATNAZAEVAQ-UHFFFAOYSA-N
+C0B536C8414AB8E1_F8711B5416777483_6041_UN,COCCOC1=CC(=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,AFVFATNAZAEVAQ-UHFFFAOYSA-N
+C295FC47DED527A1_D0D71BD0E916A2BB_6034_UN,FC1=CC2=C(C=C1)C(=CN2CC3(CC=C)CC=CC3)C4CCNCC4,FJXWWTLKGWHXSR-UHFFFAOYSA-N
+C2B774B8BFECE42F_8615E50AA7EB9E0E_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(COC)C=C2)OC)C,TXRIQRIUMQALJA-UHFFFAOYSA-N
+C3343D4C5A956CD5_DD2BEF1986224D16_6039_UN,O(CCC1CCCC2CC12)CC3CC4(CO3)CCOCC4,WRGQUOBJYCLZCX-UHFFFAOYSA-N
+C338767519066444_8DB6F3031D6EAD09_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC(=C3)Cl)F,JRUDDDBMPADSJF-UHFFFAOYSA-N
+C52E9323914E92BD_5A1EAFC8195F7BD1_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=C(O)C=CC(=C4)Cl)(=O)=O,NCXZFHCYYOWDER-UHFFFAOYSA-N
+C585CD47B8B9EB98_51BB0804A9EFCE65_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)OC)COC)C,IMSGUAZSHJUJOD-UHFFFAOYSA-N
+C7272181C9F6090E_77F19A7CC1B61D27_6041_UN,CC1=CC4=C(C(=C1)NC2=C(C=C3C(=C2)CCC3)[S](=O)(=O)O)OC=C4,MLGMAYAEAYZHEY-UHFFFAOYSA-N
+C7ED65F87530C36F_80780FCEEEFF6588_6035_UN,CN(C)CC(OC1=CC(=C(C=C1)OCC2CC2)Cl)CN3CCNCC3,UXYQGWINQGXDTC-UHFFFAOYSA-N
+C9B2B93F2B2F3829_6AC3BEFD50D78A22_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4(NCCCC4)CC=C,QRKJACIEJBWYHZ-UHFFFAOYSA-N
+CADA4DF781E70E68_CDB4E423053AC875_6041_UN,COC1=C(C=C(C(=C1)NCC2=CN=C(OCCOC)C=C2)[N](=O)=O)C,LECWVTUCYAEDPD-UHFFFAOYSA-N
+CB43675E3E5BDA53_189F44E6442729AD_6041_UN,ON=C1CCCOC2=C1C=C(C=C2)NC3=C(C=CC=C3)[As](=O)(O)O,JTRLAFFQMHCWOI-UHFFFAOYSA-N
+CB9D3AC2FAA7993A_8D87AAC2EFA49461_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC=C3Cl)Cl,UOPCJYVARXAHDX-UHFFFAOYSA-N
+CCC732463849866C_B13B4CFE5F206BD8_6029_DP,N1C3CCC(N1[S](C2=C(CCCCl)C=CC=C2)(=O)=O)C3,YPARMSWDPDAFCV-UHFFFAOYSA-N
+CD9F19E1948C31D8_044E50DA4B5A6612_6039_UN,O(CC1CCCC1OC2CCCCO2)CCC3COC3,GWZCJYCFFDMHFU-UHFFFAOYSA-N
+CF4AB18D39F68CB1_F7653B3482B531DC_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)OC[C@@H]3NC(OC3)(C)C,VSTIYDYLXOUHCE-INIZCTEOSA-N
+D160D1FE88889592_1C6AF7FAB7C08F83_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CC=CC4,IWAKMDPMSBZODT-UHFFFAOYSA-N
+D2002ACDC003AAE6_FC57953945A7003B_6038_UN,N(CC1=C[NH]C=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,OPMPHKNUQJGIJE-UHFFFAOYSA-N
+D32C12E8A29E1764_30F2803A8A637E15_6039_UN,O(CC1(CCC1)C2CCCO2)CC3=NO[C@@H]4COC[C@H]34,LTBYJHINNZLFNY-AYBZEELNSA-N
+D380FAE49D01553A_4F644E9FD4D7111E_6038_UN,COC1=C(C(=CC=C1)NC(C2=C(CC)C=C(C=C2)[N](=O)=O)=O)C,XEMQAVPGFOVNCZ-UHFFFAOYSA-N
+D478F719F5EEAFE7_54DE5FED55092361_6041_DP,N1CC4(C1)CCN(CC2=NC=C(N=C2)NCC3=CC(=C(N(C)C)C=C3)F)CC4,QZHRISRVHJQJLX-UHFFFAOYSA-N
+D5D09A9D2849A282_9696BD1D59FA0B4C_6029_UN,N(C1C4C2CC5C3CC(C1C23)C45)[S](C6=C(C=C(OC)C=C6)F)(=O)=O,UMVHQQJBQHXBGF-UHFFFAOYSA-N
+D5DE634D39561609_B077ADE49CD66666_6041_UN,COCCOC1=C(C=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,QZGOUGFVNPIVQI-UHFFFAOYSA-N
+D5ED628A98CFDC71_F3AA1B72A2198AEE_6039_DP,N3CCC(OCC1=NC(=NO1)C2=CC=CO2)C(C3)C4CCOC4,JDDALTABIQJIOX-UHFFFAOYSA-N
+D87AFE46F8B8C08C_094F1CE76B75B70D_6029_UN,N(C1C3CC2CC(CC1C2)C3)[S](C4=C(CC)C=C(C=C4)F)(=O)=O,OAXWKMLVKNOPGK-UHFFFAOYSA-N
+DAA5BC746E0F319C_F83EEF982C032F2E_6035_UN,O(CC1=CC2=C(C=C1)OC(=N2)S)C3=CC4=C(C=C3)NCCNC4,BCVBCXPGNCBHRL-UHFFFAOYSA-N
+DAE45793BCBB6B4D_194C2BCA40B4E3BF_6039_UN,CC1(CONC1)OCC2=CSC(N2C3=CC=C(F)C=C3)=NCC4OCCC4,SZGSZXRDYJFYOK-UHFFFAOYSA-N
+DBAC4869B9974874_D997556914F14659_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)OC[C@H]3NC(OC3)(C)C,VSTIYDYLXOUHCE-MRXNPFEDSA-N
+DC3801C31273FCE5_90A028FD1D0825F9_7022_UN,C(=CC1=CC(=CC(=C1)F)F)NCC2=C(C=N[N]2C)C3CCC3,BNWPWCKJERSAOB-UHFFFAOYSA-N
+DCC3733C1AC9A39A_CE80DB2F28EABF11_6028_UN,C1CN(C3(C1)CC2=C(C=CC=C2)C3)[S](C4=CC(=C(C=C4)C#N)Cl)(=O)=O,BWKITRCMGORVSY-UHFFFAOYSA-N
+DE90C48BF0A81785_DAC12F79F2DC51E6_6039_DP,N3CCOCC(COCCC2COC1(CCCC1)O2)C3,WOXVOMUVNFBFTJ-UHFFFAOYSA-N
+E1845CF94101BB14_0A1AAFAE26705131_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC2=CC(=C(OCCCOC)C=C2)OC)C)[N](=O)=O,ZKQJYGHSRFNCEO-UHFFFAOYSA-N
+E293E56D103D7689_684C89862CD0DC6A_6028_UN,N(C2C1C3CC4C1CC5C2C3C45)[S](C6=NC=C[N]6C7=CC=C(OC)C=C7)(=O)=O,YHOVKKOXQSCNNJ-UHFFFAOYSA-N
+E488FD9904F1AA00_59A3E8DE9577D50A_6039_UN,O(C1CCOC(C1)C2CCOC2)CC3=NC=C(O3)C4CCOCC4,KVOOHRSOTGKVOG-UHFFFAOYSA-N
+E49FCFEB55449BEF_CA83FA4A337DB086_6041_UN,CC1=C(C(=CC=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)[N](=O)=O,MGBKWWPPRJVROF-UHFFFAOYSA-N
+E4A80E11A9AAD369_D179A6C9E79CD8D8_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CCC4,XBGDMSSJMPXFNE-UHFFFAOYSA-N
+E5177A4069A8DEEF_C291B826F7DFF5FC_6038_UN,CCOC1=C(C=CC(=C1)NC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O)C,QDMZNZWERVHXND-UHFFFAOYSA-N
+E64FA128994E08E3_4A13C1B06B0D4E72_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N(C(=O)C=C2)CC3=N[NH]C4=C3CNCC4,SMFATHNPAAEZML-UHFFFAOYSA-N
+E7796C3C47C9DE44_6B85DA7506180C1D_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=C(O)C(=CC=C4Cl)Cl)(=O)=O,TXZBCTPTSDRCNY-UHFFFAOYSA-N
+E7E5B611A82945E6_B14AFB3410128098_6029_UN,N(C1=CC2=C(C=C1)SCCC2)[S](C3=CC=C(C=C3)C4(CCOCC4)C#N)(=O)=O,AAFRUBIUGRFUST-UHFFFAOYSA-N
+E97ECD9ED1D2E60B_6F2737A1555F033A_7022_UN,CC1=C(C(=CC=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)C,CIFSYUOGOAVDTP-UHFFFAOYSA-N
+E97ECD9ED1D2E60B_D59CB71196C310C1_6041_UN,CC1=C(C(=CC=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)C,CIFSYUOGOAVDTP-UHFFFAOYSA-N
+EA630091EBD298E1_9F5DCAAAA7292214_6039_DP,O(CC2CCN(CC1=CC=CO1)CC2)CC4OCC3(CCNCC3)C4,QAGSTMHMSZLQTF-UHFFFAOYSA-N
+ED97872F192AEFF1_683A17AAD2DDF569_6034_DP,CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)C[C@@]34CCN(C)C[C@H]3CNC4)Cl,DNDSLHQQRGQBNG-UZLBHIALSA-N
+EE434A52C498A717_28DC81462940A413_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,WQFRVZUYQGIUAZ-UHFFFAOYSA-N
+EF4694AAE746CE9F_8319796513BBD065_6029_DP,N#CC1=CC(=CC=C1)C2OCCN(C2)[S](C3=CC=CC4=C3CCNC4)(=O)=O,PFMHDSXQWFUBNY-UHFFFAOYSA-N
+F1AB754E05969BD4_2CCDBC772D061EE3_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)NC3=C(C=C(C)C=C3)[S](=O)(=O)O,FMBPYJRQSOLRDS-UHFFFAOYSA-N
+F21E5F19F1DD298D_AEB5FDE3EDAE5CAB_7022_UN,CC1=C(C=CC(=C1)O[C@@H]6CC5=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC=C3C4=CN=CC=C4)[C@]5(CC6)C)Cl,OUGLELZFDJVINC-WXFBTVQKSA-N
+F2DBB48B7CDE9F72_EC5E0DB14BA907AE_6039_UN,O(C2CCOC1(CCOCC1)C2)CC3=NC=C(O3)C4CC4,KMQMDHBWRKXTET-UHFFFAOYSA-N
+F2FAE23F13E3FBD1_5DA209FFAA758F90_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC(=C3)Cl)Cl,DYICBJDDWQSAMP-UHFFFAOYSA-N
+F54A0394FBC56B99_1835B295C1F0EA7E_6039_DP,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=CC(=NO3)C4CCNCC4,QBDNXFRWNBOKOZ-AEGPPILISA-N
+F593725656593E56_2BB03AF1C88F4801_6035_UN,CC2(C)[C@@H](OC1=CC(=CC(=C1)F)OC(F)F)[C@H]3CCCN[C@@H]23,RBNBYUNVCKNMNZ-MJBXVCDLSA-N
+F7DEC2041A6FFFC5_D3E0026750CB3054_6034_DP,C1COC(C1)C3=NC2=C(C=CC=C2)[N]3CC4CNCCNC4,DXSOEAKUEGVRNW-UHFFFAOYSA-N
+F8C6B81DB578652E_30F244F2FADFD3BC_6041_UN,CC1=CC(=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,GPAFUYMOEHUFNO-UHFFFAOYSA-N
+F982F97B7BFDCE3C_E277EF24A857E506_6029_UN,N(C1=CN=C(C=C1)OC2CCCC2)[S](C3=CC(=C(C=C3)I)[N](=O)=O)(=O)=O,UAJCFEAWBAKNCK-UHFFFAOYSA-N
+F9850484AA35AB2F_700EBB0ED04159C1_6041_UN,CC(C)CC1=CC=C(S1)NC2=C(C)C=CC=C2[N](=O)=O,FLRHLEVFEQMDOW-UHFFFAOYSA-N
+FA8B1590EC1445F8_BD74DDA9F28FB115_6035_UN,O(CC1(NCCCC1)CC=C)C3=C2CNCCC2=C(C=C3)F,XBIZCKKODGNHHF-UHFFFAOYSA-N
+FD77FF2E87BF43C6_4B02B0D734C4420A_6039_UN,O(C2C1CCOC1C23CCCCC3)CC4=NC=C(O4)C5CC5,TUODSDAIBXYMNE-UHFFFAOYSA-N
+rxn:1:43719:14943,CCOC1=CC2=CCC3C(CCC4(C)C3CCC4(O)c3cn(-c4ccc(Cl)c(I)c4)nn3)C2CC1,RBQIQPWUIAGGQQ-UHFFFAOYSA-N
+rxn:1:43719:14959,CCOC1=CC2=CCC3C(CCC4(CC)C3CCC4(O)c3cn(-c4ccc(Cl)c(I)c4)nn3)C2CC1,GPKMNQLUHZYZGB-UHFFFAOYSA-N
+rxn:1:45000:29569,COc1ccc2c(c1)CCC1C2=CCC2(C)C1CCC2(O)c1cn(CC2Cc3cc(C)cc(C)c3O2)nn1,TWFFUWOAECOIDS-UHFFFAOYSA-N
+rxn:1:61827:14943,CCOC1=CC2=CCC3C(CCC4(C)C3CCC4(O)c3cn(-c4ccc(I)c(Br)c4)nn3)C2CC1,NZGFKOORSVDQTE-UHFFFAOYSA-N
+rxn:2:103675:122411,Cc1cn(CCN(C)C)nc1NC1CCC(CC2CCCN(C)C2)CC1,SQUCWLCGDAFWFJ-UHFFFAOYSA-N
+rxn:2:104771:127518,CC(C)N(C)C1CCN(CCNC2CC3CCCN3C(C)(C)C2)C1,IHCHJPCAQWFZRK-UHFFFAOYSA-N
+rxn:2:108008:114423,CO[C@@H]1CC[C@@H](NC(C)c2cc(C)ccc2OCC2CCOCC2)[C@@H](F)C1,BCIXUFIHEVVULQ-YTXGITBZSA-N
+rxn:2:113899:135534,CCC(Nc1onc(CN(C)C)c1C)C1CCN(C2CCCC2)CC1,QCSBLFNIXSQGMW-UHFFFAOYSA-N
+rxn:2:115103:96294,Cc1oc(CNC2CC[C@H](C)N(C)C2)cc1COC1CCCC(C)C1,MOYBNQMDKKTJPS-YQLFWKPASA-N
+rxn:2:115897:111089,Cc1nc(N(C)C2CCC(C)CC2)c(NC2CCCC(CN(C)C)C2)[nH]1,DVUITUAEHFYHOQ-UHFFFAOYSA-N
+rxn:2:122376:120901,Cc1nc(N(C)C2CCCC2)c(NC2CCCCCC2N(C)Cc2ccccc2C)[nH]1,AHFHVZDWXAAXHY-UHFFFAOYSA-N
+rxn:2:122411:69691,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCC(C)CC2)CC1,ZBJXWAKPNUSVRF-UHFFFAOYSA-N
+rxn:2:122411:96779,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCCCC2C)CC1,AXOICUWAHLRINU-UHFFFAOYSA-N
+rxn:2:127518:104771,CC(C)N(C)C1CCN(CCNC2CC3CCCN3C(C)(C)C2)C1,IHCHJPCAQWFZRK-UHFFFAOYSA-N
+rxn:2:130220:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1CCCCC1OCC1CCCCO1)CO2,VTUKGCNTNVUXRQ-UHFFFAOYSA-N
+rxn:2:69115:116244,Cc1ccc(C(Nc2nc(C)[nH]c2N(C)C2CCCCCC2)C2CCCC(C)C2)cc1,NKUGYSSANYNFTQ-UHFFFAOYSA-N
+rxn:2:69691:122411,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCC(C)CC2)CC1,ZBJXWAKPNUSVRF-UHFFFAOYSA-N
+rxn:2:71073:97918,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
+rxn:2:72997:88818,COCOCC1CCCC1NCCOC(C)c1cc2c(cc1C)OCCO2,DVYFRIHUJLIGRB-UHFFFAOYSA-N
+rxn:2:73165:95484,COCCN1CCC(NCCN2CCC[C@H]2CN(C)C)C(C)C1,GWCGAHYIPNRTBB-ADKAHSJRSA-N
+rxn:2:74555:134018,CC(C)CCN1CCC(N[C@]2(C)C[C@H](N(C)C)C2)CC1,PAZPDWZXAMSVTF-CALCHBBNSA-N
+rxn:2:75272:137019,COC1C(C)C(NCc2cc(COC3CCCCCC3)on2)CC2OC(c3ccccc3)CCC21,HJRBFJQVLVVPPM-UHFFFAOYSA-N
+rxn:2:80427:94193,Cc1nn(CCN(C)C)c(NCC2CCCN2CC2CC2)c1C1CCC1,SQTTULYRVPIZNY-UHFFFAOYSA-N
+rxn:2:89839:128136,COCCOC1CCCCC1NC(CSC)c1cc2c(cc1C)OCO2,IWDKNEAFTMVVKT-UHFFFAOYSA-N
+rxn:2:91227:98438,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N
+rxn:2:93066:123131,CN(C)C1(C)CCC(NCCC#CCN2CCC2)CC1,GDLJSUXMZYWIST-UHFFFAOYSA-N
+rxn:2:94905:143651,COCOc1ccc(C)cc1-c1cccc2c1CCC2NCC1CCC(COC2CCCCC2)O1,YRORPKSRMQLPIQ-UHFFFAOYSA-N
+rxn:2:96294:115103,Cc1oc(CNC2CC[C@H](C)N(C)C2)cc1COC1CCCC(C)C1,MOYBNQMDKKTJPS-YQLFWKPASA-N
+rxn:2:96779:122411,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCCCC2C)CC1,AXOICUWAHLRINU-UHFFFAOYSA-N
+rxn:2:97220:96779,Cc1nn(CCN(C)C)cc1NC1CCN(C2CCCCC2C)CC1,WLPOZEWDYMFUBB-UHFFFAOYSA-N
+rxn:2:97918:71073,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
+rxn:2:98438:91227,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N