diff --git "a/data/sample/candidates_mass.json" "b/data/sample/candidates_mass.json"
new file mode 100644--- /dev/null
+++ "b/data/sample/candidates_mass.json"
@@ -0,0 +1 @@
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"O=C(Nc1cccc(Cl)c1)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1", "N#C/C(=C/Nc1cccc2cccnc12)C(=O)Nc1ccc(Cl)cc1Cl", "CS(=O)(=O)c1ccc(OC(=O)CCC(=O)Nc2ccc(Cl)cn2)cc1", "Cc1nc(-c2ccc(F)cc2)sc1C(=O)ON1C(=O)c2ccccc2C1=O", "O=[N+]([O-])C1([N+](=O)[O-])C=CC(c2ccccc2)=CC1(C(F)(F)F)C(F)(F)F", "COc1ccc(S(=O)(=O)OCC(=O)CCC(Cl)C(C)(C)Cl)cc1", "O=C(O)c1cc2c(-c3c([O-])c(O)cc4cc(C(=O)O)[nH]c34)c([O-])c(O)cc2[nH]1", "CC1(C)c2cc(Br)ccc2-c2c1cc(CCS)c1ccccc21", "COc1ccc(OC)c(C(O)c2ccc(OC)c(OC)c2Br)c1", "O=C(NO)c1ccc(CNC(=O)c2cc3sc4ccccc4c3s2)cc1", "COc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1", "CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1", "[N-]=[N+]=N[C@H]1C=C(c2ccc(Br)cc2)N(C(=O)c2ccccc2)CC1", "O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F", "Cl.FC(F)(F)c1cc([C@@H](N2CCNCC2)C(F)(F)F)ccc1Cl", "Cl.Clc1ccc(COc2ccc(CCn3ccnc3)cc2)c(Cl)c1", "COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1", "Clc1ccc2nc(/N=C3/C[C@@]4(CN5CCC4CC5)ON3)sc2c1Cl", "C=C1CC[C@@](F)(C(=O)NCc2c(F)cc(Cl)cc2Cl)c2cccnc21", 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"COc1ccc(C(CCC(=O)O)C(=O)O)cc1F", "Cn1ncc(NC(=O)NCC2CC2)c(Cl)c1=O", "CC(=O)OC(=O)CF.Cc1ccc(C(=O)O)cc1", "CC(=O)c1ccccc1C(=O)c1ccc(O)cc1O", "CC(=O)c1ccc(Oc2cccc(C(=O)O)c2)cc1", "CN1CCN(Cc2nnsc2NN)C(=O)C1=O", "CCCCCOP(=S)(S)OCC(C)C", "CC(O)CNP1(=O)OCCCN1CCCl", "O=c1cc(O)c2cc3c4c(oc3cc2o1)CCCC4", "COc1cc2c(C)c(C(=O)O)oc2c2ccccc12", "CC(=O)c1ccc(O)cc1OC(=O)c1ccccc1", "O=C(O)/C(=C\\c1cccc(O)c1)c1ccc(O)cc1", "COC(=O)c1cccc(-c2cccc(C(=O)O)c2)c1", "O=C(Nc1nnns1)C(=O)N1CCCNCC1", "NC(=O)CCCCNC(=O)c1cncc(Cl)n1", "On1cnc(-c2cccnc2)c1-c1ccnc(F)c1", "C#CCCCCOC(=O)c1c(F)cc(F)cc1F", "O=COCc1ccc(-c2ccccc2C(=O)O)cc1", "COc1cc(Cl)nc(NC(=O)CNC2CC2)n1"], "CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)CC23[C@]45[C@]1([C@@]6([C@H](C7(CC6([C@@]([C@H]4OC(=O)C)(C7OC(=O)C8(C(O8)C)C)O)O)C)CC(=O)OC)C)OC(O5)(O3)C)C9=COC=C9)C": ["CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)CC23[C@]45[C@]1([C@@]6([C@H](C7(CC6([C@@]([C@H]4OC(=O)C)(C7OC(=O)C8(C(O8)C)C)O)O)C)CC(=O)OC)C)OC(O5)(O3)C)C9=COC=C9)C", "CC1CC=Cc2oc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n8c9ccccc9c6c78)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3c21", "COc1cncc(-c2cnc(C(C)(C)N3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1.Cl", "C1=C=C(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)C=CC=1C1=C=C=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1", "C=C/C(=C\\c1cc2ccccc2n1-c1ccccc1)c1ccc(-c2ccc(-c3cc4c5ccccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c4ccccc34)cc2)cc1", "CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccccc6c5c4)n3)cccc21", "COc1cc(-c2c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc23)c2ccccc2c1", "c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)N(c3ccccc3)c3ccc4c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c4c3N5c3ccccc3)cc2)cc1", "c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc4c(cc2n3-c2cccnc2)-c2cc3c(cc2CC4)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2cccnc2)cc1", "Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)OC(C)(C)C)C5)c3Cl)c2Cl)nc2c1CCN(CCC1CCC(C=O)CC1)C2", "[C-]#[N+]c1c(C=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)ccc2c(C#N)c(C=Cc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc12", "c1ccc(N(c2cccc(-c3ccc(-c4cc5ccccc5o4)cc3)c2)c2ccc3c(c2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2ccc4ccccc4c2-3)cc1", "CC[Si-](CC)(CC)O[C@@H]1[C@@H](COP(=O)(CN[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@@H](n2ccc(=O)n(COC(=O)[C@H](C)NC(=O)OC)c2=O)[C@]1(C)F", "O=C(O)CC[C@H](CP(=O)(O)OCCC[C@H](NC(=O)CC[C@H](CC(=O)CCCCCNC(=O)CCCCCCC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O)C(=O)O", "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCCCC4)CC3)cc2)cc1NO", "c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1", "c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4C64c5ccccc5-c5ccccc54)c3)cc2)cc1", "C1=CC2c3c(ccc4ccccc34)N(c3cc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5c6ccccc6ccc54)c3)C2C=C1", "CC1(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c4ncccc34)c21", "c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c3cccc4ccccc34)cc2)cc1", "[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6C(C)(C)c6ccccc65)c5ccccc45)cc3)n2)cc1", "c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccc4oc5ccccc5c4c3)c2)cc1", "Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)C#Cc2ccc(C3=N[C@@H](C)c4nnc(C)n4-c4sc(C)c(C)c43)cc2)C(C)(C)C)cc1", "c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc43)cc2)cc1", "CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc2-c2ccc(-c3cc4cc5sc(-c6ccc(OC)cc6)cc5cc4s3)cc21", "CCCC[Sn](/C=C/c1ccccc1)(CCCC)CCCC.Cc1cc(/C=C/c2ccccc2)nc2ccccc12.Cc1cc(Cl)nc2ccccc12", "[H]/N=C/c1c(C)n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cc7ccccc7c7ccccc67)n5)c4)c4ccccc34)cc12", "Cc1ccc(Nc2ncc(-c3ccccc3)[nH]2)nc1.c1ccc(-c2ccc(Nc3ncc(-c4cccnc4)s3)cn2)cc1.c1ccc(Nc2ncc(-c3cccnc3)[nH]2)cc1", "CC(C)(c1ncc(-c2cncc(OC(F)F)c2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1", "CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)sc2-c2sc(-c3ccc(C4=C5C(=O)N(CCO)C(c6ccc(C)s6)=C5C(=O)N4CCO)s3)cc21", "Clc1ncnc2nc(C3CCC3)[nH]c12.NCC1=CC=CC1.Nc1ncnc(Cl)c1N.O=C(O)C1CCC1.c1coc(CNc2ncnc3nc(C4CCC4)[nH]c23)c1", "Cc1nc2cccc(C)c2o1.Cc1nc2ccccc2o1.Cc1nc2cccnc2o1.Cc1nc2ccncc2o1.Cc1nc2cnccc2o1.Cc1nc2ncccc2o1", "c1ccc(-c2cccc3c(N(c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c4coc5ccccc45)cccc23)cc1", "C1=CC2c3ccc(C4C=c5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5=CC4)cc3N(c3nc4ccccc4c4nc5ccccc5n34)C2C=C1", "CN(C)c1ccc(-c2cc(C#N)c(C#N)cc2-c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(-c2cc(C#N)c(C#N)cc2-c2ccc(N(C)C)cc2)cc1.ClCCl", "c1ccc(-c2cc3c(c(N(c4ccccc4-c4cccc5c4[nH]c4ccccc45)c4ccccc4-c4cccc5oc6ccccc6c45)c2-c2ccccc2)Cc2ccccc2-3)cc1", "c1ccc(N(c2ccc(-c3cccc(-c4cccc5c6cccc7c6n(c45)-c4ccccc4O7)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1", "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)c4c5ccccc5c5ccccc5c4c3)cc21", "c1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccccc2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc42)c2ccccc2-3)cc1", "C1=CC2c3ccccc3N(c3cccc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc54)c3)C2C=C1", "CC1(C)c2ccccc2-c2cc3c(cc21)c1c(n3-c2cccc(-c3nc4ccccc4c4c5c(ccc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)C2C=CC=CC2O1", "CC(CO)(CO)C(=O)OCC(C)(COC(=O)C(C)(CO)CO)C(=O)OCCOCOCCOC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C1(CO)CO1", "CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C\\[C@@](C)(O)C(=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(=O)c2ccccc2)[C@@H]1OC(=O)C(C)C", "c1ccc(-c2nc3cc(-c4ccc(-c5ccc(N(c6ccc(-c7cc8ccccc8c8ccccc78)cc6)c6ccccc6-c6ccccc6)cc5)cc4)c4ccccc4c3o2)cc1", "Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCOCC4)C5)c3Cl)c2Cl)nc2c1CCN(CCC1CCC(C(=O)O)CC1)C2", "CC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)CS(=O)(=O)O)CC(CC(C)(C)c1nn[nH]n1)S(=O)CCS(=O)CCC(C)(C)c1nn[nH]n1", "C1=CC2=C3N/C(=C(/c4ccccc4)C4=C5C=CC=CC5/C(=C(\\c5ccccc5)C5=N/C(=C(/c6ccccc6)C6=N/C(=C\\3c3ccccc3)c3ccccc36)c3ccccc35)N4)C2C=C1", "CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(C#N)cc7)n6)cc5)c5ccccc45)ccc32)c2ccccc21", "Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O", "c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)ccc32)cc1", "CO[C@](C#N)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@@H](OC(=O)CN1CCOCC1)[C@@H](OC(=O)CN1CCOCC1)c1ccc2c(N)ncnn12", "N#Cc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1N1CC(OC2CCN(CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "C=CC(=O)OCCCCOC(=O)OC(/C=C\\C(=C)C1(c2ccc(OC(=O)OCCCCOC(=O)C=C)cc2)c2cc(OC)c(OC)cc2-c2cc3ccccc3cc21)=C/C", "C1=CC2c3ccccc3N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)cc3)C2c2c1c1ccccc1n2-c1ccccc1", "C=C1/C=C\\C=C/Cc2ccccc2C12c1ccccc1-c1cc3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc5c4n(c3cc12)Cc1ccccc1-5", "C1=Cc2nc1c(-c1cccc3ccccc13)c1ccc([nH]1)c(-c1cccc3ccccc13)c1nc(c(-c3cccc4ccccc34)c3ccc([nH]3)c2-c2cccc3ccccc23)CC1", "CC.CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3OC(=O)N1CCN(c2ccc(-n3c(-c4cc(C(C)C)c(O)cc4O)n[nH]c3=O)cn2)CC1", "C=CC(=O)OCOc1ccc(/C=C/COOc2cc3c(cc2C)OC2C(Oc4cc(C)c(OC(=O)/C=C/c5ccc(OCOC(=O)C=C)cc5)cc4C2(C)C)C3(C)C)cc1", "C1=CC2CC2C(n2c3ccccc3c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)ccc32)=C1", "COc1ncc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ncc(C#N)c(NC5COC5)n4)CC3)nc2)cn1.N#Cc1cnc(Cl)nc1NC1COC1", "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)c2)cc1", "c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc32)cc1", "COC(=O)c1ccc2c(n1)N(C(=O)Nc1nccc(-c3cnc(C)o3)n1)[C@H]1CCN2C1.COC(=O)c1ccc2c(n1)N[C@H]1CCN2C1.Cc1ncc(-c2ccnc(N)n2)o1", "COC(=O)C1CSSCC(C(=O)OC)NC(=O)[C@@H]2CCCN2Cc2cc(C(C)(C)C)cc(c2O)Sc2cc(C(C)(C)C)cc(c2O)CN2CCC[C@@H]2C(=O)N1", "CC1(C)OC(=O)CC(=O)O1.COC(=O)/C=C/c1cc(OC)c(OC)cc1OC.COc1cc(OC)c(OC)cc1/C=C/CO.COc1cc(OC)c(OC)cc1C=O", "c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1", "CC1C2C(c3cc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n(-c7ccc8ccccc8c7)c6cc54)c4ccccc4c3)=NC(c3ccccc3)=NC12c1ccccc1", "O=C1N2Cc3ccccc3CN3C(=O)N4CN5C(=O)N6Cc7ccccc7CN7C(=O)N(CN1C4(c1ccccc1)C23c1ccccc1)C5(c1ccccc1)C76c1ccccc1", "Cc1cncc(-c2ccc3c(c2)C2c4ccccc4C3c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)ccc32)c1", 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"CCOC(=O)CN1CCN(C(=O)NC2(c3ccccc3)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc([C@@H]5C=NN=N5)ccc4OC)C3)CC2)CC1", "C#CCCCCC(=O)NCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.[N-]=[N+]=NCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O", "COc1c2cc(C(C)(C)C)cc1CSCc1ccc3cc(ccc3c1)CSCc1cc(C(C)(C)C)cc(c1OC)CSCc1ccc3cc(ccc3c1)CSC2", "CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc4n(-c4ccccc4)c3cc21", "COC(=O)c1ncc2cc(C)cnc2c1O[Si](C)(C)C(C)(C)C.Cc1cnc2c(O)c(C(=O)NC3(c4ccc(F)cc4)CC3)nc(N3CCCCCS3(=O)=O)c2c1", "C/C=C\\C=C/c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)c4ccccc4n4c(-c6ccccn6)c(-c6ccccn6)nc54)ccc23)c1", "c1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3Oc3cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)ccc32)c2cccc3ccccc23)cc1", "O=C1CCC(N2C(=O)c3ccc(CN4CCN(c5ccc(C(=O)Nc6n[nH]c7ccc(Cc8cc(F)cc(F)c8)cc67)c(NC6CCOCC6)c5)CC4)cc3C2=O)C(=O)N1", "COc1cc(C/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1COC(=O)C(C)NC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O", "c1ccc(-c2nc3c(o2)c(-c2ccc(-c4ccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccccc5-c5ccccc5)cc4)cc2)cc2ccccc23)cc1", "CC1(C)c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1c(-c2nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n2)cccc1-3", "c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1", "C1=Cc2c3ccc4c5ccccc5n(-c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5ccccc5)c4c3cc3c4ccccc4n(c23)-c2ccccc21", "C=C/C=C\\C=C1/N=C(c2ccccc2)C(c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5cccc6ccccc56)ccc43)cc2)=N1", "CC(=O)OCC1OC(OC2CC(O)CC3OC(C4CC(O)C(O)C(O)C4)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)CC23)C(O)C(O)C1O", "c1ccc(-c2nc3c(ccc4cccc(-c5ccc(-c6ccc(N(c7ccc(-c8cc9ccccc9c9ccccc89)cc7)c7ccccc7-c7ccccc7)cc6)cc5)c43)o2)cc1", "c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c23)cc1", "C1=C2c3ccccc3N(c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c3)C2Cc2c1n(-c1ccccc1)c1ccccc21", "C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(=O)C=C)ccc5c4)c(C(=O)OC)c3)ccc2c1", "CCc1c2c(nc3ccc(OCc4cn(CCCC(=O)NOC(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "Cc1[c-]c(-c2nccc3c(C)c(-c4ccc([Si](C)(C)C)cc4)sc23)cc(C)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)c(C([2H])([2H])[2H])n1.[Ir]", "c1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c3)c3ccccc3-4)cc2)cc1", "c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccncc3)-c3cc4c(cc3CC5)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3ccncc3)c2)cc1", "c1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3)c3ccc(-c5ccccc5)cc34)cc2)cc1", "c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1", "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)c5c(n6-c6ccccc6)-c6ccccc6N(c6ccccc6)c6ccccc6-5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@](C)(COCCOCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)CC3", "CCOC(=O)C#CC1CCN(SNC(=O)c2nc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)ccc2-c2cnn(CC3CCCCC3)c2C)CC1", "CC.CC1(C)CNc2cc(Nc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21.O=C1NCc2nc(-c3c(F)cccc3F)nc(Nc3ccc4c(c3)NCC4)c21", "c1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c2)cc1", "c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc42)c2ccccc2-3)c2ccc3oc4ccccc4c3c2)cc1", "c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1", "C=C(/C=C\\C=C/C#N)c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cncc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21", "c1ccc(C2Nc3ccccc3N=C2c2ccc(-n3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1", "Cc1ccc(-c2cc(F)c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cc(F)c(-c7ccc(C)c(C)c7)cc6F)ccc6ccc3c4c65)cc2F)cc1C", "CCCOC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c3cc(OCc4cc(C)cc(C)c4)cc(OCc4cc(C)cc(C)c4)c3)cc2)cc1", "Cc1ccccc1-c1ccccc1CN1CCN(c2ccc3c(NS(=O)(=O)c4ccc(NC(CCN(C)C)CSc5ccccc5)c([N+](=O)[O-])c4)ncnc3c2)CC1", "CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21", "c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C6(c3ccccc3)c3ccccc3)cc2)cc1", "c1ccc(N2c3ccccc3NC2c2cccc(-c3cc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)c4c(c3)oc3ccccc34)c2)cc1", "CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4cc(C6=CC=C7c8ccccc8C8=CC=CC6C87)ccc4n5-c4ccccc4)c3cc21", "COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@]6([C@@H]7/C(=C(/O)C(C)C)C(=O)O[C@@H](c8ccoc8)[C@]7(C)[C@@H](OC(C)=O)[C@@H](O)[C@]6(O5)[C@]13C)[C@H](OC(C)=O)[C@@]4(O)[C@H]2OC(=O)C(C)C", "c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccncc5)cc43)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1", "C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.O=CCCCCCCCCCCCCC=O.O=S(=O)([O-])OCCOc1ccc2ccccc2c1.[Na+]", "COc1ccc(C/N=C(/Nc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1", "C1=Cc2nc1c(-c1cccc3ccccc13)c1[nH]c(c(-c3cccc4ccccc34)c3nc(c(-c4cccc5ccccc45)c4ccc([nH]4)c2-c2cccc4ccccc24)C=C3)CC1", "c1ccc(N(c2ccc(-c3cc4ccc5nc6ccccc6nc5c4cc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1", "Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc31)c1ccccc1-2", "c1ccc(C2=NC(c3ccccc3)NC(c3ccc4c(c3)-c3cc(-c5ccc6c(ccc7ccccc76)c5)ccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)=N2)cc1", "C(=Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1)c1ccccc1", "c1ccc(-c2ccc(C3NC(c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)=Nc4c3ccc3ccccc43)cc2)cc1", "NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCO)c2)C1C(=O)O)c1ccccc1", "c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1", "c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)n2-c2ccccc2)cc1", "c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1", "c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3cccc4c3oc3ccccc34)c2)cc1", "c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc53)c3oc5ccccc5c3-4)cc2)cc1", "c1ccc(-c2nc3ccccc3n2-c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6NC5c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1", "c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc2)cc1", "COc1ccc2c(c1)ncn2Cc1ccc2nc(N[C@@H]3CCCC[C@H]3O)sc2c1.COc1ccc2ncn(Cc3ccc4nc(N[C@@H]5CCCC[C@H]5O)sc4c3)c2c1", "CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc21", "O=C1CCCCC(=O)Oc2ccc3ccccc3c2-c2c(O)c(cc3ccccc23)/C=N/[C@@H]2CCCC[C@H]2/N=C\\c2cc3ccccc3c(c2O)-c2c(ccc3ccccc23)O1", "C1=c2ccccc2=CC(c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)C1", "c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5cccc6c5ccc5oc(-c7ccccc7)nc56)cc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1", "CC(CCN1C(=CC=C2CCCC(C=CC3=[N+](CCC(C)S(=O)(=O)O)c4ccccc4C3(C)C)=C2Sc2ccc(N)cc2)C(C)(C)c2ccccc21)S(=O)(=O)O", "C=C1CC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C4CC(=O)N(Cc5cccs5)C4)cc3)cc2)CN1Cc1cccs1", "c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc4)cccc32)cc1", "c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(C6=NC(c7ccc8ccccc8c7)N=C(c7ccc8ccccc8c7)N6)cc5)cc43)c3ccccc32)cc1", "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1", "c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2-c2ccc(-c3cccc4ccccc34)cc2)cc1", "c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)cc1", "C/C=C(\\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCO)c(=O)oc5cc1O2)[C@H]43", "C[C@H]1CC2(CCN(c3ccc(C(=O)N4CCC(C(=O)CN5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)cn3)CC2)CN1c1ccc(C#N)c(Cl)c1", "C/C=C1\\C[C@H]2CNc3cc(OCCCP(=O)(CCCO)CCCOc4cc5c(cc4OC)C(=O)N4C/C(=C/C)C[C@H]4C(S(=O)(=O)O)N5)c(OC)cc3C(=O)N2C1", "c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4cc(-c5cccc6c5ccc5oc(-c7ccc8ccccc8c7)nc56)ccc4c3)c2)cc1", "c1ccc(C2(c3cccc(C(=C(c4ccncc4)c4ccncc4)c4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)nc1", "C1=CC2=C(CC1)C1(c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc32)c2ccccc2-c2ccccc21", "c1ccc(N(c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1", "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c3)c3ccccc3-4)c2)cc1", "CCC(O)(Cc1c(O)c2c(c(O)c1CO[C@H]1C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)c3ccncc3)[C@H](O)[C@H](C)O1)C(=O)c1c(OC)cccc1C2=O)C(C)=O", "c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5cccc6ccc7nc(-c8ccccc8)oc7c56)cc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1", "CCN1/C(=C/C=C2\\CCC(/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)=C2Oc2ccc([I-]c3ccc(OC)cc3)cc2)C(C)(C)c2cc(C)ccc21", "CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCC(NC(=O)CCCCCNC(=O)CSC(C)=O)CC2)C1", "C1=CC2c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)c5)c4c3N(c3ccccc3)C2C=C1", "C=C/C=C(C(\\C#N)=C/C)/N(c1ccccc1)c1ccc2cc3c(cc2c1)C1(c2ccccc2-c2ccccc21)c1cc2cc(N(c4ccccc4)c4ccccc4C#N)ccc2cc1-3", "C/C=C\\C=C(/C)c1ccc(-c2c3ccc(-c4cccs4)cc3c(-c3ccccc3)c3c(-c4ccc(C5=CC=C[B]5)cc4)c4ccc(C5=CC=C[B]5)cc4c(-c4ccccc4)c23)cc1", "c1ccc(N(c2ccc(-c3nc(-c4ccc(N(c5ccccn5)c5ccccn5)cc4)nc(-c4ccc(N(c5ccccn5)c5ccccn5)cc4)n3)cc2)c2ccccn2)nc1", "[2H]c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc([2H])ccc5n6-c5ccccc5)ccc43)ccc1n2-c1ccccc1", "c1ccc(-c2ccc3c4c2-c2ccc(-c5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1", "O=C(C=Cc1ccc(Cl)cc1)NC1CCCCC1NC(=O)C=Cc1ccc(Cl)cc1.O=C(C=Cc1ccccc1)NC1CCCCC1NC(=O)C=Cc1ccccc1", "c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc4)cc32)cc1", "C1=c2c(n(-c3ccccc3)c3ccccc23)=CC2c3ccccc3N(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)c3)C12", "c1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1", "C1=CC2c3ccccc3N(c3ccc(-n4c5ccccc5c5c(-c6ccccc6)c6c7ccccc7n(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6cc54)cc3)C2C=C1", "CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C\\c1cc(C2=C/C(=C(\\c3ccccc3)c3cccn3B(F)F)N=C2)cs1", "c1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc3c2oc2ccccc23)cc1", "COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(CNS(=O)[O-])c4OC)c4ccccc34)ccn2)cc(OC)c1", "c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc2)cc1", "c1ccc(-c2ccc(N(c3cc4c(c5oc6ccccc6c35)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1", "CN1COC2(C(O)=Nc3ccccc32)C1C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1", "Cc1ccc(-c2ccc3c(c2)C(CCCOCCSC2OC(O)C(O)C(O)C2O)(CCCOCCSC2OC(CO)C(O)C(O)C2O)c2cc(C)ccc2-3)cc1", "c1ccc2cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)cc3)ccc2c1", "C=C(C)C(=O)OCC(COC(=O)C(=C)CC(C)(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1ccccc1-c1ccccc1)OC(=O)c1ccccc1-c1ccccc1", "C=C(Cc1cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2C=N3)cc(OCCCCC(=O)O)c1)c1cc2c(cc1OC)C(=O)N1c3ccccc3C[C@H]1C=N2", "c1ccc(N(c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1", "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c4c5ccccc5c5ccccc5c4c3)cc21", "Cc1nn([C@@H]2CCCCO2)c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(NCCN(C)CCOC(=O)C(NC(=O)OC(C)(C)C)C(C)C)c12", "c1ccc(-c2nc3ccc4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8cc9ccccc9c9ccccc89)cc7)c7ccccc7-c7ccccc7)cc6)cc5)cc4c3o2)cc1", "C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@]2(C)C3=O)O1.C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@]2(C)C3=O)O1", "C1=CC2=C(c3ccccc3)NC(n3c4ccccc4c4c5c6ccccc6c(-c6ccc7c(c6)c6ccc8ccccc8c6n7-c6ccccc6)cc5c5ccccc5c43)NC2C=C1", "CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@@H]1C.C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1N", "c1ccc(-c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cc7c(-n8c9ccccc9c9ccccc98)cccc7cc65)cc4)N3c3cccc(-c4ccccc4)c3)c2)cc1", "C1=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4c4ccccc4c4ccccc34)c2)NC(c2ccccc2)N=C1c1ccc(-c2ccccc2)cc1", "C1=CC(c2cccc(-n3c4ccccc4c4c5c(ccc43)-c3ccc4c(c3C53c5ccccc5Oc5ccccc53)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)=CCC1", "c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccn2)-c2cc3c(cc2CC4)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccccn2)cc1", "CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2sc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3", "C=CCOC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21", "COC(=O)[C@@H]1CCCN1Cc1cc2nc(-c3cccc(-c4cccc(-c5nc6cc(CN(C)[C@@H]7CCC[C@@H]7O)c(OC(F)F)cc6o5)c4C)c3C)oc2cc1OC(F)F", "CN1COC2(C(=O)Nc3ccccc32)C1c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1", "C=C1CC(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)=NC(c2ccccc2)=NC1c1cccc2c1Oc1ccccc1C21c2ccccc2-c2ccccc21", "c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc32)cc1", "c1ccc(-c2cccc(-c3ccccc3N(c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c3cccc4c3oc3ccccc34)c2)cc1", "CCOC(=O)CN1CCN(C(=O)NC2(c3ccccc3)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(-c5cn[nH]n5)ccc4OC)C3)CC2)CC1", "c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1", "c1ccc(-c2ccc(N(c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1", "CCC(CC[NH+](C)CCS(N)=O)C(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ncc(-c4ccc(-c5cnn(CCOC)c5C)c(F)c4F)n3C)cc2Cl)CC1", "Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2c1CC[C@@H]2Oc1cc(OCc2cc(C#N)cc(C#N)c2)c(CN2CCC3(C2)NC(=O)NC3=O)cc1Cl", "CC1(C)c2cccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7oc8ccccc8c67)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)c2-c2c1ccc1ccccc21", "O=C(Cl)CCl.[C-]#[N+]c1c[nH]c(=O)c(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1.[C-]#[N+]c1cnc2c(c1)N(C1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)CO2", "CCCCC1=C(C)c2nc1cc1[n-]c(c(C)c1CCCC)c(-c1cccs1)c1[n-]c(cc3nc(c2-c2cccs2)C(C)=C3CCCC)c(CCCC)c1C.[Zn+2]", "CCc1c2c(nc3ccc(OC(=O)N(C)CCNC(=O)c4nnc(-c5cc(C(C)C)c(O)cc5O)n4-c4cccnc4)cc13)C1CC3=C(COC(=O)C3(O)CC)C(=O)N1C2", "O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCc2ccc(N3c4oc5cc(=O)ccc-5cc4-c4[nH]c5ccccc5[n+]4[B-]3(F)F)cc2)CCN(CC(=O)O)CC1", "c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1", "CC1(C)c2ccccc2-c2cc3c(cc21)C1C=C(c2ccc4sc5c(-c6cc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccccc7)n6)cccc5c4c2)CCC1C3(C)C", "c1ccc(-n2c3ccccc3c3ccc(N4c5cccc(c5)-c5cccc(c5)N(c5cccc6c7ccccc7n(-c7ccccc7)c56)c5cccc(c5)-c5cccc4c5)cc32)cc1", "c1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)cc34)nc3sc4ccccc4c23)cc1", "CN(C)C(=O)c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(N)=O)cc3)c3ccc([nH]3)C(c3ccc(C(N)=O)cc3)=c3ccc([nH]3)=C(c3ccc(C(N)=O)cc3)c3ccc2[nH]3)cc1", "CC1(C)c2ccccc2-c2c(-c3cccc4c5c6ccccc6c6ccccc6c5n(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc7ccccc7c6)n5)c34)cccc21", "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc3)c3ccccc3-4)c2)cc1", "CC1(C)c2cc3c(cc2-c2c1ccc1ccccc21)c1ccccc1n3-c1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "c1ccc(-c2cc(-c3ccccc3)cc(C3NC(c4ccc(-n5c6cc7c(ccn7-c7ccccc7)cc6c6c7ccccc7c7ccccc7c65)cc4)=Nc4ccccc43)c2)cc1", "C=C/C(c1cc(-c2cccc3ccccc23)nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)n1)=c1/ccccc1=C", "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc(N(c8ccccc8)c8cccc9ccccc89)c7)c6c5)c4)nc4ccccc34)cc2)cc1", "C1=CC(c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)CC=C1n1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21", "Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@]3(O)CCN(C)C3=O)cc1-2.Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@]3(O)CCN(C)C3=O)cc1-2", "c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)c(-c4ccccc4)c3)c3ccc4cccc(-c5ccc6ccc7nc(-c8ccccc8)oc7c6c5)c4c3)cc2)cc1", "c1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5cccc6c5oc5ccccc56)cc3)c3ccc(-c5ccccc5)cc34)cc2)cc1", "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O", "c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1", "c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)c2)cc1", "c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4cccc5oc6ccccc6c45)cc32)cc1", 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"CCCOc1ccc(Br)cc1/C=C/c1n[nH]c(=O)c(C#N)c1C", "O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)/N=c1/ccn(O)c(Cl)c1", "O=C(NN=Cc1nnc(Nc2ccc(Cl)cc2)s1)c1ccccc1O", "CCOP(=O)(Oc1ccc(Cl)cc1Cl)N(CC)c1ccccc1", "CCC1(CC)CC(NC(=O)c2cc(Cl)cc(Br)c2)CCO1", "C[C@H](O)[C@H]1N=C(c2ccccn2)c2cc(Br)ccc2N(C)C1=O", "CN(Cc1ccc(Br)cc1Cl)C1CCC2(CC1)OCCO2", "CN(Cc1sc2ccccc2c1Cl)C(=O)c1cnc2nc[nH]n2c1=O", "NC1=Nc2ccc(C(F)(F)F)c(Cl)c2C(c2c(F)cccc2F)=NC1", "CNC(=O)c1cn(C(C)c2ccc(C#N)cc2)c(C)c(Br)c1=O", "CCn1ccc(C(C)NC(=O)c2c(I)cnn2C)n1", "COc1ccc2ccccc2c1/C=C1/SC(=S)N(CCC(=O)O)C1=O", "Cn1ccc(CNC(=O)CCCn2cc(I)cn2)n1", "COCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl", "Cc1nc(C(=O)O)nc(NC(C)C)c1Sc1ccccc1Cl.Cl", "CCN(CCC(=O)c1ccc(Br)cc1Cl)CC1CCCO1", "CCCC1(C(=O)O)CCN(C(C)c2ccc(Br)cc2Cl)C1", "NC(=O)NN=Cc1cc(Br)ccc1OCC=Cc1ccccc1", "Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc([N+](=O)[O-])ccc1Cl", "O=C(COc1ccc(Br)cc1Cl)NC1CCCCCCC1", "O=C(Cc1ccccc1)NCC(=O)N/N=C/c1cccc(Br)c1", "CCc1nc2c(C)cc(Br)cn2c1C(=O)Nc1ccccc1O", "O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cs1", "Cc1c(-c2cccs2)n(S(=O)c2ccc(F)cc2F)c2ccccc12", "O=S(=O)(c1ccccc1C(F)(F)F)N1CC=C(c2cccs2)CC1", "CC1CC(=O)NN=C1c1ccc(NC(=O)SCC(Cl)CCl)cc1", "O=S(=O)(c1ccccc1)N(c1ccccc1)S(=O)(=O)c1ccccc1", "N/C(=N/OC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(Cl)c1", "O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1", "Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCC1", "COCC(=O)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1", "CCN(/C=C/C=C(C#N)C#N)CCOC(=O)c1ccccc1Br", "CCn1ccc(CN(C)C(=O)c2c(I)cnn2C)n1", "Cc1ccc(-c2nc3ccc(Br)cn3c2CC(N)C(=O)O)cc1", "O=[N+]([O-])c1c(NCc2ccc(OCC(F)(F)F)nc2)nc2sccn12", "O=C1CN(c2ccc(NC(=O)c3ccccc3Br)cc2)CCN1", "O=C(Cc1csc(-c2ccc(F)cc2)n1)N/N=C\\c1ccc(Cl)cc1", "CNC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2Br)c1", "Nc1ccc2c(c1)C=NCCN2C(=O)COc1ccc(Br)cc1", "CCOc1cc(Cl)c(CNc2cc(Cl)cc(Cl)c2)cc1OCC", "CC/N=C(\\NCC)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O", "O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(C(F)(F)F)c1", "CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[Cr+2].[c-]1ccc2ccccc2n1", "COc1ccc2cc(CNc3cnn(C)c(=O)c3Br)ccc2c1", "COC(=O)CN1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1", "CC1Cc2cc(C(O)(c3cccs3)C(F)(F)F)ccc2NC(=S)O1", "COCCNCCNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1", "Nc1cc(Br)ccc1S(=O)(=O)N1CCN2CCCCC2C1", "CC1CC(c2cc(Br)cc(C(F)(F)F)c2)(c2nncn2C)C1", "CCOCCOc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1", "Brc1cccc(C2CC2)c1.O=C(O)Nc1nc2ccccc2[nH]1", "Cc1noc2ncc(CN3CC(O)(c4cccc(Br)c4)C3)cc12", "CC(C)C1CCC(Br)C(Cc2cc(Cl)ccc2[N+](=O)[O-])C1", "O=C[O-].O=C[O-].O=C[O-].[Pu]", "COc1cc2ncnc(Nc3ccc(C)cc3Br)c2cc1OC", "O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C\\c1ccccc1", "CCOc1cc(/C=N/Nc2ccccc2)c(Br)cc1OCC#N", "C=C/C=C\\C(CBr)=C(/C)c1cn(-c2ccc(C(=O)O)cc2)nn1", "NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1", "C/N=C(\\N)N(c1cc2ccccc2o1)c1cc(Br)ccc1OC", "COc1ccc(CCC(=O)Nn2cnc3ccccc32)cc1Br", "COP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl", "CN(C)c1ccc(/C=C(\\C#N)C(=O)NCc2ccco2)cc1Br", "COc1ccc(-c2cnsc2-c2cc(OC)c3c(c2)OCO3)cc1S", "COc1ccc(Br)c(C(=O)NCC2(CCl)CCCCC2)c1", "O=C(O)COc1ccccc1C=NNc1ncc(C(F)(F)F)cc1Cl", "NC(=O)Cc1nc2ccccc2n1C[C@H](O)c1cccc(Br)c1", "CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1", "CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(CN)CC1", "Cc1c(CCC(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n12", "[Ir].[c-]1cccc2c1-c1ncccc1CC2", "N#C/C(=C/c1ccc2ncccc2c1)c1nc(-c2ccc(Cl)cc2)cs1", "Fc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1", "O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1cccc(Cl)c1", "Cc1cc(/C=C2\\NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1", "C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1nc2ccccc2[nH]1", "O=C(COc1ccc(Cl)cc1Br)NC1CCCCCCC1", "O=C(Nc1ccc(Cl)cc1F)c1cccnc1SCc1ccncc1", "CCOc1ccccc1NCc1cc(=O)n2cc(Br)ccc2n1", "CS(=O)(=O)OCC[C@@H]1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1", "CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl", "CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc3ccccc3n2)n1", "Cc1nonc1NC(=O)c1ccc(S(C)(=O)=O)c(S(C)(=O)=O)c1C", "Cn1c(=O)n(CC(=O)NCc2cccc(Br)c2)c2ccccc21", "Nc1cc(S(=O)(=O)N2CCC(N3CCCC3)C2)ccc1Br", "OC1CCc2cnn(Cc3coc(-c4ccc(Br)cc4)n3)c2C1", "CCC(C)/N=C1\\NC(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S1", "NCCNc1c(F)cc2c(=O)c(C(=O)O)c(Cl)n(C3CC3)c2c1Cl", "COc1cccc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)c1", "CC1CCCC(NC(=O)COc2ccc(Br)cc2Cl)C1C", "Fc1cc(F)cc(-c2c(CCl)nnn2-c2ccccc2C(F)(F)F)c1", "Nc1ccc(Br)cc1S(=O)(=O)N1CCCN2CCCC2C1", "COc1ccccc1C(=O)NNC(=O)c1ncc(Cl)cc1C(F)(F)F", "CN1OC2(CC(c3ccccc3)Oc3ccc(Br)cc32)N=C1N", "CC(NC(=O)C(=O)N/N=C\\c1cccc(Br)c1)c1ccccc1", "Cl.O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CNCCO1", "CCOC(=O)c1c(NC(=O)CCC(=O)O)[se]c2c1CCCC2", "Cc1nc(-c2ccccn2)nc(SCC(=O)c2ccc(F)cc2)c1Cl", "COC(=O)c1nc(-c2c(F)cc(N)c(F)c2F)cc(NC(C)=O)c1Cl", "Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)O)C3=O)o2)cc1", "C=C(c1ccc(C=O)cc1)c1sc(Nc2ccc(Cl)c(F)c2)nc1N", "Cc1ccccc1S(=O)(=O)Nc1csc(-c2ccc(C(=O)O)cc2)c1", "CCc1nc2ccc(Br)cn2c1C(=O)Nc1cccc(OC)c1", "O=C(CC(=O)N/N=C/c1cccc(Br)c1)NCc1ccccc1", "CNC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1", "COc1ccc(/C=C(/Sc2nc3ccccc3s2)C(=O)O)cc1OC", "N#Cc1cc(S(=O)(=O)Nc2cnn(Cc3cccnc3)c2)ccc1Cl", "C/C(=N/NC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1", "COc1ccc(C(=O)N(CCCl)C2CCCCC2)cc1Br", "CC(=O)N(C(=O)Cc1ccccn1)c1cc(Br)cc2c1NCC2", "COc1cc2c(c([N+](=O)[O-])c1)C=C(C)C1(O2)Sc2ccc(C)cc2S1", "CCc1ccc(S(=O)(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1", "CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(Br)c2)CC1", "CC1(O)CCCC(n2nc(I)c3c(N)ncnc32)C1", "C=CCNC(=O)c1cccc(C(=O)Nc2ccc(Br)c(C)c2)n1", "COC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccccc2)c1", "O=C(CCNS(=O)(=O)c1cccs1)OCCOc1ccccc1F", "COC(=O)C(CC(=O)Oc1ccccc1)Sc1nc2ccccc2s1", "CCOC(=O)C1(Nc2ccc(Cl)c(Br)c2)CCC(C)CC1", "CCC(NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1", "Nc1ncc(Br)cc1S(=O)(=O)N1CCCC1C1CCCC1", "O=C(OCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1", "Cc1nc(Cl)sc1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1", "Cc1cc(NCc2c(Cl)cccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1", "CCCC(C(N)=S)N1CCN(C(=O)c2ccc(Br)o2)CC1", "CCC(N)C(c1ccc(Br)s1)N1CC(=O)NC(=O)C1(C)C", "CON(C(=O)c1c(F)cccc1F)[C@H](C)Cc1ccc(Cl)cc1Cl", "C=C/C=C(\\C=C)OCCNC(=O)/C(C#N)=C/c1cccc(Br)n1", "COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1", "CC(C)(C)N1CC(NC(=O)NCc2ccsc2Br)CC1=O", "O=C(Cn1c(NCCO)nc2ccccc21)c1cccc(Br)c1", 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"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O", "C#C.CC.CC.CNC(=O)c1ccc(O)c(O)c1Cl.COC(=O)C1=C(C[N+]2(C)CC3CCCC3C2)CS[C@@H]2[C@H](NC(=O)/C(=N\\OCC(=O)[O-])c3csc(N)n3)C(=O)N12.[Na+]", "O=C(OC[C@@H]1SC(OC(=O)C2C=CC(c3ccccc3)=CC2)[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1", "Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c2c1O.[Na+].[Na+]", "CC1(C)CCC(CNCCNc2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC#N)CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(c2ccc(Cl)cc2)C1", "CC(C)(C)OC(=O)SCCC(=O)OCC(COC(=O)CCSC(=O)OC(C)(C)C)(COC(=O)CCSC(=O)OC(C)(C)C)COC(=O)CCSC(=O)OC(C)(C)C", "c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7sc8ccc(-c9ccc(-c%10ccc%11ccc%12c(-c%13ccccc%13)ccc%13ccc%10c%11c%13%12)cc9)cc8c7c6)cc5)ccc5ccc2c3c54)cc1", "C=CCOc1ccc2ccc(-c3ccc4c(N5C(=O)c6ccc(C(=O)OCC(O)CC)cc6C5=O)ccc(OCC=C)c4c3)cc2c1N1C(=O)c2ccc(C(=O)OCC(O)CC)cc2C1=O", "O=C(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C2(O)CNCC(C3CC#CCCC4C=CC(=CC3)c3ccccc34)C(c3cc[nH]c3)CSSCOC2C1O", "Cc1cc(-c2cnc3c(NCCO)cc(Br)nn23)ccc1C(=O)CC1CC1.Cc1cc(-c2cnc3c(NCCO)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)CC1CC1", "C=CC(=O)N1CC[C@@H](n2c(F)c(-c3ccc(Cl)cc3)c3c(N)ncnc32)C1.C=CC(=O)O.CC(C)(C)OC(=O)N1CC[C@@H](n2c(F)c(-c3ccc(Cl)cc3)c3c(N)ncnc32)C1", "O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]2SCC(Cc3c(-c4[nH]c5ccccc5c4C[C@@H]4CS[C@@H]5CCC[C@H](N6C(=O)c7ccccc7C6=O)C(=O)N45)[nH]c4ccccc34)N2C1=O", "O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)P(=O)(c4ccccc4)N5c4ccccc4)c4ccccc34)cc2N1c1ccccc1", "CSc1nc(-c2ccc(F)cc2C)c2c(C#N)cn(COCC[Si](C)(C)C)c2n1.Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1c(C#N)cn2COCC[Si](C)(C)C", "CC(=O)OCC1OC(OC2OC=CC3C(OC(C)=O)CC(C)(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", 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"COc1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)c(Cl)c1O", "Cc1csc(C)c1NC(=O)NSN(c1cnn(C)c1)C1CCOCC1", "CCc1ccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)cc1", "Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1-c1cccc2c1CCN2", "COc1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)cn2c1", "O=C(Nc1cccc(Cl)c1)c1ccc(N[C@H](CCO)c2ccccc2)nc1", "Cc1nccn1-c1ccc(CNC(=O)C2CC(=O)N(c3nccs3)C2)cc1", "CN(C)C(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3s2)C1", "CC(=O)N(c1nc(/C=N\\NC(=O)c2ccc[nH]2)cs1)c1cccc(C)c1C", "CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(=O)O)cc1", "CCOC(=O)Cn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C", "Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\\NC(=O)C(N)=O", "COc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C", "O=C1Nc2ccc(-c3cncc(NCCc4ccccc4O)c3)cc2C1(F)F", "N#Cc1cc(NCc2ccc(-c3cccnc3)cc2)nc2ccc([N+](=O)[O-])cc12", "O=C(NC1(C(=O)O)CCOCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1", "COCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3ccnn23)cc1", "N#Cc1ccc(Cn2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)n2)cc1", "N#Cc1ccc(-c2cccc(-c3ccc(C#N)cc3)c2-c2ccc(C#N)cc2)cc1", "NC(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1", "CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2C1c1ccc(C)cc1", "O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)CCN3)cc1", "N#Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)n2C1CCC(O)CC1", "Cl.Cl.Cl.N#Cc1cn(CCN2CCCC2)c(C2CCNCC2)n1", "CC1(C/N=C(\\N)N2CCCCC2)CCCCC1O.I", "O=C(O)C(=O)O.OC1CCN(CCOCCc2ccc3ccsc3c2)C1", "Cc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)c1", "CC(C)Oc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3)cn2)cc1", "Cc1ccc(Nc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1Cl", "Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1", "O=C(Nc1ccc2nc(-c3c4cccccc-4[nH]c3=O)[nH]c2c1)c1ccncc1", "Cc1noc(C)c1CN(C)C(=O)NCCCSCc1ccccc1Cl", "CC(NC(=O)c1ccccc1SCC(N)=O)c1ccc(-n2cncn2)cc1", "CCC1c2[nH]ncc2C(CC)N(S(=O)(=O)c2ccc(Cl)cc2)C1CC", "C=CCN(C(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1", "COc1ccccc1CNc1cncc(C(=O)NCc2ccc(Cl)cc2)c1", "COc1ccc(Nc2cc(-c3c(C(C)C)nc4c(Cl)cccn34)co2)cc1", "CN(C)CCn1ccc2cc(NC(=O)c3cc4cc(Cl)ccc4o3)ccc21", "Cc1ccc(-n2nnnc2SCC(O)COc2ccc(C#N)cc2)c(C)c1", 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\ No newline at end of file