Delete old files on Hugging Face

CHAFF_individual_AIDs/pubchem_aid_1159604_active_curated.csv

@@ -1,50 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,1159604,117079834,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117080611,COc1cc2nc(NC3CCN(Cc4ccccc4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117080767,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
-Absorbance,1159604,117081696,CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
-Absorbance,1159604,117082319,c1ccc(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3ncn4-c3ccsc3)CC2)cc1
-Absorbance,1159604,117083143,COc1cc2nc(Nc3ccc4ncccc4c3)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
-Absorbance,1159604,117083305,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117083581,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(OCCN4CCCCC4)cc3)c2cc1OC
-Absorbance,1159604,117083691,COc1cc(Nc2ccnc(Nc3cccc(N(C)C)c3)n2)cc(OC)c1OC
-Absorbance,1159604,117083739,Cc1cc(Nc2ccc3c(c2)OCO3)nc(Nc2cccc(N(C)C)c2)n1
-Absorbance,1159604,117084072,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3Cc2ccc(C(F)(F)F)cc2)cc1
-Absorbance,1159604,117084342,Cc1cc(NCCOc2ccccc2)nc(Nc2cccc(N(C)C)c2)n1
-Absorbance,1159604,117084481,COc1cc2nc(NCc3ccc4c(c3)OCO4)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117084526,Cc1cc(NCCc2ccc(O)cc2)nc(Nc2cccc(N(C)C)c2)n1
-Absorbance,1159604,117084539,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc4c(c3)OCO4)c2cc1OC
-Absorbance,1159604,117085207,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccccc2)n1
-Absorbance,1159604,117085351,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCc3ccccc3C2)n1
-Absorbance,1159604,117085413,COc1cc2nc(Nc3ccncc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117085431,FC(F)(F)c1cccc(CNc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1
-Absorbance,1159604,117086086,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
-Absorbance,1159604,117086403,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(NCc2ccc3c(c2)OCO3)n1
-Absorbance,1159604,117086520,COc1ccc(CCNc2cc(C)nc(Nc3cccc(N(C)C)c3)n2)cc1
-Absorbance,1159604,117086607,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
-Absorbance,1159604,117086627,Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(Nc2ccc(N3CCOCC3)cc2)n1
-Absorbance,1159604,117086760,Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N2CCN(c3ccccn3)CC2)n1
-Absorbance,1159604,117086891,Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(C(F)(F)F)c1
-Absorbance,1159604,117087000,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc4c(c3)OCO4)c2cc1OC
-Absorbance,1159604,117087145,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3-c2ccsc2)cc1
-Absorbance,1159604,117087253,c1ccc(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3ncn4C3CCCCC3)CC2)cc1
-Absorbance,1159604,117087503,c1ccc(CN2CCC(Nc3nc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4c3ncn4C3CCCCC3)CC2)cc1
-Absorbance,1159604,117087978,c1ccc(OCCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2ncn3C2CCCCC2)cc1
-Absorbance,1159604,117088512,CCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc(-n3ccnc3)cc2)n1
-Absorbance,1159604,117088646,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC
-Absorbance,1159604,117089220,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCCOc3ccccc3)c2cc1OC
-Absorbance,1159604,117089819,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(NCCOc3ccccc3)c2cc1OC
-Absorbance,1159604,117090776,COc1ccc(CCNc2nc(Nc3cccc(N(C)C)c3)nc3cc(OC)c(OC)cc23)cc1
-Absorbance,1159604,117090986,COc1ccc(CCNc2nc(Nc3ccc(N4CCOCC4)cc3)nc3cc(OC)c(OC)cc23)cc1
-Absorbance,1159604,117091095,CC(C)n1cnc2c(Nc3ccc4c(c3)OCO4)nc(NCc3ccc4c(c3)OCO4)nc21
-Absorbance,1159604,117091186,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(NC3CC3)c2cc1OC
-Absorbance,1159604,117091246,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
-Absorbance,1159604,117091326,Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(N(C)C)c2)n1
-Absorbance,1159604,117091355,COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccccc3)c2cc1OC
-Absorbance,1159604,117091404,COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccccc3)c2cc1OC
-Absorbance,1159604,117091434,CC(C)n1cnc2c(NC3CCN(Cc4ccccc4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
-Absorbance,1159604,117091610,CCNc1nc(Nc2ccc(N3CCOCC3)cc2)c2cc(OC)c(OC)cc2n1
-Absorbance,1159604,117091641,CC(C)n1c(Nc2cccc(N(C)C)c2)nc2c(Nc3ccc(N4CCOCC4)cc3)ncnc21
-Absorbance,1159604,117091937,COc1cc2nc(Nc3nc4ccccc4n3C)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
-Absorbance,1159604,117092922,COc1cc2nc(Nc3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
-Absorbance,1159604,117092954,COc1cc2nc(Nc3cc(OC)c(OC)c(OC)c3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC

CHAFF_individual_AIDs/pubchem_aid_1224835_active_curated.csv

@@ -1,536 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,1224835,671,O=C(O)c1cc(O)c2ccccc2c1O
-Luciferase Inhibition,1224835,807,II
-Luciferase Inhibition,1224835,995,c1ccc2c(c1)ccc1ccccc12
-Luciferase Inhibition,1224835,1489,O=C(O)CCCOc1ccc(Cl)cc1Cl
-Luciferase Inhibition,1224835,1539,Nc1ccc2c(c1)Cc1ccccc1-2
-Luciferase Inhibition,1224835,1674,Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3
-Luciferase Inhibition,1224835,1730,O=C(O)c1ccc([Hg]Cl)cc1
-Luciferase Inhibition,1224835,1807,O=[N+]([O-])C1(Br)COCOC1
-Luciferase Inhibition,1224835,2082,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
-Luciferase Inhibition,1224835,2126,CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
-Luciferase Inhibition,1224835,2161,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
-Luciferase Inhibition,1224835,2194,COc1ccc(-c2cc(=S)ss2)cc1
-Luciferase Inhibition,1224835,2197,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1
-Luciferase Inhibition,1224835,2268,COP(=S)(OC)SCn1nnc2ccccc2c1=O
-Luciferase Inhibition,1224835,2272,c1ccc(N=Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,2336,c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
-Luciferase Inhibition,1224835,2345,O=C(OCc1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,2361,O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12
-Luciferase Inhibition,1224835,2482,CCCCOC(=O)c1ccc(N)cc1
-Luciferase Inhibition,1224835,2540,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
-Luciferase Inhibition,1224835,2581,CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
-Luciferase Inhibition,1224835,2603,N#CC(C#N)=NNc1cccc(Cl)c1
-Luciferase Inhibition,1224835,2728,CC(C)OC(=O)Nc1cccc(Cl)c1
-Luciferase Inhibition,1224835,2750,CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
-Luciferase Inhibition,1224835,2871,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
-Luciferase Inhibition,1224835,3059,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
-Luciferase Inhibition,1224835,3109,[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
-Luciferase Inhibition,1224835,3117,CCN(CC)C(=S)SSC(=S)N(CC)CC
-Luciferase Inhibition,1224835,3220,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
-Luciferase Inhibition,1224835,3259,O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I
-Luciferase Inhibition,1224835,3293,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
-Luciferase Inhibition,1224835,3295,CCOc1ccc2nc(S(N)(=O)=O)sc2c1
-Luciferase Inhibition,1224835,3335,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1224835,3339,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
-Luciferase Inhibition,1224835,3658,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
-Luciferase Inhibition,1224835,3727,NC(=O)CI
-Luciferase Inhibition,1224835,3747,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
-Luciferase Inhibition,1224835,3893,CCCCCCCCCCCC(=O)O
-Luciferase Inhibition,1224835,4004,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
-Luciferase Inhibition,1224835,4122,COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1
-Luciferase Inhibition,1224835,4409,COc1ccc2cc(CCC(C)=O)ccc2c1
-Luciferase Inhibition,1224835,4477,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
-Luciferase Inhibition,1224835,4488,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
-Luciferase Inhibition,1224835,4534,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
-Luciferase Inhibition,1224835,4632,COc1ccc(C(=O)c2ccccc2)c(O)c1
-Luciferase Inhibition,1224835,4650,O=C1C=CC(=O)C=C1
-Luciferase Inhibition,1224835,4766,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
-Luciferase Inhibition,1224835,4778,O=[As]c1ccccc1
-Luciferase Inhibition,1224835,4788,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O
-Luciferase Inhibition,1224835,4887,O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1
-Luciferase Inhibition,1224835,5070,Nc1nc2ccc(OC(F)(F)F)cc2s1
-Luciferase Inhibition,1224835,5430,c1ccc2[nH]c(-c3cscn3)nc2c1
-Luciferase Inhibition,1224835,5455,CN(C)C(=S)SSC(=S)N(C)C
-Luciferase Inhibition,1224835,5468,CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
-Luciferase Inhibition,1224835,5717,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
-Luciferase Inhibition,1224835,5757,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
-Luciferase Inhibition,1224835,5889,c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
-Luciferase Inhibition,1224835,5897,CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2
-Luciferase Inhibition,1224835,5922,O=C(O)c1ccncc1
-Luciferase Inhibition,1224835,5934,Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1
-Luciferase Inhibition,1224835,5954,c1ccc2cc3c(ccc4ccccc43)cc2c1
-Luciferase Inhibition,1224835,6001,Cc1c2ccccc2c(C)c2c1ccc1ccccc12
-Luciferase Inhibition,1224835,6051,Nc1ccc(N=Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,6053,CN(C)c1ccc(N=Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,6258,O=c1[nH]sc2cc(Cl)ccc12
-Luciferase Inhibition,1224835,6293,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
-Luciferase Inhibition,1224835,6319,c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
-Luciferase Inhibition,1224835,6374,IC(I)I
-Luciferase Inhibition,1224835,6451,Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br
-Luciferase Inhibition,1224835,6623,CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
-Luciferase Inhibition,1224835,6670,Nc1ccc2ccccc2c1S(=O)(=O)O
-Luciferase Inhibition,1224835,6683,O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21
-Luciferase Inhibition,1224835,6702,Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,6731,O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1
-Luciferase Inhibition,1224835,6772,CCc1ccc2c(c1)C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,6773,Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,6796,c1ccc2c(c1)ccc1ncccc12
-Luciferase Inhibition,1224835,6819,CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC
-Luciferase Inhibition,1224835,6868,Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
-Luciferase Inhibition,1224835,6872,O=C(Nc1ccccc1)c1ccccc1O
-Luciferase Inhibition,1224835,7013,c1ccc(Nc2cccc3ccccc23)cc1
-Luciferase Inhibition,1224835,7020,O=c1c2ccccc2oc2ccccc12
-Luciferase Inhibition,1224835,7031,CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
-Luciferase Inhibition,1224835,7050,CCN(CC)c1ccc2c(C)cc(=O)oc2c1
-Luciferase Inhibition,1224835,7070,Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
-Luciferase Inhibition,1224835,7076,c1ccc(-c2cccc(-c3ccccc3)c2)cc1
-Luciferase Inhibition,1224835,7101,Brc1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1224835,7102,Nc1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1224835,7103,Oc1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1224835,7104,O=C(O)c1cc2ccccc2cc1O
-Luciferase Inhibition,1224835,7112,Oc1ccc(-c2ccc(O)cc2)cc1
-Luciferase Inhibition,1224835,7113,CC(=O)c1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1224835,7115,c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
-Luciferase Inhibition,1224835,7120,CCN(CC)c1ccc(N)cc1
-Luciferase Inhibition,1224835,7169,O=C(Oc1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,7175,CCCOC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,7180,O=C(OCc1ccccc1)c1ccc(O)cc1
-Luciferase Inhibition,1224835,7188,S=C(SSC(=S)N1CCCCC1)N1CCCCC1
-Luciferase Inhibition,1224835,7192,CCOc1ccc2nc(N)sc2c1
-Luciferase Inhibition,1224835,7193,CC(C)CCOC(=O)c1ccccc1
-Luciferase Inhibition,1224835,7194,O=C(OCCc1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,7206,CCCCOC(=O)COc1ccc(Cl)cc1Cl
-Luciferase Inhibition,1224835,7230,CC(C)(C)NSc1nc2ccccc2s1
-Luciferase Inhibition,1224835,7231,c1ccc2sc(SSN3CCOCC3)nc2c1
-Luciferase Inhibition,1224835,7232,c1ccc2sc(SNC3CCCCC3)nc2c1
-Luciferase Inhibition,1224835,7243,Nc1ccccc1N
-Luciferase Inhibition,1224835,7255,Cc1ccc(N)cc1Cl
-Luciferase Inhibition,1224835,7263,Nc1ccc(Cl)cc1N
-Luciferase Inhibition,1224835,7264,Cc1ccc(O)c(N)c1
-Luciferase Inhibition,1224835,7327,O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1
-Luciferase Inhibition,1224835,7340,Cc1cc(N=Nc2ccccc2C)ccc1N
-Luciferase Inhibition,1224835,7347,CN(C)C(=S)SC(=S)N(C)C
-Luciferase Inhibition,1224835,7348,CCCCCCCCCCCC(=O)N(C)CC(=O)O
-Luciferase Inhibition,1224835,7381,CC(C)(C)c1ccc(O)c(O)c1
-Luciferase Inhibition,1224835,7403,CC(C)(C)c1ccc(C(=O)O)cc1
-Luciferase Inhibition,1224835,7421,CN(C)c1cccc(O)c1
-Luciferase Inhibition,1224835,7472,CN(C)c1ccc(N)cc1
-Luciferase Inhibition,1224835,7483,CNc1ccc([N+](=O)[O-])cc1
-Luciferase Inhibition,1224835,7490,CN(C)c1ccc(N(C)C)cc1
-Luciferase Inhibition,1224835,7511,Cl[Hg]c1ccccc1
-Luciferase Inhibition,1224835,7518,ONc1ccccc1
-Luciferase Inhibition,1224835,7546,Oc1cccc(Nc2ccccc2)c1
-Luciferase Inhibition,1224835,7547,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
-Luciferase Inhibition,1224835,7551,O=C(Nc1cccc(Cl)c1)OCC#CCCl
-Luciferase Inhibition,1224835,7563,Oc1ccc(Cc2ccccc2)cc1
-Luciferase Inhibition,1224835,7571,COc1ccc(Nc2ccc(OC)cc2)cc1
-Luciferase Inhibition,1224835,7573,CC(C)Nc1ccc(Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,7579,Nc1ccc(Oc2ccc(N)cc2)cc1
-Luciferase Inhibition,1224835,7589,CCC(C)Nc1ccc(NC(C)CC)cc1
-Luciferase Inhibition,1224835,7595,O=C(Nc1ccccc1)Nc1ccccc1
-Luciferase Inhibition,1224835,7597,O=C(Oc1ccccc1)Oc1ccccc1
-Luciferase Inhibition,1224835,7601,O=C(Cc1ccccc1)OCCc1ccccc1
-Luciferase Inhibition,1224835,7638,Oc1ccc(OCc2ccccc2)cc1
-Luciferase Inhibition,1224835,7658,CCCC(=O)OCCc1ccccc1
-Luciferase Inhibition,1224835,7693,O=C=Nc1ccc(Cl)cc1
-Luciferase Inhibition,1224835,7713,c1ccc(OCCOc2ccccc2)cc1
-Luciferase Inhibition,1224835,8166,CCCCCCCCCCCC(=O)Cl
-Luciferase Inhibition,1224835,8180,CCCCCCCCCCC(=O)O
-Luciferase Inhibition,1224835,8193,CCCCCCCCCCCCO
-Luciferase Inhibition,1224835,8207,CCCCCCCCCCCCCO
-Luciferase Inhibition,1224835,8256,O=CC(Br)(Br)Br
-Luciferase Inhibition,1224835,8272,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
-Luciferase Inhibition,1224835,8341,Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,8342,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
-Luciferase Inhibition,1224835,8363,O=C(OCc1ccccc1)c1ccccc1O
-Luciferase Inhibition,1224835,8371,O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
-Luciferase Inhibition,1224835,8413,Cc1cc(-c2ccc(N)c(C)c2)ccc1N
-Luciferase Inhibition,1224835,8422,O=C(O)COc1ccc2ccccc2c1
-Luciferase Inhibition,1224835,8433,O=C(CC(=O)c1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,8447,c1ccc2sc(SSc3nc4ccccc4s3)nc2c1
-Luciferase Inhibition,1224835,8530,O=C1C=CC(=O)c2ccccc21
-Luciferase Inhibition,1224835,8532,O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
-Luciferase Inhibition,1224835,8540,O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1
-Luciferase Inhibition,1224835,8570,COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1
-Luciferase Inhibition,1224835,8571,O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
-Luciferase Inhibition,1224835,8572,O=C(c1ccccc1)c1ccc(O)cc1O
-Luciferase Inhibition,1224835,8593,O=C(O)c1cc(-c2ccccc2)nc2ccccc12
-Luciferase Inhibition,1224835,8606,O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl
-Luciferase Inhibition,1224835,8607,O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl
-Luciferase Inhibition,1224835,8609,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
-Luciferase Inhibition,1224835,8615,Nc1ccccc1C(=O)OCCc1ccccc1
-Luciferase Inhibition,1224835,8652,Cc1ccc(C(=O)c2ccccc2)cc1
-Luciferase Inhibition,1224835,8679,c1ccc(Nc2ccc3ccccc3c2)cc1
-Luciferase Inhibition,1224835,8689,c1ccc(N=NNc2ccccc2)cc1
-Luciferase Inhibition,1224835,8693,CCCOC(=O)c1ccc(C(=O)OCCC)nc1
-Luciferase Inhibition,1224835,8749,CN(C)c1ccc(N=O)cc1
-Luciferase Inhibition,1224835,9074,O=Nc1ccc(Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,9076,CCOc1ccc(N)cc1
-Luciferase Inhibition,1224835,9131,c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45
-Luciferase Inhibition,1224835,9153,c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13
-Luciferase Inhibition,1224835,9154,c1ccc2c(c1)-c1cccc3cccc-2c13
-Luciferase Inhibition,1224835,9274,CCOP(=S)(S)OCC
-Luciferase Inhibition,1224835,9462,Nc1ccc(-c2ccc(F)cc2)cc1
-Luciferase Inhibition,1224835,9690,O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)F
-Luciferase Inhibition,1224835,9719,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
-Luciferase Inhibition,1224835,9786,c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
-Luciferase Inhibition,1224835,9948,O=C(Cc1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,10133,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
-Luciferase Inhibition,1224835,10187,Oc1cccc2cc3cccc(O)c3c(O)c12
-Luciferase Inhibition,1224835,10226,O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O
-Luciferase Inhibition,1224835,10229,Oc1cc2ccccc2c2ccccc12
-Luciferase Inhibition,1224835,10230,NNc1nnc(NN)c2ccccc12
-Luciferase Inhibition,1224835,10239,O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12
-Luciferase Inhibition,1224835,10303,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,1224835,10316,[O-][N+](=Nc1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,10332,Cc1ccc(N)c(N)c1
-Luciferase Inhibition,1224835,10377,CCCCCc1cc(O)cc(O)c1
-Luciferase Inhibition,1224835,10680,O=c1cc(-c2ccccc2)oc2ccccc12
-Luciferase Inhibition,1224835,10718,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1
-Luciferase Inhibition,1224835,10780,CCOC(=O)COc1ccc(Cl)cc1Cl
-Luciferase Inhibition,1224835,10855,Nc1ccc(N=Nc2ccc(N)cc2)cc1
-Luciferase Inhibition,1224835,10935,O=C1C=CC(=O)N1
-Luciferase Inhibition,1224835,11381,Oc1cccc(-c2ccccc2)c1
-Luciferase Inhibition,1224835,11488,c1ccc([Hg]c2ccccc2)cc1
-Luciferase Inhibition,1224835,11689,O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br
-Luciferase Inhibition,1224835,11728,CN(C)C(=S)[S-].C[NH2+]C
-Luciferase Inhibition,1224835,11767,O=[N+]([O-])c1c2ccccc2cc2ccccc12
-Luciferase Inhibition,1224835,11796,O=C1c2ccccc2C(=O)c2cc(O)ccc21
-Luciferase Inhibition,1224835,11937,Nc1ccc2cc3ccccc3cc2c1
-Luciferase Inhibition,1224835,12076,Nc1cc([N+](=O)[O-])ccc1C(=O)O
-Luciferase Inhibition,1224835,12089,NNc1ccc(C(=O)O)cc1
-Luciferase Inhibition,1224835,12111,Oc1ccc(Cc2ccc(O)cc2)cc1
-Luciferase Inhibition,1224835,12530,CCCCCCCCCCCCC(=O)O
-Luciferase Inhibition,1224835,12540,Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,12855,c1ccc(-c2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1224835,12898,Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1
-Luciferase Inhibition,1224835,13101,CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,13297,Oc1ccc2ccccc2c1N=Nc1ccccc1
-Luciferase Inhibition,1224835,13636,Oc1c(Cl)c(Cl)cc(Cl)c1Cl
-Luciferase Inhibition,1224835,13662,O=C1C=CC(=O)N1c1ccccc1
-Luciferase Inhibition,1224835,13709,COc1nn(CSP(=S)(OC)OC)c(=O)s1
-Luciferase Inhibition,1224835,13940,O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
-Luciferase Inhibition,1224835,14127,CCCCCCOC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,14138,CCCCCCCOC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,14145,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1
-Luciferase Inhibition,1224835,14369,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1
-Luciferase Inhibition,1224835,14385,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
-Luciferase Inhibition,1224835,14503,O=c1ssc(Cl)c1Cl
-Luciferase Inhibition,1224835,14569,Cc1cccc(Nc2ccccc2)c1
-Luciferase Inhibition,1224835,14868,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
-Luciferase Inhibition,1224835,14869,O=C(Nc1ccccc1)c1cc(Cl)ccc1O
-Luciferase Inhibition,1224835,14994,CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
-Luciferase Inhibition,1224835,15008,CCCC(=O)c1cc(O)c(O)cc1O
-Luciferase Inhibition,1224835,15096,CCCC[Sn](Cl)(CCCC)CCCC
-Luciferase Inhibition,1224835,15206,OCC(CBr)(CBr)CBr
-Luciferase Inhibition,1224835,15277,COc1ccc(N=[N+]([O-])c2ccc(OC)cc2)cc1
-Luciferase Inhibition,1224835,15427,CC1=Nc2ccccc2C1(C)C
-Luciferase Inhibition,1224835,15529,Oc1ccc(N=Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,15580,CC(C)COC(=O)COc1ccc(Cl)cc1Cl
-Luciferase Inhibition,1224835,15588,O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O
-Luciferase Inhibition,1224835,15630,COc1ccc2nc(N)sc2c1
-Luciferase Inhibition,1224835,16033,CC(C)(C)c1ccc(OC2CCCCC2O)cc1
-Luciferase Inhibition,1224835,16115,CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
-Luciferase Inhibition,1224835,16116,CC1CCCCC1NC(=O)Nc1ccccc1
-Luciferase Inhibition,1224835,16720,Nc1cccc2c(N)cccc12
-Luciferase Inhibition,1224835,16741,S=C=NCCc1ccccc1
-Luciferase Inhibition,1224835,16834,c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
-Luciferase Inhibition,1224835,16932,Cc1ccc2ccc3cccc4ccc1c2c34
-Luciferase Inhibition,1224835,17113,Cc1ccc(O)c(-n2nc3ccccc3n2)c1
-Luciferase Inhibition,1224835,17168,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl
-Luciferase Inhibition,1224835,17201,Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
-Luciferase Inhibition,1224835,17204,CCN(CC)c1ccc(N=Nc2ccccc2)cc1
-Luciferase Inhibition,1224835,17231,CCCCCCCCOc1ccc(C(=O)O)cc1
-Luciferase Inhibition,1224835,17305,CCOP(=S)(Cl)OCC
-Luciferase Inhibition,1224835,17321,Cc1ccc2c(ccc3ccccc32)c1
-Luciferase Inhibition,1224835,17437,CC[Hg+].O=C1[N-]C(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
-Luciferase Inhibition,1224835,17520,O=c1[nH]sc2ccccc12
-Luciferase Inhibition,1224835,17599,Nc1ccc2c3c(cccc13)-c1ccccc1-2
-Luciferase Inhibition,1224835,17811,CC(=O)Nc1ccc(N=Nc2cc(C)ccc2O)cc1
-Luciferase Inhibition,1224835,18360,CC(C)(C)c1ccc(OCC2CO2)cc1
-Luciferase Inhibition,1224835,18386,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1
-Luciferase Inhibition,1224835,18771,N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N
-Luciferase Inhibition,1224835,19079,CCCCCCCCSCCO
-Luciferase Inhibition,1224835,19113,CNC(=O)Nc1ccc(Cl)c(Cl)c1
-Luciferase Inhibition,1224835,19587,C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1
-Luciferase Inhibition,1224835,19646,O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
-Luciferase Inhibition,1224835,19750,O=C(CCCCl)c1ccc(F)cc1
-Luciferase Inhibition,1224835,19756,c1coc(-c2nc3ccccc3[nH]2)c1
-Luciferase Inhibition,1224835,20240,CC(C)COC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,20282,CCCCCCCCCCCCI
-Luciferase Inhibition,1224835,20701,CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO
-Luciferase Inhibition,1224835,20906,O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
-Luciferase Inhibition,1224835,21307,CC1=C(C(=O)Nc2ccccc2)SCCO1
-Luciferase Inhibition,1224835,21387,Oc1ccc2ccc3cccc4ccc1c2c34
-Luciferase Inhibition,1224835,21859,CC(C)CCCCCCCCCCCCCCC(=O)O
-Luciferase Inhibition,1224835,22086,COc1cc2c(cc1N)oc1ccccc12
-Luciferase Inhibition,1224835,22586,Cc1cc(Nc2ccc(O)cc2)ccc1N
-Luciferase Inhibition,1224835,22628,Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,22629,CCCCCCOC(=O)c1ccccc1O
-Luciferase Inhibition,1224835,22830,COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1
-Luciferase Inhibition,1224835,23019,CCCCCOC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,23235,CCCCCCOC(=O)c1ccccc1
-Luciferase Inhibition,1224835,23347,c1csc(SSc2cccs2)c1
-Luciferase Inhibition,1224835,24433,CCCCOC(=O)c1ccccc1N
-Luciferase Inhibition,1224835,24685,CC(C)OC(=O)Nc1ccccc1
-Luciferase Inhibition,1224835,24743,CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
-Luciferase Inhibition,1224835,24744,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
-Luciferase Inhibition,1224835,24750,CCCCCCCCCCCCOCCO
-Luciferase Inhibition,1224835,24812,Cl[In](Cl)Cl
-Luciferase Inhibition,1224835,24819,ClP(Cl)(Cl)(Cl)Cl
-Luciferase Inhibition,1224835,25127,CCOC(=O)c1ccc(N(C)C)cc1
-Luciferase Inhibition,1224835,25152,O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
-Luciferase Inhibition,1224835,25238,C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1
-Luciferase Inhibition,1224835,25912,CON(C)C(=O)Nc1ccc(Br)c(Cl)c1
-Luciferase Inhibition,1224835,26030,[Au+3]
-Luciferase Inhibition,1224835,26596,CCCCc1ccc2nc(NC(=O)OC)[nH]c2c1
-Luciferase Inhibition,1224835,26710,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
-Luciferase Inhibition,1224835,26975,CCCCCc1ccc(O)cc1
-Luciferase Inhibition,1224835,27020,O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br
-Luciferase Inhibition,1224835,28531,Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,28777,O=C1c2ccccc2C(=O)N1SC1CCCCC1
-Luciferase Inhibition,1224835,28935,COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl
-Luciferase Inhibition,1224835,29216,CNC(=O)N(C)c1nc2ccccc2s1
-Luciferase Inhibition,1224835,29307,CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1
-Luciferase Inhibition,1224835,29354,CCCCCCOc1ccc(O)cc1
-Luciferase Inhibition,1224835,30692,N#CSCSc1nc2ccccc2s1
-Luciferase Inhibition,1224835,31222,c1ccc(NNc2ccccc2)cc1
-Luciferase Inhibition,1224835,31420,Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,31635,O=C(O)c1ccccc1NCCc1ccccc1
-Luciferase Inhibition,1224835,31736,O=C(O)c1ccccc1C(=O)OCc1ccccc1
-Luciferase Inhibition,1224835,32241,CC(C)c1ccc2cc(C(C)C)ccc2c1
-Luciferase Inhibition,1224835,32933,CCCCCCCCCCC=CC1CC(=O)OC1=O
-Luciferase Inhibition,1224835,33334,COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1
-Luciferase Inhibition,1224835,33528,CCCCCCCCn1sccc1=O
-Luciferase Inhibition,1224835,33775,CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl
-Luciferase Inhibition,1224835,33919,O=S(=O)(O)c1ccc2nc(-c3ccccc3)[nH]c2c1
-Luciferase Inhibition,1224835,34192,CCN(CC)C(=O)SCc1ccc(Cl)cc1
-Luciferase Inhibition,1224835,34757,Cc1cc2nc(N)sc2cc1C
-Luciferase Inhibition,1224835,35803,COC(=O)Nc1nc2ccc(C(=O)C3CC3)cc2[nH]1
-Luciferase Inhibition,1224835,36383,O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
-Luciferase Inhibition,1224835,36565,CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]
-Luciferase Inhibition,1224835,36679,CC(C)c1ccc(NC(=O)N(C)C)cc1
-Luciferase Inhibition,1224835,38360,CCCCCCOc1ccc(N)cc1
-Luciferase Inhibition,1224835,41448,O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
-Luciferase Inhibition,1224835,41684,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
-Luciferase Inhibition,1224835,42040,C#Cc1ccc(-c2ccccc2F)cc1
-Luciferase Inhibition,1224835,47938,CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
-Luciferase Inhibition,1224835,51605,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
-Luciferase Inhibition,1224835,54339,c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1
-Luciferase Inhibition,1224835,54585,O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1
-Luciferase Inhibition,1224835,60712,NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21
-Luciferase Inhibition,1224835,60967,BrC(Br)C(Br)(Br)Br
-Luciferase Inhibition,1224835,60999,O=C(Cc1ccccc1)OCc1ccccc1
-Luciferase Inhibition,1224835,61031,CCCCCCCCCC(C)C=O
-Luciferase Inhibition,1224835,61384,CCCCCC(=O)OCCc1ccccc1
-Luciferase Inhibition,1224835,61719,CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1224835,61948,N#CCCC(Br)(C#N)CBr
-Luciferase Inhibition,1224835,62092,Cc1ccc(OC(=O)CC(C)C)cc1
-Luciferase Inhibition,1224835,62217,Nc1ccccc1C(=O)Oc1ccc2ccccc2c1
-Luciferase Inhibition,1224835,62357,CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21
-Luciferase Inhibition,1224835,62441,CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
-Luciferase Inhibition,1224835,62459,CCCCCCCCCCCCN1CCCC1=O
-Luciferase Inhibition,1224835,62478,O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
-Luciferase Inhibition,1224835,62738,Cc1ccc(S(=O)(=O)C(I)I)cc1
-Luciferase Inhibition,1224835,65064,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
-Luciferase Inhibition,1224835,65067,c1csc(-c2ccc(-c3cccs3)s2)c1
-Luciferase Inhibition,1224835,65758,Clc1ccccc1-c1nc(-c2ccncc2)no1
-Luciferase Inhibition,1224835,65776,Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN(C)C)cc12
-Luciferase Inhibition,1224835,65999,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
-Luciferase Inhibition,1224835,66204,Cl[Nd](Cl)Cl
-Luciferase Inhibition,1224835,66357,C=C(C)C(=O)OCCOc1ccccc1
-Luciferase Inhibition,1224835,66597,CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1
-Luciferase Inhibition,1224835,66645,O=C(Cl)c1ccc(Cl)cc1Cl
-Luciferase Inhibition,1224835,67065,O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1
-Luciferase Inhibition,1224835,67172,Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O
-Luciferase Inhibition,1224835,67236,O=C(Oc1ccccc1)c1ccc2ccccc2c1O
-Luciferase Inhibition,1224835,67271,O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,67274,COc1ccccc1NC(=O)c1cc2ccccc2cc1O
-Luciferase Inhibition,1224835,67277,O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O
-Luciferase Inhibition,1224835,67285,CC(C)c1ccc2ncccc2c1
-Luciferase Inhibition,1224835,68570,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O
-Luciferase Inhibition,1224835,69026,O=[N+]([O-])C(Br)Br
-Luciferase Inhibition,1224835,69091,Cc1ccc(OC(=O)c2ccccc2O)cc1
-Luciferase Inhibition,1224835,69317,c1ccc(SCCSc2ccccc2)cc1
-Luciferase Inhibition,1224835,69908,CC(=O)c1ccc2c(c1)Cc1ccccc1-2
-Luciferase Inhibition,1224835,69917,Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
-Luciferase Inhibition,1224835,70400,c1ccc(B(c2ccccc2)c2ccccc2)cc1
-Luciferase Inhibition,1224835,70414,S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1
-Luciferase Inhibition,1224835,71643,Oc1ccccc1C=NCc1ccccc1
-Luciferase Inhibition,1224835,71645,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1
-Luciferase Inhibition,1224835,71750,Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2
-Luciferase Inhibition,1224835,73670,Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1
-Luciferase Inhibition,1224835,73852,O=C(c1ccc(O)cc1)c1ccc(O)cc1O
-Luciferase Inhibition,1224835,74282,CCCCCCC(=O)c1ccccc1
-Luciferase Inhibition,1224835,74483,O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
-Luciferase Inhibition,1224835,74867,CC(=O)c1ccc2ccc3ccccc3c2c1
-Luciferase Inhibition,1224835,75547,Oc1ccc2c(c1)Cc1ccccc1-2
-Luciferase Inhibition,1224835,76991,COc1ccc2cc(C=O)ccc2c1
-Luciferase Inhibition,1224835,79302,CCC(C)(C)C1CCC(O)CC1
-Luciferase Inhibition,1224835,79633,CC(C)c1ccc2sc3ccccc3c(=O)c2c1
-Luciferase Inhibition,1224835,79688,Oc1ccc(-c2ccccc2)c(Cl)c1
-Luciferase Inhibition,1224835,79878,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
-Luciferase Inhibition,1224835,80434,Nc1ccc(Oc2ccc(N)c(N)c2)cc1
-Luciferase Inhibition,1224835,83119,CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
-Luciferase Inhibition,1224835,83270,CC(C)NC(=O)c1ccc(C=O)cc1
-Luciferase Inhibition,1224835,83322,CCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
-Luciferase Inhibition,1224835,83511,O=C1OC2(c3cc(Br)c(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
-Luciferase Inhibition,1224835,83648,O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1
-Luciferase Inhibition,1224835,85557,O=C(O)c1ccc2cc(O)ccc2c1
-Luciferase Inhibition,1224835,86013,CCOc1ccc2c(c1)C(C)CC(C)(C)N2
-Luciferase Inhibition,1224835,86296,CC#Cc1cc(C)nc(Nc2ccccc2)n1
-Luciferase Inhibition,1224835,86367,Cc1cc(C2CC2)nc(Nc2ccccc2)n1
-Luciferase Inhibition,1224835,87250,O=C(Oc1ccccc1)c1ccc(O)cc1
-Luciferase Inhibition,1224835,88836,CC(C)CCOC(=O)c1ccc(N(C)C)cc1
-Luciferase Inhibition,1224835,91688,CCCCCCCCn1sc(Cl)c(Cl)c1=O
-Luciferase Inhibition,1224835,92873,CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1
-Luciferase Inhibition,1224835,93098,NNc1nc(-c2ccc(N)cc2)cs1
-Luciferase Inhibition,1224835,93379,O=C(Nc1ccccc1)Nc1ccnc(Cl)c1
-Luciferase Inhibition,1224835,94398,O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl
-Luciferase Inhibition,1224835,95170,Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
-Luciferase Inhibition,1224835,95717,O=C1CCCc2c1cc1ccc3cccc4ccc2c1c34
-Luciferase Inhibition,1224835,98613,NNc1nc(-c2ccccc2)cs1
-Luciferase Inhibition,1224835,107641,CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
-Luciferase Inhibition,1224835,117640,CC(C)(C)OC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,121639,CC(=O)OCCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1
-Luciferase Inhibition,1224835,122077,O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21
-Luciferase Inhibition,1224835,123504,O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
-Luciferase Inhibition,1224835,127998,CC(=O)SCC(CC(=O)c1ccc(C)cc1)C(=O)O
-Luciferase Inhibition,1224835,134018,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
-Luciferase Inhibition,1224835,142891,CCOC(=O)c1ccc(I)cc1
-Luciferase Inhibition,1224835,153939,NC(=O)N(O)[C@@H]1COc2cc(OCc3ccccc3)ccc21
-Luciferase Inhibition,1224835,155794,COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
-Luciferase Inhibition,1224835,164072,Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)OCC(=O)N(C)C)cc1C2
-Luciferase Inhibition,1224835,174223,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O
-Luciferase Inhibition,1224835,175468,O=C(O)CCCCCCCCCCCBr
-Luciferase Inhibition,1224835,177863,CCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCCCC2
-Luciferase Inhibition,1224835,223368,C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O
-Luciferase Inhibition,1224835,250096,C/C=C(\C)C(=O)OCc1ccccc1
-Luciferase Inhibition,1224835,299728,Cl[Bi](Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
-Luciferase Inhibition,1224835,320930,Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2
-Luciferase Inhibition,1224835,387179,O=Cc1cc(O)ccc1Br
-Luciferase Inhibition,1224835,409301,C[Hg]Cl
-Luciferase Inhibition,1224835,444795,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
-Luciferase Inhibition,1224835,445154,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
-Luciferase Inhibition,1224835,449171,CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1
-Luciferase Inhibition,1224835,459494,c1ccc(CCCc2ccccn2)cc1
-Luciferase Inhibition,1224835,462368,CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
-Luciferase Inhibition,1224835,520148,CCC(C)C(=O)OCCc1ccccc1
-Luciferase Inhibition,1224835,586708,CCCCCCCCCOC(=O)c1ccc(O)cc1
-Luciferase Inhibition,1224835,608116,CC(c1ccc(O)cc1)c1ccc(O)cc1
-Luciferase Inhibition,1224835,637511,O=C/C=C/c1ccccc1
-Luciferase Inhibition,1224835,637758,CCOC(=O)/C=C/c1ccccc1
-Luciferase Inhibition,1224835,638024,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
-Luciferase Inhibition,1224835,638088,C(=C/c1ccccc1)\c1ccccc1
-Luciferase Inhibition,1224835,697993,S=c1[nH]c2ccccc2s1
-Luciferase Inhibition,1224835,778574,CC(C)COC(=O)/C=C/c1ccccc1
-Luciferase Inhibition,1224835,919792,O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O
-Luciferase Inhibition,1224835,969516,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
-Luciferase Inhibition,1224835,1549133,CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
-Luciferase Inhibition,1224835,1550232,COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
-Luciferase Inhibition,1224835,1550890,O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1
-Luciferase Inhibition,1224835,2723630,S=c1[nH][nH]c(=S)s1
-Luciferase Inhibition,1224835,2723694,CC(C)(C)c1ccc(C(=O)CCCCl)cc1
-Luciferase Inhibition,1224835,2723772,Cn1[nH]nnc1=S
-Luciferase Inhibition,1224835,2724411,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O
-Luciferase Inhibition,1224835,2733708,CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl
-Luciferase Inhibition,1224835,2737408,CC(C)(C)OC(=O)c1cccc(N)c1
-Luciferase Inhibition,1224835,3032581,S=C([S-])NCCNC(=S)[S-].[Mn+2]
-Luciferase Inhibition,1224835,3033825,C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
-Luciferase Inhibition,1224835,3378440,O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
-Luciferase Inhibition,1224835,3391107,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
-Luciferase Inhibition,1224835,3417419,Nc1ccc(O)c([N+](=O)[O-])c1
-Luciferase Inhibition,1224835,3465817,Nc1ccc(NCCO)c([N+](=O)[O-])c1
-Luciferase Inhibition,1224835,4047281,CCOC(=O)COc1ccc(C)cc1
-Luciferase Inhibition,1224835,4338370,Nc1ccc(N)c([N+](=O)[O-])c1
-Luciferase Inhibition,1224835,4373502,NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
-Luciferase Inhibition,1224835,4578030,CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1
-Luciferase Inhibition,1224835,4659569,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1
-Luciferase Inhibition,1224835,5273467,CC(C)CCOC(=O)/C=C/c1ccccc1
-Luciferase Inhibition,1224835,5273469,O=C(/C=C/c1ccccc1)OCc1ccccc1
-Luciferase Inhibition,1224835,5273621,COc1cc(/C=C/c2ccccc2)oc(=O)c1
-Luciferase Inhibition,1224835,5280343,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
-Luciferase Inhibition,1224835,5280373,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1
-Luciferase Inhibition,1224835,5280378,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
-Luciferase Inhibition,1224835,5280443,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
-Luciferase Inhibition,1224835,5280863,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
-Luciferase Inhibition,1224835,5280961,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
-Luciferase Inhibition,1224835,5281055,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
-Luciferase Inhibition,1224835,5281567,COC1=CC(=O)O[C@@H](/C=C/c2ccc3c(c2)OCO3)C1
-Luciferase Inhibition,1224835,5281575,COc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1
-Luciferase Inhibition,1224835,5281607,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
-Luciferase Inhibition,1224835,5281707,O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12
-Luciferase Inhibition,1224835,5281708,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
-Luciferase Inhibition,1224835,5281855,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
-Luciferase Inhibition,1224835,5282203,CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1
-Luciferase Inhibition,1224835,5282379,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
-Luciferase Inhibition,1224835,5282745,CCCCCC/C=C/CCCCCCCC(=O)O
-Luciferase Inhibition,1224835,5284369,Nc1ccccc1C(=O)OC/C=C/c1ccccc1
-Luciferase Inhibition,1224835,5284459,O=[N+]([O-])/C=C/c1ccccc1
-Luciferase Inhibition,1224835,5311454,CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,1224835,5320530,O=C(/C=C/c1ccccc1)OCCCc1ccccc1
-Luciferase Inhibition,1224835,5354280,C/C=C/c1ccc(OCC)c(O)c1
-Luciferase Inhibition,1224835,5355851,CC(C)C(=O)OC/C=C/c1ccccc1
-Luciferase Inhibition,1224835,5357002,C/C=C(\C)C(=O)OCCc1ccccc1
-Luciferase Inhibition,1224835,5360487,O=C1c2c(O)ccc(Nc3ccc(CCO)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
-Luciferase Inhibition,1224835,5367706,CC/C=C\CCOC(=O)c1ccccc1
-Luciferase Inhibition,1224835,5369459,O=C(/C=C/c1ccccc1)OCCc1ccccc1
-Luciferase Inhibition,1224835,5371102,CC/C=C\CCOC(=O)c1ccccc1O
-Luciferase Inhibition,1224835,5377323,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
-Luciferase Inhibition,1224835,5388510,CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1
-Luciferase Inhibition,1224835,5462814,NC(=O)/N=N/C(N)=O
-Luciferase Inhibition,1224835,5702746,CC[C@H](C)COC(=O)/C=C/c1ccc(N=Cc2ccc(OC)cc2)cc1
-Luciferase Inhibition,1224835,5803450,CCC(=O)/C=C/c1ccc(OC)cc1
-Luciferase Inhibition,1224835,6040503,CC(=O)/C=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,1224835,6063342,COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1
-Luciferase Inhibition,1224835,6252910,NC(N)=NN=C(/C=C/c1ccc([N+](=O)[O-])o1)/C=C/c1ccc([N+](=O)[O-])o1
-Luciferase Inhibition,1224835,6436135,CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O
-Luciferase Inhibition,1224835,6450551,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
-Luciferase Inhibition,1224835,6451155,CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
-Luciferase Inhibition,1224835,9570327,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
-Luciferase Inhibition,1224835,9570438,N/C(=N\N=C\c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1
-Luciferase Inhibition,1224835,9570475,C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1
-Luciferase Inhibition,1224835,9601227,CS/C(C)=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)SC
-Luciferase Inhibition,1224835,9818306,CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
-Luciferase Inhibition,1224835,9819350,Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2
-Luciferase Inhibition,1224835,9862076,Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1
-Luciferase Inhibition,1224835,9867257,O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1
-Luciferase Inhibition,1224835,9869105,NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21
-Luciferase Inhibition,1224835,9882837,OC12N=C(c3ccccc3)SC1Cc1cc(Cl)ccc12
-Luciferase Inhibition,1224835,9885850,NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21
-Luciferase Inhibition,1224835,9888276,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C([O-])C(=O)O
-Luciferase Inhibition,1224835,9926621,Cc1c(-c2cccnc2)c2ccccc2n1CCCCC(=O)O
-Luciferase Inhibition,1224835,9934458,Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O
-Luciferase Inhibition,1224835,10021362,Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
-Luciferase Inhibition,1224835,10113978,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
-Luciferase Inhibition,1224835,10159191,CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1
-Luciferase Inhibition,1224835,10255083,Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O
-Luciferase Inhibition,1224835,10345790,CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21
-Luciferase Inhibition,1224835,10455790,O=C(N[C@@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
-Luciferase Inhibition,1224835,11097730,O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1
-Luciferase Inhibition,1224835,11219835,O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
-Luciferase Inhibition,1224835,11674455,CCCCn1cc[n+](C)c1.[Fe+3]
-Luciferase Inhibition,1224835,12472902,O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O
-Luciferase Inhibition,1224835,15461361,C/C=C(\C)C(=O)OCC/C=C\CC
-Luciferase Inhibition,1224835,16682730,[Hg+]c1ccccc1
-Luciferase Inhibition,1224835,16682738,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC
-Luciferase Inhibition,1224835,16682804,c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
-Luciferase Inhibition,1224835,16682828,C=C(C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC
-Luciferase Inhibition,1224835,16682834,CCCC[Sn+](CCCC)CCCC.O=C([O-])c1ccccc1
-Luciferase Inhibition,1224835,16682935,Cc1ccc([N+](=O)[O-])c([Hg+])c1[O-]
-Luciferase Inhibition,1224835,16682953,c1ccc([Pb+](c2ccccc2)c2ccccc2)cc1
-Luciferase Inhibition,1224835,16683023,CC(O)C(=O)[O-].[Hg+]c1ccccc1
-Luciferase Inhibition,1224835,16683072,C=CC(=O)[O-].CCCC[Sn+](CCCC)CCCC
-Luciferase Inhibition,1224835,16700308,O=C[O-].O=C[O-].O=C[O-]
-Luciferase Inhibition,1224835,22833321,C/C(=C\C(C)CC(C)CC(C)C)C1CC(=O)OC1=O
-Luciferase Inhibition,1224835,22833502,[C-]1=CCC=C1.[Zr+4].c1cc[cH-]c1
-Luciferase Inhibition,1224835,53316393,NC(=O)N(O)[C@@H]1C=C[C@H](Oc2cccc(Oc3ccc(F)cc3)c2)C1
-Luciferase Inhibition,1224835,54677470,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
-Luciferase Inhibition,1224835,54680660,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
-Luciferase Inhibition,1224835,60196270,CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
-Luciferase Inhibition,1224835,86287525,Cc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N2
-Luciferase Inhibition,1224835,91759534,C#CC1=C(C#C)C(=O)C(Cl)=C(Cl)C1=O
-Luciferase Inhibition,1224835,135400471,O=C(N/N=C/c1ccccc1O)c1ccncc1
-Luciferase Inhibition,1224835,135449332,Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c2=O)cc1C
-Luciferase Inhibition,1224835,166642342,CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.[Fe]

CHAFF_individual_AIDs/pubchem_aid_1234_active_curated.csv

@@ -1,25 +0,0 @@
-Type,AID,CID,SMILES
-REDOX,1234,5298,COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O
-REDOX,1234,6763,O=C1C(=O)c2ccccc2-c2ccccc21
-REDOX,1234,460747,Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1
-REDOX,1234,460749,Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2
-REDOX,1234,597363,CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
-REDOX,1234,647501,CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
-REDOX,1234,1736294,CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
-REDOX,1234,1736381,CCOC(=O)c1c2c(n(C)c1C)C(=O)C(=O)c1ccc(Br)cc1-2
-REDOX,1234,1935947,O=S(=O)(Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1)c1ccccc1
-REDOX,1234,3093671,COC1(NS(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C(=O)c2ccccc21
-REDOX,1234,3111378,O=C1C=C(N(CCO)Cc2ccccc2)c2ccccc2C1=O
-REDOX,1234,3164059,CCCc1nc2c(=O)n(C)c(=O)nc-2n(C)n1
-REDOX,1234,3698299,Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc1-2
-REDOX,1234,3757655,CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21
-REDOX,1234,4651019,O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NCc1ccccc1
-REDOX,1234,5401874,CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C
-REDOX,1234,5401878,CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1cccc(C)c1
-REDOX,1234,5433262,Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1
-REDOX,1234,5789769,Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)c(C)c1
-REDOX,1234,5791766,Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1C
-REDOX,1234,5791841,CC(C)c1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1
-REDOX,1234,5998602,O=C(O)c1ccc(NC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
-REDOX,1234,9549141,O=C1C(=O)c2ccc(-c3ccccc3)cc2-c2ccccc21
-REDOX,1234,9549688,Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1

CHAFF_individual_AIDs/pubchem_aid_1269_active_curated.csv

@@ -1,2 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,1269,793991,CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1

CHAFF_individual_AIDs/pubchem_aid_1347047_active_curated.csv

@@ -1,11 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,1347047,75536243,CC(C)(C)C(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
-Luciferase Inhibition,1347047,91892080,COc1ccc(CCC(=O)N2CCCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1
-Luciferase Inhibition,1347047,134787904,O=C(Nc1ccc(F)cc1)c1c[nH]c2cccnc12
-Luciferase Inhibition,1347047,134788065,O=C(Nc1ccc(F)cc1)c1ccc2cc[nH]c2n1
-Luciferase Inhibition,1347047,134790923,O=C(Nc1ccc(Cl)cc1Cl)c1ccc2cc[nH]c2n1
-Luciferase Inhibition,1347047,134791002,C[S+](=O)([O-])c1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)nn3cccc23)cc1
-Luciferase Inhibition,1347047,134791402,O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c2cccnc12
-Luciferase Inhibition,1347047,134791434,Cn1cccc1CN1CCn2c(nn(-c3ccc(Cl)cc3)c2=O)C1
-Luciferase Inhibition,1347047,134805540,COCCN1CCOc2nc(-c3cc4ccccc4o3)ncc2C1=O
-Luciferase Inhibition,1347047,134807685,O=C1c2cnc(-c3ccc(Cl)cc3)nc2OCCN1Cc1ccccc1

CHAFF_individual_AIDs/pubchem_aid_1379_active_curated.csv

@@ -1,534 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,1379,135533980,Cc1ccc(-n2nc3c(n2)/C(=N/O)CC/C3=N\O)cc1
-Luciferase Inhibition,1379,135519933,C=CCN=C1NN=C(c2ccc3c(c2)OCCO3)CS1
-Luciferase Inhibition,1379,135517110,C/C(=N/NC(=O)c1cccs1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O
-Luciferase Inhibition,1379,135516996,COC(=O)c1sccc1N/N=C/c1cccc(OC)c1O
-Luciferase Inhibition,1379,135516994,Cc1cc(=O)[nH]c(N/N=C/c2sccc2C)n1
-Luciferase Inhibition,1379,135512353,Cc1cc(=O)[nH]c(N=N/C(=N/Nc2ccc(O)cc2)c2ccccc2)n1
-Luciferase Inhibition,1379,135512352,COc1ccc(N/N=C(/N=Nc2nc(C)cc(=O)[nH]2)c2ccccc2)cc1
-Luciferase Inhibition,1379,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
-Luciferase Inhibition,1379,135510954,COc1cc(/C=N/Nc2nn3cnnc3c3ccccc23)ccc1O
-Luciferase Inhibition,1379,135510950,O=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1O
-Luciferase Inhibition,1379,135510264,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O
-Luciferase Inhibition,1379,135501967,Oc1ccc(/C=N/Nc2nccnc2Cl)c(O)c1
-Luciferase Inhibition,1379,135498048,Cc1nonc1C(=O)N/N=C/c1ccc(O)cc1
-Luciferase Inhibition,1379,135497956,Cc1nonc1C(=O)N/N=C/c1ccc(O)c(O)c1
-Luciferase Inhibition,1379,135497932,COc1cccc(/C=N\NC(=O)C2=NNC(=O)C2C)c1O
-Luciferase Inhibition,1379,135477997,CCOc1ccc2nc(/N=C/c3c(C)[nH]n(-c4ccc(C)cc4)c3=O)sc2c1
-Luciferase Inhibition,1379,135476853,Oc1ccc(/C=N/Nc2nccnc2Cl)cc1
-Luciferase Inhibition,1379,135476827,COc1ccc(N=CC2=C(O)c3ccccc3C2=O)c(OC)c1
-Luciferase Inhibition,1379,135472810,COc1cccc(/C=N/Nc2ccc(C(=O)O)cc2)c1O
-Luciferase Inhibition,1379,135468797,CC(C)N=C1NN=C(c2ccc(F)cc2)CS1
-Luciferase Inhibition,1379,135467535,COc1ccc2nc(/N=C/c3c(C)[nH]n(-c4ccc(C)cc4)c3=O)sc2c1
-Luciferase Inhibition,1379,135464796,COc1ccccc1N=Cc1c(O)c2ccccc2oc1=O
-Luciferase Inhibition,1379,135460538,Oc1ccc(/C=N/NC(=S)N/N=C/c2ccc(O)cc2)cc1
-Luciferase Inhibition,1379,135455082,COc1cccc(/C=N/Nc2nccnc2Cl)c1O
-Luciferase Inhibition,1379,135455079,CCOc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)c(O)c1
-Luciferase Inhibition,1379,135452779,COc1cc(/C=N/Nc2nncn2/N=C/c2ccc(O)c(OC)c2)ccc1O
-Luciferase Inhibition,1379,135451622,CCCCn1c(O)c(/C=C/C=C/C=Nc2ccccc2)sc1=S
-Luciferase Inhibition,1379,135450216,O=C1C(C=Nc2ccccc2O)=C(O)c2ccccc21
-Luciferase Inhibition,1379,135443095,O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1O
-Luciferase Inhibition,1379,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,1379,135438323,Cc1cc(C2=NNC(=NC3CC3)SC2)c(C)n1-c1ccccc1F
-Luciferase Inhibition,1379,135436083,Cc1ccccc1N=CC1=C(O)c2ccccc2C1=O
-Luciferase Inhibition,1379,135433820,COc1ccc(N=CC2=C(O)c3ccccc3C2=O)cc1
-Luciferase Inhibition,1379,135424379,c1cc2c(cc1C1=NNC(=NC3CC3)SC1)OCCO2
-Luciferase Inhibition,1379,135417048,O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21
-Luciferase Inhibition,1379,135416862,O=C1C(C=Nc2ccccc2)=C(O)c2ccccc21
-Luciferase Inhibition,1379,135416587,c1ccc(C2=NNC(=NC3CC3)SC2)cc1
-Luciferase Inhibition,1379,135401432,CSc1nc(O)c(/C=C2\C=Nc3ccccc32)[nH]1
-Luciferase Inhibition,1379,135401262,CCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(O)c1
-Luciferase Inhibition,1379,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,1379,24867672,Cc1csc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)ccc3c2=O)n1
-Luciferase Inhibition,1379,21157581,C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccco1
-Luciferase Inhibition,1379,16682730,[Hg+]c1ccccc1
-Luciferase Inhibition,1379,16196311,COc1ccccc1Nc1nnc(SCC2CCCCO2)s1
-Luciferase Inhibition,1379,16196127,CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
-Luciferase Inhibition,1379,16193233,CN1/C(=C\C=C\C=C\C=[N+](C)C)C(C)(C)c2ccccc21.F[B-](F)(F)F
-Luciferase Inhibition,1379,15272053,Cn1c(N=Nc2ccc(N3CCOCC3)cc2)[n+](C)c2ccccc21.O=S(=O)([O-])c1ccccc1
-Luciferase Inhibition,1379,12283192,Cc1csc(-c2nc3ccccc3n2C)n1
-Luciferase Inhibition,1379,9688076,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc3ccccc23)cc1
-Luciferase Inhibition,1379,9668563,O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(Cl)cc1
-Luciferase Inhibition,1379,9662480,Cc1nc(N/N=C/c2ccccn2)sc1C
-Luciferase Inhibition,1379,9660653,Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1
-Luciferase Inhibition,1379,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,1379,9642387,O=C(Nc1ccccc1C(=O)N/N=C/c1ccncc1)c1ccccc1
-Luciferase Inhibition,1379,9638883,N/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccccn1
-Luciferase Inhibition,1379,9637435,O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1ccccc1F
-Luciferase Inhibition,1379,9635765,Cc1ccc2cc(/C=N/Nc3nc4ccccc4[nH]3)c(Cl)nc2c1
-Luciferase Inhibition,1379,9622444,C/C(=N\NC(=O)C1=NNC(=O)C1C)c1cccs1
-Luciferase Inhibition,1379,9616071,C/C(=N\NC(=O)c1ccccn1)c1ccc(C(=O)O)s1
-Luciferase Inhibition,1379,9613210,Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,9590987,COc1ccc(/C=N/Nc2nccnc2Cl)c(OC)c1
-Luciferase Inhibition,1379,9590201,C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
-Luciferase Inhibition,1379,9587494,Cc1cccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCO3)c1
-Luciferase Inhibition,1379,9587369,Cc1cccc(/C(N)=N/OC(=O)c2ccc(F)cc2)c1
-Luciferase Inhibition,1379,9586568,Cc1cccc(/C(N)=N/OC(=O)c2cccs2)c1
-Luciferase Inhibition,1379,9585701,O=[N+]([O-])c1cccc(/C=N/Nc2nccnc2Cl)c1
-Luciferase Inhibition,1379,9585695,COc1ccc(/C=N/Nc2nccnc2Cl)cc1
-Luciferase Inhibition,1379,9582740,Cc1ccsc1/C=N/Nc1nc(=O)[nH]nc1C
-Luciferase Inhibition,1379,9579635,CC(=C/c1ccco1)/C=N/N1CCN(c2ccccc2)CC1
-Luciferase Inhibition,1379,9576791,COc1ccc(/C=N/Nc2nncc3ccccc23)cc1
-Luciferase Inhibition,1379,9567442,N/C(=N\OC(=O)c1ccc2c(c1)OCO2)c1cccc(Br)c1
-Luciferase Inhibition,1379,9567201,N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1
-Luciferase Inhibition,1379,9567149,Brc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1379,9567048,N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
-Luciferase Inhibition,1379,9567043,N/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1
-Luciferase Inhibition,1379,9567023,N/C(=N\OC(=O)c1ccco1)c1ccccn1
-Luciferase Inhibition,1379,9566545,Cn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21
-Luciferase Inhibition,1379,9564922,O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(F)cc1
-Luciferase Inhibition,1379,9564917,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)cc1
-Luciferase Inhibition,1379,9564909,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC)cc1
-Luciferase Inhibition,1379,9563419,CN(C)c1ccc(/C=N/NC(=O)c2ccnn2C)cc1
-Luciferase Inhibition,1379,9557208,O=C(N/N=C/c1ccccc1)c1[nH]ncc1Br
-Luciferase Inhibition,1379,9550873,Cc1ccnc(N2C(=O)c3ccccc3C2O)c1
-Luciferase Inhibition,1379,9550298,O=C(Nc1cccc(O)c1)c1noc2c1CCc1ccccc1-2
-Luciferase Inhibition,1379,9548047,Nc1ccccc1C(=O)/C=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,7502724,CCOc1ccc(-c2ccc(SC)nn2)cc1
-Luciferase Inhibition,1379,7502647,COc1ccc(-c2ccc(SC)nn2)cc1
-Luciferase Inhibition,1379,7086350,COc1ccc2nc(Nc3ccccc3OC)sc2c1
-Luciferase Inhibition,1379,6908412,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
-Luciferase Inhibition,1379,6908092,Cc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)o1
-Luciferase Inhibition,1379,6904602,Cc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)o1
-Luciferase Inhibition,1379,6895627,Cc1nonc1C(=O)N/N=C/c1cccc(O)c1
-Luciferase Inhibition,1379,6895626,Cc1nonc1C(=O)N/N=C/c1ccccc1
-Luciferase Inhibition,1379,6892735,CCNC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1
-Luciferase Inhibition,1379,6885163,CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C
-Luciferase Inhibition,1379,6880130,CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1
-Luciferase Inhibition,1379,6874670,Cc1ccccc1/C=N/NC(=O)c1sccc1C
-Luciferase Inhibition,1379,6873436,Cc1ccsc1C(=O)N/N=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,6871769,O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccs1
-Luciferase Inhibition,1379,6871341,O=C(O/N=C/c1ccc2c(c1)OCO2)c1ccccc1Cl
-Luciferase Inhibition,1379,6867282,COc1cccc(/C=N/Nc2nn3cnnc3c3ccccc23)c1
-Luciferase Inhibition,1379,6861972,O=C(N/N=C/c1c(Cl)cccc1Cl)c1n[nH]c2c1CCCC2
-Luciferase Inhibition,1379,6861946,O=C(N/N=C/c1ccccc1Cl)c1n[nH]c2c1CCCC2
-Luciferase Inhibition,1379,6861406,COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1
-Luciferase Inhibition,1379,6852042,Cc1ncoc1C(=O)Nc1ncc([N+](=O)[O-])s1
-Luciferase Inhibition,1379,6622478,Cc1[nH]c(-c2ccc3c(c2)OCO3)nc1C(=O)O
-Luciferase Inhibition,1379,6618865,CN(c1ccc2nc3ccccc3c(=O)n2n1)C1CCCCC1
-Luciferase Inhibition,1379,6616230,COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1
-Luciferase Inhibition,1379,6604016,Cc1cccc(/C=C\c2ccccc2)n1
-Luciferase Inhibition,1379,6484377,CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/N(C)C
-Luciferase Inhibition,1379,6471065,O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1
-Luciferase Inhibition,1379,6471049,COC(=O)c1sccc1NC(=O)Nc1cccc(F)c1
-Luciferase Inhibition,1379,6469521,CCOc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1
-Luciferase Inhibition,1379,6466954,COC(=O)c1sccc1NC(=O)Nc1ccccc1F
-Luciferase Inhibition,1379,6465507,COc1ccc(NC(=O)Nc2ccccc2SC)cc1
-Luciferase Inhibition,1379,6458298,c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1
-Luciferase Inhibition,1379,6372735,CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc(N(C)C)cc1
-Luciferase Inhibition,1379,6277064,CN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1
-Luciferase Inhibition,1379,6235585,COc1cc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])ccc1O
-Luciferase Inhibition,1379,6181255,CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1379,6143778,N/C(=N\OC(=O)c1ccc(F)cc1)c1nonc1N
-Luciferase Inhibition,1379,6079570,C/C(=N/OC(=O)c1ccc(C)cc1)c1cccs1
-Luciferase Inhibition,1379,6056275,Cc1ccsc1/C=C/c1ccc2ccccc2n1
-Luciferase Inhibition,1379,6050443,Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1
-Luciferase Inhibition,1379,6035979,COc1ccc(/C=C/C(=O)c2ccccn2)cc1
-Luciferase Inhibition,1379,6018480,CCn1ncc(/C=C/C(=O)c2ccccc2)c1C
-Luciferase Inhibition,1379,5851534,Cn1cccc1/C=C1\Cc2ccccc2C1=O
-Luciferase Inhibition,1379,5799835,Cn1cccc1/C=C1\CCc2ccccc2C1=O
-Luciferase Inhibition,1379,5767547,N/C(=N\OC(=O)c1ccccc1Cl)c1ccccn1
-Luciferase Inhibition,1379,5767482,N/C(=N\OC(=O)c1ccccc1)c1ccccn1
-Luciferase Inhibition,1379,5761071,O=C(/C=C/c1ccc2c(c1)OCO2)c1cccs1
-Luciferase Inhibition,1379,5761068,O=C(/C=C/c1ccc(O)cc1)c1cccs1
-Luciferase Inhibition,1379,5756985,CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C\c1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-]
-Luciferase Inhibition,1379,5739531,O=C(/C=C/c1ccnc2ccccc12)c1cccs1
-Luciferase Inhibition,1379,5735198,COc1ccc(/C=C/c2nc3ccccc3n2C)cc1
-Luciferase Inhibition,1379,5730254,Cc1ccc(/C=C/c2nc3ccccc3[nH]2)o1
-Luciferase Inhibition,1379,5730111,Cc1ccc(C2=NC(=O)/C(=C/c3cc(O)c(O)c(Br)c3)S2)cc1
-Luciferase Inhibition,1379,5722360,Cc1ccc(C(=O)O/N=C(\N)c2nonc2N)cc1
-Luciferase Inhibition,1379,5721129,COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1
-Luciferase Inhibition,1379,5720831,C/C(=N\NC(=O)c1ccccc1O)c1cccs1
-Luciferase Inhibition,1379,5708371,CCn1c(/C=C/c2ccccc2)nc2ccccc21
-Luciferase Inhibition,1379,5708370,Cn1c(/C=C/c2ccccc2)nc2ccccc21
-Luciferase Inhibition,1379,5708003,C(=C/c1nc2ccccc2[nH]1)\c1ccccc1
-Luciferase Inhibition,1379,5708002,Clc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1379,5706892,COc1ccccc1N/C=C/c1onc(C)c1[N+](=O)[O-]
-Luciferase Inhibition,1379,5702227,N=C1C=CC(=C(c2cccc(N)c2)c2cccc(N)c2)C=C1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
-Luciferase Inhibition,1379,5524574,COc1ccc(C(=O)O/N=C(\C)c2nccs2)cc1
-Luciferase Inhibition,1379,5459519,COc1ccc2nc3c(cc2c1)Cc1ccccc1-3
-Luciferase Inhibition,1379,5459517,c1ccc2c(c1)Cc1cc3cc4c(cc3nc1-2)OCO4
-Luciferase Inhibition,1379,5413038,O=C(c1ccccc1)c1cc2ccc(O)cc2oc1=O
-Luciferase Inhibition,1379,5412057,COc1ccc(C(=O)O/N=C(\C)c2ccccc2)cc1
-Luciferase Inhibition,1379,5410013,COc1ccc(C(=O)O/N=C(/C)c2cccs2)cc1
-Luciferase Inhibition,1379,5406988,O=C(N/N=C1\CCc2ccccc21)c1ccccc1O
-Luciferase Inhibition,1379,5404075,CSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
-Luciferase Inhibition,1379,5403890,O=C1N/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21
-Luciferase Inhibition,1379,5402012,C/C(=N/NC(=O)c1ccccn1)c1ccco1
-Luciferase Inhibition,1379,5400057,Cc1ccsc1/C=N\NC(=O)c1n[nH]c2c1CCC2
-Luciferase Inhibition,1379,5398663,O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O
-Luciferase Inhibition,1379,5378081,CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1379,5357218,O=C(/C=C/c1ccc(O)cc1)c1ccccc1O
-Luciferase Inhibition,1379,5354119,O=C(/C=C/c1ccccc1)c1ccccn1
-Luciferase Inhibition,1379,5350572,C/C(=N/N=C/c1ccc(N(C)C)cc1)c1ccccc1
-Luciferase Inhibition,1379,5348774,N/C(=N\OC(=O)/C=C/c1ccccc1)c1ccccn1
-Luciferase Inhibition,1379,5347090,C(=N/Nc1nc2ccccc2[nH]1)\c1ccccn1
-Luciferase Inhibition,1379,5346164,N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccccn1
-Luciferase Inhibition,1379,5345697,O=C(/C=C\Nc1ccc2c(c1)OCO2)c1cccs1
-Luciferase Inhibition,1379,5345545,O=C(/C=C\Nc1ccccc1Br)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,5344884,O=C(/C=C/Nc1ccccc1)c1ccccc1
-Luciferase Inhibition,1379,5344702,CCOc1ccc(/C=C/C(=O)c2cccs2)cc1
-Luciferase Inhibition,1379,5343732,C(=C/c1ccco1)\c1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,5343193,N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccn1
-Luciferase Inhibition,1379,5343092,N/C(=N/OC(=O)c1ccccc1F)c1nonc1N
-Luciferase Inhibition,1379,5340764,O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccn1
-Luciferase Inhibition,1379,5340073,CCOc1ccc(/C=N/Nc2ccccn2)cc1
-Luciferase Inhibition,1379,5340071,CCOc1ccc(N/C=C/C(=O)c2ccccc2)c([N+](=O)[O-])c1
-Luciferase Inhibition,1379,5339527,Cc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1379,5339422,Cc1ccc(-c2nc(N/N=C/c3ccncc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1379,5339351,COc1ccc(/C=N/NC(=O)c2nonc2C)cc1
-Luciferase Inhibition,1379,5338763,N/C(=N\OC(=O)c1cccc(F)c1)c1ccccc1
-Luciferase Inhibition,1379,5338744,N/C(=N\OC(=O)c1ccc(F)cc1)c1ccccc1
-Luciferase Inhibition,1379,5338638,N/C(=N\N=C\c1cccc(O)c1)c1nonc1N
-Luciferase Inhibition,1379,5338360,O=C(O)c1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1
-Luciferase Inhibition,1379,5332740,N/C(=N\OC(=O)c1cccs1)c1ccccc1
-Luciferase Inhibition,1379,5332708,N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
-Luciferase Inhibition,1379,5331963,COc1ccc(/C=N/N=C(\N)c2nonc2N)cc1
-Luciferase Inhibition,1379,5331889,CCOC(=O)c1oc2c(c1C)/C(=N/O)CCC2
-Luciferase Inhibition,1379,5310753,O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1
-Luciferase Inhibition,1379,5310447,O=C(Nc1nc2cc3c(cc2s1)OCO3)C1=COCCO1
-Luciferase Inhibition,1379,5309478,Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1
-Luciferase Inhibition,1379,5308990,Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)sc2n1
-Luciferase Inhibition,1379,5308351,Cc1ccc(N2C(=O)c3ccccc3C2O)nc1
-Luciferase Inhibition,1379,5305368,O=C(O)c1cc(/C=C/c2ccc(N3CCOCC3)cc2)nc2ccccc12
-Luciferase Inhibition,1379,5218788,Cc1ccc(O)c(N=Nc2ccccc2)n1
-Luciferase Inhibition,1379,5210304,Cn1c(N=Nc2ccccc2)nc2ccccc21
-Luciferase Inhibition,1379,5185679,O=C(COC(=O)c1cccnc1Cl)c1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,5151446,Cc1nc(-c2ccc(C(=O)N3CCCC3)cc2)cs1
-Luciferase Inhibition,1379,5094231,Cn1cccc1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
-Luciferase Inhibition,1379,5003862,COc1ccc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2c1
-Luciferase Inhibition,1379,4880974,O=C(Nc1ccc(N2CCOCC2)cc1)c1cn2ccccc2n1
-Luciferase Inhibition,1379,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,1379,4546004,Cc1ccc(N=Cc2c(C)[nH]n(-c3nc4ccccc4[nH]3)c2=O)cc1
-Luciferase Inhibition,1379,4035153,CCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)C1CCS(=O)(=O)C1
-Luciferase Inhibition,1379,4012023,Cc1ccsc1C(=O)Nc1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,3988576,Cc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1
-Luciferase Inhibition,1379,3876995,CCOc1ccc(N=Cc2c(C)[nH]n(-c3nc4ccccc4[nH]3)c2=O)cc1
-Luciferase Inhibition,1379,3787371,Cn1cccc1C(=O)C(=O)Nc1ccccc1
-Luciferase Inhibition,1379,3748066,COc1cc(O)oc1C=Nc1ccc(C(=O)O)cc1
-Luciferase Inhibition,1379,3574139,COc1ccc(C(=O)Nn2c(SCC(=O)NC3CCCCC3)nc3ccccc3c2=O)cc1
-Luciferase Inhibition,1379,3551008,Cc1ccc(CSc2nc3ccncc3[nH]2)cc1
-Luciferase Inhibition,1379,3429885,CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1C
-Luciferase Inhibition,1379,3418782,Cc1ccc(C(=O)Nc2ncc3c(Cl)cccc3n2)cc1
-Luciferase Inhibition,1379,3373731,Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1CC1CCCO1
-Luciferase Inhibition,1379,3361479,Cn1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)O
-Luciferase Inhibition,1379,3248930,COC(=O)c1ccc(NC(=O)C(=O)c2cccn2C)cc1
-Luciferase Inhibition,1379,3245604,c1c2c(cc3sc(N4CCOCC4)nc13)OCO2
-Luciferase Inhibition,1379,3243985,O=C1c2ccccc2C(=O)C1c1nccc2ccccc12
-Luciferase Inhibition,1379,3243735,c1c2c(cc3sc(N4CCCCC4)nc13)OCO2
-Luciferase Inhibition,1379,3240968,c1c2c(cc3sc(N4CCCCC4)nc13)OCCO2
-Luciferase Inhibition,1379,3239596,COc1cccc(C=Nc2ccc3c(c2)OCCO3)c1O
-Luciferase Inhibition,1379,3238728,CCOc1ccc(NC(=O)c2nccnc2CO)cc1
-Luciferase Inhibition,1379,3238335,N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br
-Luciferase Inhibition,1379,3233841,CN(C)C(=O)c1ccc(-c2nc(N(C)C)c3ccccc3n2)cc1
-Luciferase Inhibition,1379,3231552,COCCOC(=O)CSc1ncccc1-c1nc2cc(C)c(C)cc2[nH]1
-Luciferase Inhibition,1379,3227807,Cc1ccc2c(c1)c1nnc(SCC(=O)N3CCCc4ccccc43)nc1n2CC(=O)O
-Luciferase Inhibition,1379,3169207,Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCCN(C)C)cc2c1
-Luciferase Inhibition,1379,3160510,O=C(NCC1CCCO1)c1csc(Nc2cccc3ccccc23)n1
-Luciferase Inhibition,1379,3147333,O=C(Nc1ccccc1)C(=O)Nc1ccccn1
-Luciferase Inhibition,1379,3137738,O=C1C2C3C=CC(C3)C2C(=O)N1CCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O
-Luciferase Inhibition,1379,3110002,Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1C
-Luciferase Inhibition,1379,3025961,Cc1cccc(C#Cc2ccccc2)n1
-Luciferase Inhibition,1379,2999111,O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1
-Luciferase Inhibition,1379,2998797,Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C
-Luciferase Inhibition,1379,2998738,O=C(NC1=NCCS1)C1COc2ccccc2O1
-Luciferase Inhibition,1379,2988698,O=C(Nc1ccc(F)cc1)Nc1ccccc1F
-Luciferase Inhibition,1379,2981237,Cc1cc(-c2nc3ccccc3[nH]2)ccc1N
-Luciferase Inhibition,1379,2971468,Cc1ccc(C(=O)N2c3ccccc3CC2C)o1
-Luciferase Inhibition,1379,2953135,CCc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
-Luciferase Inhibition,1379,2951757,CCc1ccc(C2CC(c3ccco3)=NN2S(C)(=O)=O)cc1
-Luciferase Inhibition,1379,2950184,Cc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1
-Luciferase Inhibition,1379,2947294,Cc1ccc2c(c1)C(N1CCCC1=O)CC(c1ccco1)N2
-Luciferase Inhibition,1379,2941429,O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1
-Luciferase Inhibition,1379,2910846,COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
-Luciferase Inhibition,1379,2882008,CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\N(C)C
-Luciferase Inhibition,1379,2876085,CCCOc1ccc(-c2cn3ccccc3n2)cc1
-Luciferase Inhibition,1379,2864416,Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)C(C)C)CC1
-Luciferase Inhibition,1379,2857250,CCc1nnc(NS(=O)(=O)c2ccc(N=Cc3c(C)[nH]n(-c4ccc(C)c(C)c4)c3=O)cc2)s1
-Luciferase Inhibition,1379,2833794,CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1379,2831996,Oc1c(N=Nc2ccccn2)ccc2ccccc12
-Luciferase Inhibition,1379,2787061,O=C(COc1ccccc1)Nc1nccs1
-Luciferase Inhibition,1379,2769183,Cc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O
-Luciferase Inhibition,1379,2767324,O=C1c2ccccc2-c2nnc(-c3ccc(O)cc3)cc21
-Luciferase Inhibition,1379,2765447,O=C1c2ccccc2-c2nnc(-c3ccc(F)cc3)cc21
-Luciferase Inhibition,1379,2594234,Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1
-Luciferase Inhibition,1379,2576382,CCc1sc(C(=O)N2CCc3ccccc32)cc1C
-Luciferase Inhibition,1379,2574102,Cc1csc(NC(=O)c2ccc(N3CCCC3=O)cc2)n1
-Luciferase Inhibition,1379,2572325,O=C(Nc1nccs1)c1cc2c(s1)CCCCC2
-Luciferase Inhibition,1379,2568591,O=C(Nc1ccc2c(c1)OCCO2)c1ccccn1
-Luciferase Inhibition,1379,2542040,COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1
-Luciferase Inhibition,1379,2522659,CSc1ccc(/C=C/C(=O)Nc2ccccc2)cc1
-Luciferase Inhibition,1379,2476715,CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
-Luciferase Inhibition,1379,2467100,Cc1csc(NC(=O)c2cn3ccccc3n2)n1
-Luciferase Inhibition,1379,2438361,Cc1ccnc2nc(C(=O)Nc3ccc4c(c3)OCO4)nn12
-Luciferase Inhibition,1379,2434897,Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(C)o1
-Luciferase Inhibition,1379,2408490,O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccn1
-Luciferase Inhibition,1379,2405593,C=CCN(CC=C)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl
-Luciferase Inhibition,1379,2395074,O=C(Nc1ccc2c(c1)OCCO2)c1coc2ccccc2c1=O
-Luciferase Inhibition,1379,2386027,O=c1c(Cl)c(N2CCCCC2)cnn1-c1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,2384328,O=c1c(Cl)c(NCCCO)cnn1-c1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,2374619,Cc1ccsc1/C=C1\CCc2ccccc2C1=O
-Luciferase Inhibition,1379,2354963,CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
-Luciferase Inhibition,1379,2351184,CCCOc1ccc2cc(-c3ccccn3)c(=O)oc2c1
-Luciferase Inhibition,1379,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,1379,2322773,COc1ccc(C(=O)N=c2nc3ccccn3s2)cc1
-Luciferase Inhibition,1379,2322378,Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,2314694,O=C(Nc1nc2ccccc2s1)C1=COCCO1
-Luciferase Inhibition,1379,2304812,O=Nc1ccc(NOC(=O)c2ccccc2)cc1
-Luciferase Inhibition,1379,2302856,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
-Luciferase Inhibition,1379,2269543,Cc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
-Luciferase Inhibition,1379,2260658,O=C(/C=C/Nc1ccccc1Br)c1ccccn1
-Luciferase Inhibition,1379,2249530,COc1ccc(C(=O)/C=C/Nc2ccccn2)cc1
-Luciferase Inhibition,1379,2248499,O=C1/C(=C/Nc2ccc3c(c2)OCO3)CCc2ccccc21
-Luciferase Inhibition,1379,2244116,O=C(/C=C/Nc1ccc(Br)cc1F)c1ccccc1
-Luciferase Inhibition,1379,2242075,COC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
-Luciferase Inhibition,1379,2220889,COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC
-Luciferase Inhibition,1379,2210693,O=C(/C=C/Nc1ccc(F)cc1F)c1cccs1
-Luciferase Inhibition,1379,2200749,COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C
-Luciferase Inhibition,1379,2197085,O=C(/C=C/Nc1ccc(Br)cc1F)c1ccco1
-Luciferase Inhibition,1379,2196922,O=C(/C=C/Nc1ccc(F)cc1F)c1ccco1
-Luciferase Inhibition,1379,2192587,CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)N(C)C1=S
-Luciferase Inhibition,1379,2190777,NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl
-Luciferase Inhibition,1379,2188632,CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1
-Luciferase Inhibition,1379,2188061,NC(=O)c1ccccc1N/C=C/C(=O)c1ccccc1
-Luciferase Inhibition,1379,2187768,NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1
-Luciferase Inhibition,1379,2185938,Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1
-Luciferase Inhibition,1379,2185044,O=C(COc1ccccc1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1
-Luciferase Inhibition,1379,2166675,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F
-Luciferase Inhibition,1379,2150837,COc1ccc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)cc1
-Luciferase Inhibition,1379,2150804,COc1ccc(C)c2sc(=NC(=O)c3ccccc3)n(C)c12
-Luciferase Inhibition,1379,2114872,O=C(Nc1nc2ccc(F)cc2s1)c1ccccn1
-Luciferase Inhibition,1379,2114403,O=C(Nc1nnc(C2CC2)s1)c1ccccn1
-Luciferase Inhibition,1379,2103131,Nc1cc(C2CCCC2)nn1-c1ccccc1
-Luciferase Inhibition,1379,2055975,Cc1cc(N)n2nc(-c3ccccc3)cc2n1
-Luciferase Inhibition,1379,1980018,CN(C)c1ccc(N/C=C/C(=O)c2ccco2)cc1
-Luciferase Inhibition,1379,1952758,Clc1ccccc1Nc1nnc(-c2ccncc2)s1
-Luciferase Inhibition,1379,1915589,CCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1379,1898255,O=C(Nc1cccc(O)c1)C(=O)Nc1ccccn1
-Luciferase Inhibition,1379,1894380,CCCCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1379,1878864,CCCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1379,1810453,O=C1/C(=C/c2cccs2)CCc2ccccc21
-Luciferase Inhibition,1379,1799292,CCOC(=O)C(=O)Nc1cc(C)on1
-Luciferase Inhibition,1379,1767776,CCNC(=S)NNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12
-Luciferase Inhibition,1379,1767610,CCNC(=S)NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12
-Luciferase Inhibition,1379,1752111,O=C(Nc1nc2ccccc2s1)c1cnccn1
-Luciferase Inhibition,1379,1732127,CCOCC(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl
-Luciferase Inhibition,1379,1633230,CN1/C(=C/C(=O)c2cccs2)Sc2ccccc21
-Luciferase Inhibition,1379,1594526,O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12
-Luciferase Inhibition,1379,1559440,O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccccc21
-Luciferase Inhibition,1379,1547963,Cc1ccc(-c2nnc(Nc3ccccc3)o2)cc1
-Luciferase Inhibition,1379,1523620,Cc1ccnc(NC(=O)c2cc3ccccc3oc2=O)c1
-Luciferase Inhibition,1379,1516852,Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1
-Luciferase Inhibition,1379,1509911,Cn1nccc1C(=O)Nc1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,1489664,COc1ccc(C2=Nc3cc(C)ccc3OC2)cc1
-Luciferase Inhibition,1379,1489562,Cc1cccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)c1
-Luciferase Inhibition,1379,1489560,O=Nc1c2cc(-c3ccccc3)[nH]nc-2c2ccccc12
-Luciferase Inhibition,1379,1482205,O=C(Nc1ccccc1)Nc1ccc2ocnc2c1
-Luciferase Inhibition,1379,1481827,COc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
-Luciferase Inhibition,1379,1478334,Cc1ccc2oc3nc(C)c(C(=O)O)cc3c(=O)c2c1
-Luciferase Inhibition,1379,1471355,Cc1ccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)cc1
-Luciferase Inhibition,1379,1449344,Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1
-Luciferase Inhibition,1379,1433869,CC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3
-Luciferase Inhibition,1379,1432746,Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nc3)[nH]c2cc1C
-Luciferase Inhibition,1379,1360413,CN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1
-Luciferase Inhibition,1379,1327881,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1
-Luciferase Inhibition,1379,1308940,COc1cc(/C=C2/C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)cc1O
-Luciferase Inhibition,1379,1247300,Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1
-Luciferase Inhibition,1379,1247120,Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1
-Luciferase Inhibition,1379,1245715,Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1
-Luciferase Inhibition,1379,1245575,Cc1ccc(C(=O)Nc2nc3ccccc3s2)s1
-Luciferase Inhibition,1379,1245272,COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,1379,1245270,Cc1occc1C(=O)Nc1ccc2c(c1)CCC2
-Luciferase Inhibition,1379,1236969,Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1
-Luciferase Inhibition,1379,1232495,O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,1141334,Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1ccco1
-Luciferase Inhibition,1379,1139546,COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1
-Luciferase Inhibition,1379,1128152,CC(=NCc1ccco1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O
-Luciferase Inhibition,1379,1121741,COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
-Luciferase Inhibition,1379,1116221,Cc1ccnc(NC(=O)c2ccc3c(c2)OCO3)c1
-Luciferase Inhibition,1379,1090057,Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1
-Luciferase Inhibition,1379,1088432,Cc1ccc(C(=O)n2c(N)nc3ccccc32)cc1
-Luciferase Inhibition,1379,1088430,Nc1nc2ccccc2n1C(=O)c1ccccc1
-Luciferase Inhibition,1379,1084688,c1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1
-Luciferase Inhibition,1379,1051573,COc1nccnc1NS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)cc1
-Luciferase Inhibition,1379,1040061,Cc1cc(C(=O)Nc2ccccc2)oc1C
-Luciferase Inhibition,1379,1039883,COc1ncnc2sc(-c3ccccc3)cc12
-Luciferase Inhibition,1379,975410,O=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,973898,COc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1
-Luciferase Inhibition,1379,972027,CCOc1ccc(NC(=O)Nc2ccccc2SC)cc1
-Luciferase Inhibition,1379,971277,CCOc1ccc(NC(=O)Nc2cc(C)ccc2F)cc1
-Luciferase Inhibition,1379,970042,COC(=O)c1sccc1NC(=O)Nc1cccc(C(C)=O)c1
-Luciferase Inhibition,1379,959101,CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
-Luciferase Inhibition,1379,945758,Cc1ccnc(Nc2nc3ccccc3o2)n1
-Luciferase Inhibition,1379,934269,CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1C
-Luciferase Inhibition,1379,930735,O=c1cc(-c2ccccc2)[nH]c2nc3ccccc3n12
-Luciferase Inhibition,1379,926663,c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1
-Luciferase Inhibition,1379,912656,COc1ccccc1-c1nc(-c2ccccn2)no1
-Luciferase Inhibition,1379,904031,CCOc1ccc(NC(=O)c2ccccn2)cc1
-Luciferase Inhibition,1379,903516,Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)o1
-Luciferase Inhibition,1379,903282,Cc1cccc(NC(=O)/C=C/c2cccs2)n1
-Luciferase Inhibition,1379,900795,Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)O
-Luciferase Inhibition,1379,900240,Cc1ccc(C=C2C(=O)c3ccccc3C2=O)s1
-Luciferase Inhibition,1379,897852,COc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,897776,Cc1ccc(C(=O)N2CCc3ccccc32)o1
-Luciferase Inhibition,1379,897579,Cc1ccnc(NC(=O)c2ccoc2C)c1
-Luciferase Inhibition,1379,897154,Cc1ccc(NC(=O)c2ccoc2C)cc1C
-Luciferase Inhibition,1379,897120,COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C
-Luciferase Inhibition,1379,894698,O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1
-Luciferase Inhibition,1379,893238,COc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1
-Luciferase Inhibition,1379,893017,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
-Luciferase Inhibition,1379,892017,c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1
-Luciferase Inhibition,1379,891145,CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,1379,887918,Cc1occc1C(=O)Nc1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,1379,885280,Cc1ccc(C(=O)ONc2ccc(N=O)cc2)cc1
-Luciferase Inhibition,1379,877917,O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1
-Luciferase Inhibition,1379,875199,O=C(OCC(=O)c1cccs1)c1ccccc1
-Luciferase Inhibition,1379,870214,Cc1ccc(-c2nc3ccccc3[nH]2)s1
-Luciferase Inhibition,1379,868748,CCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1379,867445,O=c1c(=NNc2ccccc2Cl)c(=O)c2ccccc12
-Luciferase Inhibition,1379,854979,c1ccn2cc(-c3ccc4c(c3)OCCO4)nc2c1
-Luciferase Inhibition,1379,853791,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)O
-Luciferase Inhibition,1379,853103,COc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
-Luciferase Inhibition,1379,852162,O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccco1
-Luciferase Inhibition,1379,851610,O=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1
-Luciferase Inhibition,1379,850408,O=C(Nc1ccccn1)c1onc2c1CCCC2
-Luciferase Inhibition,1379,850407,Cc1cccc(NC(=O)c2onc3c2CCCC3)n1
-Luciferase Inhibition,1379,849451,O=C1C(=C2SCCCS2)CC/C1=C\c1ccc(F)cc1
-Luciferase Inhibition,1379,846401,CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C
-Luciferase Inhibition,1379,846394,O=c1oc2ccccc2cc1-c1nc2c(s1)CCCC2
-Luciferase Inhibition,1379,844700,COC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
-Luciferase Inhibition,1379,841484,Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)nn1C
-Luciferase Inhibition,1379,839616,O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1
-Luciferase Inhibition,1379,838877,c1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1
-Luciferase Inhibition,1379,831650,COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1
-Luciferase Inhibition,1379,830970,Cc1ccn2cc(-c3cc4ccccc4oc3=O)nc2c1
-Luciferase Inhibition,1379,821516,COc1ccc(NC(=O)c2ccccn2)cc1
-Luciferase Inhibition,1379,820033,O=C(NN=C1CCCC1)c1n[nH]c2c1CCCC2
-Luciferase Inhibition,1379,808904,Cc1occc1-c1nc(-c2ccccn2)no1
-Luciferase Inhibition,1379,808216,c1ccc(-c2noc(-c3ccncc3)n2)nc1
-Luciferase Inhibition,1379,806167,Cc1ccc(-c2nc3ccccc3n2C)o1
-Luciferase Inhibition,1379,803159,CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1
-Luciferase Inhibition,1379,803124,O=c1c2ccccc2cnn1CCOc1ccccc1
-Luciferase Inhibition,1379,801271,CN(C)c1ccc(NC(=S)c2ccccn2)cc1
-Luciferase Inhibition,1379,799774,COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC
-Luciferase Inhibition,1379,797675,Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCC3
-Luciferase Inhibition,1379,793994,Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12
-Luciferase Inhibition,1379,793991,CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1379,793731,Cc1c(N=Cc2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C
-Luciferase Inhibition,1379,793586,Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N
-Luciferase Inhibition,1379,792334,O=C(COc1ccc(Cl)cc1Cl)Nc1ccccn1
-Luciferase Inhibition,1379,789961,COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1
-Luciferase Inhibition,1379,789893,COc1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,1379,789864,COc1cccc(-c2nc(-c3ccccn3)no2)c1
-Luciferase Inhibition,1379,788616,COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
-Luciferase Inhibition,1379,788273,Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C
-Luciferase Inhibition,1379,784818,Cc1ccc2nc(-c3cccc(N)c3)[nH]c2c1
-Luciferase Inhibition,1379,784698,COc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1
-Luciferase Inhibition,1379,781698,CN(C)c1ccc(N=Cc2ccco2)cc1
-Luciferase Inhibition,1379,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,1379,779814,O=C(/C=C/c1ccco1)N1CCc2ccccc21
-Luciferase Inhibition,1379,772058,Cn1c(=O)c2c(nc(NN=C3CCCCC3)n2C)n(C)c1=O
-Luciferase Inhibition,1379,765284,COc1ccc(N/C=C2\CCc3ccccc3C2=O)cc1
-Luciferase Inhibition,1379,763882,Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,1379,763880,c1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,1379,761213,CCc1nn2cc(-c3ccccc3)nc2s1
-Luciferase Inhibition,1379,759208,Fc1ccc(NCc2cn3ccccc3n2)cc1
-Luciferase Inhibition,1379,754802,COc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1
-Luciferase Inhibition,1379,754796,COc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1
-Luciferase Inhibition,1379,754001,COc1ccc2nc(-c3cccc(N)c3)[nH]c2c1
-Luciferase Inhibition,1379,752709,Brc1ccc(-c2nc(-c3ccccn3)no2)o1
-Luciferase Inhibition,1379,748350,O=C(Nc1ccccn1)c1cc2ccccc2o1
-Luciferase Inhibition,1379,744236,CN(C)c1ccc(-c2nc3ccccc3n2C)cc1
-Luciferase Inhibition,1379,743729,COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1
-Luciferase Inhibition,1379,741426,O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,732622,CCOc1ccc(OCC(=O)Nc2nccs2)cc1
-Luciferase Inhibition,1379,732488,Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1
-Luciferase Inhibition,1379,727719,O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccco1
-Luciferase Inhibition,1379,727588,O=c1c2ccccc2cnn1-c1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,726463,COC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,1379,725692,O=C(Nc1ccccc1)c1cc2ccccc2o1
-Luciferase Inhibition,1379,724615,COc1ccc(NC(=O)c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1379,723043,c1ccc2nc(-c3nc4ccccc4o3)ccc2c1
-Luciferase Inhibition,1379,721272,COc1ccc(OCC(=O)Nc2nccs2)cc1
-Luciferase Inhibition,1379,721011,Cc1ccc(-c2nc3ccccc3[nH]2)cc1N
-Luciferase Inhibition,1379,720519,CCOc1ccc(-c2cn3ccccc3n2)cc1
-Luciferase Inhibition,1379,713337,CC(=O)c1c(CC(=O)O)[nH]n(-c2nc3ccccc3s2)c1=O
-Luciferase Inhibition,1379,709499,Cc1ccccc1OCc1nc2ccccc2[nH]1
-Luciferase Inhibition,1379,705951,COC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O
-Luciferase Inhibition,1379,703759,Cc1nn(-c2nc3ccccc3[nH]2)c(=O)c2ccccc12
-Luciferase Inhibition,1379,701648,Cc1ccsc1/C=C1\SC(N2CCOCC2)=NC1=O
-Luciferase Inhibition,1379,700561,Cc1ccccc1-c1nc(-c2ccccn2)no1
-Luciferase Inhibition,1379,699629,c1ccc(-c2noc(-c3cccs3)n2)nc1
-Luciferase Inhibition,1379,698583,Cc1ccc(C=C2C(=O)c3ccccc3C2=O)o1
-Luciferase Inhibition,1379,695758,Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl
-Luciferase Inhibition,1379,692194,O=C(Nc1ccc2c(c1)OCO2)c1cccs1
-Luciferase Inhibition,1379,687087,COc1ccc(C(=O)Nc2cccc(OC)c2)cc1
-Luciferase Inhibition,1379,685040,COc1ccc(CSc2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1379,679717,CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1
-Luciferase Inhibition,1379,675358,Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCCC3)o1
-Luciferase Inhibition,1379,667720,Cc1ccc(-c2cn3cc(C)ccc3n2)cc1
-Luciferase Inhibition,1379,666986,Nc1ncc(-c2cc3ccccc3oc2=O)s1
-Luciferase Inhibition,1379,665950,O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1
-Luciferase Inhibition,1379,665033,Cn1c(-c2ccc(Br)o2)nc2ccccc21
-Luciferase Inhibition,1379,664789,O=C(c1ccco1)n1c(=S)nc2ccccn21
-Luciferase Inhibition,1379,663880,Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12
-Luciferase Inhibition,1379,660258,Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl
-Luciferase Inhibition,1379,659563,c1ccc(-c2ccc(-c3ccccn3)nn2)nc1
-Luciferase Inhibition,1379,659505,Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C
-Luciferase Inhibition,1379,659191,O=C(c1cccs1)c1ccc(-c2cccs2)s1
-Luciferase Inhibition,1379,657882,COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
-Luciferase Inhibition,1379,657611,N#CC(C#N)=c1ccc2c(c1)NC1(CCCCC1)N=2
-Luciferase Inhibition,1379,655025,O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1ccccn1
-Luciferase Inhibition,1379,653969,COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
-Luciferase Inhibition,1379,653744,Cc1ncsc1C(=O)Nc1nc2c(s1)CCCC2
-Luciferase Inhibition,1379,653666,Cc1ccc(NC(=O)c2cccc(Cl)c2)nc1
-Luciferase Inhibition,1379,653562,Cc1cc2nc(-c3cccnc3SCC(=O)NCc3ccco3)[nH]c2cc1C
-Luciferase Inhibition,1379,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,1379,651000,CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1
-Luciferase Inhibition,1379,649492,Cn1c(-c2ccco2)nc2cc3ccccc3cc21
-Luciferase Inhibition,1379,648801,COc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
-Luciferase Inhibition,1379,647981,CCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
-Luciferase Inhibition,1379,646533,c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
-Luciferase Inhibition,1379,646454,Cc1ccc2nc(-c3ccccn3)oc2c1
-Luciferase Inhibition,1379,645254,Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1ccco1
-Luciferase Inhibition,1379,624478,COc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1
-Luciferase Inhibition,1379,622877,Cc1cccc(C(=O)n2c(=S)nc3ccccn32)c1
-Luciferase Inhibition,1379,621805,CCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1
-Luciferase Inhibition,1379,620319,COc1cccc(-c2cn3nc(C)c(C)nc3n2)c1
-Luciferase Inhibition,1379,619518,c1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
-Luciferase Inhibition,1379,616082,Cc1ccc2c(c1)Cc1nc3ccccc3nc1-2
-Luciferase Inhibition,1379,614255,Cc1nc2nc(-c3ccccc3)cn2nc1C
-Luciferase Inhibition,1379,596162,O=C(COC(=O)c1cccs1)c1ccc2c(c1)OCCO2
-Luciferase Inhibition,1379,591105,O=C(Nc1ccccn1)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1379,570162,Cc1cc(NC(=O)c2ccccc2)sc1C
-Luciferase Inhibition,1379,565233,O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccco1
-Luciferase Inhibition,1379,542828,Nc1ccc2nc(-c3ccccn3)[nH]c2c1
-Luciferase Inhibition,1379,487737,COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1
-Luciferase Inhibition,1379,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,1379,424338,c1ccc2c(c1)Cn1c-2nc2ccccc21
-Luciferase Inhibition,1379,398315,CN(C)C(=O)Oc1ccc(OCc2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1379,398297,CNC(=O)Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1
-Luciferase Inhibition,1379,398293,CN(C)C(=O)Oc1ccc(-c2cn3cc(Cl)ccc3n2)cc1
-Luciferase Inhibition,1379,397075,O=c1oc2ccccc2cc1-c1cn2ccccc2n1
-Luciferase Inhibition,1379,379338,COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1
-Luciferase Inhibition,1379,379337,O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21
-Luciferase Inhibition,1379,346489,O=C(c1ccccc1)c1cc(-c2ccccc2)on1
-Luciferase Inhibition,1379,345686,COc1ccc(-c2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1379,315781,COc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1
-Luciferase Inhibition,1379,295260,COc1ccc(NC(=O)Nc2ccccc2OC)cc1
-Luciferase Inhibition,1379,285054,c1ccc2c(c1)nnn1c3ccccc3nc21
-Luciferase Inhibition,1379,252608,O=C(Nc1cc2ccccc2oc1=O)c1ccccc1
-Luciferase Inhibition,1379,249097,c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
-Luciferase Inhibition,1379,243391,c1ccc(Nc2nc3ccccc3o2)cc1
-Luciferase Inhibition,1379,206388,CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1379,162928,c1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1
-Luciferase Inhibition,1379,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1379,94525,COc1cccc2oc(-c3ccccc3)cc(=O)c12
-Luciferase Inhibition,1379,77390,COc1ccc2nc(N=Nc3ccc(N(C)C)cc3)sc2c1
-Luciferase Inhibition,1379,70821,c1ccc(-c2nc3ccccc3[nH]2)nc1
-Luciferase Inhibition,1379,67485,c1ccc2c(c1)Cc1cc3ccccc3nc1-2
-Luciferase Inhibition,1379,21041,Clc1ccc2nc(-c3ccccc3)[nH]c2c1
-Luciferase Inhibition,1379,8323,Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
-Luciferase Inhibition,1379,3194,O=c1c2ccccc2[se]n1-c1ccccc1
-Luciferase Inhibition,1379,224,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O

CHAFF_individual_AIDs/pubchem_aid_1480_active_curated.csv

@@ -1,84 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,1480,94381,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
-Autofluoresence,1480,619981,COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N
-Autofluoresence,1480,646876,O=C(c1ccco1)N1CCN(c2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)CC1
-Autofluoresence,1480,653532,CCOC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N
-Autofluoresence,1480,655772,COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
-Autofluoresence,1480,661891,CCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12
-Autofluoresence,1480,668639,O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21
-Autofluoresence,1480,669865,COc1cc(SC)ccc1C(=O)Nc1ccccc1
-Autofluoresence,1480,741765,CCN(CC)c1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
-Autofluoresence,1480,878545,CC(=O)Oc1c(/C=C(\C#N)C(N)=O)[nH]c2ccccc12
-Autofluoresence,1480,893634,COc1ccc2nc(SCc3ccccc3C)nc(C)c2c1
-Autofluoresence,1480,998226,CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N
-Autofluoresence,1480,1039936,Nc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
-Autofluoresence,1480,1262361,O=C(CNC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
-Autofluoresence,1480,1262928,Cn1c(=O)c(NCCc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,1480,1352154,Cc1ccnc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1
-Autofluoresence,1480,1527596,CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1
-Autofluoresence,1480,1796110,CCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,1480,1814043,CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1
-Autofluoresence,1480,1849672,COc1ccc(-c2cc(C#N)nc(Oc3ccc(Cl)cc3)n2)cc1
-Autofluoresence,1480,1867783,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc2ccccc2c1
-Autofluoresence,1480,1880983,CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S
-Autofluoresence,1480,1936517,CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1
-Autofluoresence,1480,1987067,CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O
-Autofluoresence,1480,1987642,Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1
-Autofluoresence,1480,1993878,CCn1c(SCc2ccccc2Cl)nc2nc3c(cc2c1=O)CCCC3
-Autofluoresence,1480,2007903,CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCN(Cc1ccccc1)C2
-Autofluoresence,1480,2135723,N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3
-Autofluoresence,1480,2152241,Cc1ccccc1CN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O
-Autofluoresence,1480,2184268,CN(CCCOc1ccccc1Br)Cc1ccccc1
-Autofluoresence,1480,2185720,CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
-Autofluoresence,1480,2200612,COCCn1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C#N)c1C
-Autofluoresence,1480,2289039,COc1ccccc1OCCOc1ccc(C(=O)c2ccccc2)cc1
-Autofluoresence,1480,2313748,CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1
-Autofluoresence,1480,2316520,O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
-Autofluoresence,1480,2393485,Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1CC(C)C
-Autofluoresence,1480,2411780,COc1cc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC
-Autofluoresence,1480,2484938,CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C
-Autofluoresence,1480,2911999,Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1
-Autofluoresence,1480,2964985,C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(NC(=O)c1ccc(OC)cc1)C(C)C
-Autofluoresence,1480,2969019,COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc1
-Autofluoresence,1480,2997868,COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21
-Autofluoresence,1480,3311028,COc1cccc(C2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC
-Autofluoresence,1480,3432011,CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O
-Autofluoresence,1480,3517787,N#CC(C#N)=C1C=C2C=C(N3CCCCC3)CCC2CC1
-Autofluoresence,1480,3596034,CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,1480,3614365,N#CC(C#N)=C1C=C2C=C(N3CCCCCC3)CCC2CC1
-Autofluoresence,1480,3798374,O=C1NC(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)N1
-Autofluoresence,1480,4076033,CCCCN(C)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,1480,4204897,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2ncccc2c1
-Autofluoresence,1480,4247764,O=C(CCCCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)NCC1CCCO1
-Autofluoresence,1480,4406525,CN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,1480,4530397,COc1ccccc1Nc1nc2nonc2nc1N1CCCCC1C
-Autofluoresence,1480,4686258,CNc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1NC
-Autofluoresence,1480,5199378,CCN(CC)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,1480,5285231,Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1
-Autofluoresence,1480,5291166,CCCCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CC)SC1=S
-Autofluoresence,1480,5333607,CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1
-Autofluoresence,1480,5337303,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
-Autofluoresence,1480,5341736,Cc1ccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1
-Autofluoresence,1480,5346216,CN(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1
-Autofluoresence,1480,5400800,CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S
-Autofluoresence,1480,5415878,CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)NC1=S
-Autofluoresence,1480,5524030,COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1/C=C/Nc1cc(C)cc(C)c1
-Autofluoresence,1480,5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
-Autofluoresence,1480,5636860,COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1
-Autofluoresence,1480,5718631,CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,1480,5761538,CCCN1C(=O)/C(=C\C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1480,5778563,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl
-Autofluoresence,1480,5791561,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1
-Autofluoresence,1480,5938244,CN(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1
-Autofluoresence,1480,6974996,CCN=C1S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC
-Autofluoresence,1480,9512005,O=C1/C(=C/c2ccc(N3CCOCC3)o2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12
-Autofluoresence,1480,9621512,CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1
-Autofluoresence,1480,9635430,COc1ccc(/C=N/Nc2cc(=O)n(C)c(=O)n2C)cc1OC
-Autofluoresence,1480,11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1480,11839287,COCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1480,11948835,CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1480,12005182,C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1480,19580261,CCn1cc(/C=c2/sc3n(c2=O)C2c4ccccc4OC(C)(N=3)C2C(=O)OC)c(C)n1
-Autofluoresence,1480,135433205,CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1
-Autofluoresence,1480,135449555,CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O
-Autofluoresence,1480,135512373,CC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(C(F)(F)F)cc2)oc1O

CHAFF_individual_AIDs/pubchem_aid_1483_active_curated.csv

@@ -1,77 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,1483,94381,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
-Autofluoresence,1483,603755,O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccccc1
-Autofluoresence,1483,619981,COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N
-Autofluoresence,1483,646876,O=C(c1ccco1)N1CCN(c2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)CC1
-Autofluoresence,1483,649115,OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc(-c3ccccc3)nn2)CC1
-Autofluoresence,1483,654291,CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1
-Autofluoresence,1483,661891,CCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12
-Autofluoresence,1483,668639,O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21
-Autofluoresence,1483,669865,COc1cc(SC)ccc1C(=O)Nc1ccccc1
-Autofluoresence,1483,741765,CCN(CC)c1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
-Autofluoresence,1483,878545,CC(=O)Oc1c(/C=C(\C#N)C(N)=O)[nH]c2ccccc12
-Autofluoresence,1483,998226,CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N
-Autofluoresence,1483,1039936,Nc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
-Autofluoresence,1483,1213138,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)CCCC3
-Autofluoresence,1483,1262361,O=C(CNC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
-Autofluoresence,1483,1262928,Cn1c(=O)c(NCCc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,1483,1294294,O=C(c1ccccc1)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1
-Autofluoresence,1483,1352154,Cc1ccnc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1
-Autofluoresence,1483,1527596,CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1
-Autofluoresence,1483,1796110,CCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,1483,1814043,CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1
-Autofluoresence,1483,1849672,COc1ccc(-c2cc(C#N)nc(Oc3ccc(Cl)cc3)n2)cc1
-Autofluoresence,1483,1867783,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc2ccccc2c1
-Autofluoresence,1483,1880983,CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S
-Autofluoresence,1483,1936517,CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1
-Autofluoresence,1483,1987067,CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O
-Autofluoresence,1483,1987642,Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1
-Autofluoresence,1483,2007903,CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCN(Cc1ccccc1)C2
-Autofluoresence,1483,2135723,N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3
-Autofluoresence,1483,2184268,CN(CCCOc1ccccc1Br)Cc1ccccc1
-Autofluoresence,1483,2185720,CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
-Autofluoresence,1483,2289039,COc1ccccc1OCCOc1ccc(C(=O)c2ccccc2)cc1
-Autofluoresence,1483,2313748,CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1
-Autofluoresence,1483,2316520,O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
-Autofluoresence,1483,2320415,CCN(CC)P(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1NC(=O)c1ccco1
-Autofluoresence,1483,2348274,CC(C)n1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21
-Autofluoresence,1483,2441441,CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
-Autofluoresence,1483,2484938,CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C
-Autofluoresence,1483,2537079,N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1
-Autofluoresence,1483,2934654,CCCN(CCC)CCOc1cc(C)ccc1C(C)C.O=C(O)C(=O)O
-Autofluoresence,1483,2964985,C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(NC(=O)c1ccc(OC)cc1)C(C)C
-Autofluoresence,1483,2997868,COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21
-Autofluoresence,1483,3432011,CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O
-Autofluoresence,1483,3517787,N#CC(C#N)=C1C=C2C=C(N3CCCCC3)CCC2CC1
-Autofluoresence,1483,3596034,CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,1483,3614365,N#CC(C#N)=C1C=C2C=C(N3CCCCCC3)CCC2CC1
-Autofluoresence,1483,4076033,CCCCN(C)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,1483,4247764,O=C(CCCCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)NCC1CCCO1
-Autofluoresence,1483,4406525,CN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,1483,4686258,CNc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1NC
-Autofluoresence,1483,5199378,CCN(CC)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,1483,5285231,Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1
-Autofluoresence,1483,5291166,CCCCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CC)SC1=S
-Autofluoresence,1483,5333607,CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1
-Autofluoresence,1483,5337303,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
-Autofluoresence,1483,5341736,Cc1ccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1
-Autofluoresence,1483,5346216,CN(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1
-Autofluoresence,1483,5400800,CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S
-Autofluoresence,1483,5415878,CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)NC1=S
-Autofluoresence,1483,5524030,COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1/C=C/Nc1cc(C)cc(C)c1
-Autofluoresence,1483,5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
-Autofluoresence,1483,5718631,CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,1483,5761538,CCCN1C(=O)/C(=C\C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1483,5778563,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl
-Autofluoresence,1483,5791561,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1
-Autofluoresence,1483,5938244,CN(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1
-Autofluoresence,1483,6974996,CCN=C1S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC
-Autofluoresence,1483,9512005,O=C1/C(=C/c2ccc(N3CCOCC3)o2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12
-Autofluoresence,1483,11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1483,11839287,COCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1483,11948835,CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1483,12005182,C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,1483,135433205,CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1
-Autofluoresence,1483,135449555,CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O
-Autofluoresence,1483,135474141,O=c1c(/C=C(\O)c2ccccc2)nc2ccccc2n1-c1ccccc1
-Autofluoresence,1483,135512373,CC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(C(F)(F)F)cc2)oc1O

CHAFF_individual_AIDs/pubchem_aid_1641_active_curated.csv

@@ -1,92 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,1641,94381,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
-Absorbance,1641,279160,O=P(O)(O)c1ccccc1OCc1ccccc1
-Absorbance,1641,619417,O=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12
-Absorbance,1641,619419,Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2
-Absorbance,1641,645450,CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1
-Absorbance,1641,653855,Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12
-Absorbance,1641,659647,COCCN(Cc1ccccc1)P(=O)(O)c1ccccc1OCC(=O)O
-Absorbance,1641,659999,O=C(Oc1ccccc1)c1c(Cl)cccc1P(=O)(O)O
-Absorbance,1641,662183,Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1
-Absorbance,1641,664033,CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1
-Absorbance,1641,665299,O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
-Absorbance,1641,665723,COc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1
-Absorbance,1641,704725,Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
-Absorbance,1641,717599,Cc1cc(NC(=O)Cc2cccs2)no1
-Absorbance,1641,737253,CN1CCN(c2ccc(N)cc2)CC1
-Absorbance,1641,744368,CN(C)CCN1CCc2ccccc21
-Absorbance,1641,756692,CC1CCN(c2ncnc3nc[nH]c23)CC1
-Absorbance,1641,891461,O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1
-Absorbance,1641,960705,Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1
-Absorbance,1641,1004085,COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1
-Absorbance,1641,1026525,COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC
-Absorbance,1641,1160447,O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1
-Absorbance,1641,1207745,O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12
-Absorbance,1641,1212122,COc1cccc(N=c2oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)c1
-Absorbance,1641,1217392,Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ncccc24)C3=O)cc1C
-Absorbance,1641,1224698,CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1
-Absorbance,1641,1234278,Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12
-Absorbance,1641,1234281,Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnc(N)c23)cc1
-Absorbance,1641,1252084,O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1
-Absorbance,1641,1254469,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1
-Absorbance,1641,1254639,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2
-Absorbance,1641,1254875,O=c1oc(-c2ccc(Br)o2)nc2ccccc12
-Absorbance,1641,1255242,Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc(C)c1Cl
-Absorbance,1641,1331726,CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
-Absorbance,1641,1356461,Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C
-Absorbance,1641,1361439,O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc2ccccc2o1
-Absorbance,1641,1371669,Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1
-Absorbance,1641,1477791,c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)cc1
-Absorbance,1641,1526406,O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
-Absorbance,1641,1926759,CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
-Absorbance,1641,1928929,Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3cccs3)ccc12
-Absorbance,1641,2092254,COc1ccccc1CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
-Absorbance,1641,2181154,O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2
-Absorbance,1641,2192323,O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1
-Absorbance,1641,2231188,Cc1ccc2nc(-c3ccc(Br)o3)oc(=O)c2c1
-Absorbance,1641,2237563,C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
-Absorbance,1641,2334575,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12
-Absorbance,1641,2347707,O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23
-Absorbance,1641,2833794,CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
-Absorbance,1641,2859793,COc1cc(N=Cc2c(O)[nH]c3ccccc23)cc(OC)c1OC
-Absorbance,1641,2859794,COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1
-Absorbance,1641,2876479,CCC1=NNc2cccc3c(OC)ccc1c23
-Absorbance,1641,2877674,O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2ccccc2oc1=O
-Absorbance,1641,2998537,CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
-Absorbance,1641,3094436,CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc(NC(C)=O)cc3)n2)cc1
-Absorbance,1641,3135549,O=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21
-Absorbance,1641,3147411,CCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1
-Absorbance,1641,3236395,COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1
-Absorbance,1641,3239295,CC(C)(C)C(=O)NC(=C(Cl)Cl)P(=O)(O)O
-Absorbance,1641,3241109,O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cc2ccccc2oc1=O
-Absorbance,1641,3243159,Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCCO2
-Absorbance,1641,3244010,CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1
-Absorbance,1641,3245548,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
-Absorbance,1641,3245753,COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1OC
-Absorbance,1641,4111713,Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
-Absorbance,1641,4454678,Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl
-Absorbance,1641,4483668,O=C(ONc1ccc(N=NC(=O)c2ccccc2O)cc1)c1ccccc1
-Absorbance,1641,4582891,COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
-Absorbance,1641,4835204,N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1
-Absorbance,1641,5281576,C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
-Absorbance,1641,5347338,O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1
-Absorbance,1641,5400198,CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
-Absorbance,1641,5405437,COC(=O)c1cccc2c1-c1ccccc1/C2=N/O
-Absorbance,1641,5690151,O=C(N/N=C1/C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1
-Absorbance,1641,5714572,O=C1Nc2ccccc2/C1=C/c1cnc[nH]1
-Absorbance,1641,5770206,Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1
-Absorbance,1641,6113170,N#C/C(C(N)=O)=C1/CCc2ccccc2N1
-Absorbance,1641,6375556,CC(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S
-Absorbance,1641,6871590,O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1
-Absorbance,1641,6874905,O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12
-Absorbance,1641,6875023,O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12
-Absorbance,1641,9550860,Cc1ccc(OC(=O)c2ccccc2P(=O)(O)O)cc1
-Absorbance,1641,9550977,COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3c4ccccc4n(C)c3c2=O)cc1
-Absorbance,1641,9551313,O=C(Oc1ccccc1Cl)c1ccccc1P(=O)(O)O
-Absorbance,1641,9564541,COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc4ccccc34)c2c1
-Absorbance,1641,9593115,O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1
-Absorbance,1641,135406072,O=C(Nc1ccccc1[N+](=O)[O-])C1=C(O)CCn2c1nc1ccccc12
-Absorbance,1641,135417544,Cc1[nH]nc(N=CC2=C(O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1
-Absorbance,1641,135432550,COc1cccc(CN2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)c1
-Absorbance,1641,135510948,CCOc1ccc(N=C2NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1
-Absorbance,1641,135512425,O=[N+]([O-])c1cc(/C=N\Nc2nccs2)ccc1O

CHAFF_individual_AIDs/pubchem_aid_1696_active_curated.csv

@@ -1,337 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,1696,366,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
-Autofluoresence,1696,3194,O=c1c2ccccc2[se]n1-c1ccccc1
-Autofluoresence,1696,5546,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
-Autofluoresence,1696,73191,CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
-Autofluoresence,1696,94381,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
-Autofluoresence,1696,98589,O=c1cccc2n1Cc1cc3ccccc3nc1-2
-Autofluoresence,1696,204149,c1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,247440,Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
-Autofluoresence,1696,262620,CCOC(=O)c1cc(C(=O)OCC)c2ccccn2c1=O
-Autofluoresence,1696,268208,CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
-Autofluoresence,1696,394328,COC(=O)c1c(C#N)c(N)nc2c1CCC2
-Autofluoresence,1696,542899,Nc1ccc(-c2nc3ccc(N)cc3o2)cc1
-Autofluoresence,1696,600284,CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1
-Autofluoresence,1696,608927,NC(=O)c1nn(-c2ccccc2)nc1N
-Autofluoresence,1696,645371,CN(C(=O)C1CCOC1)c1nnc(-c2ccncc2)s1
-Autofluoresence,1696,645384,Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1696,645576,COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
-Autofluoresence,1696,645845,CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCC2
-Autofluoresence,1696,645982,CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1
-Autofluoresence,1696,646267,CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,647177,COCC(=O)N(C)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,648205,CN(C(=O)C1CCCO1)c1nnc(-c2ccncc2)s1
-Autofluoresence,1696,649108,COc1cccc(-n2nnnc2SCC(=O)c2cc(OC)ccc2OC)c1
-Autofluoresence,1696,649519,CN(C(=O)c1ccncc1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,649542,CC(C)(C)NC(=O)CN(C(=O)C1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1
-Autofluoresence,1696,650716,CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,650758,COc1ccccc1-c1nnc(N(C)C(=O)C2CCCO2)s1
-Autofluoresence,1696,651268,COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1
-Autofluoresence,1696,651516,CN(C(=O)C1CCCO1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,651638,CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
-Autofluoresence,1696,652431,C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,652845,CN(C(=O)c1ccno1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,652906,CCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,1696,653094,CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N
-Autofluoresence,1696,653589,Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCC4)c3nc12
-Autofluoresence,1696,653603,COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N
-Autofluoresence,1696,653975,Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1696,654520,CN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1
-Autofluoresence,1696,654941,CN(C(=O)c1ccccn1)c1nnc(-c2ccccn2)s1
-Autofluoresence,1696,655586,Nc1ccc(-c2nc3c(Cl)cc(N)cc3[nH]2)cc1
-Autofluoresence,1696,656090,Cc1cc(C)c(C#N)c(SCC(=O)CC(=O)OC(C)C)n1
-Autofluoresence,1696,656359,Cc1cc(-c2nc3ncccc3o2)ccc1N
-Autofluoresence,1696,658104,COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1
-Autofluoresence,1696,658132,CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2
-Autofluoresence,1696,659045,CC(=O)c1ccc(-c2nc3ccccc3n2C)o1
-Autofluoresence,1696,659293,Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
-Autofluoresence,1696,659803,Cc1cc(C(=O)OCCO)c(C#N)c(N)n1
-Autofluoresence,1696,659804,CC1(C)Cc2nc(NCCCO)c(C#N)cc2CO1
-Autofluoresence,1696,659889,N#Cc1c(N)n(CCNC(=O)c2cccs2)c2nc3ccccc3nc12
-Autofluoresence,1696,660107,CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
-Autofluoresence,1696,660278,C=CCOC(=O)C1=C(C)NC(SCC(=O)NC(=O)OCC)=C(C#N)C1c1cccnc1
-Autofluoresence,1696,660368,CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N
-Autofluoresence,1696,660402,COc1cc(=O)n(C)c2cc(N(C)C)ccc12
-Autofluoresence,1696,660706,O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1
-Autofluoresence,1696,660841,COCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
-Autofluoresence,1696,660989,CN(C)CCNC(=O)c1coc(=O)c(Br)c1
-Autofluoresence,1696,661044,COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12
-Autofluoresence,1696,661174,CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21
-Autofluoresence,1696,661180,CC(C)c1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1696,661188,CC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1
-Autofluoresence,1696,661858,O=C1CCC(=O)N1c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
-Autofluoresence,1696,661972,Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1696,662092,COc1ccc(-c2oc3ncn4nc(COc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1
-Autofluoresence,1696,662254,O=C(NCCN1CCOCC1)c1ccc(=O)oc1
-Autofluoresence,1696,662549,CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3
-Autofluoresence,1696,662796,COCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,1696,662999,CSc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1
-Autofluoresence,1696,663388,CC(C)OCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,663438,O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1
-Autofluoresence,1696,663725,Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CC1CCCO1
-Autofluoresence,1696,663729,CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N
-Autofluoresence,1696,663780,Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)c(=N)n3CCCOC(C)C)c(=O)n2c1
-Autofluoresence,1696,664033,CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1
-Autofluoresence,1696,664254,CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21
-Autofluoresence,1696,665580,Cc1ccc2c(c1)c1ncnc(N3CCOCC3)c1n2C
-Autofluoresence,1696,665693,N#Cc1c(-c2ccco2)cc(-c2ccccn2)nc1N
-Autofluoresence,1696,665934,Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3nccs3)c(=O)n2c1
-Autofluoresence,1696,666085,COc1cc2c(cc1OC)-c1cc(OCCN3CCOCC3)nc(=O)n1CC2
-Autofluoresence,1696,666145,COc1cc2c(cc1OC)-c1cc(OCc3cccnc3)nc(=O)n1CC2
-Autofluoresence,1696,666313,CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
-Autofluoresence,1696,666640,Cc1ccc2nc3c(cc(C#N)c(=O)n3CC3CCCO3)c(=O)n2c1
-Autofluoresence,1696,666700,COC(=O)Cc1c(C)c2c(OCc3nn[nH]n3)cc(C)cc2oc1=O
-Autofluoresence,1696,666811,Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21
-Autofluoresence,1696,667394,Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)no1
-Autofluoresence,1696,673734,CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
-Autofluoresence,1696,674174,COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(OC)c1
-Autofluoresence,1696,679749,COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
-Autofluoresence,1696,687466,Nc1ccc(-c2nc3ccc(-c4nc5ccccc5o4)cc3[nH]2)cc1
-Autofluoresence,1696,696879,Cc1oc2ccccc2c1-c1cn2c(n1)SCC2
-Autofluoresence,1696,697292,Clc1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,697640,O=C(O)c1cc(-c2ccco2)nc2ccccc12
-Autofluoresence,1696,705654,O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccco1
-Autofluoresence,1696,705951,COC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O
-Autofluoresence,1696,708260,CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
-Autofluoresence,1696,718321,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccco1
-Autofluoresence,1696,725693,CN(C)S(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1
-Autofluoresence,1696,725782,CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3
-Autofluoresence,1696,728322,N#Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1
-Autofluoresence,1696,733831,CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
-Autofluoresence,1696,737853,O=C(O)c1cc2c(ccc3ccccc32)oc1=O
-Autofluoresence,1696,741270,CN1CCCc2cc(C#N)c(=O)[nH]c21
-Autofluoresence,1696,744291,N#Cc1ccccc1NC(=O)Nc1cccc(Cl)c1
-Autofluoresence,1696,747239,NC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
-Autofluoresence,1696,762544,Nc1ccc(-c2nc3c(Cl)c(N)ccc3[nH]2)cc1
-Autofluoresence,1696,763581,CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
-Autofluoresence,1696,774879,Nc1ccc2nc(-c3ccc(N)c(Cl)c3)[nH]c2c1
-Autofluoresence,1696,787569,Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)o1
-Autofluoresence,1696,827944,Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12
-Autofluoresence,1696,830763,Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cnc2ccccc2c1
-Autofluoresence,1696,848533,CCOC(=O)c1cc2cc3ccccc3cc2[nH]1
-Autofluoresence,1696,855050,CCCc1cc(=O)n2c([nH]c3ccccc32)c1C#N
-Autofluoresence,1696,879392,CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCC3)s1
-Autofluoresence,1696,892397,CN(C)CCNc1oc(-c2ccccc2F)nc1C#N
-Autofluoresence,1696,900059,CCOC(=O)c1ccc(-c2ccc(CO)o2)cc1
-Autofluoresence,1696,907545,COC(=O)Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O
-Autofluoresence,1696,928228,CC(=O)Oc1ccc2ccc(=O)oc2c1
-Autofluoresence,1696,941482,COc1ccccc1-c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
-Autofluoresence,1696,945704,CCCn1c(-c2cccs2)nc2nc3ccccc3nc21
-Autofluoresence,1696,951184,Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
-Autofluoresence,1696,973716,COC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2
-Autofluoresence,1696,974184,CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12
-Autofluoresence,1696,974686,COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
-Autofluoresence,1696,979757,CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O
-Autofluoresence,1696,1000338,CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(Cc5ccccc5C)c4)cc3n2)s1
-Autofluoresence,1696,1051383,Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C(C)C)c3nc12
-Autofluoresence,1696,1076248,C=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1
-Autofluoresence,1696,1077518,CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,1696,1183482,COC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC
-Autofluoresence,1696,1184687,Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12
-Autofluoresence,1696,1234419,CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12
-Autofluoresence,1696,1234441,CCOC(=O)c1nn(-c2ccc(F)cc2)c2nc(CC(C)C)c(C#N)c(=O)n12
-Autofluoresence,1696,1242473,CCOc1ccc(Nc2oc(-c3cccc(Cl)c3)nc2C#N)cc1
-Autofluoresence,1696,1242618,COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O
-Autofluoresence,1696,1242620,COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccccc3)cc2oc1=O
-Autofluoresence,1696,1242771,CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
-Autofluoresence,1696,1283398,CC(=O)Nc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)cc1
-Autofluoresence,1696,1284204,CCCc1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1696,1300651,COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
-Autofluoresence,1696,1322197,Cc1ccc2nc(-c3ccc(NC(=S)NCCC(C)C)cc3)sc2c1
-Autofluoresence,1696,1326324,Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1
-Autofluoresence,1696,1358093,c1ccc2cc(-c3cc4ccccn4c3)ccc2c1
-Autofluoresence,1696,1466991,COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(=O)[nH]c2cc1OC
-Autofluoresence,1696,1468210,Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1Cl
-Autofluoresence,1696,1476731,O=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
-Autofluoresence,1696,1480420,COc1ccc(-c2ccnc3c(C#N)cnn23)cc1
-Autofluoresence,1696,1480771,Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N
-Autofluoresence,1696,1483382,CNC(=O)c1ccc(-c2ccc(OC)cc2)s1
-Autofluoresence,1696,1490444,CNC(=O)c1cc2c(s1)-c1ccccc1CC2
-Autofluoresence,1696,1515332,COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C(=O)OC)C1c1ccccc1C(F)(F)F
-Autofluoresence,1696,1582613,Cc1cc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1C
-Autofluoresence,1696,1732761,C=CCNc1nc(N)c(C(=C(C#N)C#N)c2ccccc2)s1
-Autofluoresence,1696,1774193,CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2
-Autofluoresence,1696,1850575,CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N
-Autofluoresence,1696,1858288,COc1ccc2c(c1)c1ncn(CCCN3CCOCC3)c(=O)c1n2C
-Autofluoresence,1696,1888166,CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
-Autofluoresence,1696,1893664,CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21
-Autofluoresence,1696,1949028,CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
-Autofluoresence,1696,1951859,CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2
-Autofluoresence,1696,1963384,CCOC(=O)CC(=O)CSc1nc(CC)c(C)cc1C#N
-Autofluoresence,1696,1979183,N#Cc1nc(-c2cccs2)oc1NCCCN1CCOCC1
-Autofluoresence,1696,1986205,C=CCNc1oc(-c2cccs2)nc1C#N
-Autofluoresence,1696,1989400,CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3
-Autofluoresence,1696,2019433,COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3nc(C)co3)n2)cc1
-Autofluoresence,1696,2025244,COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1OC
-Autofluoresence,1696,2035623,COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O
-Autofluoresence,1696,2062261,CCOC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
-Autofluoresence,1696,2094169,O=c1cc(C(F)(F)F)c2sc(N3CCCCC3)nc2[nH]1
-Autofluoresence,1696,2106091,CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1
-Autofluoresence,1696,2146209,COc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1
-Autofluoresence,1696,2158355,COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2s1
-Autofluoresence,1696,2225369,O=C(Nc1sc2c(c1C(=O)NC1CC1)CCCCCC2)c1ccco1
-Autofluoresence,1696,2235946,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccco1
-Autofluoresence,1696,2237135,COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1OC
-Autofluoresence,1696,2238214,Cc1cc(C)c(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1C
-Autofluoresence,1696,2238995,Cc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1
-Autofluoresence,1696,2245505,COC(=O)/C(=C/Nc1cccc2ccccc12)[N+](=O)[O-]
-Autofluoresence,1696,2311082,O=P(Nc1nccs1)(c1ccccc1)c1nc2ccccc2s1
-Autofluoresence,1696,2314340,COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O
-Autofluoresence,1696,2360283,COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NCc2ccccc2)cc1OC
-Autofluoresence,1696,2408611,COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1
-Autofluoresence,1696,2423303,O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
-Autofluoresence,1696,2426546,Cc1cc(=O)n2ccccc2c1C#N
-Autofluoresence,1696,2427312,COCCn1c(N)c(C#N)c2nc3ccccc3nc21
-Autofluoresence,1696,2434862,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccco2)nc2ccccc12
-Autofluoresence,1696,2436981,CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
-Autofluoresence,1696,2764765,COC(=O)c1sc2cnccc2c1N
-Autofluoresence,1696,2766175,CC1=C(C#N)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1
-Autofluoresence,1696,2789059,CC(C)CC(C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)N1C(=O)c2ccccc2C1=O
-Autofluoresence,1696,2813126,Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12
-Autofluoresence,1696,2815279,Cc1ccc(C2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1
-Autofluoresence,1696,2837694,CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1
-Autofluoresence,1696,2863214,CC1=C(C#N)C(c2cccnc2)C2=C(CCCC2=O)N1
-Autofluoresence,1696,2864865,NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1
-Autofluoresence,1696,2891915,CC(Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1)C(=O)O
-Autofluoresence,1696,2899620,CC(C)(C)C1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1
-Autofluoresence,1696,2921310,CC1=CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccc(C)cc3)nc2N1
-Autofluoresence,1696,2930384,COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,1696,2932546,O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1
-Autofluoresence,1696,2941904,N#Cc1nc(-c2cccs2)oc1NCC1CCCO1
-Autofluoresence,1696,2963560,COc1ccc2c3c(c(=O)oc2c1OCC(N)=O)CCCC3
-Autofluoresence,1696,2997668,Cc1ccc(CN2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1
-Autofluoresence,1696,2998196,CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21
-Autofluoresence,1696,2998825,COCCn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C
-Autofluoresence,1696,2999178,Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12
-Autofluoresence,1696,2999311,CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC
-Autofluoresence,1696,2999584,O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12
-Autofluoresence,1696,3093171,O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO
-Autofluoresence,1696,3135656,Nc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6cccc(N)c6)nc5c4)ccc3o2)c1
-Autofluoresence,1696,3151386,N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1
-Autofluoresence,1696,3151460,COCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,3235801,COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1
-Autofluoresence,1696,3236092,CC1CN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)O1
-Autofluoresence,1696,3236155,COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1
-Autofluoresence,1696,3236313,CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1
-Autofluoresence,1696,3236423,Brc1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,3237311,CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12
-Autofluoresence,1696,3237391,CCOCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C
-Autofluoresence,1696,3237626,O=C(NCc1ccco1)c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4
-Autofluoresence,1696,3237877,CC(=O)c1cc2cc(O)ccc2o1
-Autofluoresence,1696,3238140,O=C(Nc1cccnc1)c1coc(=O)c2ccccc12
-Autofluoresence,1696,3238591,CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
-Autofluoresence,1696,3239161,C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,3239252,Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1
-Autofluoresence,1696,3239334,CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1
-Autofluoresence,1696,3239815,COC(=O)c1cc(=O)nc2sc(-c3cccs3)nn12
-Autofluoresence,1696,3239827,Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,3239960,COc1ccc2cc3cc(C(=O)NCC4CCCO4)oc3nc2c1
-Autofluoresence,1696,3240115,CCOC(=O)CNc1c(-c2ccc(F)cc2)nc2cnccn12
-Autofluoresence,1696,3240480,CCOCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,3240665,Fc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1
-Autofluoresence,1696,3241215,Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,3241738,O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1
-Autofluoresence,1696,3242433,COc1ccc2cc3cc(C(=O)NCCCN4CCOCC4)oc3nc2c1
-Autofluoresence,1696,3243507,COCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,3243558,COC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1
-Autofluoresence,1696,3244105,CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
-Autofluoresence,1696,3245891,Cn1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1696,3287048,COc1ccc2cc3cc(C(=O)NC(C)C)oc3nc2c1
-Autofluoresence,1696,3319881,N#Cc1c(N)n(CCOC(=O)c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12
-Autofluoresence,1696,3438088,C=CCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1
-Autofluoresence,1696,3485622,COc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1
-Autofluoresence,1696,3524797,CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1ccccc1
-Autofluoresence,1696,3618007,CCOC(=O)CN1C=C(c2ccc3ccccc3n2)C(C[N+](=O)[O-])c2ccccc21
-Autofluoresence,1696,3695752,COCc1cc(=O)[nH]c2cc(NC(=O)C(F)(F)F)c(C)cc12
-Autofluoresence,1696,3701443,N#CC1(C#N)COC23CCCCC2C1(C#N)C(=N)O3
-Autofluoresence,1696,3730240,CCCc1cc(NCC2CCCO2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1696,3749102,CCCCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1
-Autofluoresence,1696,3767566,N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1
-Autofluoresence,1696,3829432,CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2
-Autofluoresence,1696,4046983,COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O
-Autofluoresence,1696,4220651,Cc1ccc(C(=O)O)cc1N=Cc1cc(Br)cc(Br)c1O
-Autofluoresence,1696,4223974,CCC(=O)Nc1c(OC(=O)CC)ccc2c(C)cc(=O)oc12
-Autofluoresence,1696,4272091,CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1
-Autofluoresence,1696,4302841,N#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=O
-Autofluoresence,1696,4378441,O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2
-Autofluoresence,1696,4520380,CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C)CC4)n3)c(=O)oc12
-Autofluoresence,1696,4586692,CCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1OC
-Autofluoresence,1696,4875638,CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
-Autofluoresence,1696,5051223,O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1)c1cccs1
-Autofluoresence,1696,5154885,CN(CCO)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C1CCCC1
-Autofluoresence,1696,5201463,Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12
-Autofluoresence,1696,5252834,CC(C)Cn1c(-c2ccc(C#N)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C
-Autofluoresence,1696,5280567,Cc1cc(=O)oc2cc(O)ccc12
-Autofluoresence,1696,5307922,O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
-Autofluoresence,1696,5309796,CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1
-Autofluoresence,1696,5310624,Cc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O
-Autofluoresence,1696,5310805,Cc1c(CCC(=O)O)c(=O)oc2cc(O)ccc12
-Autofluoresence,1696,5322221,CC(C)CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)CC(C)C
-Autofluoresence,1696,5322315,O=c1oc2cc(O)ccc2c2c1CCCC2
-Autofluoresence,1696,5341215,CCn1c(/C=N/n2cnnc2)nc2ccccc21
-Autofluoresence,1696,5361807,Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1
-Autofluoresence,1696,5381219,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCCC2
-Autofluoresence,1696,5381220,O=c1oc2c(CN3CCCCC3)c(O)ccc2c2c1CCCC2
-Autofluoresence,1696,5388496,O=C1OCC2OC(O)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O
-Autofluoresence,1696,5389207,Cc1cc(=O)oc2c(CN3CCC(C)CC3)c(O)c(Cl)cc12
-Autofluoresence,1696,5389391,CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12
-Autofluoresence,1696,5389392,Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
-Autofluoresence,1696,5389480,Cc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
-Autofluoresence,1696,5389495,CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
-Autofluoresence,1696,5389516,Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCC3
-Autofluoresence,1696,5389553,CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
-Autofluoresence,1696,5389715,Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br
-Autofluoresence,1696,5389744,COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1
-Autofluoresence,1696,5389856,COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
-Autofluoresence,1696,5389927,Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCCC3
-Autofluoresence,1696,5390004,CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O
-Autofluoresence,1696,5390049,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCC2
-Autofluoresence,1696,5390070,COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O
-Autofluoresence,1696,5390086,CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
-Autofluoresence,1696,5398457,Cc1cc(=O)oc2c(CN(CC(C)C)CC(C)C)c(O)ccc12
-Autofluoresence,1696,5398663,O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O
-Autofluoresence,1696,5421461,CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O
-Autofluoresence,1696,5422067,CN(C)Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3
-Autofluoresence,1696,5423063,CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
-Autofluoresence,1696,5429720,Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C)c(O)c(Cl)cc12
-Autofluoresence,1696,5497677,O=c1oc2cc(O)ccc2cc1-c1ccc(F)cc1
-Autofluoresence,1696,5513690,COC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12
-Autofluoresence,1696,5541651,CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
-Autofluoresence,1696,5553318,CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
-Autofluoresence,1696,5622697,CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
-Autofluoresence,1696,5726945,CC(=O)c1ccc(/C=C/c2nc3ccccc3n2C)o1
-Autofluoresence,1696,5739885,Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
-Autofluoresence,1696,5739939,CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
-Autofluoresence,1696,5740001,CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O
-Autofluoresence,1696,5892724,COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCC(C)C3)c2oc1=O
-Autofluoresence,1696,5939237,CN(C)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3
-Autofluoresence,1696,6051703,C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C
-Autofluoresence,1696,6858403,CSc1ccc(/C=N/n2nnnc2N)cc1
-Autofluoresence,1696,6858809,Cn1c(/C=N/n2cnnc2)nc2ccccc21
-Autofluoresence,1696,6890120,Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2/N=C/c1ccccc1
-Autofluoresence,1696,7551758,CCCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc-2c1=O
-Autofluoresence,1696,9550098,CN(C)CCNC(=O)c1cc2c(s1)-c1ccccc1OC2
-Autofluoresence,1696,9550488,CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1C
-Autofluoresence,1696,9550767,Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1
-Autofluoresence,1696,9551157,CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
-Autofluoresence,1696,9564144,COc1ccc(/C=N/NC(=O)Nc2cccc3nsnc23)c(OC)c1
-Autofluoresence,1696,9566641,COc1cc(-c2nc3ccccn3c2/N=C/c2cc(OC)c(OC)c(OC)c2)ccc1O
-Autofluoresence,1696,9566665,COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2)ccc1O
-Autofluoresence,1696,9636377,COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1
-Autofluoresence,1696,11841561,COc1ccc(C2NC(=O)c3sc4nc(C)c(C(C)=O)c(-c5ccc(Cl)cc5)c4c3N2)cc1
-Autofluoresence,1696,12315418,CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1
-Autofluoresence,1696,16187414,CN(C)c1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
-Autofluoresence,1696,16196274,COc1ccc(-c2cc(=NCCC(=O)O)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])O
-Autofluoresence,1696,24747858,Cc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
-Autofluoresence,1696,24747882,COc1ccc(C#Cc2c(-c3ccc(OC)cc3)oc3ccc(-c4ccc(OC)cc4)cc23)cc1
-Autofluoresence,1696,24747925,COc1ccc(C#Cc2c(-c3ccc(OC)cc3)oc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1
-Autofluoresence,1696,24747926,COc1ccc(C#Cc2c(-c3ccsc3)oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1
-Autofluoresence,1696,135421655,COc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1
-Autofluoresence,1696,135433200,COc1cccc(/C=C/c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
-Autofluoresence,1696,135449503,Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccccn12
-Autofluoresence,1696,135456842,COc1ccccc1N=c1oc2cc(O)ccc2cc1C(N)=O
-Autofluoresence,1696,135473386,CCCCCCc1cc2cc(-c3nnc(-c4ccccc4OC)o3)c(=O)oc2cc1O
-Autofluoresence,1696,135512371,CCOc1ccccc1OCC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl
-Autofluoresence,1696,135512440,Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)c1
-Autofluoresence,1696,135520016,CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3O)ccc21
-Autofluoresence,1696,135521557,COc1cccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)c1O

CHAFF_individual_AIDs/pubchem_aid_1730_active_curated.csv

@@ -1,11 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,1730,2396,CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
-Absorbance,1730,5004,O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21
-Absorbance,1730,6706,CNc1cccc2c1C(=O)c1ccccc1C2=O
-Absorbance,1730,338839,COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=S)N2C)cc1
-Absorbance,1730,657699,N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2
-Absorbance,1730,1328059,CN(C)c1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1
-Absorbance,1730,1895486,CC1(C)OC(c2ccccc2)=C/C(=C/C=C2C(=O)c3ccccc3C2=O)O1
-Absorbance,1730,2890949,O=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1
-Absorbance,1730,3124665,CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S
-Absorbance,1730,5720241,CC(/C=C/c1ccccc1)=N\Nc1ccccc1[N+](=O)[O-]

CHAFF_individual_AIDs/pubchem_aid_1775_active_curated.csv

@@ -1,810 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,1775,135517127,Oc1c(Br)cc(Br)cc1/C=N/N1CCN(Cc2ccccc2)CC1
-Autofluoresence,1775,135513636,COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)ccc1O
-Autofluoresence,1775,135501977,COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2c(C)[nH]c3ccccc23)cc1
-Autofluoresence,1775,135498480,O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cl)cn1
-Autofluoresence,1775,135491188,CC(=O)Nc1nc(C)c(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1
-Autofluoresence,1775,135490321,O=C(O)c1ccc2c(=O)[nH]c(CN3CCOCC3)nc2c1
-Autofluoresence,1775,135483402,CN(C)C(=O)CSc1nc2ccccc2c(=O)[nH]1
-Autofluoresence,1775,135476817,COc1ccccc1N1CCN(C(=O)CSc2nc(N)cc(=O)[nH]2)CC1
-Autofluoresence,1775,135475120,CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1
-Autofluoresence,1775,135465169,Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc12
-Autofluoresence,1775,135463745,COc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1
-Autofluoresence,1775,135463214,C/C(O)=c1/ccc2cccc3nc(C)nc1c23
-Autofluoresence,1775,135460576,COc1cc(/C=C2\C(=O)N(c3ccc(NC(C)=O)cc3)N=C2c2ccccc2)ccc1O
-Autofluoresence,1775,135450473,O=c1[nH]c(=S)n(Cc2ccc(F)cc2)c(O)c1/C=N/N1CCCCC1
-Autofluoresence,1775,135449229,C=CCSc1nc(C)c(CC(=O)OCC(C)C)c(=O)[nH]1
-Autofluoresence,1775,135442530,Nc1cc(=O)[nH]c(SCc2ccc(Cl)cc2)n1
-Autofluoresence,1775,135432777,Cc1ccccc1-n1c(O)c(/C=N/N2CCOCC2)c(=O)[nH]c1=S
-Autofluoresence,1775,135427538,Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(Cl)cc2Cl)n1
-Autofluoresence,1775,135417046,CCCCN1CC(O)=C(c2nc3ccccc3s2)C1=N
-Autofluoresence,1775,135415561,COc1ccc(C2=C(O)C(C)N(c3ccccc3)C2=N)cc1OC
-Autofluoresence,1775,135415420,COC(=O)c1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1
-Autofluoresence,1775,135413742,COc1ccccc1N1CCN(C(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)CC1
-Autofluoresence,1775,135412529,O=C(NCCN=C1NS(=O)(=O)c2ccccc21)c1ccncc1
-Autofluoresence,1775,135408857,CCC1(CC)C(=O)N(C)C(=O)NC1=NC
-Autofluoresence,1775,135407994,CCOC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
-Autofluoresence,1775,135406112,CCC1(CC)C(=O)NC(=O)NC1=NCCc1ccc(O)cc1
-Autofluoresence,1775,135401674,CCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC
-Autofluoresence,1775,54678960,CCCn1c2c(c(O)c(C(=O)NCc3ccccc3)c1=O)CCCC2
-Autofluoresence,1775,54677749,CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
-Autofluoresence,1775,16682419,CS/C(N)=N/S(=O)(=O)c1ccc(NC(C)=O)cc1
-Autofluoresence,1775,16196925,Cc1ccc2nc(-c3ccc(NC(=O)CNC4CC4)cc3)sc2c1.O=C(O)C(=O)O
-Autofluoresence,1775,16196492,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccccc1
-Autofluoresence,1775,16195477,Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1C
-Autofluoresence,1775,16195458,O=C1Nc2ccccc2N(O)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
-Autofluoresence,1775,16195353,COc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1.O=C(O)C(=O)O
-Autofluoresence,1775,16195146,O=C(O)/C=C\c1ccccc1Oc1ccc(F)cc1
-Autofluoresence,1775,16194551,O=C(NCc1cccnc1)C(=O)NCC1OCCN1S(=O)(=O)c1cc(F)ccc1F
-Autofluoresence,1775,16191857,CC(=O)NCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1
-Autofluoresence,1775,16191726,O=C(CCC1CCCN(C(=O)c2cncs2)C1)NCc1ccc(F)c(F)c1
-Autofluoresence,1775,16190686,CC(C)N1CCC(N2CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2CCO)CC1
-Autofluoresence,1775,16190322,OCCC1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1C1CCCCC1
-Autofluoresence,1775,16190069,Cc1c(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1775,16189818,COCC1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2
-Autofluoresence,1775,16188820,CC(C)N1CCN(Cc2cccn2-c2nccs2)CC1CCO
-Autofluoresence,1775,16001188,COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12
-Autofluoresence,1775,15945241,CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1c(F)cccc1F.O=C(O)C(=O)O
-Autofluoresence,1775,15945043,O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
-Autofluoresence,1775,15944784,Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
-Autofluoresence,1775,12005161,COc1ccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCO3)cc1
-Autofluoresence,1775,12004541,CC1=CC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N2O1
-Autofluoresence,1775,11958841,OC(Cn1c2ccccc2c2ccccc21)C[n+]1cccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
-Autofluoresence,1775,11958696,CCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC
-Autofluoresence,1775,11958689,CCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC
-Autofluoresence,1775,11958565,COc1ccccc1CNC(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1
-Autofluoresence,1775,11958457,CCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1
-Autofluoresence,1775,11957264,CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccs1
-Autofluoresence,1775,11957183,O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCN(Cc2ccccc2)CC1
-Autofluoresence,1775,11957178,O=C(NC1CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2
-Autofluoresence,1775,11841861,CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
-Autofluoresence,1775,11839287,COCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1775,11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1775,11837006,COCCn1c(C)cc(/C=C2/SC(=O)N(C(C)C(=O)OC)C2=O)c1C
-Autofluoresence,1775,10864994,CCN1/C(=C/C=C/c2oc3ccc(-c4ccccc4)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21.CCOS(=O)(=O)[O-]
-Autofluoresence,1775,9655865,CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3ccc(-n4ccnc4)cc3)cc2)cc1
-Autofluoresence,1775,9649675,COc1ccc(Br)cc1/C=N/Nc1cccc(C(=O)O)c1
-Autofluoresence,1775,9644617,Cc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)n1-c1ccccc1
-Autofluoresence,1775,9628196,COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
-Autofluoresence,1775,9620800,CC(=O)N/N=C(\C)c1ccc(Br)cc1Br
-Autofluoresence,1775,9599835,O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
-Autofluoresence,1775,9595403,COc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1
-Autofluoresence,1775,9568134,O=S(=O)(CCc1ccccc1)/N=C/c1cccs1
-Autofluoresence,1775,9560224,N#Cc1ccc(/C=N/N=C(N)N)cc1
-Autofluoresence,1775,9557777,Cc1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)o1
-Autofluoresence,1775,9556644,CCOC(=O)/C(C#N)=N/Nc1ccccc1C#N
-Autofluoresence,1775,9551969,CC(C)CC(=O)Nc1cccc(C(C)O)c1
-Autofluoresence,1775,9551645,Cc1ccccc1CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1
-Autofluoresence,1775,9551611,CC(Cc1ccccc1)[n+]1cc(/N=C(\[O-])Nc2ccccc2)on1
-Autofluoresence,1775,9551455,COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCc3c[nH]c4ccccc34)c(=O)c2cc1OC
-Autofluoresence,1775,9551442,Cc1ccc(S(=O)(=O)Nc2nc(C)c(NC(=O)OCCCl)s2)cc1
-Autofluoresence,1775,9551426,CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2[nH]c1=O
-Autofluoresence,1775,9551408,CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OCC)cc2)o1
-Autofluoresence,1775,9551242,COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3)nc3cccnc32)cc1
-Autofluoresence,1775,9551202,Cc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)C(=O)NCc1ccco1
-Autofluoresence,1775,9551195,Cc1ccc2cc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)sc3nc2c1
-Autofluoresence,1775,9550892,Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc2ccccc2c1
-Autofluoresence,1775,9550831,COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC
-Autofluoresence,1775,9550755,O=C(CN1CCN(Cc2ccccc2F)C1=O)NCCc1ccc(Cl)cc1
-Autofluoresence,1775,9550706,CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NC(C)CC)c1C
-Autofluoresence,1775,9550599,O=C(COc1ccc2ccccc2c1)N1CCN(CC2CC3C=CC2C3)CC1.O=C(O)C(=O)O
-Autofluoresence,1775,9550514,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCC3=CCCCC3)ccc2N1
-Autofluoresence,1775,9549427,CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccco2)c1
-Autofluoresence,1775,9526049,O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
-Autofluoresence,1775,7207292,Fc1cccc(Cl)c1CSc1ccc(-c2ccco2)nn1
-Autofluoresence,1775,7196632,Cc1nnc(SCC(=O)Nc2ccccc2)n(N)c1=O
-Autofluoresence,1775,7183662,CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1
-Autofluoresence,1775,7117780,O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCCc2ccccc21
-Autofluoresence,1775,7110093,CCOC(=O)c1sc(Nc2nc3cc4c(cc3s2)OCO4)cc1C
-Autofluoresence,1775,7043393,COCCn1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc21
-Autofluoresence,1775,6904122,Fc1ccc(NC(=S)N/N=C/c2ccc(F)c(F)c2)cc1
-Autofluoresence,1775,6899097,O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccnc1
-Autofluoresence,1775,6892997,COC(=O)c1ccc(/C=N/OCC(=O)NCc2ccc(F)cc2)cc1
-Autofluoresence,1775,6892904,O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O
-Autofluoresence,1775,6889520,COc1ccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC
-Autofluoresence,1775,6886332,Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
-Autofluoresence,1775,6883030,O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cncc(Br)c1
-Autofluoresence,1775,6877126,Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1
-Autofluoresence,1775,6873231,Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1C
-Autofluoresence,1775,6872049,Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1
-Autofluoresence,1775,6871590,O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1
-Autofluoresence,1775,6869728,Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1
-Autofluoresence,1775,6622065,CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1
-Autofluoresence,1775,6621521,CC1CCCC(NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1C
-Autofluoresence,1775,6619408,CCc1ccccc1NC(=O)Cn1cccc1C1=NC(c2ccccc2)CO1
-Autofluoresence,1775,6376128,Cc1ccc(S(=O)(=O)/N=C(/NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1
-Autofluoresence,1775,6140586,O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccccc1
-Autofluoresence,1775,6110527,Cc1noc(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-]
-Autofluoresence,1775,6103405,O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccccc1
-Autofluoresence,1775,6096216,Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1O
-Autofluoresence,1775,6063275,CCOC(=O)C1CCCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1
-Autofluoresence,1775,6047829,Cc1ccc(C2=N/C(=C\N3CCCCC3)C(=O)O2)cc1
-Autofluoresence,1775,6032129,CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC
-Autofluoresence,1775,5938988,COc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1
-Autofluoresence,1775,5931186,CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1
-Autofluoresence,1775,5919925,O=C(/C=C/Nc1ccccc1)c1cnc(-c2ccccc2)s1
-Autofluoresence,1775,5916190,CSC1=NC(=O)/C(=C\c2cccc3ccccc23)S1
-Autofluoresence,1775,5879932,COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
-Autofluoresence,1775,5815929,O=C1NC(=O)N(CC2CCCO2)C(=O)/C1=C/c1cccs1
-Autofluoresence,1775,5791598,CN(C)c1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]
-Autofluoresence,1775,5786464,O=C1CC(/C=C/c2ccncc2)=Nc2ccccc2N1
-Autofluoresence,1775,5771719,CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CC4CCCO4)C3c3ccco3)ccc2O1
-Autofluoresence,1775,5769011,Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)C2c2cccnc2)c1
-Autofluoresence,1775,5766643,COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccccc1F
-Autofluoresence,1775,5737793,CCN1C(=O)S/C(=C/c2ccsc2)C1=O
-Autofluoresence,1775,5735462,O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1CCCO
-Autofluoresence,1775,5735336,CC1CCCC(C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/O
-Autofluoresence,1775,5730275,O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1
-Autofluoresence,1775,5730194,C=CCSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2
-Autofluoresence,1775,5729990,CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,1775,5727752,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1
-Autofluoresence,1775,5718631,CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,1775,5678341,CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C
-Autofluoresence,1775,5568908,CN1/C(=C\C=C2/C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc21
-Autofluoresence,1775,5556791,NC(=O)SC/C(=N\S(=O)(=O)c1ccccc1)Nc1ccccc1
-Autofluoresence,1775,5525151,COc1ccc(-c2c(Oc3ccc(F)cc3)c3ccc(OC)cc3[s+]2[O-])cc1
-Autofluoresence,1775,5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
-Autofluoresence,1775,5447485,COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccco1
-Autofluoresence,1775,5412237,Cc1c(/C=N\NC(=O)c2csc3ccccc23)cnn1C
-Autofluoresence,1775,5405328,CCOC(=O)/C(C#N)=C(C)/C=C1\Sc2ccccc2N1CC
-Autofluoresence,1775,5399122,O=C(O)/C=C/c1ccccc1Oc1ccccc1
-Autofluoresence,1775,5389427,CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1
-Autofluoresence,1775,5389343,N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1Nc2ccccc2N1
-Autofluoresence,1775,5349664,CC1(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)OCCO1
-Autofluoresence,1775,5343224,N/C(=N\OC(=O)c1ccco1)c1ccc(Cl)cc1
-Autofluoresence,1775,5337303,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
-Autofluoresence,1775,5333439,COc1cc(OC)c(OC)cc1/C=N/N(C)c1ccccc1
-Autofluoresence,1775,5332740,N/C(=N\OC(=O)c1cccs1)c1ccccc1
-Autofluoresence,1775,5331295,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1
-Autofluoresence,1775,5309049,CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2c3ccccc3CC2C)CC1
-Autofluoresence,1775,5308637,CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1
-Autofluoresence,1775,5308261,O=C1C2CCCN2C(c2cccc(Br)c2)N1c1ccc(F)cc1
-Autofluoresence,1775,5307596,CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12
-Autofluoresence,1775,5285231,Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1
-Autofluoresence,1775,5217873,COc1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)ccc1OCc1c(C)noc1C
-Autofluoresence,1775,5207778,O=C(Nc1ccc(-n2ccnc2P(=O)(O)c2ccccc2)cc1)c1ccccc1Br
-Autofluoresence,1775,5206473,CCOC(=O)N1CCN(c2cc(NCCO)c([N+](=O)[O-])c3nonc23)CC1
-Autofluoresence,1775,5204148,COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12
-Autofluoresence,1775,5180935,Cn1nc(-c2ccccc2)c(C(O)c2ccc(Cl)cc2)c1Cl
-Autofluoresence,1775,5170674,CCN(CC)C(=O)C(=O)c1cccn1-c1c(Cl)cccc1C#N
-Autofluoresence,1775,5158719,CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OCC(C)C)C3C1=O
-Autofluoresence,1775,5133986,N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2
-Autofluoresence,1775,5114200,CNC(=S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(Br)cc1
-Autofluoresence,1775,5084007,COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1
-Autofluoresence,1775,5073725,C=CCNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1
-Autofluoresence,1775,5053070,COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1
-Autofluoresence,1775,5026453,Cn1ncc2c(=O)n(CC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21
-Autofluoresence,1775,4992784,CC(C)CSc1ccc(S(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-]
-Autofluoresence,1775,4966967,COc1ccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)cc1
-Autofluoresence,1775,4918879,Cc1cc(NC(=O)C(=O)c2cn(C)c3ccccc23)no1
-Autofluoresence,1775,4915939,CCCC(=O)NCn1nnc(-c2ccc(Cl)cc2)n1
-Autofluoresence,1775,4898467,Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)cc(=O)c2c1
-Autofluoresence,1775,4891709,CCn1c(C)cc2c(c1=O)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2
-Autofluoresence,1775,4882078,CC(Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N1CCc2ccccc21
-Autofluoresence,1775,4880562,Cc1ccc(NC(=O)CCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1
-Autofluoresence,1775,4879549,O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
-Autofluoresence,1775,4879008,O=C1CSc2ccc(C(=O)NCC(c3ccco3)N3CCCCC3)cc2N1
-Autofluoresence,1775,4877444,O=C(C1CCCO1)N1CCN(Cc2c(O)ccc3ccccc23)CC1
-Autofluoresence,1775,4877048,COc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc(OC)c1OC
-Autofluoresence,1775,4872193,O=c1[nH]c(=O)n(CCC2=CCCCC2)c(O)c1C=Nc1cccc(F)c1
-Autofluoresence,1775,4833601,CCOc1ccccc1N1CC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O
-Autofluoresence,1775,4594275,Cc1ccc(SCc2nc3ncccn3c2Br)cc1
-Autofluoresence,1775,4574636,CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
-Autofluoresence,1775,4570071,Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2ccccn2)n1
-Autofluoresence,1775,4562984,OC(CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1
-Autofluoresence,1775,4553140,CC(C)Cn1cnc2c1c(=O)n(CC(O)c1ccccc1)c(=O)n2CC(C)C
-Autofluoresence,1775,4548089,CCOCCCNCc1c(Cl)cccc1Cl
-Autofluoresence,1775,4537953,O=C(NC1CCS(=O)(=O)C1)C1C2CC3CC(C2)CC1C3
-Autofluoresence,1775,4516609,COc1cccc(-n2c(C)nc3cc(C(=O)O)ccc32)c1
-Autofluoresence,1775,4478117,Cc1cccc(OCC(=O)N2CCOCC2)c1
-Autofluoresence,1775,4473031,CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)cc2)cc1
-Autofluoresence,1775,4456389,O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccccc1
-Autofluoresence,1775,4410488,Cc1cc(C(F)F)nn1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12
-Autofluoresence,1775,4404336,Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NN)c12
-Autofluoresence,1775,4338124,CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCc3ccccc32)c1
-Autofluoresence,1775,4316111,O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
-Autofluoresence,1775,4302841,N#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=O
-Autofluoresence,1775,4248985,Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2N2CCOCC2)n(C)c1=O
-Autofluoresence,1775,4245778,COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)C(C(N)=O)C(C)C)cc1
-Autofluoresence,1775,4219373,COc1ccc(CNC(=O)CCSCc2cccc(Cl)c2)cc1
-Autofluoresence,1775,4195993,COc1ccc(C2C(C#N)=C(N)Oc3c2sc2nc(C)cc(C)c32)cc1
-Autofluoresence,1775,4104826,O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)CC1(O)C(F)F
-Autofluoresence,1775,4094173,Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1
-Autofluoresence,1775,4086404,Cc1ccc(CSCCC(=O)NCCc2ccc(Cl)cc2)cc1
-Autofluoresence,1775,4076815,COCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3c(c2)OCCO3)C1c1ccc(F)cc1
-Autofluoresence,1775,4076033,CCCCN(C)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,1775,4075582,CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCOc2ccccc2)c1
-Autofluoresence,1775,4070731,Cc1[nH]c2ccccc2c1C(c1ccncc1)N1CCN(c2ccccc2F)CC1
-Autofluoresence,1775,4057009,COc1ccc(CNC(=O)C2CSC(c3ccc(OC)cc3)N2C(C)=O)cc1
-Autofluoresence,1775,4025567,O=C(Oc1ccc(Br)cc1)c1cncc(Br)c1
-Autofluoresence,1775,4005784,Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)no1
-Autofluoresence,1775,3998971,COc1ccc(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCCCC1
-Autofluoresence,1775,3974418,COc1ccc(NC(=O)CCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
-Autofluoresence,1775,3970919,CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccco1
-Autofluoresence,1775,3944840,COCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
-Autofluoresence,1775,3923766,COc1c(N2CCN(C(=S)NCc3ccccc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
-Autofluoresence,1775,3913914,COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
-Autofluoresence,1775,3886884,COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)Nc1cccc(C)c1
-Autofluoresence,1775,3767936,COC(=O)C(O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F
-Autofluoresence,1775,3758870,CN(C)S(=O)(=O)Oc1ccccc1C(=O)Nc1ccccc1Cl
-Autofluoresence,1775,3640413,Cc1ccc(C(O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1
-Autofluoresence,1775,3621326,O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1
-Autofluoresence,1775,3594849,Cc1ccc(CS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[N+](=O)[O-])cc1
-Autofluoresence,1775,3589929,COc1ccc2ccccc2c1CN1CCCC(CO)C1
-Autofluoresence,1775,3578004,CC(=O)Nc1ccc(NC(=O)c2cccc3c2-c2ccccc2C3=O)cc1
-Autofluoresence,1775,3534203,CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)CC
-Autofluoresence,1775,3518600,COc1ccc(-c2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1
-Autofluoresence,1775,3517787,N#CC(C#N)=C1C=C2C=C(N3CCCCC3)CCC2CC1
-Autofluoresence,1775,3492257,CC1CCc2c(c3ccccc3[nH]c2=O)O1
-Autofluoresence,1775,3484268,COP(=O)(NC(=O)C(Cl)(Cl)Cl)OC
-Autofluoresence,1775,3402344,NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)ccc1Cl
-Autofluoresence,1775,3356641,CCCCCCOc1ccc(N2C(=O)CC(N3CCN(CCN=CC4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1
-Autofluoresence,1775,3349585,CCc1cccc(CC)c1NC(=O)COC(=O)CC1c2ccccc2CCN1S(=O)(=O)c1ccccc1
-Autofluoresence,1775,3345423,CCOc1ccc(C(CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC
-Autofluoresence,1775,3318525,COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)cc1
-Autofluoresence,1775,3285260,Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1
-Autofluoresence,1775,3245905,Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1
-Autofluoresence,1775,3245775,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2
-Autofluoresence,1775,3245763,COC(=O)c1sc2ccccc2c1C(=O)OC
-Autofluoresence,1775,3245646,O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O)N1CCOCC1
-Autofluoresence,1775,3245598,COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)C)CC1
-Autofluoresence,1775,3245554,N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccs1
-Autofluoresence,1775,3245396,O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCC(Cc2ccccc2)CC1
-Autofluoresence,1775,3245245,COc1ccc(C2C(C(=O)NC(C)C)c3ccccc3C(=O)N2C)cc1OC
-Autofluoresence,1775,3244679,FC(F)Oc1ccccc1C1CC(c2ccc(Br)s2)Nc2ncnn21
-Autofluoresence,1775,3244421,CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(OC(F)F)c(OC)c1
-Autofluoresence,1775,3244419,Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
-Autofluoresence,1775,3244160,COc1cc2[nH]c(=O)n(CCC(=O)NC3CCCC3)c(=O)c2cc1OC
-Autofluoresence,1775,3244054,O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCN(Cc2ccccc2)CC1
-Autofluoresence,1775,3243790,COc1ccccc1-c1cc(C(=O)NCc2ccccc2)no1
-Autofluoresence,1775,3243784,Cc1nn(C(C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3occc3n12
-Autofluoresence,1775,3243376,COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1
-Autofluoresence,1775,3243363,CN(c1ccccc1)c1nc2ccsc2c(=O)s1
-Autofluoresence,1775,3243331,CCn1c(=O)n(CC(=O)NC2CCCC(C)C2C)c(=O)c2ccccc21
-Autofluoresence,1775,3243277,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2F)c1C
-Autofluoresence,1775,3243211,CCOC(=O)N1CCC(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)CC1
-Autofluoresence,1775,3242966,CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1
-Autofluoresence,1775,3242860,COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)n4)sc3n2)cc1
-Autofluoresence,1775,3242772,C=CCNS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12
-Autofluoresence,1775,3242690,COc1ccc(C(CC(=O)Nc2nccs2)n2cccc2)cc1
-Autofluoresence,1775,3242668,CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NC3CC3)cc21
-Autofluoresence,1775,3241810,COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1
-Autofluoresence,1775,3241806,COc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1
-Autofluoresence,1775,3241530,O=C(NCCN1CCN(Cc2ccccc2)CC1)C1c2ccccc2C(=O)N2CCc3ccccc3C12
-Autofluoresence,1775,3241527,CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C2CCCC2)CC1
-Autofluoresence,1775,3241392,COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1
-Autofluoresence,1775,3241194,Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2
-Autofluoresence,1775,3241124,CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1
-Autofluoresence,1775,3241034,CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SC(C)C2
-Autofluoresence,1775,3240878,O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(C2CCCC2)CC1
-Autofluoresence,1775,3240668,CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)cc1N
-Autofluoresence,1775,3240228,O=C1NC(=O)C(CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1
-Autofluoresence,1775,3240044,COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c1
-Autofluoresence,1775,3239058,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1C
-Autofluoresence,1775,3238722,CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O
-Autofluoresence,1775,3238681,Cc1cc(C)n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2n1
-Autofluoresence,1775,3238439,O=C(NCc1ccco1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
-Autofluoresence,1775,3238354,CCOC(=O)CCC(=O)NCc1ccc2c(c1)cc(C)n2C
-Autofluoresence,1775,3237981,CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1
-Autofluoresence,1775,3237938,COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
-Autofluoresence,1775,3237728,CCOC(=O)N1CCC(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1
-Autofluoresence,1775,3237672,Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c1C
-Autofluoresence,1775,3237523,CCCCN(C)C(=O)Cn1cnc2sc(C)cc2c1=O
-Autofluoresence,1775,3237331,C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21
-Autofluoresence,1775,3237291,O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1
-Autofluoresence,1775,3237255,O=C(NCCCN1CCCC1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
-Autofluoresence,1775,3237209,CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(C)cc2)c1=O
-Autofluoresence,1775,3237140,COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1
-Autofluoresence,1775,3236785,O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1
-Autofluoresence,1775,3236783,CN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1
-Autofluoresence,1775,3236744,O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(Cl)cc1
-Autofluoresence,1775,3236653,O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1
-Autofluoresence,1775,3236576,COCCN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1c[nH]c2ccccc12
-Autofluoresence,1775,3236354,COc1cc2c(cc1OC)C(C(=O)NCc1cccnc1)C(c1cccnc1)N(C)C2=O
-Autofluoresence,1775,3236073,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21
-Autofluoresence,1775,3235814,O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccccc1
-Autofluoresence,1775,3235585,COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1
-Autofluoresence,1775,3230905,COc1cc(NC(=O)CN2C3CCC2CC(O)(c2cccnc2)C3)cc(OC)c1
-Autofluoresence,1775,3222704,O=C(Nc1cccc(Cl)c1)NC1(C(=O)NCc2cccs2)CCCCC1
-Autofluoresence,1775,3212221,COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1
-Autofluoresence,1775,3178777,CCCC(C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2
-Autofluoresence,1775,3174424,Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)o1
-Autofluoresence,1775,3165186,CC1CCc2c(sc(NC(=O)c3ccccc3C(=O)O)c2C#N)C1
-Autofluoresence,1775,3160486,CN1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1
-Autofluoresence,1775,3158563,CCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
-Autofluoresence,1775,3156585,COc1ccc(N2C(=O)C3CCCN3C2=O)cc1
-Autofluoresence,1775,3152214,COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1
-Autofluoresence,1775,3150904,C=CCN1C(=O)C2(NC(=O)c3ccccc3N2)c2ccccc21
-Autofluoresence,1775,3149567,CCN=C1SC(CC(=O)NCC)C(=O)N1CC
-Autofluoresence,1775,3146698,O=C(Nc1cccc2ccccc12)NC1CCS(=O)(=O)C1
-Autofluoresence,1775,3143966,CCN(CC)CCCNC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2
-Autofluoresence,1775,3132817,O=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCOCC1
-Autofluoresence,1775,3130478,O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
-Autofluoresence,1775,3121367,CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
-Autofluoresence,1775,3109346,NC(=O)c1ccc(N=Nc2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1
-Autofluoresence,1775,3107550,CCCNc1[nH]c(=O)n(C)c(=O)c1N=O
-Autofluoresence,1775,3106249,Cc1cc([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1
-Autofluoresence,1775,3105132,CC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
-Autofluoresence,1775,3101693,COc1ccccc1NC(=O)NCCCl
-Autofluoresence,1775,2999769,COc1cc(C(=O)NCCc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCOCC1
-Autofluoresence,1775,2999656,Cc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12
-Autofluoresence,1775,2999277,CN(C)P(=NC(=S)c1cccn1C)(N(C)C)N(C)C
-Autofluoresence,1775,2999247,CCOC(=O)C1CCCN(C(=O)COC(=O)C2=COCCO2)C1
-Autofluoresence,1775,2999172,Cc1nc2ccccn2c1-c1nnco1
-Autofluoresence,1775,2998659,O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1
-Autofluoresence,1775,2998422,C=C(C)c1cccc(C(C)(C)NC(=O)NCCCn2ccnc2)c1
-Autofluoresence,1775,2998171,O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCS(=O)(=O)C1
-Autofluoresence,1775,2998012,COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1
-Autofluoresence,1775,2997902,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cc(C)on1
-Autofluoresence,1775,2997849,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
-Autofluoresence,1775,2982734,COc1cc2c(cc1OC)C(c1ccncc1)CC(=O)N2
-Autofluoresence,1775,2979481,O=C(COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1
-Autofluoresence,1775,2970764,Cc1cc(C(=O)NC2CCCc3ccccc32)no1
-Autofluoresence,1775,2969182,COC(=O)C1=C(C)NC(=O)C1(NC(=O)CN1CCCC1=O)C(F)(F)F
-Autofluoresence,1775,2964893,CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1
-Autofluoresence,1775,2964268,CCC1(CC)Cc2ccccc2C(N)=C1C#N
-Autofluoresence,1775,2963620,COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1C)oc1ccccc12
-Autofluoresence,1775,2963128,CCOC(=O)C1CCCN(C(=O)c2ccccc2SCCOC)C1
-Autofluoresence,1775,2962056,CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1
-Autofluoresence,1775,2960533,COC(=O)c1ccc(C2C(Oc3ccccc3)C(=O)N2CCc2ccc(F)cc2)cc1
-Autofluoresence,1775,2958814,O=C(CN1CCOCC1)NCc1ccccc1
-Autofluoresence,1775,2958439,Cc1ccc(C)c(C(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1
-Autofluoresence,1775,2955468,Cc1ccc(CC23CN4CCN(CC(C4)C2O)C3)c(C)c1
-Autofluoresence,1775,2954844,CCN1CCCC1CNC(=O)C(=O)Nc1ccccc1OC
-Autofluoresence,1775,2950287,COc1ccc(CCNC(=O)CC2COc3ccccc3O2)cc1OC
-Autofluoresence,1775,2945846,O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
-Autofluoresence,1775,2945000,S=c1[nH]nc(-c2ccccc2Cl)n1CC1CCCO1
-Autofluoresence,1775,2943722,Cc1nc2cc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)ccc2n1C
-Autofluoresence,1775,2941124,CCC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1
-Autofluoresence,1775,2940809,CCOc1c(O)ccc(C2NC(=O)N(C)C(C)=C2C(=O)OC)c1[N+](=O)[O-]
-Autofluoresence,1775,2940357,COC(=O)C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)CC1
-Autofluoresence,1775,2934198,COC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1.O=C(O)C(=O)O
-Autofluoresence,1775,2932661,O=C(NCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2
-Autofluoresence,1775,2930827,O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1cccc(Cl)c1
-Autofluoresence,1775,2926751,CCOc1ccc(NC(=S)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1
-Autofluoresence,1775,2921833,CCOC(=O)C1C(c2cccs2)NC(=O)N(C)C1(O)C(F)(F)F
-Autofluoresence,1775,2916452,Cc1ccc(NC2=C(NCCO)C(=O)c3ccccc3C2=O)cc1
-Autofluoresence,1775,2913199,O=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1
-Autofluoresence,1775,2909312,COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C(=O)c1ccccc1)CC2
-Autofluoresence,1775,2908053,Cc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)n1
-Autofluoresence,1775,2905205,CCOCN(C(=O)Cn1c(C(C)O)nc2ccccc21)c1c(C)cccc1CC
-Autofluoresence,1775,2898209,Cc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
-Autofluoresence,1775,2897350,CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1
-Autofluoresence,1775,2892580,CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1OCC
-Autofluoresence,1775,2883755,O=C(NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1
-Autofluoresence,1775,2876026,CCC(Sc1ccc(C(=O)O)cc1)C(=O)O
-Autofluoresence,1775,2875556,CC(C)CC(NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cn1
-Autofluoresence,1775,2873664,CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1coc2ccccc2c1=O
-Autofluoresence,1775,2872659,COc1ccc(C(O)c2coc3ccc(O)c(CN(C)C)c23)cc1
-Autofluoresence,1775,2868306,CCOC(=O)C(C(=O)OCC)C1OC(=O)c2cc3c(cc21)C(=O)OC3C(C(=O)OCC)C(=O)OCC
-Autofluoresence,1775,2851938,O=C(CSC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(Cl)cc1
-Autofluoresence,1775,2847171,Cc1nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12
-Autofluoresence,1775,2846028,OC1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1
-Autofluoresence,1775,2842590,CCC(C)Sc1nc(O)cc(=O)[nH]1
-Autofluoresence,1775,2842472,CC1C(=O)CCC1(C(=O)O)c1ccccc1
-Autofluoresence,1775,2841581,CC(C)(O)C1=NOC(c2ccccc2)C1
-Autofluoresence,1775,2839874,COc1ccc(C2NC(=O)C(C)S2)cc1
-Autofluoresence,1775,2837032,CC(CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1
-Autofluoresence,1775,2836994,O=C(NNC(=O)C1CC2CCC1C2)c1sc2ccccc2c1Cl
-Autofluoresence,1775,2835333,CCCCOc1ccc(C2CC(=O)NC2=O)cc1
-Autofluoresence,1775,2827985,Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
-Autofluoresence,1775,2816001,Cc1ccc2nc(C)c3c(c2c1)SCC3
-Autofluoresence,1775,2815322,CCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)c1C#N
-Autofluoresence,1775,2814165,CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CCCCC1
-Autofluoresence,1775,2810598,COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1
-Autofluoresence,1775,2810596,O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2
-Autofluoresence,1775,2809607,Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)c1ccco1
-Autofluoresence,1775,2804699,Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)N
-Autofluoresence,1775,2799443,O=C(NC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1c(Cl)cccc1Cl
-Autofluoresence,1775,2792486,O=C1CCCC2=C1C(c1cccs1)n1ncnc1N2
-Autofluoresence,1775,2770173,CCOP(=O)(OCC)C(O)c1cccnc1
-Autofluoresence,1775,2766445,Fc1ccc(N2CCN(c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)CC2)cc1
-Autofluoresence,1775,2766384,N#C/C(=C/Nc1ccccc1)c1ccsc1
-Autofluoresence,1775,2736807,COC(=O)c1sc(-c2cccs2)cc1N
-Autofluoresence,1775,2728522,CCOC(=O)/C(C#N)=C/Nc1ccccc1OC(F)(F)F
-Autofluoresence,1775,2725925,O=C(Nc1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1
-Autofluoresence,1775,2723946,NNc1n[nH]c(=S)n1N
-Autofluoresence,1775,2713421,O=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1
-Autofluoresence,1775,2671990,COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1
-Autofluoresence,1775,2603096,C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C1CCCCC1
-Autofluoresence,1775,2578523,CSc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1
-Autofluoresence,1775,2568754,COc1ccc(-n2c(C)cc(C(=O)CSc3nn4c(=O)c(C(C)(C)C)nnc4s3)c2C)cc1
-Autofluoresence,1775,2566659,CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(=O)[nH]c1=O
-Autofluoresence,1775,2561590,Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2c(c1)OCO2
-Autofluoresence,1775,2552908,CC(=O)Nc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1
-Autofluoresence,1775,2545663,COc1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC
-Autofluoresence,1775,2532265,C=CCNC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1
-Autofluoresence,1775,2530045,COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc5c(C)cc(=O)oc5c4)cc3)CC2)cc1
-Autofluoresence,1775,2528559,COc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12
-Autofluoresence,1775,2511626,CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21
-Autofluoresence,1775,2491242,CC(=O)c1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1
-Autofluoresence,1775,2490899,O=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1Cl
-Autofluoresence,1775,2475547,Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(c2ccccc2)CC1
-Autofluoresence,1775,2475491,CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)s1
-Autofluoresence,1775,2473891,O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2o1
-Autofluoresence,1775,2468435,Cn1c(SCC(=O)NCCN2C(=O)CSC2=O)nnc1-c1ccccc1
-Autofluoresence,1775,2466151,COC(=O)CCCNC(=O)c1ccccn1
-Autofluoresence,1775,2463732,CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1
-Autofluoresence,1775,2461966,CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1=O
-Autofluoresence,1775,2460170,CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2
-Autofluoresence,1775,2458017,Cc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1
-Autofluoresence,1775,2441441,CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
-Autofluoresence,1775,2429469,CCOC(=O)N=Nc1c(O)n(C)c2ccccc12
-Autofluoresence,1775,2427540,Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(=O)n(C)c1=O
-Autofluoresence,1775,2421787,CC(C)CCOc1cccc(OCC(=O)O)c1
-Autofluoresence,1775,2417901,CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc[n+]([O-])cc1
-Autofluoresence,1775,2413853,CC1(C)Cc2cccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2O1
-Autofluoresence,1775,2408673,O=C(Cn1cnc2ccccc21)OCC(=O)N1CCc2ccccc2C1
-Autofluoresence,1775,2399608,CN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
-Autofluoresence,1775,2396192,CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC)n2CCc2ccccc2)c1
-Autofluoresence,1775,2391290,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)C1=COCCO1
-Autofluoresence,1775,2378425,O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2
-Autofluoresence,1775,2377975,CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCCC1=CCCCC1
-Autofluoresence,1775,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,1775,2375640,CCOC(=O)c1sc(NC(=S)NC(=O)C2CCCC2)cc1C
-Autofluoresence,1775,2370325,Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N
-Autofluoresence,1775,2352280,O=C(COC(=O)/C=C/c1cccs1)Nc1ccc2ccccc2c1
-Autofluoresence,1775,2349691,O=C(CSc1nnc(-c2ccncc2)o1)N1CCc2ccccc2C1
-Autofluoresence,1775,2346899,CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2CCC#N
-Autofluoresence,1775,2343397,CC(=O)NNC(=S)NCCc1ccccc1
-Autofluoresence,1775,2335634,CN1CCC(N(C)C(=O)c2sc3cc(F)ccc3c2Cl)CC1
-Autofluoresence,1775,2331658,COc1ccc(CCNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC
-Autofluoresence,1775,2330315,c1ccc2sc(Cc3nnc4n3CCCCC4)nc2c1
-Autofluoresence,1775,2324077,Cc1ccc[n+](-c2nc3ccccc3nc2C(=C=[N-])C#N)c1
-Autofluoresence,1775,2313748,CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1
-Autofluoresence,1775,2296796,CCOc1c(OC(C)=O)ccc(/C=C2\N=C(SCC)SC2=O)c1[N+](=O)[O-]
-Autofluoresence,1775,2295500,CN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
-Autofluoresence,1775,2281759,Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1
-Autofluoresence,1775,2278591,Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1
-Autofluoresence,1775,2262188,COc1cccc(OC)c1OCCCCN1CCCC1
-Autofluoresence,1775,2249073,CC(C)c1ccccc1OCCCCCNCCO
-Autofluoresence,1775,2244588,Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
-Autofluoresence,1775,2243291,COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1
-Autofluoresence,1775,2239706,CC(C)(C)C(=O)N(CCN(C(=O)C(C)(C)C)c1ccccc1)c1ccccc1
-Autofluoresence,1775,2235959,CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1
-Autofluoresence,1775,2229512,O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1c2ccccc2Sc2ccccc21
-Autofluoresence,1775,2228005,O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
-Autofluoresence,1775,2226842,C=CCNC(=O)CCCc1ccccc1
-Autofluoresence,1775,2216937,O=S(=O)(N1CCCCC1)n1nnc2ccccc21
-Autofluoresence,1775,2214694,CCOc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1
-Autofluoresence,1775,2211856,Cc1c(NC(=O)Nc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1775,2210509,CN(C)c1nc(SCC#N)nc(N(C)C)n1
-Autofluoresence,1775,2205070,O=C(NNC(=S)Nc1ccc(Br)cc1Cl)c1ccncc1
-Autofluoresence,1775,2204887,CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)NCCc1ccccc1
-Autofluoresence,1775,2201235,C=CCNc1nc(Nc2ccc(OC)cc2OC)nc(OCC)n1
-Autofluoresence,1775,2197364,Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1
-Autofluoresence,1775,2193419,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Br)c1
-Autofluoresence,1775,2192212,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Br)cc1
-Autofluoresence,1775,2188688,COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1
-Autofluoresence,1775,2186495,CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1
-Autofluoresence,1775,2185081,COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2OC)c(OC)c1
-Autofluoresence,1775,2182824,CCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
-Autofluoresence,1775,2180085,CCOCCCNC(=O)CSc1ccccc1
-Autofluoresence,1775,2172543,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1
-Autofluoresence,1775,2172307,CCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1
-Autofluoresence,1775,2165163,CCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
-Autofluoresence,1775,2157557,Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
-Autofluoresence,1775,2135046,Cc1cc(C)c(C(=O)OCCNC(=O)c2cccnc2)cc1C
-Autofluoresence,1775,2130249,CCCNC(=O)Nc1nccs1
-Autofluoresence,1775,2123624,Cc1nnc(NC2=NCCC2)o1
-Autofluoresence,1775,2121350,Cc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1
-Autofluoresence,1775,2116123,O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1
-Autofluoresence,1775,2111128,CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1
-Autofluoresence,1775,2104770,N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12
-Autofluoresence,1775,2099570,O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
-Autofluoresence,1775,2090693,NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1
-Autofluoresence,1775,2090255,CCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nnc1-c1cccs1
-Autofluoresence,1775,2089592,CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
-Autofluoresence,1775,2089337,Cc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12
-Autofluoresence,1775,2079782,COc1ccc2c(CC(=O)OCC(=O)c3ccc(F)cc3)coc2c1
-Autofluoresence,1775,2079669,Cc1nc2ccc(NC(=O)Cc3ccccc3F)cc2s1
-Autofluoresence,1775,2040352,O=C(CCCn1nnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1
-Autofluoresence,1775,2035135,Cc1cc(C)c2[nH]c(O)c(N=NC3=NC(=O)CS3)c2c1
-Autofluoresence,1775,2034748,O=c1c2ccccc2c(C=Nc2cccc(O)c2)c(O)n1-c1ccc2c(c1)OCO2
-Autofluoresence,1775,2012958,Cc1nc(SCC(=O)NCc2ccccc2)c2oc3ccccc3c2n1
-Autofluoresence,1775,2011772,COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccn2C)SC1=S
-Autofluoresence,1775,2004038,CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C
-Autofluoresence,1775,1985450,CCCCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N
-Autofluoresence,1775,1984730,C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cnccn1
-Autofluoresence,1775,1973785,CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=O)oc2c1
-Autofluoresence,1775,1967090,CCc1ccc2c(c1)c1nc(C)sc1n2CC(=O)OC
-Autofluoresence,1775,1953490,COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O
-Autofluoresence,1775,1939154,COc1ccc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3nc4ccccc4nc32)cc1
-Autofluoresence,1775,1937957,CCOCCN(C(=O)c1ccccc1Cl)c1cccc(C)c1C
-Autofluoresence,1775,1933725,CCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3
-Autofluoresence,1775,1891749,COc1cc(N2CCCC2)c(OC)cc1/C=c1/sc2nc3ccccc3n2c1=O
-Autofluoresence,1775,1883255,CCOC(=O)C1=C(c2ccccc2)O/C(=C(/C#N)C(F)(F)F)S1
-Autofluoresence,1775,1880481,C=CCN=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CC=C
-Autofluoresence,1775,1878529,CC1(C)Cc2c(sc3nnn(CC(=O)Nc4ccccc4)c(=O)c23)CO1
-Autofluoresence,1775,1867783,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc2ccccc2c1
-Autofluoresence,1775,1867273,Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NCCO
-Autofluoresence,1775,1857545,CCOC(=O)c1cccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)c1
-Autofluoresence,1775,1833008,CSC1=NSC2=NC(=O)/C(=C/c3coc4ccccc4c3=O)C(=N)N12
-Autofluoresence,1775,1824906,COC(=O)CSc1nsc(SCC(=O)OC)c1C#N
-Autofluoresence,1775,1796584,Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccccc1)C3=O
-Autofluoresence,1775,1791766,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)n1
-Autofluoresence,1775,1789702,NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
-Autofluoresence,1775,1787358,COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl
-Autofluoresence,1775,1761867,COCCOC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc12
-Autofluoresence,1775,1744628,CC(C)(CNS(=O)(=O)c1ccc(F)cc1)CNS(=O)(=O)c1ccc(F)cc1
-Autofluoresence,1775,1720676,O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
-Autofluoresence,1775,1639804,CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21
-Autofluoresence,1775,1626558,O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCCCO
-Autofluoresence,1775,1617603,CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1
-Autofluoresence,1775,1538720,CCOc1ccc2c(c1)n(CO)c(=S)n2CO
-Autofluoresence,1775,1522329,FC(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)n1C(F)F
-Autofluoresence,1775,1502158,CCOc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(F)cc1
-Autofluoresence,1775,1487448,N#Cc1c(-c2ccccc2)ccn(Cc2ccc(Cl)cc2)c1=O
-Autofluoresence,1775,1480412,Nc1c(-c2ccc(F)cc2)cnc2ncnn12
-Autofluoresence,1775,1478127,Cc1ccccc1CS(=O)(=O)CC1(O)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
-Autofluoresence,1775,1475719,CC(C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
-Autofluoresence,1775,1474993,O=C1CCCc2ccccc2N1Cc1ccc(Cl)cc1Cl
-Autofluoresence,1775,1472689,Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1
-Autofluoresence,1775,1453278,Cc1sc2nc(CN(C(=O)NC3CCCCC3)C3CCCC3)[nH]c(=O)c2c1C
-Autofluoresence,1775,1451428,CC(C)=CC(=O)Nc1nnc(-c2ccc(F)cc2)s1
-Autofluoresence,1775,1432746,Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nc3)[nH]c2cc1C
-Autofluoresence,1775,1423646,O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
-Autofluoresence,1775,1421994,COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3C)cc2c1
-Autofluoresence,1775,1416241,CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccco1
-Autofluoresence,1775,1400841,Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C
-Autofluoresence,1775,1399896,COc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1
-Autofluoresence,1775,1397125,Cc1ccc(-c2nn(CC(=O)NCc3cc(-c4nn(C)c(=O)c5ccccc45)ccc3C)c(=O)c3ccccc23)cc1
-Autofluoresence,1775,1388988,C=CCn1c(O)c(C(C)=NCCc2ccccc2)c(=O)[nH]c1=O
-Autofluoresence,1775,1383760,COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C
-Autofluoresence,1775,1383751,O=C(CSc1nnnn1C1CCCC1)Nc1ccc(F)cc1
-Autofluoresence,1775,1379290,O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)NCCc1ccccc1
-Autofluoresence,1775,1378768,CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1
-Autofluoresence,1775,1378293,COc1ccc(CCN(C)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1OC
-Autofluoresence,1775,1377352,COc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1OC
-Autofluoresence,1775,1366257,N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Br)c1
-Autofluoresence,1775,1365238,CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-]
-Autofluoresence,1775,1361153,CC(C)CNc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1C(=O)O
-Autofluoresence,1775,1352664,Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(C)c1
-Autofluoresence,1775,1343048,Cc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
-Autofluoresence,1775,1327341,O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1
-Autofluoresence,1775,1314517,COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1
-Autofluoresence,1775,1303417,COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1
-Autofluoresence,1775,1300759,O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1
-Autofluoresence,1775,1282336,O=S(=O)(c1ccc(Br)s1)N1CCc2ccccc2C1
-Autofluoresence,1775,1277376,O=C(O)CCSc1ncnc2sc(-c3ccccc3)cc12
-Autofluoresence,1775,1266440,O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F
-Autofluoresence,1775,1262361,O=C(CNC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
-Autofluoresence,1775,1259977,COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1
-Autofluoresence,1775,1258567,COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc1
-Autofluoresence,1775,1254469,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1
-Autofluoresence,1775,1250210,COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1
-Autofluoresence,1775,1247173,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1
-Autofluoresence,1775,1245932,Cc1ccc2c(c1)CCCN2C(=O)c1ccncc1
-Autofluoresence,1775,1244964,COc1cc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc(OC)c1OC
-Autofluoresence,1775,1223141,COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC
-Autofluoresence,1775,1213362,CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
-Autofluoresence,1775,1211604,COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
-Autofluoresence,1775,1203009,COc1cc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC
-Autofluoresence,1775,1193364,Cc1ccc(NC(=O)c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1
-Autofluoresence,1775,1190244,Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C
-Autofluoresence,1775,1159976,CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12
-Autofluoresence,1775,1152648,Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
-Autofluoresence,1775,1148014,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
-Autofluoresence,1775,1147953,O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1
-Autofluoresence,1775,1142793,O=C(c1ccc(CN2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1
-Autofluoresence,1775,1124076,COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccn1
-Autofluoresence,1775,1124075,O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1
-Autofluoresence,1775,1122041,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1
-Autofluoresence,1775,1110091,c1cncc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
-Autofluoresence,1775,1108156,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
-Autofluoresence,1775,1100062,CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C
-Autofluoresence,1775,1096386,Cc1nn(CCC(=O)O)c(C)c1C
-Autofluoresence,1775,1094970,O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2F)CC1
-Autofluoresence,1775,1094311,CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
-Autofluoresence,1775,1093979,COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
-Autofluoresence,1775,1093438,Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccco3)ccc21
-Autofluoresence,1775,1091495,CS(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
-Autofluoresence,1775,1089138,CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1
-Autofluoresence,1775,1089001,O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1
-Autofluoresence,1775,1088695,Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1
-Autofluoresence,1775,1081378,O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N1CCOCC1
-Autofluoresence,1775,1075678,COc1ccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
-Autofluoresence,1775,1075639,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
-Autofluoresence,1775,1048320,CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
-Autofluoresence,1775,1036710,Cc1c(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1775,1025636,O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccco2)CC1
-Autofluoresence,1775,1025603,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
-Autofluoresence,1775,1023312,COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3C#N)n2)cc1
-Autofluoresence,1775,1007227,Cc1cn2c(N)c(C=C3C=C(Cl)C(=O)C(Cl)=C3)c(=O)nc2s1
-Autofluoresence,1775,999455,CCc1ccc(-c2nc(NC(=S)NC(=O)c3cccs3)sc2C)cc1
-Autofluoresence,1775,999019,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2
-Autofluoresence,1775,982895,CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1
-Autofluoresence,1775,976869,Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)no1
-Autofluoresence,1775,976722,O=C(c1cnsn1)N1CCN(c2ccccc2)CC1
-Autofluoresence,1775,974593,C=CCn1c(-c2ccc(C)cc2)nc2ccccc21
-Autofluoresence,1775,974163,COC(=O)COc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12
-Autofluoresence,1775,974147,COC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1
-Autofluoresence,1775,972515,Cc1nc2ccc(NC(=O)N(C(C)C)C(C)C)cc2s1
-Autofluoresence,1775,972481,O=C(Cn1cnc2ccccc21)NCc1ccccc1
-Autofluoresence,1775,971373,CC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1
-Autofluoresence,1775,970561,COc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
-Autofluoresence,1775,969995,S=C(Nc1cccc2ccccc12)NN1CCOCC1
-Autofluoresence,1775,969950,CSc1ccccc1NS(=O)(=O)c1ccccc1
-Autofluoresence,1775,963287,N#CC(C#N)=Cc1ccc(N2CCCC2)cc1
-Autofluoresence,1775,951458,Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1
-Autofluoresence,1775,943399,COc1ccc(-c2cc(C#N)nc(N3CCNCC3)n2)cc1
-Autofluoresence,1775,941102,CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C
-Autofluoresence,1775,936563,Cc1cccc(OCC(=O)N(C)CCc2ccccn2)c1
-Autofluoresence,1775,934138,Cn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
-Autofluoresence,1775,931309,Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1
-Autofluoresence,1775,930697,Cc1ccc(-c2nc3sc4c(c3c(=O)n2N)CC(C)(C)OC4)cc1
-Autofluoresence,1775,926667,COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1OC
-Autofluoresence,1775,921372,Fc1ccc(-c2cc(C(F)(F)C(F)F)[nH]n2)cc1
-Autofluoresence,1775,914639,CC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1
-Autofluoresence,1775,912884,CNc1nc(-c2c[nH]c3ccccc23)cs1
-Autofluoresence,1775,901910,NS(=O)(=O)c1cccnc1Nc1c(Cl)cccc1Cl
-Autofluoresence,1775,897940,CCSc1nnc(NC(=O)c2ccc(C)o2)s1
-Autofluoresence,1775,897797,O=C(c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
-Autofluoresence,1775,894648,O=C(NCCc1ccncc1)Nc1ccccc1Cl
-Autofluoresence,1775,894645,COc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1
-Autofluoresence,1775,891159,O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F
-Autofluoresence,1775,889907,Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCCC2)c1
-Autofluoresence,1775,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Autofluoresence,1775,883449,CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1
-Autofluoresence,1775,866373,CCOC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
-Autofluoresence,1775,859502,CCOC(=O)CSc1nc2cc3c(cc2cc1C)OCO3
-Autofluoresence,1775,858753,Cc1ccc(NCc2n[nH]c(=S)n2Cc2ccccc2)cc1Cl
-Autofluoresence,1775,851257,O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl
-Autofluoresence,1775,850382,O=C(Nc1ccc2ccccc2c1)c1onc2c1CCCC2
-Autofluoresence,1775,848419,Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1
-Autofluoresence,1775,847124,COc1ccc(S(=O)(=O)Nc2nncs2)cc1
-Autofluoresence,1775,835819,O=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1
-Autofluoresence,1775,835079,Cc1sc2ncnc(Nc3ccccc3)c2c1C
-Autofluoresence,1775,828572,CSc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
-Autofluoresence,1775,808022,CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
-Autofluoresence,1775,804847,CCc1nc2sc(C)c(C)c2c(=O)n1CCO
-Autofluoresence,1775,804693,Cc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1
-Autofluoresence,1775,803812,Cc1ccc(OCCn2nc3ccccc3n2)c(C)c1
-Autofluoresence,1775,802513,CC1CCC2(CC1)NC(=S)N(c1ccccc1)N2
-Autofluoresence,1775,796420,Oc1ccc(N=Cc2ccc(-c3cccs3)s2)cc1
-Autofluoresence,1775,794181,Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1
-Autofluoresence,1775,793808,CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cnoc21
-Autofluoresence,1775,793594,CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCC4)c1N
-Autofluoresence,1775,786577,CCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
-Autofluoresence,1775,783417,CCOC(=O)c1cn(CC2CC2)c2cc(F)c(F)cc2c1=O
-Autofluoresence,1775,780019,Cc1c(N=Cc2ccc[nH]2)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1775,779502,O=C1c2ccccc2C(=O)N1CCN1CCOCC1
-Autofluoresence,1775,778399,COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
-Autofluoresence,1775,776411,CN(C)/C=C1\C=C2C(=O)c3ccccc3N2C1=O
-Autofluoresence,1775,772963,O=C(CCN1CCCCC1)Nc1ccc(Br)cc1
-Autofluoresence,1775,768972,CC(C)NC(=O)CCCc1c[nH]c2ccccc12
-Autofluoresence,1775,763864,Cc1ccc(-c2nc(-c3cccnc3)no2)cc1
-Autofluoresence,1775,757308,CC(C)COc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3
-Autofluoresence,1775,756763,CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C
-Autofluoresence,1775,752229,CC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1
-Autofluoresence,1775,746630,N#C/C(C(=O)c1ccccc1)=C1/CCCN1
-Autofluoresence,1775,745258,CN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1
-Autofluoresence,1775,743485,Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2n1
-Autofluoresence,1775,742636,Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(C)c2)n1
-Autofluoresence,1775,741690,COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21
-Autofluoresence,1775,731635,CCOC(=O)Nc1cc(C)ccc1OC
-Autofluoresence,1775,729595,CCOc1ccccc1OCC(=O)Nc1nnc(C)s1
-Autofluoresence,1775,728682,CC(=O)c1cc(C#N)c(SCC(=O)OC(C)(C)C)nc1C
-Autofluoresence,1775,720720,CCN(C(=O)c1cc2cccc(OC)c2oc1=O)C1CCCCC1
-Autofluoresence,1775,715581,COc1ccccc1NC(=O)C1CCCCC1
-Autofluoresence,1775,712290,CCN(CC)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
-Autofluoresence,1775,711442,CC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N
-Autofluoresence,1775,708862,CC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1
-Autofluoresence,1775,707584,O=C(NCc1ccco1)c1ccc2snnc2c1
-Autofluoresence,1775,703898,Cc1ccc(C)n1-n1c(C)nc2scc(-c3ccccc3)c2c1=O
-Autofluoresence,1775,697254,Cc1cc(N2CCCCC2)nc(N2CCOCC2)n1
-Autofluoresence,1775,695449,O=C(O)CCCC(=O)Nc1cccc2cccnc12
-Autofluoresence,1775,689261,COCc1cc(CN2CCCC2)c(O)c2ncccc12
-Autofluoresence,1775,687460,CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC
-Autofluoresence,1775,685673,Cc1cccc(C)c1N1CCc2cn[nH]c21
-Autofluoresence,1775,684507,COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1
-Autofluoresence,1775,682447,CC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
-Autofluoresence,1775,671015,COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC
-Autofluoresence,1775,670282,CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
-Autofluoresence,1775,669246,CC(C)C(=O)N(Cc1ccccc1)c1ccccn1
-Autofluoresence,1775,667358,CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1
-Autofluoresence,1775,667010,COc1ccc(CCNC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1OC
-Autofluoresence,1775,666990,O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OCCO2
-Autofluoresence,1775,666956,COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c(OC)c1
-Autofluoresence,1775,666702,O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccccc1
-Autofluoresence,1775,666364,COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC
-Autofluoresence,1775,666128,O=C(O)c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1
-Autofluoresence,1775,665869,COC(=O)Cc1c(C)nc2nc(NCc3ccc(Cl)cc3)[nH]n2c1=O
-Autofluoresence,1775,665747,CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
-Autofluoresence,1775,665642,Cc1cc(C)n(-c2nc(NCC(C)O)c3c4c(sc3n2)CCCC4)n1
-Autofluoresence,1775,665319,COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1
-Autofluoresence,1775,665310,O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1
-Autofluoresence,1775,665077,CCCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1775,664721,N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCN1CCOCC1
-Autofluoresence,1775,664673,CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O
-Autofluoresence,1775,664557,CCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12
-Autofluoresence,1775,664390,N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1
-Autofluoresence,1775,664279,Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1
-Autofluoresence,1775,663599,OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1ccccc1F)CC2
-Autofluoresence,1775,663583,COc1cccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)c1
-Autofluoresence,1775,663526,CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
-Autofluoresence,1775,662637,COc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1
-Autofluoresence,1775,662303,N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1
-Autofluoresence,1775,661923,COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cccc(OC)c1OC
-Autofluoresence,1775,661594,Nc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
-Autofluoresence,1775,661584,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1
-Autofluoresence,1775,660294,Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1
-Autofluoresence,1775,659595,Cc1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1
-Autofluoresence,1775,659414,Cc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1
-Autofluoresence,1775,659173,CCCC1C(c2ccccc2)C(C#N)(C#N)C2(C#N)CC1(N)NC2=O
-Autofluoresence,1775,659063,CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1
-Autofluoresence,1775,658821,CCC(=NCCOc1ccc(Cl)cc1)c1c(O)n(C)c(=O)n(C)c1=O
-Autofluoresence,1775,658462,CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CS1
-Autofluoresence,1775,658389,CC(C)(C)Nc1cccccc1=O
-Autofluoresence,1775,658117,O=S1(=O)CCC(N=Cc2cc(Br)ccc2O)C1
-Autofluoresence,1775,655677,Cc1ccc(-c2nn[nH]n2)o1
-Autofluoresence,1775,655661,Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NC(C)CCc2ccco2)cc1Cl
-Autofluoresence,1775,655656,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2
-Autofluoresence,1775,655473,CCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
-Autofluoresence,1775,655049,Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C
-Autofluoresence,1775,654721,Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)COc1ccccc1)c1nnnn12
-Autofluoresence,1775,654623,COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1
-Autofluoresence,1775,654539,Fc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCCC2)cc1
-Autofluoresence,1775,654474,c1coc(CNC2CCCCCCC2)c1
-Autofluoresence,1775,654451,CC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1
-Autofluoresence,1775,654310,Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O
-Autofluoresence,1775,654083,COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1
-Autofluoresence,1775,654075,CCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
-Autofluoresence,1775,653615,Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1
-Autofluoresence,1775,653565,CCc1nnc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)s1
-Autofluoresence,1775,653280,Cc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1
-Autofluoresence,1775,652854,Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1
-Autofluoresence,1775,652750,CC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O
-Autofluoresence,1775,652704,CCOc1ccc2nc(NCCNC(=O)C(C)C)c(C)cc2c1
-Autofluoresence,1775,652665,Cn1c(=O)[nH]c(=O)c2[nH]c(NCCCN3CCOCC3)nc21
-Autofluoresence,1775,652576,COc1cc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)ccc1-n1cnnn1
-Autofluoresence,1775,652338,O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1)c1ccco1
-Autofluoresence,1775,652241,O=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1
-Autofluoresence,1775,651900,CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1
-Autofluoresence,1775,651869,O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1)NCC1CCCO1
-Autofluoresence,1775,651827,COc1ccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)cc1
-Autofluoresence,1775,651359,COC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
-Autofluoresence,1775,651262,COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c(OC)c1
-Autofluoresence,1775,651193,O=C(NCC1CCCO1)c1cccnc1Nc1ccccc1F
-Autofluoresence,1775,650847,Cc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1
-Autofluoresence,1775,650552,CC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
-Autofluoresence,1775,650323,CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1
-Autofluoresence,1775,650306,Cc1ccc(C(=O)CSc2ccccn2)cc1
-Autofluoresence,1775,649840,Cc1ccc(C)c(-c2nc3cc(N)ccc3o2)c1
-Autofluoresence,1775,649555,CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
-Autofluoresence,1775,649544,O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1
-Autofluoresence,1775,649073,Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1
-Autofluoresence,1775,648676,CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1
-Autofluoresence,1775,648463,CCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C
-Autofluoresence,1775,648097,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1
-Autofluoresence,1775,647632,CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCOCC1
-Autofluoresence,1775,647602,COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)CC3CCCO3)cc2c1
-Autofluoresence,1775,647311,CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1
-Autofluoresence,1775,647103,COc1nc(-c2ccccc2)cc(-c2ccccc2)n1
-Autofluoresence,1775,646783,Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2ccco2)cc1
-Autofluoresence,1775,646382,CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccs1
-Autofluoresence,1775,646346,O=C(NCc1ccccn1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
-Autofluoresence,1775,646174,CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
-Autofluoresence,1775,645810,O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCC1
-Autofluoresence,1775,645662,CC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O
-Autofluoresence,1775,645510,COc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)c1
-Autofluoresence,1775,645049,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O
-Autofluoresence,1775,644456,Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1
-Autofluoresence,1775,644388,COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1.O=C(O)C(=O)O
-Autofluoresence,1775,629349,Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1
-Autofluoresence,1775,615540,Cc1sc(N)c(C(=O)c2ccccc2)c1C
-Autofluoresence,1775,595568,COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12
-Autofluoresence,1775,589480,CC(=O)Nc1cnc2ccccc2n1
-Autofluoresence,1775,585964,O=C(NCCSc1ccccc1)c1cncc(Br)c1
-Autofluoresence,1775,574469,O=C(O)CCC(=O)N(Cc1cccs1)Cc1cccs1
-Autofluoresence,1775,568007,CC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12
-Autofluoresence,1775,558856,CSc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1
-Autofluoresence,1775,535933,COc1ccc(C(=O)C23CN4CN(CN(C4)C2)C3)cc1
-Autofluoresence,1775,403082,Cc1nccn1S(=O)(=O)c1ccc(Br)cc1Br
-Autofluoresence,1775,383681,CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F
-Autofluoresence,1775,376421,Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-]
-Autofluoresence,1775,247228,O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
-Autofluoresence,1775,232763,CC12CCC(C(=Nc3ccc(N=C4C(=O)C5(C)CCC4C5(C)C)cc3)C1=O)C2(C)C
-Autofluoresence,1775,123191,Cn1c(=S)n(C)c2ccccc21
-Autofluoresence,1775,95707,CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
-Autofluoresence,1775,65047,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21

CHAFF_individual_AIDs/pubchem_aid_1776_active_curated.csv

@@ -1,473 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,1776,135490322,O=C(COc1ccccc1-c1ccccc1)N/N=C/c1sc(Nc2ccccc2)nc1Cl
-Autofluoresence,1776,135473386,CCCCCCc1cc2cc(-c3nnc(-c4ccccc4OC)o3)c(=O)oc2cc1O
-Autofluoresence,1776,135464648,CCCCCCc1cc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2cc1O
-Autofluoresence,1776,135417054,CCC1(CC)C(=O)N(C)C(=O)NC1=Nc1ccccc1
-Autofluoresence,1776,135415523,O=c1oc2ccccc2c(O)c1/C=N/c1ccccn1
-Autofluoresence,1776,135415507,Cc1cc(=O)[nH]c(SCc2cc(Cl)ccc2OC(F)F)n1
-Autofluoresence,1776,135415473,CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)F)cc2)n1
-Autofluoresence,1776,135415462,O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCN(Cc2ccccc2)CC1
-Autofluoresence,1776,135415445,N#C/C(=C(/O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1
-Autofluoresence,1776,135408359,O=c1oc2cc(O)ccc2cc1-c1nc2c(s1)CCc1ccccc1-2
-Autofluoresence,1776,135406171,O=c1[nH]c(O)c(/C=C2\C=NN=C2c2ccccc2)c(=O)[nH]1
-Autofluoresence,1776,135402358,O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2-c1ccccc1
-Autofluoresence,1776,135400502,Nc1nonc1/C(=N/O)N1CCN(CCO)CC1
-Autofluoresence,1776,54692915,CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21
-Autofluoresence,1776,54679255,CCCCCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c(O)c2ccccc21
-Autofluoresence,1776,54678166,O=C(Nc1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3
-Autofluoresence,1776,16193971,O=C(/C=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccccc1
-Autofluoresence,1776,12005492,Cc1ccc(C2=NN(CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)CC2)cc1
-Autofluoresence,1776,11948879,O=C(O)C(=O)O.O=C(c1cccs1)N1CCN(CCCc2ccccc2)CC1
-Autofluoresence,1776,11839287,COCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1776,11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,1776,10864994,CCN1/C(=C/C=C/c2oc3ccc(-c4ccccc4)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21.CCOS(=O)(=O)[O-]
-Autofluoresence,1776,9725776,C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)OCCO2
-Autofluoresence,1776,9693619,Clc1ccc(/C=N/Nc2nn[nH]n2)cc1
-Autofluoresence,1776,9593964,C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
-Autofluoresence,1776,9585392,O=C(Cc1ccccc1)N/N=C/C1CC2CCC1C2
-Autofluoresence,1776,9568641,C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1cccs1
-Autofluoresence,1776,9551203,Cn1c2ccccc2c2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn(C3CCCCC3)c(=O)c21
-Autofluoresence,1776,9551195,Cc1ccc2cc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)sc3nc2c1
-Autofluoresence,1776,9550000,C[C@@]12CC(=O)NC1N(C(=O)c1ccccc1)C(c1ccccc1OC(=O)c1ccccc1)C2
-Autofluoresence,1776,9549722,CC(O)C1C(=O)OC2(C)CC(C)(C)NC(=S)N12
-Autofluoresence,1776,7407629,C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccco1
-Autofluoresence,1776,7183662,CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1
-Autofluoresence,1776,7110093,CCOC(=O)c1sc(Nc2nc3cc4c(cc3s2)OCO4)cc1C
-Autofluoresence,1776,6899870,COc1ccc(/C=N/n2c(C)cc(C)c(C(N)=O)c2=O)cc1
-Autofluoresence,1776,6871590,O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1
-Autofluoresence,1776,6864491,CCOC(=O)c1c(NC(=O)N/N=C/c2ccccc2OCC)sc(C(C)=O)c1C
-Autofluoresence,1776,6518655,COc1ccc(N=C2S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1
-Autofluoresence,1776,6411045,CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12)c1ccccc1
-Autofluoresence,1776,6342917,C=CCN1C(=O)S/C(=C/c2ccsc2)C1=O
-Autofluoresence,1776,6236417,CC(=O)c1ccc(NC(=O)C(C)N2CCN(C/C=C/c3ccccc3)CC2)cc1
-Autofluoresence,1776,6103405,O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccccc1
-Autofluoresence,1776,5864398,COc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c(OC)c1
-Autofluoresence,1776,5769297,C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)C(C#N)=C3C)o2)ccc1Cl
-Autofluoresence,1776,5767171,CCN=C1S/C(=C\c2ccc(OC)c(OCC)c2)C(=O)N1CC
-Autofluoresence,1776,5742583,COc1ccc(N2C(=O)C(CC(=O)O)S/C2=C\C(C)=O)cc1
-Autofluoresence,1776,5738010,COC(=O)C(C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O
-Autofluoresence,1776,5718631,CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,1776,5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
-Autofluoresence,1776,5524030,COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1/C=C/Nc1cc(C)cc(C)c1
-Autofluoresence,1776,5407781,O=S(=O)(N/N=C\c1cccnc1)c1ccccc1
-Autofluoresence,1776,5389770,COc1cc(C2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O
-Autofluoresence,1776,5347019,O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1
-Autofluoresence,1776,5333607,CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1
-Autofluoresence,1776,5213185,O=C(Nc1ccccc1N(C(=O)c1ccco1)S(=O)(=O)c1cccs1)c1ccco1
-Autofluoresence,1776,5202335,COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1
-Autofluoresence,1776,5192815,COC(=O)C(C(=O)OC)c1ccccc1[N+](=O)[O-]
-Autofluoresence,1776,5183901,COC(=O)CSc1nc(-c2ccccc2)c2c(c1C#N)CCCC2
-Autofluoresence,1776,5103390,CCC(=O)NC(Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F
-Autofluoresence,1776,5093963,COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
-Autofluoresence,1776,5085262,CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1
-Autofluoresence,1776,4961867,O=C(O)Cc1csc(NC(=O)c2ccco2)n1
-Autofluoresence,1776,4875553,CC1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
-Autofluoresence,1776,4840564,NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
-Autofluoresence,1776,4840463,CCN(c1ccc(N=Cc2c(O)n(Cc3ccc(OC)cc3)c(=O)c3ccccc23)cc1)C(C)C
-Autofluoresence,1776,4655086,COc1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
-Autofluoresence,1776,4538344,O=P(C(=Nc1ccccc1)NNc1ccc(Br)cc1)(N1CCOCC1)N1CCOCC1
-Autofluoresence,1776,4457839,CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1
-Autofluoresence,1776,4437145,Cc1cc(C(=O)NCC(=O)OC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)ccc1[N+](=O)[O-]
-Autofluoresence,1776,4423811,CCC1(C)NOC(=O)c2ccccc2N1
-Autofluoresence,1776,4407082,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccsc1
-Autofluoresence,1776,4402452,COc1ccc(C2NC(=S)N3C(c4ccc(OC)cc4)NC(=S)N23)cc1
-Autofluoresence,1776,4381791,CCc1c(C)sc(NC(=O)C2CCCO2)c1C#N
-Autofluoresence,1776,4316751,NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2[N+](=O)[O-])c1=O
-Autofluoresence,1776,4167452,S=C1COC(c2ccccc2)N1c1ccccc1
-Autofluoresence,1776,4103678,CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1
-Autofluoresence,1776,4088512,CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)n1
-Autofluoresence,1776,4085368,Cc1ccc(Cl)cc1NC(=O)COC(=O)CC1CC2CCC1C2
-Autofluoresence,1776,4084659,CCOC(=O)C(NC(=O)CC)(Nc1nc2c(s1)CCCC2)C(F)(F)F
-Autofluoresence,1776,4009612,COC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
-Autofluoresence,1776,4006718,N#Cc1ccc(COC(=O)C2CCC(=O)N2)cc1
-Autofluoresence,1776,3930624,CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2
-Autofluoresence,1776,3858114,CC1(C)CC(=O)C(=C2SCCCS2)C(=O)C1
-Autofluoresence,1776,3811533,CCCOC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1
-Autofluoresence,1776,3794663,CN(C)CCN=Cc1c(O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
-Autofluoresence,1776,3754375,C=CCn1c(SCc2cccc(C)c2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1
-Autofluoresence,1776,3704521,COc1ccc(NC(=S)N(CCN(C)C)C(C)c2ccco2)cc1Cl
-Autofluoresence,1776,3660113,COCCNC(=O)C1(C)Oc2ccccc2NC1=O
-Autofluoresence,1776,3658422,CC1N(O)C(C)(C)C(c2ccccc2)=[N+]1[O-]
-Autofluoresence,1776,3645286,O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1Cc1cc(=O)n2ccccc2n1
-Autofluoresence,1776,3644169,O=C1Nc2ncccc2OC1CCCl
-Autofluoresence,1776,3517787,N#CC(C#N)=C1C=C2C=C(N3CCCCC3)CCC2CC1
-Autofluoresence,1776,3403543,Cc1cccc2c(=O)n3c(nc12)CCCCC3
-Autofluoresence,1776,3400110,COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)s1
-Autofluoresence,1776,3398952,CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Br)o2)c1
-Autofluoresence,1776,3295107,Cc1ccc(C)c(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1
-Autofluoresence,1776,3277430,CC(=O)Nc1ccc(C(=O)OC2CCCCC2=O)cc1
-Autofluoresence,1776,3241124,CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1
-Autofluoresence,1776,3240226,O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O
-Autofluoresence,1776,3237981,CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1
-Autofluoresence,1776,3236577,CCCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
-Autofluoresence,1776,3228219,Cc1nc(N2CCC(C)CC2)c2nnn(Cc3ccccc3)c2n1
-Autofluoresence,1776,3224633,COc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)c1
-Autofluoresence,1776,3220890,O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12
-Autofluoresence,1776,3217655,O=C(NCc1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3
-Autofluoresence,1776,3176832,Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc4C3)cc12
-Autofluoresence,1776,3172005,CCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
-Autofluoresence,1776,3168438,Cc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1
-Autofluoresence,1776,3157945,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C
-Autofluoresence,1776,3152007,COc1ccc(Cl)cc1N1C(=O)CC(N2CCc3ccccc32)C1=O
-Autofluoresence,1776,3149582,CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
-Autofluoresence,1776,3147994,CC1Cc2ccccc2N1C(=O)CSc1nnnn1C
-Autofluoresence,1776,3143320,CC(C)N(C)NC(=S)Nc1ccccc1
-Autofluoresence,1776,3142724,CCCCSc1ncc(C(=O)OCC)c(N)n1
-Autofluoresence,1776,3138196,CC1=CCC(C(=O)O)C(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1
-Autofluoresence,1776,3135549,O=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21
-Autofluoresence,1776,3132050,CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1
-Autofluoresence,1776,3121367,CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
-Autofluoresence,1776,3121009,CCOC(=O)NC(CC(=O)O)c1ccc(OC)c(OC)c1
-Autofluoresence,1776,3108173,CCCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1
-Autofluoresence,1776,3102728,CCOc1ccccc1C(=O)NC(CO)C(=O)O
-Autofluoresence,1776,3000133,O=C(COC(=O)Cn1cnc2ccccc21)NCCC1=CCCCC1
-Autofluoresence,1776,3000051,CC(Oc1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1
-Autofluoresence,1776,2999831,Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1
-Autofluoresence,1776,2999822,O=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1
-Autofluoresence,1776,2999802,O=C(CC(Nc1ccccc1)C(=O)O)c1ccccc1
-Autofluoresence,1776,2999775,Nn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1
-Autofluoresence,1776,2999691,CC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O
-Autofluoresence,1776,2999566,CC(=O)Nc1ccc(C2(O)COc3ccccc3O2)cc1
-Autofluoresence,1776,2999551,O=C(NC1CCCc2ccccc21)c1cccnc1
-Autofluoresence,1776,2999524,Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccn2)n1
-Autofluoresence,1776,2999484,CC(=O)N1CCC(C(=O)Nc2ccccc2)(N(Cc2ccccc2)C(=O)c2cccnc2)CC1
-Autofluoresence,1776,2999226,CCCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2cc(S(N)(=O)=O)ccc21
-Autofluoresence,1776,2999128,O=C1c2ccccc2NC(c2ccc3c(c2)OCCO3)N1c1ccc2c(c1)OCCO2
-Autofluoresence,1776,2999057,COC1=C(OC)c2ccccc2C(C(=O)O)N/C1=C(/C)Nc1ccncc1
-Autofluoresence,1776,2998779,CC1(c2ccccc2)NC(=O)N(CCOc2ccccc2)C1=O
-Autofluoresence,1776,2998712,Cc1cc(C)n2c(SCCC(C)C)nnc2n1
-Autofluoresence,1776,2998649,Cc1c(N=Cc2c(O)n(Cc3ccco3)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1776,2998645,Cc1cccc(S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)c1
-Autofluoresence,1776,2998588,CC1CN(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)CC(C)O1
-Autofluoresence,1776,2998552,O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
-Autofluoresence,1776,2998523,COC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1
-Autofluoresence,1776,2998490,O=C1CSC(=S)N1c1cccnc1
-Autofluoresence,1776,2998459,Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccccc1
-Autofluoresence,1776,2998425,O=C(COc1ccc(-c2nnco2)cc1)NC1CCCc2ccccc21
-Autofluoresence,1776,2998423,c1ccc2c(c1)CCCC2NC1=NCCC1
-Autofluoresence,1776,2998388,CCCCn1c(SCC(=O)N2CC(C)CC(C)C2)nc2cc(S(N)(=O)=O)ccc21
-Autofluoresence,1776,2998264,CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)(C3)C2
-Autofluoresence,1776,2998228,O=C(CSc1nnc(-c2ccco2)o1)NC(=O)C1COc2ccccc2O1
-Autofluoresence,1776,2998175,CN1CCN(c2ccc(Cl)cc2NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1
-Autofluoresence,1776,2998082,CCC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O
-Autofluoresence,1776,2998078,CN1CCCC(OC(=O)c2cc(Cl)ccc2Cl)C1
-Autofluoresence,1776,2998064,CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)C1CCS(=O)(=O)C1
-Autofluoresence,1776,2998038,COc1cc(-c2csc(N3CCOCC3)n2)cc(OC)c1OC
-Autofluoresence,1776,2997972,CN1CCN(c2ccc(Cl)cc2NC(=O)C2COc3ccccc3O2)CC1
-Autofluoresence,1776,2997872,CCCCN1C(=O)c2ccc(C(=O)Nc3c(N)n(CCCC)c(=O)n(C)c3=O)cc2C1=O
-Autofluoresence,1776,2997849,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
-Autofluoresence,1776,2997774,O=C1CCCCCN1Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccn1
-Autofluoresence,1776,2997721,CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccco1)n2CC
-Autofluoresence,1776,2997687,O=C1COc2ccc(C(=O)COC(=O)Cn3cnc4ccccc43)cc2N1
-Autofluoresence,1776,2997674,Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)c1
-Autofluoresence,1776,2997616,Cc1ccsc1C(=O)OC1CCOC1=O
-Autofluoresence,1776,2997611,CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
-Autofluoresence,1776,2997529,Cc1noc(C)c1CSc1nc2ccccc2n1C
-Autofluoresence,1776,2997526,CC(C)N(c1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1
-Autofluoresence,1776,2955758,COc1cccc2cc(C(=O)N3CCCCC3C)c(=O)oc12
-Autofluoresence,1776,2954230,CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
-Autofluoresence,1776,2952134,CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1
-Autofluoresence,1776,2946378,O=C(O)C(Cc1cc2ccccc2[nH]1)N1C(=O)C2CC=C(Cl)CC2C1=O
-Autofluoresence,1776,2933365,CCc1cccc(C)c1NC(=O)C1CCCO1
-Autofluoresence,1776,2931982,COc1cc(OC)c(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1OC
-Autofluoresence,1776,2930652,COc1ccc(OC)c(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)c1
-Autofluoresence,1776,2928818,Cc1cc2ncn(C(=O)N3CCCCCC3)c2cc1C
-Autofluoresence,1776,2912856,CC(O)c1cccc(NC(=O)CCC(=O)O)c1
-Autofluoresence,1776,2901754,CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1
-Autofluoresence,1776,2900992,O=C(O)C1CC=CCC1C(=O)NCc1ccc2c(c1)OCO2
-Autofluoresence,1776,2883804,O=C(O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1
-Autofluoresence,1776,2882880,O=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1
-Autofluoresence,1776,2878137,O=C(O)C(=O)O.O=C(c1cccc(F)c1)N1CCN(C2CCCCC2)CC1
-Autofluoresence,1776,2869210,CC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
-Autofluoresence,1776,2865452,COc1ccc(CCN2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1OC
-Autofluoresence,1776,2864373,O=C(c1ccc(CN2CCOCC2)cc1)N1CCCCC1
-Autofluoresence,1776,2862595,Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCO2)c1C(=O)OC(C)C
-Autofluoresence,1776,2859568,O=C1c2cc(S(=O)(=O)NCCCO)ccc2-c2ccc(S(=O)(=O)NCCCO)cc21
-Autofluoresence,1776,2843392,O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCc2ccccc21
-Autofluoresence,1776,2841620,CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O
-Autofluoresence,1776,2841595,CCCCN1C(=O)N(C)C2C1N(C)C(=O)N2CCCC
-Autofluoresence,1776,2837714,CC1NC(=O)NC1CCCCC(=O)O
-Autofluoresence,1776,2837570,CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccncc1
-Autofluoresence,1776,2836992,O=C(NCc1ccco1)C1CC2CCC1C2
-Autofluoresence,1776,2802499,CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1
-Autofluoresence,1776,2787154,CC(Nc1n[nH]c(=S)[nH]c1=O)C(=O)OCc1ccccc1
-Autofluoresence,1776,2766164,CCCCC1C(C#N)=C(C)NC2=C1C(=O)CC(C)(C)C2
-Autofluoresence,1776,2732518,COc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1
-Autofluoresence,1776,2713239,COc1ccccc1CNC(=O)Cn1cnc2ccccc2c1=O
-Autofluoresence,1776,2677992,COC(=O)c1ccc(OC(=O)c2ccccn2)cc1
-Autofluoresence,1776,2676802,O=C(CCCN1C(=O)c2ccccc2C1=O)NC1=NCCS1
-Autofluoresence,1776,2676414,COC(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
-Autofluoresence,1776,2646358,Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1
-Autofluoresence,1776,2612694,Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1
-Autofluoresence,1776,2601751,Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1
-Autofluoresence,1776,2591961,O=C(CSc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
-Autofluoresence,1776,2535899,O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12
-Autofluoresence,1776,2531445,Cc1ccnc2nc(C(=O)Nc3nccs3)nn12
-Autofluoresence,1776,2528622,Cc1ccnc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn12
-Autofluoresence,1776,2527610,COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(Cl)cc2)cc1
-Autofluoresence,1776,2519987,COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)sc(C)c1C
-Autofluoresence,1776,2514549,C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(CC)cc2c1=O
-Autofluoresence,1776,2498659,Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
-Autofluoresence,1776,2455007,Brc1ccc(CN2CCNCC2)s1
-Autofluoresence,1776,2432456,CCCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
-Autofluoresence,1776,2432250,COc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC(C)(C)C
-Autofluoresence,1776,2427689,Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)o1
-Autofluoresence,1776,2425291,CC(C)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
-Autofluoresence,1776,2424129,C/C(=C(\C#N)P(=O)(c1ccccc1)c1ccccc1)N1CCCC1
-Autofluoresence,1776,2423958,CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1
-Autofluoresence,1776,2420006,COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
-Autofluoresence,1776,2418762,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
-Autofluoresence,1776,2417050,Cc1nnc(SCc2nnc(-c3ccccc3)o2)n(N)c1=O
-Autofluoresence,1776,2415597,CN1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
-Autofluoresence,1776,2415234,Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1
-Autofluoresence,1776,2412841,Cc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12
-Autofluoresence,1776,2412772,CN1CC(=O)N(CCOc2ccccc2)C1=O
-Autofluoresence,1776,2408679,O=C(Cn1cnc2ccccc21)OCC(=O)N1CCCc2ccccc21
-Autofluoresence,1776,2407873,CCOC(=O)CCCNC(=O)COC(=O)c1cccc(C)c1O
-Autofluoresence,1776,2407419,CCC(CC)NC(=O)COC(=O)c1cccc(C)c1O
-Autofluoresence,1776,2406780,CC(C)=CC(=O)OCC(=O)Nc1ccccc1Cl
-Autofluoresence,1776,2405992,CC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
-Autofluoresence,1776,2405976,O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1
-Autofluoresence,1776,2403325,O=C(CSc1nc2ccccc2o1)N1CCCC1
-Autofluoresence,1776,2401305,O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCCC1
-Autofluoresence,1776,2397006,CCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
-Autofluoresence,1776,2387385,O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCc2ccccc2C1
-Autofluoresence,1776,2386764,Cc1ccsc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2
-Autofluoresence,1776,2382051,O=C(CSCc1ccc(Cl)cc1)c1ccco1
-Autofluoresence,1776,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,1776,2376830,COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
-Autofluoresence,1776,2363592,CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccco1
-Autofluoresence,1776,2357510,O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1ccco1
-Autofluoresence,1776,2355770,CC1(C)CC(=O)NC=C(c2ccccc2)C1
-Autofluoresence,1776,2335922,Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1
-Autofluoresence,1776,2323673,O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccc(F)cc1
-Autofluoresence,1776,2323671,O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccc(Cl)cc1
-Autofluoresence,1776,2316008,O=C1CN(C(=O)c2ccccn2)c2ccccc2N1
-Autofluoresence,1776,2313814,Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1
-Autofluoresence,1776,2306986,COc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12
-Autofluoresence,1776,2289653,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSCc2ccco2)cc1
-Autofluoresence,1776,2265768,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(Br)c1
-Autofluoresence,1776,2205831,O=C(Nc1ccccn1)C(=O)N1CCCCC1
-Autofluoresence,1776,2205102,CCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1
-Autofluoresence,1776,2204949,COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1
-Autofluoresence,1776,2204777,CCc1c(C(=O)NNC(=S)NCCc2ccccc2)csc1C
-Autofluoresence,1776,2204766,Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1
-Autofluoresence,1776,2185720,CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
-Autofluoresence,1776,2157601,CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21
-Autofluoresence,1776,2157557,Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
-Autofluoresence,1776,2155109,CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)s1
-Autofluoresence,1776,2136899,COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC
-Autofluoresence,1776,2125605,O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
-Autofluoresence,1776,2125120,Cc1nc(SCn2nnc3ccccc3c2=O)nc(C)c1C
-Autofluoresence,1776,2124942,O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)CCC2
-Autofluoresence,1776,2124908,O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)s1
-Autofluoresence,1776,2124847,Cc1cc(C)n2nc(C(=O)OCCOc3cccc(Br)c3)nc2n1
-Autofluoresence,1776,2113967,Cc1cc2occ(CC(=O)O)c2cc1C
-Autofluoresence,1776,2112147,Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c(C)o1
-Autofluoresence,1776,2109682,Cc1ccc(C)c(-n2nnnc2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
-Autofluoresence,1776,2106979,O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
-Autofluoresence,1776,2106314,Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
-Autofluoresence,1776,2106262,Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1C
-Autofluoresence,1776,2106213,CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1
-Autofluoresence,1776,2106152,Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1ccccc1
-Autofluoresence,1776,2103176,COc1ccccc1NC(=O)Nn1cnnc1
-Autofluoresence,1776,2103175,COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1
-Autofluoresence,1776,2103170,COc1ccccc1NC(=O)Nc1ccc(Br)cn1
-Autofluoresence,1776,2102207,CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
-Autofluoresence,1776,2100119,CCC(CC)NC(=O)c1ccc2nc[nH]c2c1
-Autofluoresence,1776,2094572,CC(C)Cn1c(N)c(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(=O)n(C)c1=O
-Autofluoresence,1776,2090421,CCCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
-Autofluoresence,1776,2083812,CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C
-Autofluoresence,1776,2083783,CC(C)=CC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl
-Autofluoresence,1776,2083749,Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2
-Autofluoresence,1776,2083748,Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCc2ccccc21
-Autofluoresence,1776,2063295,O=P(O)(O)C#Cc1ccccc1
-Autofluoresence,1776,1973785,CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=O)oc2c1
-Autofluoresence,1776,1951892,Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NCCN)n2)cc1
-Autofluoresence,1776,1939399,CCCCSCc1ccc(C(=O)O)o1
-Autofluoresence,1776,1937265,COc1cc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc(OC)c1OC
-Autofluoresence,1776,1893434,CCNc1nc(NCC)nc(OCCOC(C)=O)n1
-Autofluoresence,1776,1790658,COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC
-Autofluoresence,1776,1743711,COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC
-Autofluoresence,1776,1717182,CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1
-Autofluoresence,1776,1556011,CCCCCOC(=O)CSc1n[nH]c(=O)[nH]c1=O
-Autofluoresence,1776,1535341,c1csc(CSc2nc3ccccc3s2)c1
-Autofluoresence,1776,1489247,O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
-Autofluoresence,1776,1485813,COc1ccccc1-c1nn2c(=O)cc(C)nc2s1
-Autofluoresence,1776,1485502,O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
-Autofluoresence,1776,1482922,N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(C3CCCCC3)nc12
-Autofluoresence,1776,1480655,O=c1c(-c2ccnn2-c2ccccc2F)cnc2n1CCS2
-Autofluoresence,1776,1478120,COc1ccc(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)cc1
-Autofluoresence,1776,1478058,Cc1nc(N2CCOCC2)c(C#N)c(C)c1Br
-Autofluoresence,1776,1477785,Cc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1F
-Autofluoresence,1776,1475146,Cc1ccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)cc1
-Autofluoresence,1776,1473443,Cc1nn(CC#N)c(=O)n1-c1ccccc1
-Autofluoresence,1776,1447087,Cc1nnc(N(Cc2ccco2)C(=O)c2ccc(C#N)cc2)s1
-Autofluoresence,1776,1441832,Clc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1
-Autofluoresence,1776,1420474,Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)COc2ccccc2)cc1
-Autofluoresence,1776,1419951,COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
-Autofluoresence,1776,1374183,O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCN(C(=O)c2ccco2)CC1
-Autofluoresence,1776,1366509,O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1
-Autofluoresence,1776,1366061,Cn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21
-Autofluoresence,1776,1324479,Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1
-Autofluoresence,1776,1312356,CC(C)Cn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N
-Autofluoresence,1776,1311854,CCN(CC)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1
-Autofluoresence,1776,1286190,CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1
-Autofluoresence,1776,1284327,O=C(Nc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1)c1ccco1
-Autofluoresence,1776,1266501,CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
-Autofluoresence,1776,1262361,O=C(CNC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
-Autofluoresence,1776,1253137,CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1
-Autofluoresence,1776,1240391,Nc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
-Autofluoresence,1776,1234036,CC1(C)NOC(=O)c2ccccc2N1
-Autofluoresence,1776,1222403,Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br
-Autofluoresence,1776,1212491,O=C(NNC1=NCCC1)c1ccc(Br)cc1
-Autofluoresence,1776,1194512,CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C1CCCCC1
-Autofluoresence,1776,1152811,O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NCc1ccccc1
-Autofluoresence,1776,1143291,COc1ccccc1N1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1
-Autofluoresence,1776,1141652,CCNC(=S)N(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O
-Autofluoresence,1776,1121690,N#Cc1cccc(NC(=O)CC2CCCCC2)c1
-Autofluoresence,1776,1120944,CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1
-Autofluoresence,1776,1120943,CCc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1
-Autofluoresence,1776,1111037,O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1
-Autofluoresence,1776,1105872,c1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1
-Autofluoresence,1776,1077636,CC(=O)c1cc(F)c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C
-Autofluoresence,1776,1069645,COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(Br)c1O
-Autofluoresence,1776,1037069,CCOC(=O)c1c(C)n(Cc2ccc3c(c2)OCO3)c2ccc(O)cc12
-Autofluoresence,1776,978039,CCCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1
-Autofluoresence,1776,971203,CSc1cccc(NC(=O)CSc2nnc(C)s2)c1
-Autofluoresence,1776,953792,CCn1nnc(NC(=O)c2cccnc2Cl)n1
-Autofluoresence,1776,943638,O=C(Oc1cccnc1)c1cccc(Cl)c1
-Autofluoresence,1776,937978,CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cnccn1
-Autofluoresence,1776,934399,O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1
-Autofluoresence,1776,930113,Cc1ccccc1-n1nc(C(=O)O)c(C)c(C#N)c1=O
-Autofluoresence,1776,920424,CCCc1nnc(NC(=O)c2ccncc2)s1
-Autofluoresence,1776,904602,CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O
-Autofluoresence,1776,903545,Cc1sc(NC(=O)c2cccs2)c(C(=O)OC(C)C)c1C
-Autofluoresence,1776,903440,COC(=O)Nc1ccc2c(c1)OCO2
-Autofluoresence,1776,901910,NS(=O)(=O)c1cccnc1Nc1c(Cl)cccc1Cl
-Autofluoresence,1776,900091,CCOC(=O)CSc1nccc(N(C)C)c1C#N
-Autofluoresence,1776,898944,Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)o2)o1
-Autofluoresence,1776,891422,O=C(OCc1ccc(Cl)c(Cl)c1)c1cnccn1
-Autofluoresence,1776,861432,O=C(CSC1=NCCS1)N1CCOCC1
-Autofluoresence,1776,853762,N#CCC(=O)Nc1ccccc1C(=O)O
-Autofluoresence,1776,844737,Cc1cc(C)n(C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1
-Autofluoresence,1776,844225,Cc1occc1C(=O)NN=C1C2CC3CC(C2)CC1C3
-Autofluoresence,1776,841657,Cn1ncc(Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
-Autofluoresence,1776,838666,CC(C)NC(=O)CSCc1c(F)cccc1Cl
-Autofluoresence,1776,829486,O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccn1
-Autofluoresence,1776,826924,CC(C)(C)c1cc(C(=O)Nc2ccccc2)ccn1
-Autofluoresence,1776,826703,S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1
-Autofluoresence,1776,826306,Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl
-Autofluoresence,1776,823064,O=c1c2ccccc2nc(-c2ccco2)n1-c1cccnc1
-Autofluoresence,1776,819380,Cc1nn(CC(=O)O)c(=O)c2ccccc12
-Autofluoresence,1776,800730,Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1
-Autofluoresence,1776,796581,CCOc1ccc2nc(SCC(=O)c3ccccc3)sc2c1
-Autofluoresence,1776,790849,CSc1ccc(Cl)c(C(=O)NCc2ccco2)c1
-Autofluoresence,1776,778071,Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccc(CC(=O)O)cc1
-Autofluoresence,1776,776183,CC(C)(C)c1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1
-Autofluoresence,1776,767765,O=C(CCn1c(=O)sc2ccccc21)NCc1ccco1
-Autofluoresence,1776,767169,O=C(O)CCNc1cc2ccccc2cc1C(=O)O
-Autofluoresence,1776,755926,Cc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1
-Autofluoresence,1776,755299,CCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
-Autofluoresence,1776,747722,O=C(O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O
-Autofluoresence,1776,743768,Cc1ccc(C(=O)O)cc1NC(=O)c1cccs1
-Autofluoresence,1776,743491,COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
-Autofluoresence,1776,741762,CCN(CC)c1ccc(/C=C2\C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
-Autofluoresence,1776,740952,Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
-Autofluoresence,1776,737967,FC(F)(F)c1ccc(-n2ccnc2)nc1
-Autofluoresence,1776,735091,Nc1nc(-c2ccc3c(c2)CCCC3)cs1
-Autofluoresence,1776,733289,CCOC(=O)c1c(NC(=O)COC)sc(C)c1C
-Autofluoresence,1776,722895,O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1
-Autofluoresence,1776,721294,Cc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12
-Autofluoresence,1776,721057,Cc1cc(N2CCOCC2)nc(NCc2ccccc2)n1
-Autofluoresence,1776,716415,CC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
-Autofluoresence,1776,712753,O=c1c2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]n1-c1ccccc1
-Autofluoresence,1776,706391,C=CCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21
-Autofluoresence,1776,703785,CCOC(=O)c1cnn(-c2ccc(C)cc2)c1N
-Autofluoresence,1776,701004,CN(C)C(=O)c1nc(C#N)c(N(C)C)o1
-Autofluoresence,1776,699769,COc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1
-Autofluoresence,1776,685191,CC1(C)CC(=O)C=C(Nc2ccccc2F)C1
-Autofluoresence,1776,668303,Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
-Autofluoresence,1776,667407,CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1
-Autofluoresence,1776,667281,CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1
-Autofluoresence,1776,666997,Cc1cc2oc(=O)cc(Cn3ccnc3)c2cc1C
-Autofluoresence,1776,666735,Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21
-Autofluoresence,1776,665888,O=C(CCCc1nc(-c2ccccc2)no1)N1CCOCC1
-Autofluoresence,1776,665461,CC(C)Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O
-Autofluoresence,1776,665460,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl
-Autofluoresence,1776,665424,Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O
-Autofluoresence,1776,665296,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1
-Autofluoresence,1776,665093,C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
-Autofluoresence,1776,665082,O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,1776,665077,CCCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,1776,664790,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC2CCCO2)c1
-Autofluoresence,1776,663475,CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1
-Autofluoresence,1776,662365,CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F
-Autofluoresence,1776,661327,Cc1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12
-Autofluoresence,1776,661195,O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21
-Autofluoresence,1776,661036,OCC#CCSc1nnc(-c2ccncc2)o1
-Autofluoresence,1776,659726,COc1ccccc1-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O
-Autofluoresence,1776,655560,O=C(Nc1nc2c(s1)CCCC2=O)c1cnccn1
-Autofluoresence,1776,655367,CN(CCO)C(=O)c1cccc2c1-c1ccccc1C2=O
-Autofluoresence,1776,655090,CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1
-Autofluoresence,1776,654962,Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1
-Autofluoresence,1776,654866,O=C(CN1CCOCC1)n1c2ccccc2c2ccccc21
-Autofluoresence,1776,654459,COc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC
-Autofluoresence,1776,654431,CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
-Autofluoresence,1776,654072,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCS1
-Autofluoresence,1776,654037,CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C
-Autofluoresence,1776,653520,Fc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1
-Autofluoresence,1776,653323,CC(C)C(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1
-Autofluoresence,1776,653203,CCOc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2
-Autofluoresence,1776,653182,CCCC(CCC(=O)OC)(C(=O)OCC)c1csc(N)n1
-Autofluoresence,1776,653128,CCCCOCC(O)Cn1c(C)nc2ccccc21.O=C(O)C(=O)O
-Autofluoresence,1776,652967,COCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O
-Autofluoresence,1776,652686,COc1ccccc1NC(=O)N1CCCC1C(=O)NC12CC3CC(CC(C3)C1)C2
-Autofluoresence,1776,652652,OC(CNCc1ccco1)Cn1c2ccccc2c2ccccc21
-Autofluoresence,1776,652611,CC(C)C(c1nnnn1Cc1ccccc1)N1CCSCC1
-Autofluoresence,1776,651605,CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
-Autofluoresence,1776,650276,CC(C)Nc1c(N)c(=O)oc2ccccc12
-Autofluoresence,1776,650049,CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1.O=C(O)C(=O)O
-Autofluoresence,1776,650005,O=C(NC1CCCC1)C1C2C=CC(C2)C1C(=O)N1CCOCC1
-Autofluoresence,1776,649851,CC(=O)Nc1nnc(Cc2ccccc2)s1
-Autofluoresence,1776,649844,O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
-Autofluoresence,1776,649735,Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
-Autofluoresence,1776,649615,CC(C)=CCC(C)(C)C1OCCN1C(=O)Nc1ccccc1
-Autofluoresence,1776,648937,COc1ccc(Cl)cc1C(=O)Nc1nnn(C)n1
-Autofluoresence,1776,648837,CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1
-Autofluoresence,1776,648804,Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccn2)cc1
-Autofluoresence,1776,648736,COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1
-Autofluoresence,1776,648358,COc1cccc(-n2c(SCC#N)nnc2-c2cnccn2)c1
-Autofluoresence,1776,648346,CCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
-Autofluoresence,1776,648094,CCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1
-Autofluoresence,1776,647393,CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
-Autofluoresence,1776,647263,CCOc1ccc(-c2nn[nH]n2)cc1
-Autofluoresence,1776,647235,CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
-Autofluoresence,1776,647071,CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1
-Autofluoresence,1776,646732,CCc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1
-Autofluoresence,1776,646372,Cc1cnc(NC(=O)CSc2nnc(-c3cccs3)n2C)s1
-Autofluoresence,1776,646369,CN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
-Autofluoresence,1776,646324,O=S(=O)(NC1CCCCCCC1)c1cccs1
-Autofluoresence,1776,645780,Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1C
-Autofluoresence,1776,645436,c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3
-Autofluoresence,1776,645165,COc1ccc(NC(=O)c2coc3ccccc23)cc1OC
-Autofluoresence,1776,644611,COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
-Autofluoresence,1776,644411,Cc1ccccc1NC(=O)C1CCCN1C(=O)NC1CCCCC1
-Autofluoresence,1776,626866,COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1
-Autofluoresence,1776,620060,Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
-Autofluoresence,1776,612424,CCn1c(N)c(C(=O)NC)sc1=S
-Autofluoresence,1776,610088,CNC(=O)CC12CC3CC(CC(C3)C1)C2
-Autofluoresence,1776,608763,CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3
-Autofluoresence,1776,570268,NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1
-Autofluoresence,1776,545012,Cc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,1776,389699,N#Cc1c(N)oc(-c2ccccc2)c1-c1ccccc1
-Autofluoresence,1776,299417,COc1ccc(NC(=O)N2CCOCC2)cc1OC
-Autofluoresence,1776,280877,c1ccc(-c2onc3c2CCCC3)cc1
-Autofluoresence,1776,99955,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1
-Autofluoresence,1776,88976,CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
-Autofluoresence,1776,78735,COC(=O)c1cc(OC)c(OC)c(OC)c1N
-Autofluoresence,1776,72721,Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12
-Autofluoresence,1776,65047,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
-Autofluoresence,1776,33462,Nc1nc2ccc(O)cc2s1
-Autofluoresence,1776,31840,COc1cc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC
-Autofluoresence,1776,7135,COc1ccccc1NC(C)=O

CHAFF_individual_AIDs/pubchem_aid_1857_active_curated.csv

@@ -1,287 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,1857,3825,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
-Absorbance,1857,74083,O=C(O)c1cccc2c1C(=O)c1ccccc1-2
-Absorbance,1857,78723,O=C(O)c1ccccc1C(=O)c1cccc2ccccc12
-Absorbance,1857,224665,NC(=O)SCC(=O)Nc1ccccc1C(=O)O
-Absorbance,1857,279160,O=P(O)(O)c1ccccc1OCc1ccccc1
-Absorbance,1857,291752,CCOC(=O)c1[nH]c(C(=O)O)c(CCC(=O)OC)c1C
-Absorbance,1857,302501,O=[N+]([O-])c1ccc(-c2ccccc2)c([As](=O)(O)O)c1
-Absorbance,1857,417125,Oc1[nH]c2ccccc2c1C=Nc1ccccc1
-Absorbance,1857,644804,COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
-Absorbance,1857,645288,O=C(O)c1cc2ccc3ccccc3c2[nH]1
-Absorbance,1857,648566,CC(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1857,648765,CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
-Absorbance,1857,654026,CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
-Absorbance,1857,655628,COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1857,657859,C=C(c1cccc2ccccc12)P(=O)(O)O
-Absorbance,1857,660017,S=c1[nH]nc(-c2ccco2)n1C1CCCCC1
-Absorbance,1857,660524,S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
-Absorbance,1857,660619,S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
-Absorbance,1857,660693,CCCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2
-Absorbance,1857,660813,S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12
-Absorbance,1857,661669,COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC
-Absorbance,1857,662306,COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC
-Absorbance,1857,664602,O=C(O)C1Sc2[nH]c(=O)sc2C2c3cc(Cl)ccc3OC(=O)C12
-Absorbance,1857,695270,Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1
-Absorbance,1857,695345,S=c1[nH]nc(-c2cccnc2)n1C1CCCCC1
-Absorbance,1857,695551,Oc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
-Absorbance,1857,724058,O=C(O)C(NC(=O)c1ccccc1)=C(Cl)Cl
-Absorbance,1857,746519,O=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1
-Absorbance,1857,749059,Cc1ccc(-c2cn3c(=S)[nH]nc3s2)cc1
-Absorbance,1857,750688,Cc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1
-Absorbance,1857,752419,CC(C)Cn1c(-c2ccccc2F)n[nH]c1=S
-Absorbance,1857,752826,Cc1ccc(-n2c(-c3nn(C)c(C)c3Cl)n[nH]c2=S)cc1
-Absorbance,1857,752855,Cc1ccc(-n2c(-c3nn(C)cc3Cl)n[nH]c2=S)cc1
-Absorbance,1857,752859,Cn1cc(Cl)c(-c2n[nH]c(=S)n2-c2ccccc2)n1
-Absorbance,1857,755506,O=C(O)c1ccccc1C(=O)c1cc(F)ccc1F
-Absorbance,1857,764374,Cc1cccc(-c2n[nH]c(=S)n2-c2ccccc2)c1[N+](=O)[O-]
-Absorbance,1857,767260,C=C(C)Cn1c(-c2cccs2)n[nH]c1=S
-Absorbance,1857,803041,Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1
-Absorbance,1857,822882,Cc1n[nH]c(=S)n1-c1cccc(Cl)c1
-Absorbance,1857,829349,Cc1cccc(-n2c(C)n[nH]c2=S)c1C
-Absorbance,1857,841627,Cc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
-Absorbance,1857,843761,CC(C)Cn1c(-c2ccco2)n[nH]c1=S
-Absorbance,1857,843893,Cc1ccsc1-c1n[nH]c(=S)n1CC(C)C
-Absorbance,1857,844228,CC(C)Oc1ccc(Cn2c(-c3ccco3)n[nH]c2=S)cc1
-Absorbance,1857,855142,CCCn1c(C(C)C)n[nH]c1=S
-Absorbance,1857,863498,Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3
-Absorbance,1857,863515,COc1ccccc1-n1c(-c2ccccc2)n[nH]c1=S
-Absorbance,1857,864561,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
-Absorbance,1857,878953,CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)cc12
-Absorbance,1857,890597,O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(F)c1
-Absorbance,1857,891188,O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1
-Absorbance,1857,899068,CSc1nc2sc3c(c2c(=S)[nH]1)CC(C)(C)OC3
-Absorbance,1857,902207,Cc1oc2ccc(Br)cc2c(=O)c1-c1nn[nH]n1
-Absorbance,1857,920396,CCOC(=O)c1ccccc1N/C=C1\CCCCC1=O
-Absorbance,1857,934665,Cc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1
-Absorbance,1857,944813,O=C(O)c1ncsc1-c1ccccc1
-Absorbance,1857,945654,CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
-Absorbance,1857,973894,COc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
-Absorbance,1857,998503,COc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1
-Absorbance,1857,998799,Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]
-Absorbance,1857,998946,Cc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1
-Absorbance,1857,1043976,COc1ccc2c(c1)c(=O)c(C(=O)O)c(-c1ccc3c(c1)OCO3)n2C
-Absorbance,1857,1312855,Cc1cc(OCc2cc(C(=O)O)oc2C)c2c3c(c(=O)oc2c1)CCCC3
-Absorbance,1857,1384449,Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4s3)nc2n1
-Absorbance,1857,1418929,O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
-Absorbance,1857,1427313,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4ccc(C(=O)O)cc4C3=O)c2c1
-Absorbance,1857,1437874,CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
-Absorbance,1857,1448423,COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1
-Absorbance,1857,1470434,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NC1CCCC1
-Absorbance,1857,1472062,O=C(O)c1c(C(=O)O)c(-c2ccc(Br)cc2)n2c1CSC2
-Absorbance,1857,1472063,Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
-Absorbance,1857,1473302,O=c1c(-c2n[nH]c(=S)n2-c2ccccc2)cccn1Cc1cccc(Cl)c1
-Absorbance,1857,1474515,S=c1[nH]nc(-c2ccc3ncccc3c2)n1-c1ccc2c(c1)OCCO2
-Absorbance,1857,1481298,CCn1c(-c2nn(-c3ccccc3)ccc2=O)n[nH]c1=S
-Absorbance,1857,1481299,CCn1c(-c2nn(-c3ccc(C)cc3)ccc2=O)n[nH]c1=S
-Absorbance,1857,1482495,Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S
-Absorbance,1857,1482496,Cc1ccc(COc2ccsc2-c2n[nH]c(=S)n2C)cc1
-Absorbance,1857,1482500,Cn1c(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]c1=S
-Absorbance,1857,1482515,Cn1c(-c2sccc2OCc2cccc(C(F)(F)F)c2)n[nH]c1=S
-Absorbance,1857,1483473,CC(C)(C)c1ccc(COc2ccsc2C(=O)O)cc1
-Absorbance,1857,1485807,Cn1cc(-c2ccccc2C(=O)O)c(=O)c2cc(Cl)ccc21
-Absorbance,1857,1547995,O=C(O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
-Absorbance,1857,1548422,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2c1
-Absorbance,1857,1625680,Cc1nc(S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)O)n[nH]1
-Absorbance,1857,1627636,NNC(=S)Nc1cccc(-c2n[nH]c(=S)o2)c1
-Absorbance,1857,1767864,CCCCn1c(-c2ccco2)n[nH]c1=S
-Absorbance,1857,1768039,CCCCn1c(-c2ccoc2C)n[nH]c1=S
-Absorbance,1857,1768080,CCCCn1c(-c2sccc2C)n[nH]c1=S
-Absorbance,1857,1769642,Cc1cc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3
-Absorbance,1857,1783558,O=C1CCCC/C1=C/Nc1cccc(C(F)(F)F)c1
-Absorbance,1857,1824509,OCCCc1n[nH]c(=S)n1-c1ccccc1
-Absorbance,1857,1835925,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1OC
-Absorbance,1857,1839212,S=c1[nH]nc(-c2ccn[nH]2)n1-c1ccccc1Cl
-Absorbance,1857,1843069,Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)c(O)c1
-Absorbance,1857,1867009,O=C(COc1ccccc1Cl)NC(=S)Nc1ccccc1N1CCCC1
-Absorbance,1857,1867015,Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1
-Absorbance,1857,1868051,CSc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
-Absorbance,1857,1901715,Cc1c(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C
-Absorbance,1857,1952606,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1
-Absorbance,1857,2055738,C=CCn1c(C2CC2)n[nH]c1=S
-Absorbance,1857,2056018,Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
-Absorbance,1857,2122975,O=c1c2ccccc2nnn1Cc1nnc(-c2ccccc2Br)o1
-Absorbance,1857,2208886,CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1
-Absorbance,1857,2215497,C=CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S
-Absorbance,1857,2219373,CCCCn1c(-c2cccnc2)n[nH]c1=S
-Absorbance,1857,2229949,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3c(c12)CCC3
-Absorbance,1857,2237961,Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1
-Absorbance,1857,2360761,COc1ccc2c(C)cc3n[nH]c(=S)n3c2c1
-Absorbance,1857,2366372,CCCCCCn1c(-c2cccs2)n[nH]c1=S
-Absorbance,1857,2383141,S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
-Absorbance,1857,2383729,Cc1ccc(-c2csc3n[nH]c(=S)n23)cc1
-Absorbance,1857,2398093,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
-Absorbance,1857,2415319,O=C(O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3
-Absorbance,1857,2443264,Nc1cccc2c1C(=O)N(Cc1nnc(-c3ccccc3Br)o1)C2=O
-Absorbance,1857,2470561,S=c1[nH]nc(C2CC2)n1Cc1ccco1
-Absorbance,1857,2478591,S=c1[nH]nc(C2CC2)n1Cc1ccccc1
-Absorbance,1857,2496761,Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
-Absorbance,1857,2561818,O=C(O)/C=C/c1nnc2c3ccccc3cnn12
-Absorbance,1857,2729826,O=C1C(=O)N(O)C2CCCCC2N1O
-Absorbance,1857,2770869,CC12CCC(c3c(C(=O)O)nn(-c4ccccc4)c31)C2(C)C
-Absorbance,1857,2802177,O=C(O)C(C(=O)O)=C1C2CC3CC(C2)CC1C3
-Absorbance,1857,2813041,COc1cc2c(cc1OC)C(C)N(C(=O)c1nccnc1C(=O)O)CC2
-Absorbance,1857,2816425,S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
-Absorbance,1857,2823665,COCC(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
-Absorbance,1857,2829879,O=[N+]([O-])c1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
-Absorbance,1857,2836605,O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12
-Absorbance,1857,2842220,CC12CCCCC1N(O)C(=O)C(=O)N2O
-Absorbance,1857,2878774,O=C(O)C(c1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O
-Absorbance,1857,2892437,CC1CC(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1
-Absorbance,1857,2898516,CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(N(C)C)cc1
-Absorbance,1857,2906489,S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1
-Absorbance,1857,2908110,O=C(NC(=S)NCC1CCCO1)c1ccccc1Br
-Absorbance,1857,2946682,Fc1ccccc1-c1n[nH]c(=S)n1CC1CCCO1
-Absorbance,1857,2951249,COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
-Absorbance,1857,2951255,O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
-Absorbance,1857,2952565,O=C(c1ccc(Br)o1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
-Absorbance,1857,2981009,S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
-Absorbance,1857,2981931,CCN1CCN(CC(=O)n2c3c(c4ccccc42)CC(C)CC3)CC1
-Absorbance,1857,2985091,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)cc1
-Absorbance,1857,2998057,Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O
-Absorbance,1857,2998168,Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1
-Absorbance,1857,2998665,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)c1cc2ccccc2o1
-Absorbance,1857,2999116,CCOC(=O)N=S(N)(=O)c1ccc(Cl)cc1
-Absorbance,1857,2999456,CCOC(=O)N=S(N)(=O)c1ccccc1
-Absorbance,1857,2999948,Cc1cc(-c2ccco2)n2c(nc3ccccc32)c1C#N
-Absorbance,1857,3153481,Cc1ccc(C2=NN(C(=O)C3CCCO3)C(c3ccco3)C2)cc1
-Absorbance,1857,3164038,CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
-Absorbance,1857,3220527,CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1857,3220530,CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1857,3228302,CCCc1n[nH]c(=S)n1Cc1ccco1
-Absorbance,1857,3238188,Cc1ccccc1C(=O)c1cccn1CC(=O)O
-Absorbance,1857,3239187,Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
-Absorbance,1857,3239785,O=C(O)Cn1cccc1C(=O)c1ccccc1
-Absorbance,1857,3242434,CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
-Absorbance,1857,3244426,CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
-Absorbance,1857,3245548,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
-Absorbance,1857,3248551,O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
-Absorbance,1857,3262924,CC(C)Sc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
-Absorbance,1857,3268147,O=C(CSc1ncn[nH]1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
-Absorbance,1857,3323022,CC(NS(=O)(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1
-Absorbance,1857,3331652,CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S
-Absorbance,1857,3427057,CC(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(C)C(=O)O)ccc1-2)C(=O)O
-Absorbance,1857,3430261,Cc1ccsc1-c1n[nH]c(=S)n1C1CCCCC1
-Absorbance,1857,3452092,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1
-Absorbance,1857,3546573,CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1857,3565281,O=P(O)(O)c1ccccc1OCCOCCOCCOCCOc1ccccc1P(=O)(O)O
-Absorbance,1857,3587816,Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3
-Absorbance,1857,3623360,O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccccc1
-Absorbance,1857,3647024,COc1ccc(-n2c(=S)[nH]c3ccccc3c2=S)cc1
-Absorbance,1857,3652754,Cc1cc(OCC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2c3c(c(=O)oc2c1)CCC3
-Absorbance,1857,3693818,O=C(CC(C(=O)O)c1cccc(Cl)c1Cl)c1ccccc1
-Absorbance,1857,3725529,CCCCc1n[nH]c(=S)n1Cc1ccc(Cl)cc1
-Absorbance,1857,3725576,CCCCc1n[nH]c(=S)n1Cc1ccc(C)cc1
-Absorbance,1857,3729854,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2c(c1)OCCO2
-Absorbance,1857,3771607,CC1CCCCC1n1c(-c2cccnc2)n[nH]c1=S
-Absorbance,1857,3820260,Cc1cc(C)n(-c2nc(SCC(=O)O)c3c4c(sc3n2)COC(C)(C)C4)n1
-Absorbance,1857,3938248,Nc1nc(=S)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1
-Absorbance,1857,4075803,CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
-Absorbance,1857,4077979,CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(O)CNCCN(C)C)cc12
-Absorbance,1857,4087141,O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1
-Absorbance,1857,4151261,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccccc2)nn1C
-Absorbance,1857,4187843,O=C(Nc1ccc(-n2ccnc2P(=O)(O)c2ccccc2)cc1)c1ccccc1Cl
-Absorbance,1857,4302597,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccc(F)cc2)nn1C
-Absorbance,1857,4387167,CCC(c1n[nH]c(=S)n1-c1ccccc1)N(C)C
-Absorbance,1857,4766021,CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)cc3[N+](=O)[O-])C2SC1
-Absorbance,1857,4841384,CN(C)CCNS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1
-Absorbance,1857,4860066,O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1C1CC2CCC1C2
-Absorbance,1857,4870494,O=c1[nH]c2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2
-Absorbance,1857,4886931,S=c1[nH]nc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCCO2
-Absorbance,1857,5050469,CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S
-Absorbance,1857,5091579,O=P(O)(O)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
-Absorbance,1857,5166959,O=C(C1CCCO1)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
-Absorbance,1857,5170677,Cn1cc(Cl)c(-c2n[nH]c(=S)n2C2CCCCC2)n1
-Absorbance,1857,5336159,Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(=O)O)cc2)cc1
-Absorbance,1857,5389246,COc1ccc(OC)c(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1
-Absorbance,1857,5389251,COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1
-Absorbance,1857,5389282,COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)C2c2cc(OC)ccc2OC)cc1
-Absorbance,1857,5389373,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1
-Absorbance,1857,5389446,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
-Absorbance,1857,5529247,CCN=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3C(=O)O)o2)C(=O)N1CC
-Absorbance,1857,5636759,CN(C)c1cccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c1
-Absorbance,1857,5754840,O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]
-Absorbance,1857,5811072,O=C1C(=O)N(c2nccs2)C(c2ccccc2F)/C1=C(\O)c1ccc2c(c1)OCCO2
-Absorbance,1857,5860199,Cc1ccc(Cl)cc1N/C=C1\CCCC1=O
-Absorbance,1857,6010066,O=C1Nc2cc(C(=O)NCCCN3CCCC3)ccc2S/C1=C/c1ccccc1F
-Absorbance,1857,6010071,O=C1Nc2cc(C(=O)NCCCN3CCOCC3)ccc2S/C1=C/c1ccccc1F
-Absorbance,1857,6014154,O=C1Nc2cc(C(=O)NCCCN3CCOCC3)ccc2S/C1=C/c1cccc(Cl)c1
-Absorbance,1857,6023195,COc1ccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)cc1OC
-Absorbance,1857,6070887,CC1=Nc2ccc(C)cc2/C1=C/c1c(N)n2nc(CC(=O)N3CCOCC3)sc2nc1=O
-Absorbance,1857,6081455,COc1cccc(/C=C2\SC(=S)N(C(C(=O)O)c3ccccc3)C2=O)c1OC
-Absorbance,1857,6227326,O=C(O)C(c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S
-Absorbance,1857,6236321,O=C(O)CC/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1
-Absorbance,1857,6237804,O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1
-Absorbance,1857,6264791,COc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCCC4)cc3NC2=O)c1
-Absorbance,1857,6484630,C=CCn1c(-c2ccccc2OCC)n[nH]c1=S
-Absorbance,1857,6492818,O=C(CSc1cn[nH]n1)Nc1ccccc1C(=O)O
-Absorbance,1857,6502653,O=Cc1c(NCc2ccc(Cl)cc2)c2ccccc2[nH]c1=O
-Absorbance,1857,6504188,Cc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
-Absorbance,1857,6569026,Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2oc1=O
-Absorbance,1857,6569385,CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
-Absorbance,1857,6569514,Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1
-Absorbance,1857,6569556,CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@@H]3C(=O)O)c12
-Absorbance,1857,6569645,CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
-Absorbance,1857,6569799,Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3
-Absorbance,1857,6858349,CC(=C/c1ccccc1)/C=N/n1c(-c2ccco2)n[nH]c1=S
-Absorbance,1857,6859377,O=C(O)c1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
-Absorbance,1857,6860017,CC(=C/c1ccccc1)/C=N/n1c(-c2ccncc2)n[nH]c1=S
-Absorbance,1857,6861279,O=C(O)COc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
-Absorbance,1857,6863578,CC(=C/c1ccccc1)/C=N/n1c(C)n[nH]c1=S
-Absorbance,1857,6863594,CCc1n[nH]c(=S)n1/N=C/C(C)=C\c1ccccc1
-Absorbance,1857,6881403,O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(-c2ccccc2F)n[nH]c1=S
-Absorbance,1857,6881583,CC(/C=N/n1c(-c2ccco2)n[nH]c1=S)=C\c1ccccc1
-Absorbance,1857,6882903,COc1cc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc(OC)c1OC
-Absorbance,1857,6905027,CCc1n[nH]c(=S)n1/N=C/c1ccc(NC(C)=O)cc1
-Absorbance,1857,7190957,O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
-Absorbance,1857,7190975,Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
-Absorbance,1857,7191297,O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
-Absorbance,1857,7852898,COc1ccccc1C(=O)COC(=O)/C=C/c1ccccc1
-Absorbance,1857,8016217,Cc1c(C)c2c(OCC(=O)N[C@@H](C)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
-Absorbance,1857,8016786,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,8481773,Cc1cccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c1
-Absorbance,1857,8481799,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
-Absorbance,1857,8481811,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
-Absorbance,1857,8481902,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccco1
-Absorbance,1857,8482110,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccco1
-Absorbance,1857,8483299,O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1Cl
-Absorbance,1857,9117452,O=C(O)C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2s1
-Absorbance,1857,9606483,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C(c2ccccc2)c2ccccc2)c1
-Absorbance,1857,9634160,COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC1C(=O)NN=C1C
-Absorbance,1857,9636377,COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1
-Absorbance,1857,9643280,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C2CC=CCC2)c1
-Absorbance,1857,9645220,CC(/C=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
-Absorbance,1857,9667346,O=[N+]([O-])c1ccc(N2CCCC2)cc1N/N=C1\CN2CCC1CC2
-Absorbance,1857,9690684,O=[N+]([O-])c1ccccc1/C=N/n1c(C(F)(F)F)n[nH]c1=S
-Absorbance,1857,11834391,Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1
-Absorbance,1857,11834392,COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2NC(=O)c2cccs2)cc1
-Absorbance,1857,11920923,Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,16187921,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1
-Absorbance,1857,16405902,CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
-Absorbance,1857,16406199,Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,16406618,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,16406742,CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,16406775,CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)O
-Absorbance,1857,16406859,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](CSC)C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1857,16406876,Cc1c(C)c2c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
-Absorbance,1857,16406937,Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
-Absorbance,1857,17575633,CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1
-Absorbance,1857,18561114,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccc(F)cc1
-Absorbance,1857,24789620,Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCOCC4)cc3NC2=O)c1
-Absorbance,1857,24792848,CCN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(OC)c(OC)c2)S3)CC1
-Absorbance,1857,24792850,O=C1Nc2cc(C(=O)NCCCN3CCCC3)ccc2S/C1=C\c1ccccc1
-Absorbance,1857,24793641,O=C1Nc2cc(C(=O)N3CCC(N4CCCCC4)CC3)ccc2S/C1=C\c1ccccc1
-Absorbance,1857,24892229,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC1CCCC1
-Absorbance,1857,24892232,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCC1CCCO1
-Absorbance,1857,24892371,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCC1CCCO1
-Absorbance,1857,24892372,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCc1ccco1
-Absorbance,1857,24892373,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCC1CCCO1
-Absorbance,1857,24892569,O=C(CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1)NCC1CCCO1
-Absorbance,1857,24892667,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
-Absorbance,1857,44601849,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1
-Absorbance,1857,45105904,O=C(O)c1cccc(NC(=S)N/N=C/c2cccc(O)c2)c1
-Absorbance,1857,56642947,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1
-Absorbance,1857,135402200,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
-Absorbance,1857,135444051,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br
-Absorbance,1857,135536433,Cc1c(Br)c(O)c(Br)c(O)c1/C=N/n1c(-c2ccccc2)n[nH]c1=S
-Absorbance,1857,135536561,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(O)c1Br

CHAFF_individual_AIDs/pubchem_aid_1891_active_curated.csv

@@ -1,429 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,1891,4878,CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
-Luciferase Inhibition,1891,6320,O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2O)cc1
-Luciferase Inhibition,1891,39508,CCOC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,1891,88733,Nc1ccc(-c2nc3ccccc3o2)cc1
-Luciferase Inhibition,1891,93271,O=C(c1ccccc1)c1ccc2cc(O)ccc2c1
-Luciferase Inhibition,1891,95745,Oc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1891,153617,Clc1ccc(-c2nc3ccncc3[nH]2)cc1
-Luciferase Inhibition,1891,206388,CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1891,242605,Oc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,1891,242962,c1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,1891,249097,c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
-Luciferase Inhibition,1891,256444,O=[N+]([O-])c1ccc(N=Nc2c(Cl)cc(O)cc2Cl)cc1
-Luciferase Inhibition,1891,279122,COc1ccc(-c2cc(-c3ccccc3)no2)cc1
-Luciferase Inhibition,1891,345777,c1ccc(-c2nc3c(ccc4ccccc43)[nH]2)nc1
-Luciferase Inhibition,1891,346046,COc1ccc(C(=O)Nc2cccc(C)c2)cc1
-Luciferase Inhibition,1891,372186,COc1cccc2nc3cc(C)c(C)cc3nc12
-Luciferase Inhibition,1891,379338,COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1
-Luciferase Inhibition,1891,387104,Brc1ccc(N=Nc2ccc3ccccc3n2)cc1
-Luciferase Inhibition,1891,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,1891,487737,COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1
-Luciferase Inhibition,1891,542899,Nc1ccc(-c2nc3ccc(N)cc3o2)cc1
-Luciferase Inhibition,1891,571869,Cc1ccc(N=Nc2cc(C)ccc2N)cc1
-Luciferase Inhibition,1891,573876,COc1ccc(NC(=O)c2cccs2)cc1
-Luciferase Inhibition,1891,581679,O=[N+]([O-])c1cc(N=Nc2ccc3ccccc3c2)ccc1O
-Luciferase Inhibition,1891,620319,COc1cccc(-c2cn3nc(C)c(C)nc3n2)c1
-Luciferase Inhibition,1891,646533,c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
-Luciferase Inhibition,1891,648801,COc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
-Luciferase Inhibition,1891,649319,Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1
-Luciferase Inhibition,1891,649492,Cn1c(-c2ccco2)nc2cc3ccccc3cc21
-Luciferase Inhibition,1891,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,1891,653744,Cc1ncsc1C(=O)Nc1nc2c(s1)CCCC2
-Luciferase Inhibition,1891,656379,CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
-Luciferase Inhibition,1891,657882,COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
-Luciferase Inhibition,1891,660507,C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
-Luciferase Inhibition,1891,664255,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1
-Luciferase Inhibition,1891,664856,Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1
-Luciferase Inhibition,1891,665006,COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1
-Luciferase Inhibition,1891,665653,COc1cc2c(cc1OC)-c1cc(Nc3ccc4c(c3)OCCO4)nc(=O)n1CC2
-Luciferase Inhibition,1891,665971,COc1cccc(-c2noc(-c3cccs3)n2)c1
-Luciferase Inhibition,1891,666711,CCC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1
-Luciferase Inhibition,1891,671015,COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC
-Luciferase Inhibition,1891,677768,CCN(CC)c1ccc(/C=C(\C#N)C(N)=S)cc1
-Luciferase Inhibition,1891,679717,CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1
-Luciferase Inhibition,1891,705937,COC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)cc1O
-Luciferase Inhibition,1891,705951,COC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O
-Luciferase Inhibition,1891,708625,COc1ccccc1C(=O)Nc1nc2ccccc2s1
-Luciferase Inhibition,1891,718725,COc1ccc(-c2nc(-c3cccs3)no2)cc1
-Luciferase Inhibition,1891,720999,Nc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,1891,723043,c1ccc2nc(-c3nc4ccccc4o3)ccc2c1
-Luciferase Inhibition,1891,727588,O=c1c2ccccc2cnn1-c1nc2ccccc2[nH]1
-Luciferase Inhibition,1891,730507,COc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1
-Luciferase Inhibition,1891,732622,CCOc1ccc(OCC(=O)Nc2nccs2)cc1
-Luciferase Inhibition,1891,739245,O=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21
-Luciferase Inhibition,1891,739343,CCOc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,1891,748350,O=C(Nc1ccccn1)c1cc2ccccc2o1
-Luciferase Inhibition,1891,754510,COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1
-Luciferase Inhibition,1891,754796,COc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1
-Luciferase Inhibition,1891,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,1891,763882,Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,1891,767861,Nc1cc2sc(-c3ccc(C(=O)O)cc3)nc2cc1Cl
-Luciferase Inhibition,1891,784811,Cc1ccc(-c2noc(-c3cccs3)n2)cc1
-Luciferase Inhibition,1891,788928,COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1
-Luciferase Inhibition,1891,789864,COc1cccc(-c2nc(-c3ccccn3)no2)c1
-Luciferase Inhibition,1891,789893,COc1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,1891,789961,COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1
-Luciferase Inhibition,1891,793586,Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N
-Luciferase Inhibition,1891,793991,CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
-Luciferase Inhibition,1891,798302,Cc1ccccc1-c1noc(-c2ccc(O)cc2)n1
-Luciferase Inhibition,1891,803159,CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1
-Luciferase Inhibition,1891,804588,Cc1cc(N)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1
-Luciferase Inhibition,1891,806045,COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1OC
-Luciferase Inhibition,1891,821516,COc1ccc(NC(=O)c2ccccn2)cc1
-Luciferase Inhibition,1891,828003,COc1ccc(-c2cn3ccc(C)cc3n2)cc1
-Luciferase Inhibition,1891,829334,Cc1nc2sc(-c3ccccc3)cc2c(=O)n1N
-Luciferase Inhibition,1891,829934,N#Cc1nc(Cc2ccccc2)oc1N1CCCC1
-Luciferase Inhibition,1891,837868,CCCc1ccc(-c2ccc(F)c(N)c2)nc1
-Luciferase Inhibition,1891,838877,c1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1
-Luciferase Inhibition,1891,843446,COc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl
-Luciferase Inhibition,1891,843457,COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl
-Luciferase Inhibition,1891,844341,CCOc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1
-Luciferase Inhibition,1891,844700,COC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
-Luciferase Inhibition,1891,846401,CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C
-Luciferase Inhibition,1891,848952,CSc1nc2sc(-c3ccccc3)cc2c(=O)n1N
-Luciferase Inhibition,1891,850331,COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1
-Luciferase Inhibition,1891,850352,COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1
-Luciferase Inhibition,1891,853790,O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O
-Luciferase Inhibition,1891,853791,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)O
-Luciferase Inhibition,1891,853792,O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)O
-Luciferase Inhibition,1891,854418,COc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
-Luciferase Inhibition,1891,870214,Cc1ccc(-c2nc3ccccc3[nH]2)s1
-Luciferase Inhibition,1891,875821,O=C(/C=C/c1ccccc1Cl)Nc1ccncc1
-Luciferase Inhibition,1891,877917,O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1
-Luciferase Inhibition,1891,879397,Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1
-Luciferase Inhibition,1891,880692,Cc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
-Luciferase Inhibition,1891,885280,Cc1ccc(C(=O)ONc2ccc(N=O)cc2)cc1
-Luciferase Inhibition,1891,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,1891,892017,c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1
-Luciferase Inhibition,1891,893436,O=C(O)c1ccc(COc2cccc(CO)c2)cc1
-Luciferase Inhibition,1891,893667,Cc1nc2cc(NC(=O)Nc3ccccc3Cl)ccc2n1C
-Luciferase Inhibition,1891,894122,Cc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C
-Luciferase Inhibition,1891,894713,COc1ccc(NC(=O)N2CCc3ccccc32)cc1
-Luciferase Inhibition,1891,897120,COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C
-Luciferase Inhibition,1891,897255,Cc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1
-Luciferase Inhibition,1891,897579,Cc1ccnc(NC(=O)c2ccoc2C)c1
-Luciferase Inhibition,1891,898510,COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C
-Luciferase Inhibition,1891,900061,COc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1
-Luciferase Inhibition,1891,900711,O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1
-Luciferase Inhibition,1891,901329,Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)O)c1
-Luciferase Inhibition,1891,917269,Oc1c(N=Nc2ccccc2)sc2ccccc12
-Luciferase Inhibition,1891,934441,Cc1nc(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)n[nH]1
-Luciferase Inhibition,1891,971277,CCOc1ccc(NC(=O)Nc2cc(C)ccc2F)cc1
-Luciferase Inhibition,1891,972050,COC(=O)c1sccc1NC(=O)Nc1ccc(OC)c(OC)c1
-Luciferase Inhibition,1891,972844,CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1
-Luciferase Inhibition,1891,973260,COc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1
-Luciferase Inhibition,1891,973395,O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccc(O)cc12
-Luciferase Inhibition,1891,974029,c1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1
-Luciferase Inhibition,1891,975375,CN(c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O
-Luciferase Inhibition,1891,977647,Cc1ccc2cccc(S(=O)(=O)N3CCCc4ccccc43)c2n1
-Luciferase Inhibition,1891,1014103,CC(C)c1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,1039883,COc1ncnc2sc(-c3ccccc3)cc12
-Luciferase Inhibition,1891,1080952,O=C(Nc1nnc(-c2cccnc2)s1)c1cccs1
-Luciferase Inhibition,1891,1090057,Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1
-Luciferase Inhibition,1891,1093889,COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC
-Luciferase Inhibition,1891,1121741,COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
-Luciferase Inhibition,1891,1220296,Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,1244329,COC(=O)c1c(-c2cccnc2)csc1NC(=O)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1891,1245272,COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,1891,1247300,Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1
-Luciferase Inhibition,1891,1286715,CCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1
-Luciferase Inhibition,1891,1471355,Cc1ccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)cc1
-Luciferase Inhibition,1891,1472976,c1ccc2nc(-c3ccc(N4CCOCC4)cc3)ccc2c1
-Luciferase Inhibition,1891,1489560,O=Nc1c2cc(-c3ccccc3)[nH]nc-2c2ccccc12
-Luciferase Inhibition,1891,1505210,Fc1ccccc1Nc1nc2ccccc2o1
-Luciferase Inhibition,1891,1516852,Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1
-Luciferase Inhibition,1891,1559440,O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccccc21
-Luciferase Inhibition,1891,1580155,COCCNC(=O)/C(C#N)=C/c1ccc(O)cc1
-Luciferase Inhibition,1891,1715046,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2ccccc21
-Luciferase Inhibition,1891,1767363,CCNC(=S)NNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12
-Luciferase Inhibition,1891,1767542,CCCOc1cccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)c1
-Luciferase Inhibition,1891,1767610,CCNC(=S)NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12
-Luciferase Inhibition,1891,1767747,CCNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
-Luciferase Inhibition,1891,1768116,CCCCOc1cccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)c1
-Luciferase Inhibition,1891,1898255,O=C(Nc1cccc(O)c1)C(=O)Nc1ccccn1
-Luciferase Inhibition,1891,1907983,Cc1ccc(C(=O)/C=C/Nc2ccccn2)cc1
-Luciferase Inhibition,1891,1927485,COc1ccc(C(=O)/C=C/Nc2cc(C)ccn2)cc1
-Luciferase Inhibition,1891,1930042,COc1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1
-Luciferase Inhibition,1891,1932592,COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
-Luciferase Inhibition,1891,1952758,Clc1ccccc1Nc1nnc(-c2ccncc2)s1
-Luciferase Inhibition,1891,1980018,CN(C)c1ccc(N/C=C/C(=O)c2ccco2)cc1
-Luciferase Inhibition,1891,2084198,Cc1ccsc1C(=O)Nc1nc2ccccc2[nH]1
-Luciferase Inhibition,1891,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,1891,2122048,Cn1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1=O
-Luciferase Inhibition,1891,2165163,CCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
-Luciferase Inhibition,1891,2166675,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F
-Luciferase Inhibition,1891,2179534,COc1cccc(C(=O)/C=C/Nc2cccc(O)c2)c1
-Luciferase Inhibition,1891,2188632,CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1
-Luciferase Inhibition,1891,2189851,COc1ccc(N/C=C/C(=O)c2ccccc2)cc1
-Luciferase Inhibition,1891,2190777,NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl
-Luciferase Inhibition,1891,2190927,CN(C)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1
-Luciferase Inhibition,1891,2196832,O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccco1
-Luciferase Inhibition,1891,2196922,O=C(/C=C/Nc1ccc(F)cc1F)c1ccco1
-Luciferase Inhibition,1891,2197085,O=C(/C=C/Nc1ccc(Br)cc1F)c1ccco1
-Luciferase Inhibition,1891,2210642,O=C(/C=C/Nc1ccc(Br)cc1F)c1cccs1
-Luciferase Inhibition,1891,2210693,O=C(/C=C/Nc1ccc(F)cc1F)c1cccs1
-Luciferase Inhibition,1891,2210959,Cc1ccc(N/C=C/C(=O)c2cccs2)cc1
-Luciferase Inhibition,1891,2211223,Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
-Luciferase Inhibition,1891,2212375,O=C(/C=C/Nc1ccccc1F)c1cccs1
-Luciferase Inhibition,1891,2225156,O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C(c1ccccc1)c1ccccc1
-Luciferase Inhibition,1891,2225486,COC(=O)c1sc(NC(=O)c2c(C)noc2C)nc1C
-Luciferase Inhibition,1891,2233682,CC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1
-Luciferase Inhibition,1891,2239351,CN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)cc2)nc(N(C)C)n1
-Luciferase Inhibition,1891,2244116,O=C(/C=C/Nc1ccc(Br)cc1F)c1ccccc1
-Luciferase Inhibition,1891,2246727,CCOc1ccc(N/C=C/C(=O)c2ccccc2)cc1
-Luciferase Inhibition,1891,2248499,O=C1/C(=C/Nc2ccc3c(c2)OCO3)CCc2ccccc21
-Luciferase Inhibition,1891,2252810,O=C(/C=C/Nc1ccc(F)cc1Br)c1ccccc1
-Luciferase Inhibition,1891,2260658,O=C(/C=C/Nc1ccccc1Br)c1ccccn1
-Luciferase Inhibition,1891,2267974,O=C(/C=C/Nc1ccccc1F)c1ccc(Br)cc1
-Luciferase Inhibition,1891,2291052,COc1ccc(C(=O)/C=C/Nc2cccc(O)c2)cc1
-Luciferase Inhibition,1891,2291569,COc1ccc(OC)c(N/C=C/C(=O)c2ccccc2)c1
-Luciferase Inhibition,1891,2322773,COc1ccc(C(=O)N=c2nc3ccccn3s2)cc1
-Luciferase Inhibition,1891,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,1891,2354963,CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
-Luciferase Inhibition,1891,2374619,Cc1ccsc1/C=C1\CCc2ccccc2C1=O
-Luciferase Inhibition,1891,2408490,O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccn1
-Luciferase Inhibition,1891,2463754,Cc1cnc(NC(=O)c2ccccn2)s1
-Luciferase Inhibition,1891,2467100,Cc1csc(NC(=O)c2cn3ccccc3n2)n1
-Luciferase Inhibition,1891,2469877,Cc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)cc1
-Luciferase Inhibition,1891,2476715,CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
-Luciferase Inhibition,1891,2536883,COc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1
-Luciferase Inhibition,1891,2542040,COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1
-Luciferase Inhibition,1891,2558548,COc1cc(SC)ccc1C(=O)Nc1ncc(C)s1
-Luciferase Inhibition,1891,2677212,COc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C
-Luciferase Inhibition,1891,2764841,Cc1cccc(-c2cnn(-c3ccccc3)c2N)c1
-Luciferase Inhibition,1891,2764845,Cc1ccc(-c2cnn(-c3ccccc3)c2N)cc1
-Luciferase Inhibition,1891,2767220,O=c1oc(Nc2ccc(F)cc2)nc2ccccc12
-Luciferase Inhibition,1891,2767224,O=c1oc(Nc2cccc(Cl)c2)nc2ccccc12
-Luciferase Inhibition,1891,2768946,Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C
-Luciferase Inhibition,1891,2812756,CCc1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,1891,2814507,COc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1
-Luciferase Inhibition,1891,2815721,CC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N
-Luciferase Inhibition,1891,2819177,CSc1nc(N)n2nc(-c3ccccc3)cc2n1
-Luciferase Inhibition,1891,2819376,CSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1
-Luciferase Inhibition,1891,2823045,CCCS(=O)(=O)c1cnc(C2COc3ccccc3O2)nc1N
-Luciferase Inhibition,1891,2851304,CN(C)c1ccc(N=Nc2nc3ccccc3n2C)cc1
-Luciferase Inhibition,1891,2906460,Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1
-Luciferase Inhibition,1891,2941074,O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1
-Luciferase Inhibition,1891,2941429,O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1
-Luciferase Inhibition,1891,2953827,Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(=O)NC1CCCCC1
-Luciferase Inhibition,1891,2973043,Cc1ccc2oc(-c3cccc(NC(=O)C4CCCO4)c3)nc2c1
-Luciferase Inhibition,1891,2985532,O=C(NC(=O)c1ccccc1)Nc1ccccn1
-Luciferase Inhibition,1891,2988698,O=C(Nc1ccc(F)cc1)Nc1ccccc1F
-Luciferase Inhibition,1891,3126531,O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2
-Luciferase Inhibition,1891,3133485,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccnc2)cc1
-Luciferase Inhibition,1891,3142819,COc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
-Luciferase Inhibition,1891,3219385,Cc1ccc(CN(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1
-Luciferase Inhibition,1891,3237608,Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1
-Luciferase Inhibition,1891,3238201,Cc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2
-Luciferase Inhibition,1891,3241476,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1
-Luciferase Inhibition,1891,3241848,CC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
-Luciferase Inhibition,1891,3242847,c1c2c(cc3sc(N4CCOCC4)nc13)OCCO2
-Luciferase Inhibition,1891,3248930,COC(=O)c1ccc(NC(=O)C(=O)c2cccn2C)cc1
-Luciferase Inhibition,1891,3351955,CCOc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCS(=O)(=O)C2)cc1
-Luciferase Inhibition,1891,3406439,COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OCc1c(C)noc1C
-Luciferase Inhibition,1891,3662257,O=C(Nc1cccc(O)c1)c1cc(-c2ccc3c(c2)OCO3)on1
-Luciferase Inhibition,1891,3748066,COc1cc(O)oc1C=Nc1ccc(C(=O)O)cc1
-Luciferase Inhibition,1891,4053939,O=C(Nc1cccc(O)c1)c1noc2c1CCCCC2
-Luciferase Inhibition,1891,4194316,CCCCOc1ccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,4200159,CCOc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,4263090,CN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1
-Luciferase Inhibition,1891,4617342,O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,1891,4795103,CCS(=O)(=O)c1ccc2oc(Nc3ccccc3Cl)nc2c1
-Luciferase Inhibition,1891,4875472,C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1
-Luciferase Inhibition,1891,4880974,O=C(Nc1ccc(N2CCOCC2)cc1)c1cn2ccccc2n1
-Luciferase Inhibition,1891,4932006,CC(Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
-Luciferase Inhibition,1891,5033943,O=C(O)c1ccc(N=Nc2c(O)[nH]c3ccccc23)cc1
-Luciferase Inhibition,1891,5043693,O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1F
-Luciferase Inhibition,1891,5210304,Cn1c(N=Nc2ccccc2)nc2ccccc21
-Luciferase Inhibition,1891,5218788,Cc1ccc(O)c(N=Nc2ccccc2)n1
-Luciferase Inhibition,1891,5282361,O=C(/C=C/c1ccc(O)cc1)c1ccccc1
-Luciferase Inhibition,1891,5307892,CCn1c(C(=O)N2CCC(C(=O)NCCCSC3CCCCC3)CC2)cc2sccc21
-Luciferase Inhibition,1891,5308351,Cc1ccc(N2C(=O)c3ccccc3C2O)nc1
-Luciferase Inhibition,1891,5308364,COc1ccc(NC(=O)c2cc3ccccn3n2)cc1
-Luciferase Inhibition,1891,5310753,O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1
-Luciferase Inhibition,1891,5331963,COc1ccc(/C=N/N=C(\N)c2nonc2N)cc1
-Luciferase Inhibition,1891,5332708,N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
-Luciferase Inhibition,1891,5332842,Clc1nccnc1N/N=C/c1ccc(Br)cc1
-Luciferase Inhibition,1891,5332843,COc1ccccc1/C=N/Nc1nccnc1Cl
-Luciferase Inhibition,1891,5332845,Fc1ccc(/C=N/Nc2nccnc2Cl)cc1
-Luciferase Inhibition,1891,5338360,O=C(O)c1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1
-Luciferase Inhibition,1891,5338638,N/C(=N\N=C\c1cccc(O)c1)c1nonc1N
-Luciferase Inhibition,1891,5338745,COc1ccc(C(=O)O/N=C(\N)c2ccccc2)cc1
-Luciferase Inhibition,1891,5338754,Cc1ccccc1C(=O)O/N=C(\N)c1ccccc1
-Luciferase Inhibition,1891,5338831,COc1ccc(/C=N/Nc2cc(OC)ncn2)cc1
-Luciferase Inhibition,1891,5338835,COc1cc(N/N=C/c2ccc(N(C)C)cc2)ncn1
-Luciferase Inhibition,1891,5339351,COc1ccc(/C=N/NC(=O)c2nonc2C)cc1
-Luciferase Inhibition,1891,5339422,Cc1ccc(-c2nc(N/N=C/c3ccncc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,5339527,Cc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,5342258,CCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1
-Luciferase Inhibition,1891,5343193,N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccn1
-Luciferase Inhibition,1891,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,1891,5345697,O=C(/C=C\Nc1ccc2c(c1)OCO2)c1cccs1
-Luciferase Inhibition,1891,5346164,N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccccn1
-Luciferase Inhibition,1891,5347090,C(=N/Nc1nc2ccccc2[nH]1)\c1ccccn1
-Luciferase Inhibition,1891,5348249,Cc1occc1C(=O)O/N=C(\N)c1ccccc1
-Luciferase Inhibition,1891,5349217,Cc1cccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)c1
-Luciferase Inhibition,1891,5349700,CCCc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,1891,5349753,CCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,1891,5350572,C/C(=N/N=C/c1ccc(N(C)C)cc1)c1ccccc1
-Luciferase Inhibition,1891,5351116,Cc1ccc(C(=O)O/N=C(\N)c2ccccc2)c(Cl)c1
-Luciferase Inhibition,1891,5378081,CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1
-Luciferase Inhibition,1891,5393160,COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1OC
-Luciferase Inhibition,1891,5398663,O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O
-Luciferase Inhibition,1891,5400567,O=C(O)/C=C/c1cccc(NC(=O)c2ccccc2)c1
-Luciferase Inhibition,1891,5403890,O=C1N/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21
-Luciferase Inhibition,1891,5404075,CSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
-Luciferase Inhibition,1891,5410013,COc1ccc(C(=O)O/N=C(/C)c2cccs2)cc1
-Luciferase Inhibition,1891,5412057,COc1ccc(C(=O)O/N=C(\C)c2ccccc2)cc1
-Luciferase Inhibition,1891,5413038,O=C(c1ccccc1)c1cc2ccc(O)cc2oc1=O
-Luciferase Inhibition,1891,5708002,Clc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1
-Luciferase Inhibition,1891,5708003,C(=C/c1nc2ccccc2[nH]1)\c1ccccc1
-Luciferase Inhibition,1891,5708370,Cn1c(/C=C/c2ccccc2)nc2ccccc21
-Luciferase Inhibition,1891,5709318,O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1O
-Luciferase Inhibition,1891,5718167,CC(=O)Oc1ccc(/C=C/c2nc3ccccc3c(=O)o2)cc1
-Luciferase Inhibition,1891,5721129,COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1
-Luciferase Inhibition,1891,5723855,O=C(N/C(=C/c1cccc(Br)c1)c1nc(=S)[nH][nH]1)c1ccccc1
-Luciferase Inhibition,1891,5723970,O=C(O)c1ccc(/C=N\Nc2ccccn2)cc1
-Luciferase Inhibition,1891,5735198,COc1ccc(/C=C/c2nc3ccccc3n2C)cc1
-Luciferase Inhibition,1891,5738400,Clc1ccccc1/C=C/c1nc(-c2ccccn2)no1
-Luciferase Inhibition,1891,5767547,N/C(=N\OC(=O)c1ccccc1Cl)c1ccccn1
-Luciferase Inhibition,1891,5771326,COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1
-Luciferase Inhibition,1891,5886353,N/C(=N/OC(=O)c1ccccc1Cl)c1nonc1N
-Luciferase Inhibition,1891,5899948,Cc1ccc(/C=N/NC(=O)c2nn(C)cc2Cl)cc1
-Luciferase Inhibition,1891,6050443,Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1
-Luciferase Inhibition,1891,6079570,C/C(=N/OC(=O)c1ccc(C)cc1)c1cccs1
-Luciferase Inhibition,1891,6179462,C(=C/c1ccco1)\c1ccc2ccccc2n1
-Luciferase Inhibition,1891,6243882,CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2ccccc2)cc1
-Luciferase Inhibition,1891,6251331,Cc1cc(NC(=O)/C=C/c2ccccc2Cl)n(-c2nc3ccccc3[nH]2)n1
-Luciferase Inhibition,1891,6466607,CCc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)s1
-Luciferase Inhibition,1891,6466938,COC(=O)c1sccc1NC(=O)Nc1cccc(C)c1
-Luciferase Inhibition,1891,6468128,COc1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
-Luciferase Inhibition,1891,6471049,COC(=O)c1sccc1NC(=O)Nc1cccc(F)c1
-Luciferase Inhibition,1891,6471065,O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1
-Luciferase Inhibition,1891,6533452,COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1OC
-Luciferase Inhibition,1891,6868331,Oc1cccc(/C=N/Nc2nn3cnnc3c3ccccc23)c1
-Luciferase Inhibition,1891,6868901,Cc1occc1C(=O)N/N=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,1891,6870977,CSc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1
-Luciferase Inhibition,1891,6874518,CSc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1
-Luciferase Inhibition,1891,6878959,Cc1occc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1
-Luciferase Inhibition,1891,6879034,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccncc2)cc1OC
-Luciferase Inhibition,1891,6882683,Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1[nH]ncc1Br
-Luciferase Inhibition,1891,6885629,CCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC
-Luciferase Inhibition,1891,6886551,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccn2)cc1OC
-Luciferase Inhibition,1891,6895627,Cc1nonc1C(=O)N/N=C/c1cccc(O)c1
-Luciferase Inhibition,1891,7203047,O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1=COCCO1
-Luciferase Inhibition,1891,7502647,COc1ccc(-c2ccc(SC)nn2)cc1
-Luciferase Inhibition,1891,7502724,CCOc1ccc(-c2ccc(SC)nn2)cc1
-Luciferase Inhibition,1891,7586675,O=C(Nc1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
-Luciferase Inhibition,1891,7586727,CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1
-Luciferase Inhibition,1891,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,1891,9549585,N/C(=N\OC(=O)c1ccccc1Cl)c1cccnc1
-Luciferase Inhibition,1891,9550298,O=C(Nc1cccc(O)c1)c1noc2c1CCc1ccccc1-2
-Luciferase Inhibition,1891,9550873,Cc1ccnc(N2C(=O)c3ccccc3C2O)c1
-Luciferase Inhibition,1891,9563419,CN(C)c1ccc(/C=N/NC(=O)c2ccnn2C)cc1
-Luciferase Inhibition,1891,9564909,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC)cc1
-Luciferase Inhibition,1891,9564917,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)cc1
-Luciferase Inhibition,1891,9564922,O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(F)cc1
-Luciferase Inhibition,1891,9567018,COc1cccc(C(=O)O/N=C(\N)c2ccccn2)c1
-Luciferase Inhibition,1891,9567048,N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
-Luciferase Inhibition,1891,9567149,Brc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1
-Luciferase Inhibition,1891,9568800,C(=N/c1nc2ccccc2[nH]1)\c1cccs1
-Luciferase Inhibition,1891,9580624,COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1OC
-Luciferase Inhibition,1891,9580826,Cc1[nH]cnc1C(=O)N/N=C/c1c(Cl)cccc1Cl
-Luciferase Inhibition,1891,9582740,Cc1ccsc1/C=N/Nc1nc(=O)[nH]nc1C
-Luciferase Inhibition,1891,9585695,COc1ccc(/C=N/Nc2nccnc2Cl)cc1
-Luciferase Inhibition,1891,9585713,Fc1cccc(/C=N/Nc2nccnc2Cl)c1
-Luciferase Inhibition,1891,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,1891,9587146,Cc1cccc(/C(N)=N/OC(=O)c2ccoc2C)c1
-Luciferase Inhibition,1891,9587494,Cc1cccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCO3)c1
-Luciferase Inhibition,1891,9587509,Cc1cccc(/C(N)=N/OC(=O)c2ccccc2Cl)c1
-Luciferase Inhibition,1891,9590139,CN(C)c1ccc(/C=N/Nc2nncc3ccccc23)cc1
-Luciferase Inhibition,1891,9590987,COc1ccc(/C=N/Nc2nccnc2Cl)c(OC)c1
-Luciferase Inhibition,1891,9593459,COc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,1891,9600290,COc1ccc(/C=N/Nc2snc(SC)c2C#N)cc1OC
-Luciferase Inhibition,1891,9614768,CN(CCO)c1ccc(/C=N/Nc2nncc3ccccc23)cc1
-Luciferase Inhibition,1891,9616584,C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1
-Luciferase Inhibition,1891,9636219,O=C(O)c1ccc(N/N=C/c2ccc3nccnc3c2)cc1
-Luciferase Inhibition,1891,9636310,COc1cccc(OCc2cc(/C=N/Nc3ccc(C(=O)O)cc3)ccc2OC)c1
-Luciferase Inhibition,1891,9636393,COc1ccc(/C=N/Nc2ccccn2)cc1O
-Luciferase Inhibition,1891,9638883,N/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccccn1
-Luciferase Inhibition,1891,9642387,O=C(Nc1ccccc1C(=O)N/N=C/c1ccncc1)c1ccccc1
-Luciferase Inhibition,1891,9642984,COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1O
-Luciferase Inhibition,1891,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,1891,9668563,O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(Cl)cc1
-Luciferase Inhibition,1891,9680914,Cc1cc(/C=N/Nc2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccccc1
-Luciferase Inhibition,1891,9685289,Nc1c(Cl)ncnc1N/N=C/c1cccc(O)c1
-Luciferase Inhibition,1891,9688076,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc3ccccc23)cc1
-Luciferase Inhibition,1891,9689721,Cc1cccc(C(=O)O/N=C(\N)c2ccccn2)c1
-Luciferase Inhibition,1891,11837143,COC(=O)c1sccc1NC(=O)Nc1ccc(F)cc1
-Luciferase Inhibition,1891,11840107,O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C1CCCO1
-Luciferase Inhibition,1891,11840108,Cc1cccc(-c2nc3cc(NC(=O)C4CCCO4)ccc3o2)c1
-Luciferase Inhibition,1891,12005837,O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1CCCO1
-Luciferase Inhibition,1891,12425557,COc1ccc(N=Nc2n(C)c3ccccc3[n+]2C)cc1.O=S(=O)([O-])c1ccccc1
-Luciferase Inhibition,1891,16034298,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1
-Luciferase Inhibition,1891,16396156,CC[NH+](CC)CC.Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])O)C(O)C1O
-Luciferase Inhibition,1891,16481194,C=CCn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21
-Luciferase Inhibition,1891,16552639,CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccc(Br)cc1
-Luciferase Inhibition,1891,16619918,Cc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2c1
-Luciferase Inhibition,1891,16654013,CCOc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
-Luciferase Inhibition,1891,16682628,O=C(c1ccc2c3n(nc2c1)-c1ccccc1CO3)N1CCOCC1
-Luciferase Inhibition,1891,16682639,C[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccccc1CO3
-Luciferase Inhibition,1891,16682650,CC(C)[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccccc1CO3
-Luciferase Inhibition,1891,16682662,Cc1ccc2c(c1)COc1c3ccc(C(=O)N4CCOCC4)cc3nn1-2
-Luciferase Inhibition,1891,17376005,COC(=O)c1sccc1NC(=O)Nc1cccc(OC)c1
-Luciferase Inhibition,1891,18575111,O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)c(Cl)c1
-Luciferase Inhibition,1891,20864866,O=C(c1ccc(F)cc1)c1cc2ccc(O)cc2oc1=O
-Luciferase Inhibition,1891,20886481,CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2)N(C)CCS3)cc1
-Luciferase Inhibition,1891,20954814,O=C(Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1)C1=CSCCO1
-Luciferase Inhibition,1891,24391461,CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1
-Luciferase Inhibition,1891,24686059,Cc1ccc(NC(=O)c2sccc2C)nc1
-Luciferase Inhibition,1891,24747270,COc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)no2)c1
-Luciferase Inhibition,1891,24747341,O=C(O)c1ccc(-c2noc(-c3ccccc3F)n2)cc1
-Luciferase Inhibition,1891,24747920,COc1cc2sc3ccc(C#CC4(O)CCCCC4)cc3c(=O)c2cc1OC
-Luciferase Inhibition,1891,24816882,COc1cc(Cl)ccc1OCc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)no1
-Luciferase Inhibition,1891,24818490,COC(=O)c1sccc1NC(=O)Nc1ccc(OC)cc1
-Luciferase Inhibition,1891,24818579,CCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1
-Luciferase Inhibition,1891,24818804,COc1cccc2oc3ccc(C#Cc4ccccn4)cc3c(=O)c12
-Luciferase Inhibition,1891,24818806,COc1cccc2oc3cc(C#Cc4ccccn4)ccc3c(=O)c12
-Luciferase Inhibition,1891,24982529,Cc1ccnc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
-Luciferase Inhibition,1891,135401427,CSc1nc(/C=C2\C=Nc3ccccc32)c(O)n1C
-Luciferase Inhibition,1891,135402713,COC(=O)/C=C1\S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O
-Luciferase Inhibition,1891,135408526,Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1
-Luciferase Inhibition,1891,135431523,CCOc1ccc(N=Nc2c(=O)[nH]n3c(=O)cc(C)[nH]c23)cc1
-Luciferase Inhibition,1891,135433820,COc1ccc(N=CC2=C(O)c3ccccc3C2=O)cc1
-Luciferase Inhibition,1891,135436083,Cc1ccccc1N=CC1=C(O)c2ccccc2C1=O
-Luciferase Inhibition,1891,135442096,Oc1ccc(N=Nc2ccc3ccccc3c2)cc1
-Luciferase Inhibition,1891,135443097,Cc1c(O)ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O
-Luciferase Inhibition,1891,135450624,COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\O
-Luciferase Inhibition,1891,135452779,COc1cc(/C=N/Nc2nncn2/N=C/c2ccc(O)c(OC)c2)ccc1O
-Luciferase Inhibition,1891,135455084,Cc1nonc1C(=O)N/N=C/c1ccc(O)cc1O
-Luciferase Inhibition,1891,135456842,COc1ccccc1N=c1oc2cc(O)ccc2cc1C(N)=O
-Luciferase Inhibition,1891,135460447,Nc1c(Cl)ncnc1N/N=C/c1ccc(O)cc1
-Luciferase Inhibition,1891,135460484,COc1cc(/C=N/NC(=O)c2nonc2C)ccc1O
-Luciferase Inhibition,1891,135460530,CN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
-Luciferase Inhibition,1891,135460538,Oc1ccc(/C=N/NC(=S)N/N=C/c2ccc(O)cc2)cc1
-Luciferase Inhibition,1891,135464796,COc1ccccc1N=Cc1c(O)c2ccccc2oc1=O
-Luciferase Inhibition,1891,135470765,N/C(=N\N=C\c1ccc(O)c(O)c1)c1nonc1N
-Luciferase Inhibition,1891,135470775,COc1cc(/C=N/N=C(\N)c2nonc2N)ccc1O
-Luciferase Inhibition,1891,135470907,CCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)c(O)c1
-Luciferase Inhibition,1891,135472764,N/C(=N\N=C\c1ccc(O)cc1)c1nonc1N
-Luciferase Inhibition,1891,135472810,COc1cccc(/C=N/Nc2ccc(C(=O)O)cc2)c1O
-Luciferase Inhibition,1891,135476827,COc1ccc(N=CC2=C(O)c3ccccc3C2=O)c(OC)c1
-Luciferase Inhibition,1891,135476853,Oc1ccc(/C=N/Nc2nccnc2Cl)cc1
-Luciferase Inhibition,1891,135495440,Oc1ccc(/C=N/Nc2cccc(Cl)n2)c(O)c1
-Luciferase Inhibition,1891,135497956,Cc1nonc1C(=O)N/N=C/c1ccc(O)c(O)c1
-Luciferase Inhibition,1891,135498048,Cc1nonc1C(=O)N/N=C/c1ccc(O)cc1
-Luciferase Inhibition,1891,135501967,Oc1ccc(/C=N/Nc2nccnc2Cl)c(O)c1
-Luciferase Inhibition,1891,135508993,COc1cccc(/C=N/NC(=O)c2ccoc2C)c1O
-Luciferase Inhibition,1891,135510264,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O
-Luciferase Inhibition,1891,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
-Luciferase Inhibition,1891,135512353,Cc1cc(=O)[nH]c(N=N/C(=N/Nc2ccc(O)cc2)c2ccccc2)n1
-Luciferase Inhibition,1891,135521588,CN=c1scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O
-Luciferase Inhibition,1891,135531616,CCOc1cc(/C=N/NC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O
-Luciferase Inhibition,1891,135545023,N/C(=N\OC(=O)c1ccc(Cl)cc1)c1[nH]ncc1Br
-Luciferase Inhibition,1891,135603284,Oc1c(/C=N/c2ccccn2)sc2ccccc12
-Luciferase Inhibition,1891,135625843,O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1
-Luciferase Inhibition,1891,135630654,O=c1nccc(N/N=C/c2ccccc2O)[nH]1
-Luciferase Inhibition,1891,135650497,Cc1cccc(/N=C/c2sc3ccccc3c2O)n1
-Luciferase Inhibition,1891,135681156,COC(=O)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1

CHAFF_individual_AIDs/pubchem_aid_1926_active_curated.csv

@@ -1,119 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,1926,78723,O=C(O)c1ccccc1C(=O)c1cccc2ccccc12
-Absorbance,1926,224665,NC(=O)SCC(=O)Nc1ccccc1C(=O)O
-Absorbance,1926,279160,O=P(O)(O)c1ccccc1OCc1ccccc1
-Absorbance,1926,291752,CCOC(=O)c1[nH]c(C(=O)O)c(CCC(=O)OC)c1C
-Absorbance,1926,302501,O=[N+]([O-])c1ccc(-c2ccccc2)c([As](=O)(O)O)c1
-Absorbance,1926,648765,CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
-Absorbance,1926,654026,CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
-Absorbance,1926,655628,COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1926,657859,C=C(c1cccc2ccccc12)P(=O)(O)O
-Absorbance,1926,660524,S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
-Absorbance,1926,660619,S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
-Absorbance,1926,660813,S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12
-Absorbance,1926,724058,O=C(O)C(NC(=O)c1ccccc1)=C(Cl)Cl
-Absorbance,1926,752826,Cc1ccc(-n2c(-c3nn(C)c(C)c3Cl)n[nH]c2=S)cc1
-Absorbance,1926,767260,C=C(C)Cn1c(-c2cccs2)n[nH]c1=S
-Absorbance,1926,829349,Cc1cccc(-n2c(C)n[nH]c2=S)c1C
-Absorbance,1926,843761,CC(C)Cn1c(-c2ccco2)n[nH]c1=S
-Absorbance,1926,855142,CCCn1c(C(C)C)n[nH]c1=S
-Absorbance,1926,945654,CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
-Absorbance,1926,973894,COc1ccccc1-n1c(-c2ccco2)n[nH]c1=S
-Absorbance,1926,998799,Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]
-Absorbance,1926,1312855,Cc1cc(OCc2cc(C(=O)O)oc2C)c2c3c(c(=O)oc2c1)CCCC3
-Absorbance,1926,1418929,O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
-Absorbance,1926,1427313,COc1ccc2[nH]c(C(=O)O)c(CCN3C(=O)c4ccc(C(=O)O)cc4C3=O)c2c1
-Absorbance,1926,1437874,CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1
-Absorbance,1926,1448423,COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1
-Absorbance,1926,1472062,O=C(O)c1c(C(=O)O)c(-c2ccc(Br)cc2)n2c1CSC2
-Absorbance,1926,1472063,Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
-Absorbance,1926,1481298,CCn1c(-c2nn(-c3ccccc3)ccc2=O)n[nH]c1=S
-Absorbance,1926,1482495,Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S
-Absorbance,1926,1482500,Cn1c(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]c1=S
-Absorbance,1926,1483473,CC(C)(C)c1ccc(COc2ccsc2C(=O)O)cc1
-Absorbance,1926,1547995,O=C(O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
-Absorbance,1926,1768039,CCCCn1c(-c2ccoc2C)n[nH]c1=S
-Absorbance,1926,1768080,CCCCn1c(-c2sccc2C)n[nH]c1=S
-Absorbance,1926,1835925,COc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1OC
-Absorbance,1926,1868051,CSc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
-Absorbance,1926,2055738,C=CCn1c(C2CC2)n[nH]c1=S
-Absorbance,1926,2056018,Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
-Absorbance,1926,2208886,CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1
-Absorbance,1926,2229949,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3c(c12)CCC3
-Absorbance,1926,2237961,Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1
-Absorbance,1926,2383141,S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
-Absorbance,1926,2398093,COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
-Absorbance,1926,2415319,O=C(O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3
-Absorbance,1926,2470561,S=c1[nH]nc(C2CC2)n1Cc1ccco1
-Absorbance,1926,2478591,S=c1[nH]nc(C2CC2)n1Cc1ccccc1
-Absorbance,1926,2496761,Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
-Absorbance,1926,2561818,O=C(O)/C=C/c1nnc2c3ccccc3cnn12
-Absorbance,1926,2813041,COc1cc2c(cc1OC)C(C)N(C(=O)c1nccnc1C(=O)O)CC2
-Absorbance,1926,2816425,S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
-Absorbance,1926,2823665,COCC(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
-Absorbance,1926,2906489,S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1
-Absorbance,1926,2951249,COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1
-Absorbance,1926,2951255,O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
-Absorbance,1926,2981009,S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
-Absorbance,1926,2999456,CCOC(=O)N=S(N)(=O)c1ccccc1
-Absorbance,1926,3220527,CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1926,3220530,CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1926,3239187,Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
-Absorbance,1926,3239785,O=C(O)Cn1cccc1C(=O)c1ccccc1
-Absorbance,1926,3245548,O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O
-Absorbance,1926,3248551,O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
-Absorbance,1926,3331652,CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S
-Absorbance,1926,3546573,CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
-Absorbance,1926,3623360,O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccccc1
-Absorbance,1926,3729854,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2c(c1)OCCO2
-Absorbance,1926,3771607,CC1CCCCC1n1c(-c2cccnc2)n[nH]c1=S
-Absorbance,1926,3820260,Cc1cc(C)n(-c2nc(SCC(=O)O)c3c4c(sc3n2)COC(C)(C)C4)n1
-Absorbance,1926,4302597,Cc1c(Cl)c(-c2n[nH]c(=S)n2-c2ccc(F)cc2)nn1C
-Absorbance,1926,4766021,CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)cc3[N+](=O)[O-])C2SC1
-Absorbance,1926,4860066,O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1C1CC2CCC1C2
-Absorbance,1926,4870494,O=c1[nH]c2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2
-Absorbance,1926,4886931,S=c1[nH]nc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCCO2
-Absorbance,1926,5050469,CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S
-Absorbance,1926,5389282,COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)C2c2cc(OC)ccc2OC)cc1
-Absorbance,1926,5389373,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1
-Absorbance,1926,5389446,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
-Absorbance,1926,6236321,O=C(O)CC/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1
-Absorbance,1926,6237804,O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1
-Absorbance,1926,6502653,O=Cc1c(NCc2ccc(Cl)cc2)c2ccccc2[nH]c1=O
-Absorbance,1926,6569026,Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)O)c(C)c2oc1=O
-Absorbance,1926,6569385,CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12
-Absorbance,1926,6569514,Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1
-Absorbance,1926,6569799,Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)ccc2c3c(c(=O)oc12)CCC3
-Absorbance,1926,6860017,CC(=C/c1ccccc1)/C=N/n1c(-c2ccncc2)n[nH]c1=S
-Absorbance,1926,6861279,O=C(O)COc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S
-Absorbance,1926,6863578,CC(=C/c1ccccc1)/C=N/n1c(C)n[nH]c1=S
-Absorbance,1926,6863594,CCc1n[nH]c(=S)n1/N=C/C(C)=C\c1ccccc1
-Absorbance,1926,6881403,O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(-c2ccccc2F)n[nH]c1=S
-Absorbance,1926,6905027,CCc1n[nH]c(=S)n1/N=C/c1ccc(NC(C)=O)cc1
-Absorbance,1926,7190957,O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
-Absorbance,1926,7190975,Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
-Absorbance,1926,7191297,O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
-Absorbance,1926,8016217,Cc1c(C)c2c(OCC(=O)N[C@@H](C)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
-Absorbance,1926,8016786,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1926,8481811,COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
-Absorbance,1926,8482110,O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccco1
-Absorbance,1926,8483299,O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1Cl
-Absorbance,1926,9634160,COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC1C(=O)NN=C1C
-Absorbance,1926,9636377,COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1
-Absorbance,1926,9643280,CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C2CC=CCC2)c1
-Absorbance,1926,9690684,O=[N+]([O-])c1ccccc1/C=N/n1c(C(F)(F)F)n[nH]c1=S
-Absorbance,1926,11834391,Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1
-Absorbance,1926,11920923,Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1926,16187921,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1
-Absorbance,1926,16406199,Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1926,16406618,CCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1926,16406742,CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)O)c12)OC(C)(C)CC3
-Absorbance,1926,16406775,CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)O
-Absorbance,1926,16406937,Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3
-Absorbance,1926,18561114,O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccc(F)cc1
-Absorbance,1926,24793641,O=C1Nc2cc(C(=O)N3CCC(N4CCCCC4)CC3)ccc2S/C1=C\c1ccccc1
-Absorbance,1926,24892372,O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NCc1ccco1
-Absorbance,1926,24892569,O=C(CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1)NCC1CCCO1
-Absorbance,1926,44601849,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1
-Absorbance,1926,56642947,O=C(O)c1cccc(NC(=S)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1
-Absorbance,1926,135444051,Oc1c(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br

CHAFF_individual_AIDs/pubchem_aid_2124_active_curated.csv

@@ -1,195 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,2124,14610,Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
-Autofluoresence,2124,65047,CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
-Autofluoresence,2124,87935,CCCCNc1ccc2c3c(cccc13)C(=O)N(CCCC)C2=O
-Autofluoresence,2124,94381,CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
-Autofluoresence,2124,339701,COc1ccc2c(n1)Sc1nc3ccccc3nc1N2
-Autofluoresence,2124,397073,CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc2c1
-Autofluoresence,2124,564008,O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
-Autofluoresence,2124,644413,CN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3)C2C1
-Autofluoresence,2124,646114,CCCC1C2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N
-Autofluoresence,2124,646956,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
-Autofluoresence,2124,648447,COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC
-Autofluoresence,2124,650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,2124,651025,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1
-Autofluoresence,2124,657591,CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3)C2C1
-Autofluoresence,2124,657691,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1
-Autofluoresence,2124,657744,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)C2C1
-Autofluoresence,2124,658239,COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2
-Autofluoresence,2124,658314,CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
-Autofluoresence,2124,658792,O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3
-Autofluoresence,2124,661810,CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
-Autofluoresence,2124,704848,Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1
-Autofluoresence,2124,712714,CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,2124,760116,Cc1cc2c(C(F)(F)F)cc(=O)oc2c2c1NCCC2
-Autofluoresence,2124,784224,Cc1ccc(CNc2ccc3c(c2)OCO3)cc1
-Autofluoresence,2124,831358,CC(=O)c1c(N2CCOCC2)[nH]c(-c2ccccc2)nc1=S
-Autofluoresence,2124,839760,COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=S)NC1=O
-Autofluoresence,2124,854221,CCCN1C=CC(=CC=C(C#N)C#N)C=C1
-Autofluoresence,2124,855474,Cc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N
-Autofluoresence,2124,865457,COc1ccc2nc(SCC(C)=O)c(C#N)cc2c1
-Autofluoresence,2124,890149,Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(C)C(=S)N1C
-Autofluoresence,2124,891056,Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1N1CCCC1
-Autofluoresence,2124,915686,CCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1
-Autofluoresence,2124,984326,Cn1c(=O)c(NC2CCCCC2)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,2124,998226,CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N
-Autofluoresence,2124,999758,CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C(N)=O)C1
-Autofluoresence,2124,1036385,COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC
-Autofluoresence,2124,1039936,Nc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
-Autofluoresence,2124,1045636,N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1nc(N)nc(N2CCOCC2)n1
-Autofluoresence,2124,1089932,Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C(F)(F)F)c2C#N)cc1
-Autofluoresence,2124,1209894,CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1
-Autofluoresence,2124,1209895,CCN(CC)c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1
-Autofluoresence,2124,1240391,Nc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
-Autofluoresence,2124,1255814,Cc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1
-Autofluoresence,2124,1347824,Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCCCC4)ccc(c23)C1=O
-Autofluoresence,2124,1352154,Cc1ccnc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1
-Autofluoresence,2124,1353238,Cn1c(=O)c(N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2
-Autofluoresence,2124,1366257,N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Br)c1
-Autofluoresence,2124,1394794,CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1
-Autofluoresence,2124,1473620,CC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)c(=O)oc1/C=C/N(C)C
-Autofluoresence,2124,1554430,Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)nn3-c3ccccc3)o2)cc1
-Autofluoresence,2124,1622396,CC1=CN2C(=N)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)N=C2S1
-Autofluoresence,2124,1789058,COCCCNc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2
-Autofluoresence,2124,1798506,O=C1/C(=C/c2ccc(N3CCCC3)cc2)NC(=S)N1C1CC1
-Autofluoresence,2124,1808828,COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(C)C1=O
-Autofluoresence,2124,1842588,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NCCc1c[nH]c2ccccc12
-Autofluoresence,2124,1863779,Cc1cccn2c(=O)c(/C=C3\SC(=S)NC3=O)c(NCCCN3CCOCC3)nc12
-Autofluoresence,2124,1867783,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc2ccccc2c1
-Autofluoresence,2124,1910761,CC1=C/C(=C\C=C(C#N)C#N)N(C)c2ccccc21
-Autofluoresence,2124,1911050,CCCCCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1
-Autofluoresence,2124,1918048,N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1
-Autofluoresence,2124,1928929,Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3cccs3)ccc12
-Autofluoresence,2124,1933203,CCN1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1
-Autofluoresence,2124,1936948,CCOc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1
-Autofluoresence,2124,1971752,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1
-Autofluoresence,2124,2031089,CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,2124,2044030,O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Cl)cc1
-Autofluoresence,2124,2135723,N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3
-Autofluoresence,2124,2136878,COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC
-Autofluoresence,2124,2136882,COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC
-Autofluoresence,2124,2146812,CN1/C(=C\C=C2C(=O)NC(=S)NC2=O)C(C)(C)c2ccccc21
-Autofluoresence,2124,2160545,CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C)C2
-Autofluoresence,2124,2176483,CCOC(=O)/C(=C\C=C1/Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O
-Autofluoresence,2124,2185976,Cc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1N1CCCC1
-Autofluoresence,2124,2187445,Cc1cc(N2CCCC2)ccc1/C=C1\NC(=S)N(C)C1=O
-Autofluoresence,2124,2189900,COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S
-Autofluoresence,2124,2193273,Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12
-Autofluoresence,2124,2193419,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Br)c1
-Autofluoresence,2124,2201553,N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(Cl)cc1
-Autofluoresence,2124,2226950,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(F)c1
-Autofluoresence,2124,2227542,COc1cc2c(cc1OC)C1=CC(=O)C(=O)N1C(C)(C)C2
-Autofluoresence,2124,2228772,N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(F)c1
-Autofluoresence,2124,2252798,Nc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
-Autofluoresence,2124,2274766,N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1
-Autofluoresence,2124,2287238,O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl
-Autofluoresence,2124,2289625,CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
-Autofluoresence,2124,2313748,CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1
-Autofluoresence,2124,2320265,CN1/C(=C\C=C(/C#N)C(=O)Nc2ccccc2F)C(C)(C)c2ccccc21
-Autofluoresence,2124,2484938,CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C
-Autofluoresence,2124,2485364,CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1CC(=O)NC(N)=O
-Autofluoresence,2124,2745800,CC(=O)c1c(C)[nH]c(-c2ccccc2)nc1=S
-Autofluoresence,2124,2801209,CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=N)c(C#N)c1C
-Autofluoresence,2124,2814482,COc1ccc2c(c1)NC(c1ccc(N(C)C)cc1)c1cccn1-2
-Autofluoresence,2124,2816883,Nc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12
-Autofluoresence,2124,2816887,Nc1c(C(=O)c2ccc(Cl)cc2)sc2nsc(SCCN3CCOCC3)c12
-Autofluoresence,2124,2816888,Nc1c(C(=O)c2ccccc2)sc2nsc(SCCN3CCCC3)c12
-Autofluoresence,2124,2817441,O=c1c(Cl)c2oc3ccccc3nc-2c2ccccc12
-Autofluoresence,2124,2937970,CCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
-Autofluoresence,2124,3156453,CCN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3C(F)(F)F)C2C1
-Autofluoresence,2124,3231270,CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)sc3nc12
-Autofluoresence,2124,3240857,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(OC)c3OC)C2C1
-Autofluoresence,2124,3517787,N#CC(C#N)=C1C=C2C=C(N3CCCCC3)CCC2CC1
-Autofluoresence,2124,3596034,CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,2124,3632466,Cc1cc(C)cc(N=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)c1
-Autofluoresence,2124,3830309,O=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1)c1cc2ccccc2o1
-Autofluoresence,2124,3974576,N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(CCc1ccccc1)C2
-Autofluoresence,2124,3983935,COc1ccc2c(C)cc(SCC(=O)N(C)C3CCS(=O)(=O)C3)nc2c1
-Autofluoresence,2124,4076033,CCCCN(C)C1=CC2=CC(=C(C#N)C#N)CCC2CC1
-Autofluoresence,2124,4208272,N#CC(C#N)=C1C=C2C=C(N3CCOCC3)CCC2CC1
-Autofluoresence,2124,4294031,CC(=O)n1c(C=Nc2ccccc2)c(O)c2ccccc21
-Autofluoresence,2124,4343310,C=CCN1C=CC(=CC=C(C#N)C#N)C=C1
-Autofluoresence,2124,4406525,CN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1
-Autofluoresence,2124,4524859,COc1cccc2sc(NNC(=O)C3=COCCO3)nc12
-Autofluoresence,2124,4620544,O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(Cl)cc1Cl
-Autofluoresence,2124,4835204,N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1
-Autofluoresence,2124,5121711,C=CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
-Autofluoresence,2124,5291133,O=S(=O)([O-])CCC[n+]1c(/C=C\Nc2ccccc2)oc2ccc(-c3ccccc3)cc21
-Autofluoresence,2124,5291166,CCCCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CC)SC1=S
-Autofluoresence,2124,5296051,C(=C\c1nccc2c1[nH]c1ccccc12)\c1ccc2c(c1)OCO2
-Autofluoresence,2124,5310930,COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4cc(C)n(C)c4C)c(=O)n32)c(OC)c1
-Autofluoresence,2124,5333607,CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1
-Autofluoresence,2124,5334290,CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1
-Autofluoresence,2124,5337303,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
-Autofluoresence,2124,5379238,CCN(CC)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
-Autofluoresence,2124,5455271,CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
-Autofluoresence,2124,5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
-Autofluoresence,2124,5568908,CN1/C(=C\C=C2/C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc21
-Autofluoresence,2124,5651754,C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1nnc(CC)s1
-Autofluoresence,2124,5706892,COc1ccccc1N/C=C/c1onc(C)c1[N+](=O)[O-]
-Autofluoresence,2124,5718631,CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1
-Autofluoresence,2124,5722655,CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1
-Autofluoresence,2124,5727752,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1
-Autofluoresence,2124,5732023,N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ccccc2s1
-Autofluoresence,2124,5736540,C=CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(S(=O)(=O)N(C)C)cc3N2CC)SC1=S
-Autofluoresence,2124,5743234,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1
-Autofluoresence,2124,5750335,O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)C(c3ccco3)C2)o1
-Autofluoresence,2124,5756549,CN1/C(=C\C=C2/SC(=S)NC2=O)C(C)(C)c2ccccc21
-Autofluoresence,2124,5757793,CCCCN1C(=O)/C(=C/C=C2/CC(C)(C)CN2C)SC1=S
-Autofluoresence,2124,5759277,CCCCN1C(=O)/C(=C/C=C2\SCCN2C)SC1=S
-Autofluoresence,2124,5759278,CN1CCS/C1=C/C=C1/SC(=S)N(Cc2ccccc2)C1=O
-Autofluoresence,2124,5761538,CCCN1C(=O)/C(=C\C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,2124,5763292,CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,2124,5763546,CCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1
-Autofluoresence,2124,5768597,N#C/C(=C/c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1
-Autofluoresence,2124,5768671,Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCOCC4)o3)[nH]c2c1
-Autofluoresence,2124,5775469,CCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O
-Autofluoresence,2124,5778563,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl
-Autofluoresence,2124,5791561,O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1
-Autofluoresence,2124,5809532,Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1
-Autofluoresence,2124,5886744,CCOC(=O)CC1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O
-Autofluoresence,2124,5914490,N#C/C(=C\c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1
-Autofluoresence,2124,5936070,CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(C)cc1
-Autofluoresence,2124,5993604,O=[N+]([O-])c1ccc(N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1
-Autofluoresence,2124,6001289,COc1ccc(/C=C2\CC/C(=C\c3ccc(OC)cc3OC)C2=O)c(OC)c1
-Autofluoresence,2124,6011596,Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)n(-c2ccccc2)n1
-Autofluoresence,2124,6031948,COc1cc2nc(/C=C/c3ccc(N(C)C)cc3)sc2cc1SC
-Autofluoresence,2124,6105451,CCOC(=O)CC1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C(C)CC)C1=O
-Autofluoresence,2124,6110527,Cc1noc(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-]
-Autofluoresence,2124,6174589,CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1
-Autofluoresence,2124,6236447,O=C(/C=C/c1c[nH]c2ccccc12)c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O
-Autofluoresence,2124,6249199,Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc2ccccc21
-Autofluoresence,2124,6273628,CCOC(=O)CC1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)CC)C1=O
-Autofluoresence,2124,6289234,CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)C3CC(=O)OCC)nc3c(C)cccn3c2=O)SC1=S
-Autofluoresence,2124,6297320,CCC(C)N1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S
-Autofluoresence,2124,6379206,Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1
-Autofluoresence,2124,6511277,O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl
-Autofluoresence,2124,6974996,CCN=C1S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC
-Autofluoresence,2124,7308510,N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1
-Autofluoresence,2124,9512005,O=C1/C(=C/c2ccc(N3CCOCC3)o2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12
-Autofluoresence,2124,9550477,COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC
-Autofluoresence,2124,9551286,O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1
-Autofluoresence,2124,9642757,Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1
-Autofluoresence,2124,9658313,C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1
-Autofluoresence,2124,9660820,CCN(CC)c1ccc2cc(/C(N)=N/NC(=O)c3cccs3)c(=O)oc2c1
-Autofluoresence,2124,9670293,COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1
-Autofluoresence,2124,9688820,Cc1cc(N/N=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12
-Autofluoresence,2124,11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,2124,11839287,COCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1
-Autofluoresence,2124,11948835,CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,2124,11948839,O=[N+]([O-])c1ccc(N2N=C(c3ccco3)CC2c2ccccc2)cc1
-Autofluoresence,2124,11957284,Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1
-Autofluoresence,2124,12004767,CC(C)/C=C1\CC/C(=C\c2ccc(N(C)C)cc2)C1=O
-Autofluoresence,2124,12005117,Cc1c2ccccc2nc2c(F)c(NC(C)C)c(F)c(F)c12
-Autofluoresence,2124,12005182,C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S
-Autofluoresence,2124,12005721,CC(=O)Nc1sc(/C(C#N)=C\c2cccc(Cl)c2)nc1-c1ccc(C)cc1
-Autofluoresence,2124,16193971,O=C(/C=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccccc1
-Autofluoresence,2124,16412561,CCN1C(=O)/C(=C/C=C2\N(CC)c3cc(S(=O)(=O)N(C)C)ccc3N2c2ccccc2)SC1=S
-Autofluoresence,2124,54718136,CN(C)c1ccc(/C=C/C(O)=C2/C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1
-Autofluoresence,2124,135408359,O=c1oc2cc(O)ccc2cc1-c1nc2c(s1)CCc1ccccc1-2
-Autofluoresence,2124,135421491,Cc1[nH]c2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1
-Autofluoresence,2124,135436357,COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1O
-Autofluoresence,2124,135472352,O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)cc1
-Autofluoresence,2124,135472532,O=[N+]([O-])c1ccc(N/N=C/c2ccc[nH]2)cc1
-Autofluoresence,2124,135497990,COc1ccc(/C(O)=C/c2nc3ccc(C(=O)NCCc4cccc(C)c4)cc3[nH]c2=O)cc1OC
-Autofluoresence,2124,135517010,CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c(O)c1

CHAFF_individual_AIDs/pubchem_aid_2515_active_curated.csv

@@ -1,11 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,2515,990823,NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,2515,2900985,Brc1ccc(-c2csc(N3CCCCC3)n2)cc1
-Luciferase Inhibition,2515,44143946,NC(=O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
-Luciferase Inhibition,2515,44143947,Cc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
-Luciferase Inhibition,2515,44143948,NC(=O)C1CCN(c2nc(-c3ccc4ccccc4c3)cs2)CC1
-Luciferase Inhibition,2515,44144338,NC(=O)C1CCN(c2nc(-c3ccccc3F)cs2)CC1
-Luciferase Inhibition,2515,44144346,NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1
-Luciferase Inhibition,2515,44144366,CN(C)c1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1
-Luciferase Inhibition,2515,44144368,Cn1ccc2cc(-c3csc(N4CCC(C(N)=O)CC4)n3)ccc21
-Luciferase Inhibition,2515,44144370,NC(=O)C1CCN(c2nc(-c3cc4ccccc4o3)cs2)CC1

CHAFF_individual_AIDs/pubchem_aid_2530_active_curated.csv

@@ -1,46 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,2530,3194,O=c1c2ccccc2[se]n1-c1ccccc1
-Luciferase Inhibition,2530,379337,O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21
-Luciferase Inhibition,2530,387104,Brc1ccc(N=Nc2ccc3ccccc3n2)cc1
-Luciferase Inhibition,2530,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,2530,646533,c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
-Luciferase Inhibition,2530,659508,O=C(c1ccccc1)n1c(=S)nc2ccccn21
-Luciferase Inhibition,2530,665033,Cn1c(-c2ccc(Br)o2)nc2ccccc21
-Luciferase Inhibition,2530,700561,Cc1ccccc1-c1nc(-c2ccccn2)no1
-Luciferase Inhibition,2530,727588,O=c1c2ccccc2cnn1-c1nc2ccccc2[nH]1
-Luciferase Inhibition,2530,763880,c1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,2530,789893,COc1ccc(-c2nc(-c3ccccn3)no2)cc1
-Luciferase Inhibition,2530,793586,Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N
-Luciferase Inhibition,2530,828003,COc1ccc(-c2cn3ccc(C)cc3n2)cc1
-Luciferase Inhibition,2530,893017,Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
-Luciferase Inhibition,2530,900061,COc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1
-Luciferase Inhibition,2530,1088432,Cc1ccc(C(=O)n2c(N)nc3ccccc32)cc1
-Luciferase Inhibition,2530,1116221,Cc1ccnc(NC(=O)c2ccc3c(c2)OCO3)c1
-Luciferase Inhibition,2530,1236969,Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1
-Luciferase Inhibition,2530,1898255,O=C(Nc1cccc(O)c1)C(=O)Nc1ccccn1
-Luciferase Inhibition,2530,2084198,Cc1ccsc1C(=O)Nc1nc2ccccc2[nH]1
-Luciferase Inhibition,2530,2166675,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F
-Luciferase Inhibition,2530,2260658,O=C(/C=C/Nc1ccccc1Br)c1ccccn1
-Luciferase Inhibition,2530,2314694,O=C(Nc1nc2ccccc2s1)C1=COCCO1
-Luciferase Inhibition,2530,2322773,COc1ccc(C(=O)N=c2nc3ccccn3s2)cc1
-Luciferase Inhibition,2530,2568591,O=C(Nc1ccc2c(c1)OCCO2)c1ccccn1
-Luciferase Inhibition,2530,2767330,Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1
-Luciferase Inhibition,2530,2851304,CN(C)c1ccc(N=Nc2nc3ccccc3n2C)cc1
-Luciferase Inhibition,2530,2971468,Cc1ccc(C(=O)N2c3ccccc3CC2C)o1
-Luciferase Inhibition,2530,2985532,O=C(NC(=O)c1ccccc1)Nc1ccccn1
-Luciferase Inhibition,2530,3243735,c1c2c(cc3sc(N4CCCCC4)nc13)OCO2
-Luciferase Inhibition,2530,4880974,O=C(Nc1ccc(N2CCOCC2)cc1)c1cn2ccccc2n1
-Luciferase Inhibition,2530,5210304,Cn1c(N=Nc2ccccc2)nc2ccccc21
-Luciferase Inhibition,2530,5308351,Cc1ccc(N2C(=O)c3ccccc3C2O)nc1
-Luciferase Inhibition,2530,5348249,Cc1occc1C(=O)O/N=C(\N)c1ccccc1
-Luciferase Inhibition,2530,5349753,CCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,2530,5717398,O=C(/C=C/c1ccc2c(c1)OCO2)c1ccccn1
-Luciferase Inhibition,2530,5767482,N/C(=N\OC(=O)c1ccccc1)c1ccccn1
-Luciferase Inhibition,2530,6469521,CCOc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1
-Luciferase Inhibition,2530,6484377,CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/N(C)C
-Luciferase Inhibition,2530,6868901,Cc1occc1C(=O)N/N=C/c1ccc2c(c1)OCO2
-Luciferase Inhibition,2530,9662480,Cc1nc(N/N=C/c2ccccn2)sc1C
-Luciferase Inhibition,2530,12425557,COc1ccc(N=Nc2n(C)c3ccccc3[n+]2C)cc1.O=S(=O)([O-])c1ccccc1
-Luciferase Inhibition,2530,16396156,CC[NH+](CC)CC.Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])O)C(O)C1O
-Luciferase Inhibition,2530,135416587,c1ccc(C2=NNC(=NC3CC3)SC2)cc1
-Luciferase Inhibition,2530,135436083,Cc1ccccc1N=CC1=C(O)c2ccccc2C1=O

CHAFF_individual_AIDs/pubchem_aid_2757_active_curated.csv

@@ -1,10 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,2757,2054727,O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1Cc1ccccc1
-Autofluoresence,2757,2772102,O=[N+]([O-])c1c(Nc2ccccn2)cc(Cl)c2nonc12
-Autofluoresence,2757,3153499,CS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2c(c1)OCO2
-Autofluoresence,2757,5730061,N#C/C(=C\c1ccccn1)c1nc2ccccc2s1
-Autofluoresence,2757,5731123,CCn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O
-Autofluoresence,2757,7314662,COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1
-Autofluoresence,2757,9684637,C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1ccccn1
-Autofluoresence,2757,54684448,CCOC(=O)C1=C(O)c2ccccc2C(=O)/C1=C\c1ccc(C)cc1
-Autofluoresence,2757,135490259,Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12

CHAFF_individual_AIDs/pubchem_aid_366887_active_curated.csv

@@ -1,9 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,366887,838877,c1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1
-Luciferase Inhibition,366887,888120,Cc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
-Luciferase Inhibition,366887,893238,COc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1
-Luciferase Inhibition,366887,912656,COc1ccccc1-c1nc(-c2ccccn2)no1
-Luciferase Inhibition,366887,925735,COc1ccc(-c2noc(-c3ccccc3F)n2)cc1
-Luciferase Inhibition,366887,2234387,COc1ccccc1-c1noc(-c2ccccc2)n1
-Luciferase Inhibition,366887,15665937,COc1ccccc1-c1nc(-c2ccc(N(C)C)cc2)no1
-Luciferase Inhibition,366887,44563963,O=C(Oc1nc(-c2ccccn2)no1)c1ccc(-c2ccccc2)cc1

CHAFF_individual_AIDs/pubchem_aid_366889_active_curated.csv

@@ -1,2 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,366889,5218788,Cc1ccc(O)c(N=Nc2ccccc2)n1

CHAFF_individual_AIDs/pubchem_aid_366891_active_curated.csv

@@ -1,20 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,366891,95752,Clc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,366891,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,366891,95755,CN(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,366891,233871,CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,366891,241105,COc1ccc(-c2nc3ccccc3s2)cc1OC
-Luciferase Inhibition,366891,1512656,N#Cc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,366891,10016034,COc1ccc(-c2nc3ccc(OC)cc3s2)cc1
-Luciferase Inhibition,366891,11129817,COc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1
-Luciferase Inhibition,366891,11722396,COc1ccc2nc(-c3ccc(OC)c(OC)c3)sc2c1
-Luciferase Inhibition,366891,12179987,COc1ccc2nc(-c3ccc(F)cc3)sc2c1
-Luciferase Inhibition,366891,14920721,COc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
-Luciferase Inhibition,366891,25232007,COc1ccc2nc(-c3cccc(F)c3)sc2c1
-Luciferase Inhibition,366891,25232008,COc1ccc2nc(-c3ccc(F)cc3Cl)sc2c1
-Luciferase Inhibition,366891,25232009,COc1ccc2nc(-c3ccccc3OCc3ccccc3)sc2c1
-Luciferase Inhibition,366891,25232185,COc1ccc2nc(-c3ccccc3OC)sc2c1
-Luciferase Inhibition,366891,25232186,COc1ccc2nc(-c3cccc(C)c3)sc2c1
-Luciferase Inhibition,366891,25232189,COc1ccc2nc(-c3ccccc3F)sc2c1
-Luciferase Inhibition,366891,25232190,COc1ccc2nc(-c3ccc(C#N)cc3)sc2c1
-Luciferase Inhibition,366891,25232368,COc1ccc2nc(-c3cccc(NC(C)=O)c3)sc2c1

CHAFF_individual_AIDs/pubchem_aid_435026_active_curated.csv

@@ -1,396 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,435026,2015,O=c1c2ccccc2[nH]c2ccccc12
-Absorbance,435026,99383,COc1c2ccccc2nc2ccccc12
-Absorbance,435026,145758,OCCNc1c2ccccc2nc2ccccc12
-Absorbance,435026,148769,CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
-Absorbance,435026,170221,CCn1c(O)c(C=Nc2ccccc2)sc1=S
-Absorbance,435026,265711,Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
-Absorbance,435026,323337,Cn1c(=O)[nH]c2c(nc(-c3ccc(Cl)cc3)n2C)c1=O
-Absorbance,435026,387801,CC1C2(C)OC(=N)C(C#N)(C(C)O2)C1(C#N)C#N
-Absorbance,435026,606114,CCCc1c2ccccc2nc2ccccc12
-Absorbance,435026,606422,CC(=O)c1ccc(-c2cccs2)s1
-Absorbance,435026,607870,CCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
-Absorbance,435026,618848,O=c1c2ccccc2sc2ccc(Cl)cc12
-Absorbance,435026,644393,Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(C#N)cc2c1
-Absorbance,435026,645132,Cc1ccc2cc(C#N)c(N3CCCC3)nc2c1C
-Absorbance,435026,645559,Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12
-Absorbance,435026,646289,COc1cc(C(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc(OC)c1OC
-Absorbance,435026,646860,CN(C)CCCn1c(N)c(C#N)c2nc(C#N)c(C#N)nc21
-Absorbance,435026,648434,Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
-Absorbance,435026,648602,Cc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)c(C#N)cc2c1
-Absorbance,435026,648675,Cc1ccc(C)c2nc(N3CCCC3)c(C#N)cc12
-Absorbance,435026,650010,Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1
-Absorbance,435026,650713,COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C
-Absorbance,435026,651489,COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1
-Absorbance,435026,654217,Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
-Absorbance,435026,654285,N#Cc1cc2cc3c(cc2nc1N1CCOCC1)OCO3
-Absorbance,435026,656052,Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1
-Absorbance,435026,657476,COC(=O)c1n[nH]c2ccccc12
-Absorbance,435026,657504,CNC(=O)c1cc2c(ccc3ccccc32)oc1=N
-Absorbance,435026,658010,CN1Cc2c(N3CCOCC3)nc(SCc3ccccc3)c(C#N)c2CC1(C)C
-Absorbance,435026,658239,COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2
-Absorbance,435026,658328,N#Cc1c(N)n(CCSc2ccccc2)c2nc3ccccc3nc12
-Absorbance,435026,659547,COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
-Absorbance,435026,659906,N#Cc1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12
-Absorbance,435026,660107,CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
-Absorbance,435026,660190,CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC
-Absorbance,435026,660238,CCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12
-Absorbance,435026,660498,COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
-Absorbance,435026,660685,COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21
-Absorbance,435026,660785,CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
-Absorbance,435026,660819,C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
-Absorbance,435026,661875,Cc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2
-Absorbance,435026,662561,COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21
-Absorbance,435026,662818,Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CC1CCCO1
-Absorbance,435026,662908,COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21
-Absorbance,435026,663318,CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
-Absorbance,435026,663493,CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
-Absorbance,435026,663792,CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
-Absorbance,435026,663834,CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21
-Absorbance,435026,664030,CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12
-Absorbance,435026,664162,COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1
-Absorbance,435026,664210,COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1
-Absorbance,435026,664437,C=CCn1c(N)c(C(=O)OC(C)CC)c2nc3ccccc3nc21
-Absorbance,435026,664499,COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1
-Absorbance,435026,665268,CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21
-Absorbance,435026,665288,OCCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
-Absorbance,435026,665669,COCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21
-Absorbance,435026,666811,Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21
-Absorbance,435026,666878,Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccco1)C(C#N)=C(N)O2
-Absorbance,435026,667155,Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCCC43)C2=O)cc1
-Absorbance,435026,668109,N#Cc1c(N)nc2c(c1-c1ccccc1)CCC2
-Absorbance,435026,679749,COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
-Absorbance,435026,684194,N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2
-Absorbance,435026,694212,CSc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)n1C
-Absorbance,435026,697577,CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
-Absorbance,435026,697625,Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2scc(-c3ccccc3)n12
-Absorbance,435026,764034,CCOC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1
-Absorbance,435026,781584,COc1cc2cc(C(N)=O)c(N)nc2cc1OC
-Absorbance,435026,794068,Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1
-Absorbance,435026,796420,Oc1ccc(N=Cc2ccc(-c3cccs3)s2)cc1
-Absorbance,435026,798423,CC(C)NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1
-Absorbance,435026,800517,Cc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1
-Absorbance,435026,821135,CCOn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
-Absorbance,435026,839237,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1
-Absorbance,435026,839240,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1
-Absorbance,435026,856333,COc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2
-Absorbance,435026,865268,Cc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1
-Absorbance,435026,866572,CN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1
-Absorbance,435026,929418,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1
-Absorbance,435026,931268,CC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3
-Absorbance,435026,936498,O=C(c1ccco1)c1cc2c(ccc3ccccc32)oc1=O
-Absorbance,435026,942039,CSc1nc(NCC(C)C)c2c3c(sc2n1)CN(C)CC3
-Absorbance,435026,946759,Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccccc3)nc12
-Absorbance,435026,974361,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12
-Absorbance,435026,974686,COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
-Absorbance,435026,1044643,CC(C)c1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2
-Absorbance,435026,1050959,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccc(O)c1
-Absorbance,435026,1073796,COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1
-Absorbance,435026,1094429,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(F)cc1
-Absorbance,435026,1094572,COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1
-Absorbance,435026,1094686,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccccc1F
-Absorbance,435026,1158246,COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1ccc(OC)cc1OC
-Absorbance,435026,1166055,CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)C(C)C
-Absorbance,435026,1212575,COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cn(C)nc3C)C3=C2CC(C)(C)CC3=O)cc1
-Absorbance,435026,1215260,Oc1c(C=Nc2ccccc2)sc(=S)n1Cc1ccccc1
-Absorbance,435026,1242616,COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O
-Absorbance,435026,1245644,O=C(c1cc2ccccc2oc1=O)N1CCN(CCc2ccccc2)CC1
-Absorbance,435026,1249448,O=C(Nc1cccc(Cl)c1)c1cc2c(=O)n3ccccc3nc2s1
-Absorbance,435026,1265083,Nc1nc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(F)(F)F)n2n1
-Absorbance,435026,1276569,Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1
-Absorbance,435026,1284208,CC(C)c1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N
-Absorbance,435026,1305519,COC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
-Absorbance,435026,1326179,CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O
-Absorbance,435026,1336676,COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cc(F)ccc1F
-Absorbance,435026,1348924,CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1
-Absorbance,435026,1363031,N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NCc1ccccc1
-Absorbance,435026,1393058,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C3CCCCC3)c2=N)cc1
-Absorbance,435026,1394573,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1
-Absorbance,435026,1423418,CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21
-Absorbance,435026,1434708,COc1cc(OC)cc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
-Absorbance,435026,1441409,Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1
-Absorbance,435026,1451680,Cc1ccc(S(=O)(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc1
-Absorbance,435026,1451687,Cc1ccc2cc(C#N)c(N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2c1
-Absorbance,435026,1454259,Cc1ccc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c(C#N)cc2c1
-Absorbance,435026,1477169,CN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
-Absorbance,435026,1477171,CCN(CC)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
-Absorbance,435026,1479381,CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2
-Absorbance,435026,1480646,COc1cccc(-c2cc(C(F)(F)F)n3ncc(S(=O)(=O)c4ccccc4)c3n2)c1
-Absorbance,435026,1511413,c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
-Absorbance,435026,1553158,CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O
-Absorbance,435026,1564382,CCCCn1c(NC(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
-Absorbance,435026,1635266,CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc21
-Absorbance,435026,1766037,CCn1ncc(/C=C2\CCC/C(=C\c3cnn(CC)c3C)C2=O)c1C
-Absorbance,435026,1820382,CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
-Absorbance,435026,1830672,CCN1CCc2c(sc(N)c2C#N)C1
-Absorbance,435026,1836734,Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1
-Absorbance,435026,1840318,COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O
-Absorbance,435026,1842588,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NCCc1c[nH]c2ccccc12
-Absorbance,435026,1847020,CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1c1ccccc1
-Absorbance,435026,1867868,Cc1ccc(-n2c(O)c(C=Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1C
-Absorbance,435026,1888166,CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
-Absorbance,435026,1893291,C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N
-Absorbance,435026,1911918,COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC
-Absorbance,435026,1911927,Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2
-Absorbance,435026,1912468,CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12
-Absorbance,435026,1917167,COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(C)C4)cc1
-Absorbance,435026,1921160,N#Cc1c(N)n(CCNC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12
-Absorbance,435026,1922043,CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1
-Absorbance,435026,1922517,COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1
-Absorbance,435026,1927137,N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12
-Absorbance,435026,1927286,COc1ccc(C(=O)/C=C/Nc2cccc(C)n2)cc1OC
-Absorbance,435026,1932059,NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3
-Absorbance,435026,1932201,CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1
-Absorbance,435026,1932779,O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/N1CCCc2ccccc21
-Absorbance,435026,1944429,CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1
-Absorbance,435026,1949028,CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
-Absorbance,435026,1963406,Cc1c(OC(=O)N(C)C)ccc2c1O/C(=C\c1ccco1)C2=O
-Absorbance,435026,1974732,COCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21
-Absorbance,435026,1976884,O=C(O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21
-Absorbance,435026,1979247,Cc1cc(C)c[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c1
-Absorbance,435026,1980939,O=S(=O)(Nc1nc2ccccc2nc1-[n+]1cccc(N=C([O-])c2ccccc2Cl)c1)c1ccccc1
-Absorbance,435026,2007579,COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
-Absorbance,435026,2025178,COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1
-Absorbance,435026,2025888,CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
-Absorbance,435026,2026916,Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1
-Absorbance,435026,2052604,COCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1
-Absorbance,435026,2054475,COc1ccc2cc(C(C)=O)c(=O)oc2c1
-Absorbance,435026,2080199,COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
-Absorbance,435026,2106461,CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc21
-Absorbance,435026,2145327,Cn1c(NNC(=O)c2cccc3ccccc23)cc(=O)n(C)c1=O
-Absorbance,435026,2152201,Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc54)cccc3C2=O)c1
-Absorbance,435026,2155909,CCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
-Absorbance,435026,2172338,COCCN1C=C(C(=O)OC)C(c2cc(Br)c(OC)c(OC)c2)C(C(=O)OC)=C1
-Absorbance,435026,2172352,CCCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1
-Absorbance,435026,2174253,C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)O)C3=C2C(=O)CC(C)(C)C3)cc1OC
-Absorbance,435026,2235946,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccco1
-Absorbance,435026,2291187,CCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1
-Absorbance,435026,2357239,O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1
-Absorbance,435026,2369069,CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1
-Absorbance,435026,2419651,CCOCCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1
-Absorbance,435026,2450265,CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1
-Absorbance,435026,2479222,CN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1
-Absorbance,435026,2496124,CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)O)cc1
-Absorbance,435026,2552802,CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
-Absorbance,435026,2740179,COC(=O)c1cc(=O)n2c(sc3ccccc32)c1C#N
-Absorbance,435026,2768304,N#Cc1c(-c2ccc3c(c2)OCO3)ccn2nc(-c3cccc(C(F)(F)F)c3)nc12
-Absorbance,435026,2821664,O=C(CCN1CCC(c2ccc(Cl)s2)=N1)c1ccc(Cl)s1
-Absorbance,435026,2842535,Fc1ccccc1N1CC(c2ccccc2)C(c2cccs2)=N1
-Absorbance,435026,2858319,Oc1c(C=Nc2ccccc2)sc2ccccc12
-Absorbance,435026,2909877,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccc(OC)cc3)C2)C1c1ccccn1
-Absorbance,435026,2910257,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccccc3OC)C2)C1c1ccccn1
-Absorbance,435026,2910318,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3cccc(OC)c3)C2)C1c1ccccn1
-Absorbance,435026,2917066,COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1cccc(O)c1
-Absorbance,435026,2917521,CN(C)c1ccc(C2C3C(=O)NC(=O)C3ON2c2ccc(Cl)cc2)cc1
-Absorbance,435026,2919666,CCOC(=O)c1oc2c(CN3CCN(CCO)CC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1
-Absorbance,435026,2949254,CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2OC(C)C)C2=C(CC(c3ccco3)CC2=O)N1
-Absorbance,435026,2972664,CCOC(=O)N1CCC(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1
-Absorbance,435026,2998649,Cc1c(N=Cc2c(O)n(Cc3ccco3)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
-Absorbance,435026,3090127,CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1
-Absorbance,435026,3091112,CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1
-Absorbance,435026,3130545,COc1cc(/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC
-Absorbance,435026,3156458,CCCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12
-Absorbance,435026,3158199,COCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
-Absorbance,435026,3158412,COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1
-Absorbance,435026,3175176,Cc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)cc2c1
-Absorbance,435026,3221571,COCCNC(=S)N1CCCN(c2nc3cc(C)ccc3cc2C#N)CC1
-Absorbance,435026,3221589,CCOCCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N
-Absorbance,435026,3221601,CCOCCCNC(=S)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3
-Absorbance,435026,3221622,Cc1cccc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc12
-Absorbance,435026,3221688,Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12
-Absorbance,435026,3221701,COc1cc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc(OC)c1OC
-Absorbance,435026,3221712,CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
-Absorbance,435026,3227938,COCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
-Absorbance,435026,3236108,CCN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S
-Absorbance,435026,3238489,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1
-Absorbance,435026,3239166,Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2
-Absorbance,435026,3239492,Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
-Absorbance,435026,3239644,Cc1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1
-Absorbance,435026,3242116,CSc1sc(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2
-Absorbance,435026,3245723,CCOC(=O)c1ccc2[nH]cc(C(C)=O)c(=O)c2c1
-Absorbance,435026,3282743,CCOc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)cc1
-Absorbance,435026,3285786,CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2C(N)=O)C1
-Absorbance,435026,3431642,N=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1
-Absorbance,435026,3469750,COc1ccc(Cn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1
-Absorbance,435026,3491650,Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1
-Absorbance,435026,3559378,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1OC
-Absorbance,435026,3563571,COCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
-Absorbance,435026,3584091,COC(=O)c1c(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCN(C)C2
-Absorbance,435026,3649725,CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1
-Absorbance,435026,3694202,Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc(Cl)c2)no1
-Absorbance,435026,3699852,COc1ccc(N=Cc2nc(-c3ccco3)oc2O)cc1
-Absorbance,435026,3724446,CCOC(=O)C1CCCc2c1[nH]c1c(C(N)=O)cccc21
-Absorbance,435026,3724486,CC(C)CCN(CCC(C)C)CC(O)Cn1c2ccccc2c(=O)c2ccccc21
-Absorbance,435026,3739638,O=C(NC(=S)N1CCCCC1c1cccnc1)c1ccc(Br)cc1
-Absorbance,435026,3746589,CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1
-Absorbance,435026,3773029,Cc1ccccc1N=Cc1cc2c(cc1O)OC(N)=C(C#N)C2c1ccccc1
-Absorbance,435026,3776489,COc1ccc(Cn2c(=N)c(C(=O)NCC3CCCO3)cc3c(=O)n4ccccc4nc32)cc1
-Absorbance,435026,3790338,CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
-Absorbance,435026,3829432,CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2
-Absorbance,435026,3941302,CNc1cc(F)nc(F)n1
-Absorbance,435026,3991439,CC(Nc1ncnc2sccc12)c1ccccc1
-Absorbance,435026,4192118,O=C(O)C1CCCC2CN3CCc4c([nH]c5ccccc45)C3C(O)C21
-Absorbance,435026,4199276,Cn1c(=O)c2nc(NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc2n(C)c1=O
-Absorbance,435026,4221396,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCCC3)c2=N)cc1OC
-Absorbance,435026,4221772,CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
-Absorbance,435026,4264319,COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCN3CCOCC3)c2=N)cc1
-Absorbance,435026,4274100,CCCn1c(O)c(C=Nc2ccccc2)sc1=S
-Absorbance,435026,4307096,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1
-Absorbance,435026,4335971,COc1cc2c(cc1OC)CN(CC(O)c1ccccc1)CC2
-Absorbance,435026,4338730,COc1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc(OC)c1OC
-Absorbance,435026,4343310,C=CCN1C=CC(=CC=C(C#N)C#N)C=C1
-Absorbance,435026,4374897,COc1cc(-c2cc3nc4ccccc4n3c(N)c2C#N)cc(OC)c1OC
-Absorbance,435026,4432211,CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1
-Absorbance,435026,4559992,COc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccc(F)cc2)CC1
-Absorbance,435026,4639629,O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1F
-Absorbance,435026,4902156,COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)CC2
-Absorbance,435026,4986167,COC(=O)Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(OC)ccc21
-Absorbance,435026,5088525,Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
-Absorbance,435026,5095459,COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1OC
-Absorbance,435026,5109926,COc1ccc(CCn2c(=N)c(C(=O)NCC3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1
-Absorbance,435026,5296049,Clc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1
-Absorbance,435026,5307548,c1ccc2c(c1)nc(NCC1CCCO1)c1nnnn12
-Absorbance,435026,5307674,Cc1cc(NCc2ccco2)nc2cc(O)ccc12
-Absorbance,435026,5308595,CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1OC
-Absorbance,435026,5309490,CCn1c(C(=O)Nc2ccsc2C(=O)OC)cc2sc(Cl)cc21
-Absorbance,435026,5310872,CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
-Absorbance,435026,5357627,COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1
-Absorbance,435026,5381219,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCCC2
-Absorbance,435026,5389495,CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
-Absorbance,435026,5389511,CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
-Absorbance,435026,5389516,Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCC3
-Absorbance,435026,5389553,CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
-Absorbance,435026,5389605,CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
-Absorbance,435026,5390001,O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1
-Absorbance,435026,5393158,COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1OC
-Absorbance,435026,5401874,CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C
-Absorbance,435026,5407779,Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12
-Absorbance,435026,5413038,O=C(c1ccccc1)c1cc2ccc(O)cc2oc1=O
-Absorbance,435026,5415903,Cc1oc2cc(O)ccc2c(=O)c1-c1nncn1-c1ccccc1
-Absorbance,435026,5422067,CN(C)Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3
-Absorbance,435026,5422815,CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
-Absorbance,435026,5423063,CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
-Absorbance,435026,5423736,COC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
-Absorbance,435026,5574594,COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
-Absorbance,435026,5622697,CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
-Absorbance,435026,5638819,O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(O)cc2o1
-Absorbance,435026,5688422,O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccc(O)cc2o1
-Absorbance,435026,5688424,O=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccc(O)cc2o1
-Absorbance,435026,5693817,CCc1cc2c(COC(=O)c3c(C)noc3C)cc(=O)oc2cc1O
-Absorbance,435026,5710513,Cc1cc(=O)oc2c(CN3CC(C)OC(C)C3)c(O)c(Cl)cc12
-Absorbance,435026,5727752,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1
-Absorbance,435026,5732079,Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCO
-Absorbance,435026,5735906,COc1ccc(C(=O)/C=C\c2ccc(NC(=O)c3cccs3)cc2)cc1
-Absorbance,435026,5738076,O=C(/C=C/c1ccc[nH]1)c1ccc(F)cc1
-Absorbance,435026,5738668,Cc1c(O)ccc2c3c(c(=O)oc12)CCC(C)C3
-Absorbance,435026,5739885,Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
-Absorbance,435026,5740001,CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O
-Absorbance,435026,5742152,COc1ccccc1/C=C/c1nc(C#N)c(N(C)C)o1
-Absorbance,435026,5765576,CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1
-Absorbance,435026,5765579,Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)O)c2ccccc12
-Absorbance,435026,5767037,COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12
-Absorbance,435026,5769276,Clc1ccc(/C=C/c2ncc3ccccn23)cc1
-Absorbance,435026,5771326,COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1
-Absorbance,435026,5774261,CC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1
-Absorbance,435026,5875181,CSc1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
-Absorbance,435026,5911258,CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3
-Absorbance,435026,5919819,COC(=O)C(C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O
-Absorbance,435026,5921518,COCCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O
-Absorbance,435026,5929336,Nc1c(/C=C2\C=Nc3ccccc32)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12
-Absorbance,435026,5929854,O=C(/C=C/c1ccc[nH]1)c1ccccc1
-Absorbance,435026,5933865,COCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O
-Absorbance,435026,5962312,CC1CN(Cc2cc(=O)oc3cc(O)ccc23)CC(C)O1
-Absorbance,435026,5987100,Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCS(=O)(=O)C2)c1
-Absorbance,435026,6017068,Cn1cc(/C=N\O)nc2c(=O)n(-c3ccccc3)c(=O)nc1-2
-Absorbance,435026,6043656,N#Cc1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1
-Absorbance,435026,6075228,CC(NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1)c1ccccc1
-Absorbance,435026,6105983,C=CCNC(=O)/C(C#N)=C/c1c(N2CC(C)OC(C)C2)nc2ccccn2c1=O
-Absorbance,435026,6150569,Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12
-Absorbance,435026,6184270,CC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12
-Absorbance,435026,6217189,Cc1c(CCC(=O)NCCCN2CCCC2=O)c(=O)oc2c(C)c(O)ccc12
-Absorbance,435026,6236173,Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c(O)ccc12
-Absorbance,435026,6257780,CC(=O)c1cc2c(cc1N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)OCO2
-Absorbance,435026,6279969,CN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1
-Absorbance,435026,6398921,CCN(CC)CC.O=C1NC(=S)S/C1=C1\Sc2ccccc2N1CCCS(=O)(=O)O
-Absorbance,435026,6425107,CC(C)(C)Nc1c2ccccc2nc2ccccc12
-Absorbance,435026,6426453,Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12
-Absorbance,435026,6525830,Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)o1
-Absorbance,435026,6887842,Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccco1
-Absorbance,435026,7692888,CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1
-Absorbance,435026,9550341,CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)s1
-Absorbance,435026,9550790,COc1ccc(CCNc2nc3ccccc3n3nnnc23)cc1OC
-Absorbance,435026,9550813,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1C
-Absorbance,435026,9551622,COc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
-Absorbance,435026,9551964,CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
-Absorbance,435026,9583963,COc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
-Absorbance,435026,9677567,O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl
-Absorbance,435026,11969970,C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1
-Absorbance,435026,12004962,CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)OC1=S
-Absorbance,435026,12006124,Cc1nc2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2s1
-Absorbance,435026,15944846,OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
-Absorbance,435026,15996111,CCOCCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12
-Absorbance,435026,16060010,Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1
-Absorbance,435026,16187326,O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
-Absorbance,435026,16194088,Cc1cccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)n1
-Absorbance,435026,16194470,CCOc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
-Absorbance,435026,16194490,COc1ccccc1C(=O)c1cc2ccc(O)cc2oc1=O
-Absorbance,435026,16195588,CS(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
-Absorbance,435026,16195592,CC(C)S(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12
-Absorbance,435026,16403089,CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C
-Absorbance,435026,16406347,Cc1c(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12
-Absorbance,435026,16419480,Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cn2nc1C
-Absorbance,435026,16421250,Cc1ccc(S(=O)(=O)NCCc2cn3nc(C)c(C)nc3n2)cc1C
-Absorbance,435026,16421865,Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2cc(O)c(Cl)cc12
-Absorbance,435026,16727385,O=c1[nH]c(Nc2ccccc2Cl)cc2ccccc12
-Absorbance,435026,16745632,COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O
-Absorbance,435026,16833026,CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1
-Absorbance,435026,17585149,Cc1c(CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(=O)oc2c(C)c(O)ccc12
-Absorbance,435026,18573148,CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1
-Absorbance,435026,20864864,CCc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1
-Absorbance,435026,20864865,O=C(c1ccc(Br)cc1)c1cc2ccc(O)cc2oc1=O
-Absorbance,435026,20864866,O=C(c1ccc(F)cc1)c1cc2ccc(O)cc2oc1=O
-Absorbance,435026,20967569,COc1ccc(-c2nc3ccc(C(=O)NCCCN4CCOCC4)cc3nc2-c2ccc(OC)cc2)cc1
-Absorbance,435026,24746969,Cc1ccc2cc(C#N)c(N3CCCN(C(=S)NCCCN(C)C)CC3)nc2c1
-Absorbance,435026,24746978,COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1
-Absorbance,435026,24747017,COc1cc(C(=O)NCCNc2nc3cc(C)ccc3cc2C#N)cc(OC)c1OC
-Absorbance,435026,24747058,Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1
-Absorbance,435026,24747075,COc1cc(OC)cc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c1
-Absorbance,435026,24747099,COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
-Absorbance,435026,24747278,COc1ccc(CC2NCCC3=CC(=O)CCC32)cc1O
-Absorbance,435026,24747858,Cc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
-Absorbance,435026,24747920,COc1cc2sc3ccc(C#CC4(O)CCCCC4)cc3c(=O)c2cc1OC
-Absorbance,435026,24747923,O=c1c2ccccc2sc2ccc(C#CC3(O)CCCCC3)cc12
-Absorbance,435026,24761354,Cn1c2ccccc2c(=O)c2ccc(F)cc21
-Absorbance,435026,24791400,CC(CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
-Absorbance,435026,24791847,O=C(c1nc2ccc(Cl)cn2c1CN1CCC[C@H]1CO)N1CCCCCCC1
-Absorbance,435026,24792645,CCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F
-Absorbance,435026,24816871,CSCC(C)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
-Absorbance,435026,24817438,CSCC(C)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
-Absorbance,435026,24818828,COc1ccccc1C#Cc1ccc2c(=O)c3ccccc3n(C)c2c1
-Absorbance,435026,24818984,COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(C)CSC)CC1
-Absorbance,435026,54687554,Cc1cccc(C)c1NC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
-Absorbance,435026,135401471,CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)c(O)c1
-Absorbance,435026,135403952,COc1c(O)ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1[N+](=O)[O-]
-Absorbance,435026,135408648,Cc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
-Absorbance,435026,135417573,Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1
-Absorbance,435026,135417574,CCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c2nc(C)nn32)cc1
-Absorbance,435026,135417576,Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccc(F)cc1
-Absorbance,435026,135420943,Oc1nc(Nc2ccccc2)sc1/C=C1\C=Nc2ccccc21
-Absorbance,435026,135435886,CC1(C)CC(=O)C(C=Nc2cccc(/N=C/C3=C(O)CC(C)(C)CC3=O)n2)=C(O)C1
-Absorbance,435026,135439686,O=c1[nH]c(O)c(/C=C2/C=CC(c3cc(Cl)ccc3Cl)=N2)c(=O)[nH]1
-Absorbance,435026,135439721,COc1ccc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)cc1
-Absorbance,435026,135454418,CCOC(=O)c1sc(N/N=C/c2cc(Br)c(O)c(OC)c2)nc1C
-Absorbance,435026,135458255,COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)N=C1C
-Absorbance,435026,135460561,C=CCc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1O
-Absorbance,435026,135466192,Cc1cccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c1C
-Absorbance,435026,135466641,COc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)cc1
-Absorbance,435026,135490296,CC(C)(C)c1cc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O
-Absorbance,435026,135501338,N#C/C(=C/c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1
-Absorbance,435026,135512317,Nc1nc(N2CCOCC2)cc(=O)[nH]1
-Absorbance,435026,135516114,Cc1ccc2nc(/C(C#N)=C/c3ccc(O)c(O)c3)[nH]c2c1
-Absorbance,435026,135517040,Cc1cccc(-n2c(O)c(/C=C/C=Nc3ccccc3)c(=O)[nH]c2=O)c1
-Absorbance,435026,135521524,Cc1cc(Nc2ccccc2)nc2cc(O)ccc12
-Absorbance,435026,135536566,Oc1ccc(Br)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S
-Absorbance,435026,135558932,CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
-Absorbance,435026,135611157,Cc1cc(C)c(C2=CC(c3ccccc3)n3ncnc3N2)cc1C
-Absorbance,435026,135676260,C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O

CHAFF_individual_AIDs/pubchem_aid_488838_active_curated.csv

@@ -1,42 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,488838,990823,NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,488838,2900985,Brc1ccc(-c2csc(N3CCCCC3)n2)cc1
-Luciferase Inhibition,488838,3292095,O=C(O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,488838,44143946,NC(=O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
-Luciferase Inhibition,488838,44143947,Cc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
-Luciferase Inhibition,488838,44143948,NC(=O)C1CCN(c2nc(-c3ccc4ccccc4c3)cs2)CC1
-Luciferase Inhibition,488838,44144338,NC(=O)C1CCN(c2nc(-c3ccccc3F)cs2)CC1
-Luciferase Inhibition,488838,44144346,NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1
-Luciferase Inhibition,488838,44144366,CN(C)c1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1
-Luciferase Inhibition,488838,44144368,Cn1ccc2cc(-c3csc(N4CCC(C(N)=O)CC4)n3)ccc21
-Luciferase Inhibition,488838,44144370,NC(=O)C1CCN(c2nc(-c3cc4ccccc4o3)cs2)CC1
-Luciferase Inhibition,488838,46907662,NC(=O)C1CCN(c2ncc(-c3ccc(Br)cc3)s2)CC1
-Luciferase Inhibition,488838,46907664,CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
-Luciferase Inhibition,488838,46907666,O=C(O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1
-Luciferase Inhibition,488838,46907672,NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1
-Luciferase Inhibition,488838,46907675,NC(=O)C1CCN(c2nc(-c3cccc4sc5ccccc5c34)cs2)CC1
-Luciferase Inhibition,488838,46907686,O=C(Nc1ccccc1)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1
-Luciferase Inhibition,488838,46907687,CCOC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1
-Luciferase Inhibition,488838,46907691,NC(=O)C1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1
-Luciferase Inhibition,488838,46907692,Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)cc1
-Luciferase Inhibition,488838,46907695,NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OC(F)(F)O4)s2)CC1
-Luciferase Inhibition,488838,46907698,NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCO4)s2)CC1
-Luciferase Inhibition,488838,46907699,NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1
-Luciferase Inhibition,488838,46907703,CN(C)c1cccc(-c2cnc(N3CCC(c4ncc[nH]4)CC3)s2)c1
-Luciferase Inhibition,488838,46907708,CC(C)Oc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
-Luciferase Inhibition,488838,46907714,NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)CC1
-Luciferase Inhibition,488838,46907715,NC(=O)C1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1
-Luciferase Inhibition,488838,46907716,COc1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1
-Luciferase Inhibition,488838,46907723,CN(C)C(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,488838,46907724,NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,488838,46907728,NC(=O)C1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1
-Luciferase Inhibition,488838,46907732,c1c[nH]c(C2CCN(c3ncc(-c4ccc5c(c4)OCCCO5)s3)CC2)n1
-Luciferase Inhibition,488838,46907733,Cc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1
-Luciferase Inhibition,488838,46907737,CC(=O)N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
-Luciferase Inhibition,488838,46907746,NC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCCO4)s2)CC1
-Luciferase Inhibition,488838,46907748,NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)s2)CC1
-Luciferase Inhibition,488838,46907749,NC(=O)C1CCN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CC1
-Luciferase Inhibition,488838,46907750,CC(C)Oc1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1
-Luciferase Inhibition,488838,46907753,CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1
-Luciferase Inhibition,488838,46907754,Brc1ccc(-c2csc(N3CCC(c4nn[nH]n4)CC3)n2)cc1
-Luciferase Inhibition,488838,46907755,CC(=O)C1CCN(c2ncc(-c3cccc(N(C)C)c3)s2)CC1

CHAFF_individual_AIDs/pubchem_aid_493175_active_curated.csv

@@ -1 +0,0 @@
-Type,AID,CID,SMILES

CHAFF_individual_AIDs/pubchem_aid_504689_active_curated.csv

@@ -1,41 +0,0 @@
-Type,AID,CID,SMILES
-Absorbance,504689,65558,O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1
-Absorbance,504689,165308,O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1
-Absorbance,504689,616267,COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
-Absorbance,504689,652912,COc1cccc2c1NC(C(=O)O)C1CC=CC21
-Absorbance,504689,854635,c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1
-Absorbance,504689,1833641,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1
-Absorbance,504689,1837712,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1
-Absorbance,504689,1838764,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1
-Absorbance,504689,2080746,CN(C)CCCn1c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc2c1=O
-Absorbance,504689,5430631,COc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br
-Absorbance,504689,5773323,Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1
-Absorbance,504689,6603748,N#CSc1ccc2oc(C3=NCCN3)cc2c1
-Absorbance,504689,9586497,NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
-Absorbance,504689,9594974,COc1ccc2nc(C)cc(N/N=C/c3ccc(F)cc3)c2c1
-Absorbance,504689,9594976,COc1ccc(/C=N/Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1
-Absorbance,504689,16239425,NC(N)=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
-Absorbance,504689,16682517,CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
-Absorbance,504689,16746136,CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(-c5ccc(C#N)cc5)c4)cc(OC)c3)cc2C(F)(F)F)CC1
-Absorbance,504689,18567276,COc1ccnc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C
-Absorbance,504689,22332182,Nc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5[nH]4)n3)[nH]c2c1
-Absorbance,504689,24978563,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(CCCC(=O)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,24978566,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,24978568,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,24978573,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,24978595,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)n1
-Absorbance,504689,24978599,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
-Absorbance,504689,24981563,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,24983076,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
-Absorbance,504689,24983198,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)n1
-Absorbance,504689,24983199,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)n1
-Absorbance,504689,25162994,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1
-Absorbance,504689,25162995,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)n1
-Absorbance,504689,25162997,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)n3cc(CCCCCN)nn3)CC2)n1
-Absorbance,504689,25163000,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)CC)n3cc(CCCCCN)nn3)CC2)n1
-Absorbance,504689,25163007,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)n1
-Absorbance,504689,25163023,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)n1
-Absorbance,504689,25163050,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
-Absorbance,504689,42628596,C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(CCO)nn3)CC2)n1
-Absorbance,504689,44142411,CN1CCN(c2cc(-c3cc(O)c4ncccc4c3)ccn2)CC1
-Absorbance,504689,54676677,CCCCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21

CHAFF_individual_AIDs/pubchem_aid_585_active_filtered_curated.csv

@@ -1,1166 +0,0 @@
-Type,AID,CID,SMILES
-Colloidal Aggregators,585,3218,CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
-Colloidal Aggregators,585,3565,CC1=NCCc2c1[nH]c1cc(O)ccc21
-Colloidal Aggregators,585,3598,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
-Colloidal Aggregators,585,3727,NC(=O)CI
-Colloidal Aggregators,585,4871,CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2
-Colloidal Aggregators,585,5578,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
-Colloidal Aggregators,585,6815,CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
-Colloidal Aggregators,585,7308,Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
-Colloidal Aggregators,585,7570,O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1
-Colloidal Aggregators,585,8371,O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
-Colloidal Aggregators,585,11937,Nc1ccc2cc3ccccc3cc2c1
-Colloidal Aggregators,585,16918,Nc1ccc(-c2ccc(N)c(O)c2)cc1O
-Colloidal Aggregators,585,22463,Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1
-Colloidal Aggregators,585,33755,N[C@@H](Cc1cc(O)c(O)cc1O)C(=O)O
-Colloidal Aggregators,585,80733,O=C1c2cc([N+](=O)[O-])ccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1cc([N+](=O)[O-])ccc1-5
-Colloidal Aggregators,585,95170,Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
-Colloidal Aggregators,585,114771,NC(=NCc1ccc(Cl)c(Cl)c1)NC(=O)c1nc(Cl)c(N)nc1N
-Colloidal Aggregators,585,128355,O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1
-Colloidal Aggregators,585,152215,CN1CC=C(c2c[nH]c3ccccc23)CC1
-Colloidal Aggregators,585,219050,Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
-Colloidal Aggregators,585,225805,O=C(Nc1ccc([Sb](=O)(O)O)cc1)c1ccccc1
-Colloidal Aggregators,585,274104,O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21
-Colloidal Aggregators,585,274127,O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
-Colloidal Aggregators,585,284052,CC1C(=O)CC(c2ccccc2)N(C)C1c1ccccc1
-Colloidal Aggregators,585,419920,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
-Colloidal Aggregators,585,535812,Clc1ccc(-c2nnc(N3CCCC3)nn2)cc1
-Colloidal Aggregators,585,579610,CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1
-Colloidal Aggregators,585,585128,Cc1cc(NC(=O)C2COc3ccccc3O2)no1
-Colloidal Aggregators,585,598633,O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH][nH]1
-Colloidal Aggregators,585,625239,N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N
-Colloidal Aggregators,585,629074,N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N
-Colloidal Aggregators,585,644388,COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1.O=C(O)C(=O)O
-Colloidal Aggregators,585,644471,CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1
-Colloidal Aggregators,585,644889,O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc21
-Colloidal Aggregators,585,644898,O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
-Colloidal Aggregators,585,644901,Oc1ccc(CNc2ccccc2)c2cccnc12
-Colloidal Aggregators,585,644956,Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12
-Colloidal Aggregators,585,645898,O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(N2CCCCCC2)cc1
-Colloidal Aggregators,585,646004,O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(OCc2ccccc2)cc1
-Colloidal Aggregators,585,646403,COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
-Colloidal Aggregators,585,646546,COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1
-Colloidal Aggregators,585,646620,O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1
-Colloidal Aggregators,585,646749,COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1
-Colloidal Aggregators,585,647000,COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1
-Colloidal Aggregators,585,647102,Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1
-Colloidal Aggregators,585,647198,Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(O)cc2O)cc1
-Colloidal Aggregators,585,648057,Nc1nc2c(s1)CC(c1ccccc1)CC2
-Colloidal Aggregators,585,648470,COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
-Colloidal Aggregators,585,648581,Oc1ccc(CNc2ccc(F)cc2)c2cccnc12
-Colloidal Aggregators,585,648851,COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1
-Colloidal Aggregators,585,649354,N#CC(=C1CCCC1)c1nc(-c2ccccc2O)cs1
-Colloidal Aggregators,585,649581,N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2
-Colloidal Aggregators,585,649877,CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1
-Colloidal Aggregators,585,649891,Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
-Colloidal Aggregators,585,650207,O=C(Oc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl
-Colloidal Aggregators,585,650283,CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C
-Colloidal Aggregators,585,650995,Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2
-Colloidal Aggregators,585,651110,Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3
-Colloidal Aggregators,585,652021,N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
-Colloidal Aggregators,585,652041,Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
-Colloidal Aggregators,585,652854,Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1
-Colloidal Aggregators,585,653034,O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1
-Colloidal Aggregators,585,653178,Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1
-Colloidal Aggregators,585,653298,O=C(Cn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21)c1ccccc1
-Colloidal Aggregators,585,653728,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
-Colloidal Aggregators,585,653742,O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1
-Colloidal Aggregators,585,653858,O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1
-Colloidal Aggregators,585,654055,CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1
-Colloidal Aggregators,585,654292,O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
-Colloidal Aggregators,585,654475,COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2Cc2ccco2)cc1
-Colloidal Aggregators,585,654954,Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1
-Colloidal Aggregators,585,654955,CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
-Colloidal Aggregators,585,654958,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCc2ccccc21)OCO3
-Colloidal Aggregators,585,655046,Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1
-Colloidal Aggregators,585,655334,O=C(CSc1nnc(Cc2csc(Nc3cccc(Cl)c3)n2)o1)N1CCc2ccccc21
-Colloidal Aggregators,585,655761,O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)c1ccc(F)cc1
-Colloidal Aggregators,585,656122,COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1
-Colloidal Aggregators,585,656151,COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1
-Colloidal Aggregators,585,656178,CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1
-Colloidal Aggregators,585,656185,Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N)sc4c3)cc2s1
-Colloidal Aggregators,585,658006,CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
-Colloidal Aggregators,585,658080,N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
-Colloidal Aggregators,585,661093,O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl
-Colloidal Aggregators,585,661368,COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
-Colloidal Aggregators,585,663373,CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccc(C)cc3)coc12
-Colloidal Aggregators,585,664274,COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1oc1ccccc12
-Colloidal Aggregators,585,664479,C=C(C)COc1ccc(-c2[nH]ncc2Oc2cccc(OC)c2)c(O)c1
-Colloidal Aggregators,585,664769,CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1
-Colloidal Aggregators,585,664839,COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1
-Colloidal Aggregators,585,664844,CCOc1c(C(N)=O)c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n12
-Colloidal Aggregators,585,664963,Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nn[nH]n3)ccc12
-Colloidal Aggregators,585,665063,O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1
-Colloidal Aggregators,585,665855,CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1
-Colloidal Aggregators,585,666034,Cc1ccc(C2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1
-Colloidal Aggregators,585,666162,Cc1cccc(N2CSC3=C(C#N)C(c4ccc(C)o4)CC(=O)N3C2)c1
-Colloidal Aggregators,585,666198,Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1
-Colloidal Aggregators,585,666716,COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1
-Colloidal Aggregators,585,675027,O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
-Colloidal Aggregators,585,676308,O=c1c(O)c(-c2ccc(O)cc2)oc2ccc(O)cc12
-Colloidal Aggregators,585,687901,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1
-Colloidal Aggregators,585,693688,CC(C)CNc1oc(-c2ccc(F)cc2)nc1C#N
-Colloidal Aggregators,585,697506,CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
-Colloidal Aggregators,585,708043,Cc1ccsc1C=Nc1ccc(O)cc1
-Colloidal Aggregators,585,711930,COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C(C)(C)C2
-Colloidal Aggregators,585,713501,COC(=O)C1=C(C)Nc2ccc(C)cc2S1
-Colloidal Aggregators,585,714914,C=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1
-Colloidal Aggregators,585,714973,COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
-Colloidal Aggregators,585,715192,Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1
-Colloidal Aggregators,585,715198,Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1
-Colloidal Aggregators,585,717599,Cc1cc(NC(=O)Cc2cccs2)no1
-Colloidal Aggregators,585,717866,COC(=O)c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1
-Colloidal Aggregators,585,718518,Cc1nc(N(C)C)c2sc(=S)n(C)c2n1
-Colloidal Aggregators,585,718697,COc1ccc(Cc2nc(-c3cccs3)no2)cc1OC
-Colloidal Aggregators,585,718812,Brc1ccc(-c2noc(CCc3ccccc3)n2)o1
-Colloidal Aggregators,585,718822,COc1ccccc1Cc1nc(-c2ccc(Br)o2)no1
-Colloidal Aggregators,585,718849,COC(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1
-Colloidal Aggregators,585,719062,CN(C)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
-Colloidal Aggregators,585,720491,Oc1ccc(N=Cc2ccc(O)c(O)c2)cc1
-Colloidal Aggregators,585,724183,CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1
-Colloidal Aggregators,585,726503,Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
-Colloidal Aggregators,585,730934,CCOc1ccc2[nH]c(C)cc(=O)c2c1
-Colloidal Aggregators,585,738658,Nc1ccc(O)c(-c2nc3ccccc3s2)c1
-Colloidal Aggregators,585,742647,CCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1
-Colloidal Aggregators,585,747064,Cc1cc(NS(=O)(=O)c2ccccc2)no1
-Colloidal Aggregators,585,747077,CN(C)c1cc(NC(=O)CN2CCOCC2)c2ccccc2n1
-Colloidal Aggregators,585,752948,Cn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1
-Colloidal Aggregators,585,756599,Cc1cccc(OCC(=O)NCc2ccncc2)c1C
-Colloidal Aggregators,585,762653,COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
-Colloidal Aggregators,585,763581,CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
-Colloidal Aggregators,585,764011,O=C(Cc1ccc2c(c1)OCCO2)c1c(O)cc(O)cc1O
-Colloidal Aggregators,585,781244,Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1
-Colloidal Aggregators,585,784994,Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2O)n1
-Colloidal Aggregators,585,785027,COc1ccccc1Nc1nc(-c2cccs2)cs1
-Colloidal Aggregators,585,785375,COCc1cc(C)nc(N2CCOCC2)c1C#N
-Colloidal Aggregators,585,786192,Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1
-Colloidal Aggregators,585,790705,COc1ccc(NC(=O)Nc2cccc(C)n2)cc1
-Colloidal Aggregators,585,794372,CCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1
-Colloidal Aggregators,585,797232,COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1
-Colloidal Aggregators,585,802935,COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C
-Colloidal Aggregators,585,821625,COc1ccc(C(=O)Nc2nncs2)c(OC)c1
-Colloidal Aggregators,585,825714,N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Oc2ccccc2)c1
-Colloidal Aggregators,585,829783,O=c1oc2ccccc2n1Cc1ccccc1Cl
-Colloidal Aggregators,585,831446,O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1
-Colloidal Aggregators,585,845176,NC(=O)COc1ccc(=O)n(-c2ccccc2)n1
-Colloidal Aggregators,585,846975,COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
-Colloidal Aggregators,585,846995,CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1
-Colloidal Aggregators,585,854410,CC(=O)Nc1nc(-c2ccc(Br)s2)cs1
-Colloidal Aggregators,585,868665,NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
-Colloidal Aggregators,585,869690,O=C1CCC(=O)N1c1cccc(-c2nc3ccccc3o2)c1
-Colloidal Aggregators,585,873462,NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1
-Colloidal Aggregators,585,873495,Cc1ccc(NC(=O)CSC(N)=O)cc1Cl
-Colloidal Aggregators,585,873501,NC(=O)SCC(=O)Nc1cccc(Cl)c1
-Colloidal Aggregators,585,888278,O=C(NCc1ccc2c(c1)OCO2)Oc1ccccc1
-Colloidal Aggregators,585,891782,COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
-Colloidal Aggregators,585,892397,CN(C)CCNc1oc(-c2ccccc2F)nc1C#N
-Colloidal Aggregators,585,892465,C=C(C)CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
-Colloidal Aggregators,585,892575,N#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1
-Colloidal Aggregators,585,892585,N#Cc1nc(-c2ccccc2F)oc1NC1CCCCC1
-Colloidal Aggregators,585,894041,C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(C)cc1
-Colloidal Aggregators,585,899817,Cn1cc(C(=O)c2ccccc2)c2ccccc21
-Colloidal Aggregators,585,912578,COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC
-Colloidal Aggregators,585,936609,Cn1c(NCc2ccccc2Cl)nc2ccccc21
-Colloidal Aggregators,585,943623,COC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
-Colloidal Aggregators,585,944279,N#C/C(C(=O)c1ccccc1)=C1/SC=C(N)N1c1ccccc1
-Colloidal Aggregators,585,944995,O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1
-Colloidal Aggregators,585,949824,CN(C)c1oc(-c2ccccc2F)nc1C#N
-Colloidal Aggregators,585,963166,O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12
-Colloidal Aggregators,585,971668,COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
-Colloidal Aggregators,585,972711,O=C(NCCN1CCc2ccccc2C1)Nc1ccc(F)cc1
-Colloidal Aggregators,585,974823,CC(C)N(Cc1nc2ccccc2[nH]1)C(C)C
-Colloidal Aggregators,585,975382,CCCn1c(OC)nc2c1c(=O)n(C)c(=O)n2C
-Colloidal Aggregators,585,977002,CSc1nc(-c2ccco2)nn1C(=O)c1ccco1
-Colloidal Aggregators,585,978969,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1C
-Colloidal Aggregators,585,1015460,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1
-Colloidal Aggregators,585,1078338,CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1
-Colloidal Aggregators,585,1079878,Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1
-Colloidal Aggregators,585,1080842,C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1
-Colloidal Aggregators,585,1082618,CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
-Colloidal Aggregators,585,1085450,COc1cccc(OCc2nc3ccccc3[nH]2)c1
-Colloidal Aggregators,585,1085718,NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1
-Colloidal Aggregators,585,1088428,CSc1nc(-c2ccco2)nn1C(=O)c1ccc(C)cc1
-Colloidal Aggregators,585,1088996,O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,1089006,COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1
-Colloidal Aggregators,585,1089055,Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
-Colloidal Aggregators,585,1090716,CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1
-Colloidal Aggregators,585,1091396,CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1
-Colloidal Aggregators,585,1091701,CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1
-Colloidal Aggregators,585,1115755,CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
-Colloidal Aggregators,585,1136482,O=C(COC(=O)c1ccc(Br)o1)Nc1nc2ccccc2s1
-Colloidal Aggregators,585,1161245,O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1
-Colloidal Aggregators,585,1163207,O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1
-Colloidal Aggregators,585,1178171,O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccco1
-Colloidal Aggregators,585,1178217,COc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc(=O)c2c1OC
-Colloidal Aggregators,585,1192504,CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1
-Colloidal Aggregators,585,1214212,CC(C)CCNC(=O)Cn1c(NCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C
-Colloidal Aggregators,585,1222333,Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
-Colloidal Aggregators,585,1224550,Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1
-Colloidal Aggregators,585,1236382,Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
-Colloidal Aggregators,585,1244312,O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCO2
-Colloidal Aggregators,585,1246514,CCSc1nnc(NC(=O)c2ccc(Br)s2)s1
-Colloidal Aggregators,585,1247744,O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,1258047,Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1
-Colloidal Aggregators,585,1258402,O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
-Colloidal Aggregators,585,1259833,N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1
-Colloidal Aggregators,585,1265263,Clc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1
-Colloidal Aggregators,585,1267684,Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1
-Colloidal Aggregators,585,1267915,CCOC(=O)c1c(CN(CC)CC)oc2cc(Br)c(O)cc12
-Colloidal Aggregators,585,1293981,O=C(Nc1ccc(F)cc1F)N1CCN(C/C=C/c2ccccc2)CC1
-Colloidal Aggregators,585,1299119,Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
-Colloidal Aggregators,585,1305863,O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
-Colloidal Aggregators,585,1306224,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)n1
-Colloidal Aggregators,585,1324119,COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2C#N)cc1OC
-Colloidal Aggregators,585,1342143,COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1
-Colloidal Aggregators,585,1369549,O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1
-Colloidal Aggregators,585,1378195,Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C
-Colloidal Aggregators,585,1379996,CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1
-Colloidal Aggregators,585,1503091,c1csc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1
-Colloidal Aggregators,585,1505151,CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O
-Colloidal Aggregators,585,1505166,COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1
-Colloidal Aggregators,585,1517734,COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1OC
-Colloidal Aggregators,585,1517735,COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)o2)no1
-Colloidal Aggregators,585,1519118,CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)CCC2=O)cc1
-Colloidal Aggregators,585,1520648,Fc1ccc(OCc2nc(-c3ccc(Br)o3)no2)c(F)c1
-Colloidal Aggregators,585,1521397,O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3o2)CC1
-Colloidal Aggregators,585,1562735,CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
-Colloidal Aggregators,585,1566039,CCCCN(C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O
-Colloidal Aggregators,585,1589755,O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1
-Colloidal Aggregators,585,1631471,CC1CCN(C(=O)CN2C(=O)C(=O)c3ccccc32)CC1
-Colloidal Aggregators,585,1633306,Cc1cc(=O)oc2cc(OCC#N)ccc12
-Colloidal Aggregators,585,1844411,O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1
-Colloidal Aggregators,585,1979250,CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccco3)CC1)OCO2
-Colloidal Aggregators,585,2036061,CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
-Colloidal Aggregators,585,2056604,NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1
-Colloidal Aggregators,585,2080363,O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cc2ccccc2o1
-Colloidal Aggregators,585,2081892,Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1
-Colloidal Aggregators,585,2088447,O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3cccs3)c12
-Colloidal Aggregators,585,2093896,Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc(Br)s3)cc2)n1
-Colloidal Aggregators,585,2093934,Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N
-Colloidal Aggregators,585,2099531,Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3cccs3)c2c1=O
-Colloidal Aggregators,585,2102480,Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1
-Colloidal Aggregators,585,2102825,CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
-Colloidal Aggregators,585,2108058,COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1
-Colloidal Aggregators,585,2114737,O=C(Cn1cnnn1)OCC(=O)c1ccc(Cl)s1
-Colloidal Aggregators,585,2115913,Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1
-Colloidal Aggregators,585,2117743,Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1
-Colloidal Aggregators,585,2120919,O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
-Colloidal Aggregators,585,2125826,O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
-Colloidal Aggregators,585,2127774,O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1
-Colloidal Aggregators,585,2129280,O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1
-Colloidal Aggregators,585,2134347,COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(OC)c1
-Colloidal Aggregators,585,2134349,COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N
-Colloidal Aggregators,585,2135887,COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1
-Colloidal Aggregators,585,2135890,COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1
-Colloidal Aggregators,585,2135896,COc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
-Colloidal Aggregators,585,2135897,COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N
-Colloidal Aggregators,585,2141777,CCOC(=O)CN1C(=O)C(=O)c2cccc(C)c21
-Colloidal Aggregators,585,2144138,CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccco4)sc3nc2=O)cc1
-Colloidal Aggregators,585,2155684,O=C(CSc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1
-Colloidal Aggregators,585,2158877,CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
-Colloidal Aggregators,585,2158903,CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
-Colloidal Aggregators,585,2158939,COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1
-Colloidal Aggregators,585,2158952,COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1
-Colloidal Aggregators,585,2161611,O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
-Colloidal Aggregators,585,2161776,O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2
-Colloidal Aggregators,585,2192919,CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
-Colloidal Aggregators,585,2207086,CCCCCc1nnc(NC(=O)Cc2cccs2)s1
-Colloidal Aggregators,585,2215682,COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
-Colloidal Aggregators,585,2219315,CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21
-Colloidal Aggregators,585,2223441,C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
-Colloidal Aggregators,585,2234300,N#Cc1c(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)oc(-c2ccccc2)c1-c1ccccc1
-Colloidal Aggregators,585,2241597,Nc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1
-Colloidal Aggregators,585,2253990,COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1
-Colloidal Aggregators,585,2297232,C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
-Colloidal Aggregators,585,2312882,N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1
-Colloidal Aggregators,585,2314542,CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21
-Colloidal Aggregators,585,2316382,CN(C)P(=O)(C(=Nc1ccccc1)N1CCCC1)N1CCCC1
-Colloidal Aggregators,585,2327228,O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
-Colloidal Aggregators,585,2348861,O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12
-Colloidal Aggregators,585,2354951,Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1
-Colloidal Aggregators,585,2361005,O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1
-Colloidal Aggregators,585,2368254,O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,2372380,O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1
-Colloidal Aggregators,585,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Colloidal Aggregators,585,2381290,O=C(CSCc1ccco1)c1ccc(Cl)s1
-Colloidal Aggregators,585,2382051,O=C(CSCc1ccc(Cl)cc1)c1ccco1
-Colloidal Aggregators,585,2403348,Cc1ccc(-n2nnnc2SCC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1
-Colloidal Aggregators,585,2404328,O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
-Colloidal Aggregators,585,2410616,COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl
-Colloidal Aggregators,585,2415029,O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1
-Colloidal Aggregators,585,2421674,N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1
-Colloidal Aggregators,585,2434102,O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,2506246,CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1
-Colloidal Aggregators,585,2514971,Cn1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2
-Colloidal Aggregators,585,2524087,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
-Colloidal Aggregators,585,2532303,Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1
-Colloidal Aggregators,585,2564305,O=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1
-Colloidal Aggregators,585,2566824,Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,2569391,Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1Cc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,2570225,N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1
-Colloidal Aggregators,585,2571427,COC(=O)c1ccc(CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1
-Colloidal Aggregators,585,2591248,O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1
-Colloidal Aggregators,585,2609902,O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1
-Colloidal Aggregators,585,2613804,CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC
-Colloidal Aggregators,585,2620816,NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1
-Colloidal Aggregators,585,2621130,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1
-Colloidal Aggregators,585,2735646,CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1
-Colloidal Aggregators,585,2766147,COC(=O)c1ccc2c(c1)NC(=O)C1CCCN21
-Colloidal Aggregators,585,2785463,Cn1c(=O)c2nc(-c3ccc(Cl)cc3Cl)oc2c2ccccc21
-Colloidal Aggregators,585,2792502,CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)c(Br)c1
-Colloidal Aggregators,585,2792916,CC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OCc2ccccc2)c1
-Colloidal Aggregators,585,2835608,CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCc2ccccc2)N1
-Colloidal Aggregators,585,2859649,CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
-Colloidal Aggregators,585,2862216,CCc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C(C(C)=O)=C(C)N2)cc1
-Colloidal Aggregators,585,2881154,CCn1ccnc1C(O)c1cccc(OC)c1OC
-Colloidal Aggregators,585,2900156,COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC
-Colloidal Aggregators,585,2901315,CCCCn1c(NCc2ccccc2O)nc2ccccc21
-Colloidal Aggregators,585,2913184,Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1
-Colloidal Aggregators,585,2913199,O=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1
-Colloidal Aggregators,585,2915104,COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1
-Colloidal Aggregators,585,2941638,O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1
-Colloidal Aggregators,585,2942078,CCCCSc1c(C)c2cc3c(cc2[nH]c1=O)OCO3
-Colloidal Aggregators,585,2943507,CC(O)Cc1nsc(NC(=O)c2cccs2)n1
-Colloidal Aggregators,585,2943663,Cc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1
-Colloidal Aggregators,585,2945318,CC1=C(C(=O)OC(C)C)C(c2cccnc2)n2ncnc2N1
-Colloidal Aggregators,585,2945448,CC1=C(C(=O)OC(C)C)C(c2cccs2)n2ncnc2N1
-Colloidal Aggregators,585,2947059,CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC)C4C2=O)cc1
-Colloidal Aggregators,585,2947164,COc1cccc(C2CC(c3ccccc3OC)n3ncnc3N2)c1
-Colloidal Aggregators,585,2947422,COc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1
-Colloidal Aggregators,585,2947579,COc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,2947662,Fc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1
-Colloidal Aggregators,585,2947711,O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1
-Colloidal Aggregators,585,2948020,COc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1
-Colloidal Aggregators,585,2948202,CCOc1ccc(C2CC(c3ccc(F)cc3)n3ncnc3N2)cc1
-Colloidal Aggregators,585,2949878,CCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21
-Colloidal Aggregators,585,2957275,CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1
-Colloidal Aggregators,585,2983249,O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2
-Colloidal Aggregators,585,2987737,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1
-Colloidal Aggregators,585,2989398,CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1
-Colloidal Aggregators,585,2990518,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1
-Colloidal Aggregators,585,2992266,Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(c1ccco1)C2
-Colloidal Aggregators,585,2997570,Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
-Colloidal Aggregators,585,2997573,Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)no1
-Colloidal Aggregators,585,2998061,Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12
-Colloidal Aggregators,585,2998581,Cn1c(C(C#N)C(=O)c2sc3ccccc3c2Cl)nc2ccccc21
-Colloidal Aggregators,585,2998793,O=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1
-Colloidal Aggregators,585,2998795,CC(C)CC(C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N)N1C(=O)c2ccccc2C1=O
-Colloidal Aggregators,585,2998964,CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
-Colloidal Aggregators,585,2998968,Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1
-Colloidal Aggregators,585,2999016,N#Cc1c(NC(=O)COC(=O)C2CC3C=CC2C3)oc(-c2ccccc2)c1-c1ccccc1
-Colloidal Aggregators,585,2999395,Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1
-Colloidal Aggregators,585,2999703,Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1
-Colloidal Aggregators,585,2999713,Cc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1
-Colloidal Aggregators,585,3000142,CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
-Colloidal Aggregators,585,3000165,O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12
-Colloidal Aggregators,585,3066874,CCCCn1c(NCCO)nc2ccccc21
-Colloidal Aggregators,585,3083585,Oc1ccc(O)c2c(O)cccc12
-Colloidal Aggregators,585,3097584,COc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1
-Colloidal Aggregators,585,3129754,O=C1C2=C(Nc3ccccc3SC2c2ccco2)c2ccccc21
-Colloidal Aggregators,585,3133530,O=C(Nc1ccc(O)cc1)C1CC=CCC1
-Colloidal Aggregators,585,3145657,CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1
-Colloidal Aggregators,585,3154610,CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1
-Colloidal Aggregators,585,3154648,CCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2
-Colloidal Aggregators,585,3154649,CCC(C)N1CC23C=CC(O2)C(C(=O)OC)C3C1=O
-Colloidal Aggregators,585,3156042,CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1
-Colloidal Aggregators,585,3158993,COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1
-Colloidal Aggregators,585,3160872,CCOc1cc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O
-Colloidal Aggregators,585,3160888,COc1ccccc1N1CSC2=C(C#N)C(c3ccc(SC)cc3)CC(=O)N2C1
-Colloidal Aggregators,585,3160897,COc1ccc(N2CSC3=C(C#N)C(c4cccc(OC)c4OC)CC(=O)N3C2)cc1
-Colloidal Aggregators,585,3163338,COC(=O)CN1C(=O)COc2ccc(Cl)cc21
-Colloidal Aggregators,585,3235640,CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N
-Colloidal Aggregators,585,3235681,O=C(NCc1ccccc1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O
-Colloidal Aggregators,585,3235687,Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1
-Colloidal Aggregators,585,3236216,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1
-Colloidal Aggregators,585,3236656,O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CS(=O)(=O)C2
-Colloidal Aggregators,585,3237050,COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3cccc(Br)c3)c2cc1OC
-Colloidal Aggregators,585,3237087,COc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1OC
-Colloidal Aggregators,585,3237126,O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1
-Colloidal Aggregators,585,3237320,Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1
-Colloidal Aggregators,585,3237506,COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1
-Colloidal Aggregators,585,3237822,Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1
-Colloidal Aggregators,585,3238351,O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1
-Colloidal Aggregators,585,3239878,O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
-Colloidal Aggregators,585,3240162,CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
-Colloidal Aggregators,585,3240188,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1
-Colloidal Aggregators,585,3240191,O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1
-Colloidal Aggregators,585,3240355,CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2
-Colloidal Aggregators,585,3240606,CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12
-Colloidal Aggregators,585,3241124,CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1
-Colloidal Aggregators,585,3241422,c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
-Colloidal Aggregators,585,3241596,O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
-Colloidal Aggregators,585,3241732,N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1
-Colloidal Aggregators,585,3241810,COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1
-Colloidal Aggregators,585,3242024,Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1
-Colloidal Aggregators,585,3242177,COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1
-Colloidal Aggregators,585,3242403,O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
-Colloidal Aggregators,585,3242458,O=C1Nc2ccccc2SC(c2ccccc2)C1O
-Colloidal Aggregators,585,3242459,O=C(CSc1nc2cc3c(cc2c(=O)n1CCC1=CCCCC1)OCO3)NCc1ccco1
-Colloidal Aggregators,585,3242698,Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
-Colloidal Aggregators,585,3242904,COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2
-Colloidal Aggregators,585,3243174,COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1
-Colloidal Aggregators,585,3243282,CCCCn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O
-Colloidal Aggregators,585,3243386,Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12
-Colloidal Aggregators,585,3243512,O=c1[nH]c2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2
-Colloidal Aggregators,585,3243517,OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1
-Colloidal Aggregators,585,3244550,COc1cccc(CNC(=O)Nc2cccs2)c1
-Colloidal Aggregators,585,3244706,N#Cc1c(-c2ccc(Cl)cc2Cl)nc2n(c1=O)CCS2
-Colloidal Aggregators,585,3244838,Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1
-Colloidal Aggregators,585,3244852,Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1
-Colloidal Aggregators,585,3244953,Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1
-Colloidal Aggregators,585,3245443,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1
-Colloidal Aggregators,585,3245694,CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
-Colloidal Aggregators,585,3245845,O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nc(-c2ccccc2)ns1
-Colloidal Aggregators,585,3245920,Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1
-Colloidal Aggregators,585,3248000,O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1
-Colloidal Aggregators,585,3248905,CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)CC1
-Colloidal Aggregators,585,3303327,Cc1nn(Cc2nc(-c3cccs3)no2)c(C)c1Br
-Colloidal Aggregators,585,3332422,COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1
-Colloidal Aggregators,585,3345560,Cc1cccc(C2CC(c3ccc(F)cc3)Nc3ncnn32)c1
-Colloidal Aggregators,585,3349315,CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)OC)cc1
-Colloidal Aggregators,585,3367903,Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1
-Colloidal Aggregators,585,3378072,CCC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1
-Colloidal Aggregators,585,3384365,Cc1cccc(NCc2nc(-c3ccccc3)no2)c1
-Colloidal Aggregators,585,3398598,Cc1cccc(C)c1OCC(O)Cn1ccnc1C
-Colloidal Aggregators,585,3406810,CCOC(=O)CSc1nn(C)c(=S)s1
-Colloidal Aggregators,585,3406871,O=C(CCCCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1
-Colloidal Aggregators,585,3406872,Cc1nnc(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1
-Colloidal Aggregators,585,3406874,Cc1c(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C
-Colloidal Aggregators,585,3413463,Cc1c(C(=O)N2CCCC2)oc2c1-c1[nH]ncc1CC2
-Colloidal Aggregators,585,3432298,CC1(C(=O)NCc2cccnc2)CCC(=O)N1CCc1ccccc1
-Colloidal Aggregators,585,3432300,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1
-Colloidal Aggregators,585,3432341,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1
-Colloidal Aggregators,585,3443596,COc1ccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,3443663,CC1=C(C(=O)OC(C)C)C(c2ccccn2)n2ncnc2N1
-Colloidal Aggregators,585,3443705,CC1=C(C(=O)OC(C)C)C(c2c[nH]c3ccccc23)n2ncnc2N1
-Colloidal Aggregators,585,3448460,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
-Colloidal Aggregators,585,3457755,COc1ccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)cc1OC
-Colloidal Aggregators,585,3457780,COc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1
-Colloidal Aggregators,585,3457781,COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1
-Colloidal Aggregators,585,3473222,Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1
-Colloidal Aggregators,585,3494878,CC(C)CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
-Colloidal Aggregators,585,3543999,COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1
-Colloidal Aggregators,585,3578092,Cc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21
-Colloidal Aggregators,585,3586644,CCCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1
-Colloidal Aggregators,585,3586649,Nc1nc(C(=O)N2CCOCC2)nn1C(=O)c1ccc(Cl)cc1
-Colloidal Aggregators,585,3590657,O=C(O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21
-Colloidal Aggregators,585,3601182,Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1
-Colloidal Aggregators,585,3615460,CC(=O)c1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1
-Colloidal Aggregators,585,3620068,Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl
-Colloidal Aggregators,585,3620360,CCOC(=O)N1CCC(Nc2c(OCC)c(=O)c2=O)CC1
-Colloidal Aggregators,585,3640632,COc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,3641574,Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12
-Colloidal Aggregators,585,3691062,O=C1c2ccccc2C(O)N1Cc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,3691795,Cc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1
-Colloidal Aggregators,585,3729704,COc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1
-Colloidal Aggregators,585,3735508,CCCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2
-Colloidal Aggregators,585,3743352,COc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1
-Colloidal Aggregators,585,3746404,Cc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,3762023,Cc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1
-Colloidal Aggregators,585,3768502,Cc1ccccc1C1CC(c2ccccc2)Nc2ncnn21
-Colloidal Aggregators,585,3817419,Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,3822454,Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2
-Colloidal Aggregators,585,3823657,COc1cccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)c1
-Colloidal Aggregators,585,3825021,Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2
-Colloidal Aggregators,585,3825054,CN1CCc2c(sc3c2C(=O)NC(c2cccc(OC(=O)c4cccs4)c2)N3)C1
-Colloidal Aggregators,585,3843039,COc1cccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)c1
-Colloidal Aggregators,585,3877893,CCOC(=O)CN1c2ccccc2NC(=O)CC1C
-Colloidal Aggregators,585,3888077,O=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1
-Colloidal Aggregators,585,3894573,CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1
-Colloidal Aggregators,585,3896375,O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
-Colloidal Aggregators,585,3937248,CCOC(=O)C1C(=O)Oc2ccc3ccccc3c2C1C1CCOC1=O
-Colloidal Aggregators,585,3937576,NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1
-Colloidal Aggregators,585,4029817,COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1
-Colloidal Aggregators,585,4054025,Cc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1
-Colloidal Aggregators,585,4057150,O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2
-Colloidal Aggregators,585,4068478,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)c1
-Colloidal Aggregators,585,4071808,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1
-Colloidal Aggregators,585,4086083,CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)n2ncnc2N1
-Colloidal Aggregators,585,4087450,COc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1
-Colloidal Aggregators,585,4094173,Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1
-Colloidal Aggregators,585,4096276,COc1ccc2c(c1)OC13CCN(C)CC1C2C(C(=O)c1ccc(F)cc1)C(=O)N3
-Colloidal Aggregators,585,4101591,CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
-Colloidal Aggregators,585,4103173,CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1
-Colloidal Aggregators,585,4108861,CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1
-Colloidal Aggregators,585,4113914,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NC1CCCC1
-Colloidal Aggregators,585,4116922,O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1
-Colloidal Aggregators,585,4121127,COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
-Colloidal Aggregators,585,4135295,O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1
-Colloidal Aggregators,585,4139196,CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1
-Colloidal Aggregators,585,4152810,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1
-Colloidal Aggregators,585,4157158,O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCN(C(=O)c2ccco2)CC1
-Colloidal Aggregators,585,4167655,Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1
-Colloidal Aggregators,585,4192159,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1
-Colloidal Aggregators,585,4211783,COCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
-Colloidal Aggregators,585,4221446,COc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1
-Colloidal Aggregators,585,4246776,CCCCn1c2c(c3ccccc31)CCc1nonc1-2
-Colloidal Aggregators,585,4248069,Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O
-Colloidal Aggregators,585,4249720,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCCC1
-Colloidal Aggregators,585,4252310,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1
-Colloidal Aggregators,585,4252311,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCCC2)c1
-Colloidal Aggregators,585,4256680,Cc1ccc(-c2nc(NC(=O)CSc3nnc4scc(-c5ccccc5)n34)ns2)cc1
-Colloidal Aggregators,585,4269674,COc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1
-Colloidal Aggregators,585,4292582,COc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1OC
-Colloidal Aggregators,585,4292590,COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1
-Colloidal Aggregators,585,4302841,N#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=O
-Colloidal Aggregators,585,4305803,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc1
-Colloidal Aggregators,585,4306436,CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1
-Colloidal Aggregators,585,4330136,CN1C(=O)CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O
-Colloidal Aggregators,585,4337118,O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1
-Colloidal Aggregators,585,4342623,COc1nc(Nc2ccc3c(c2)OCO3)nc(OC)n1
-Colloidal Aggregators,585,4361852,O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1
-Colloidal Aggregators,585,4362251,CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC3=NC4CS(=O)(=O)CC4S3)c2)CC1
-Colloidal Aggregators,585,4370657,COc1cccc(C2CC(c3ccc(C)cc3)Nc3nc(N)nn32)c1
-Colloidal Aggregators,585,4383151,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
-Colloidal Aggregators,585,4384043,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1
-Colloidal Aggregators,585,4418767,Fc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1
-Colloidal Aggregators,585,4429890,COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1
-Colloidal Aggregators,585,4432959,NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O
-Colloidal Aggregators,585,4436362,COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=N
-Colloidal Aggregators,585,4452348,O=C(c1ccco1)N1CCN(c2ncccn2)CC1
-Colloidal Aggregators,585,4534086,N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
-Colloidal Aggregators,585,4557019,Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1
-Colloidal Aggregators,585,4569957,COC(=O)c1cc(-c2ccc(Br)cc2)on1
-Colloidal Aggregators,585,4573848,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1
-Colloidal Aggregators,585,4613965,COc1cccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1
-Colloidal Aggregators,585,4613966,COc1ccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,4618046,Cc1ncc(CO)c2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc12
-Colloidal Aggregators,585,4620051,CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
-Colloidal Aggregators,585,4620052,O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
-Colloidal Aggregators,585,4620191,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1
-Colloidal Aggregators,585,4621413,CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
-Colloidal Aggregators,585,4637181,CCCCNc1cc(=O)n(C)c(=O)[nH]1
-Colloidal Aggregators,585,4648656,Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1
-Colloidal Aggregators,585,4859236,COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1
-Colloidal Aggregators,585,4885785,N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1c(F)cccc1Cl
-Colloidal Aggregators,585,4890630,COc1cccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1
-Colloidal Aggregators,585,4893183,COc1cc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1OCc1ccccc1
-Colloidal Aggregators,585,4894947,COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N
-Colloidal Aggregators,585,5001940,CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1
-Colloidal Aggregators,585,5019436,CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2
-Colloidal Aggregators,585,5040063,CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1
-Colloidal Aggregators,585,5043098,O=C(Nc1cnc2ccccc2c1)c1cccnc1
-Colloidal Aggregators,585,5056985,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)cc1
-Colloidal Aggregators,585,5061566,CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C
-Colloidal Aggregators,585,5076890,CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
-Colloidal Aggregators,585,5077124,COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc(OC)c1OC
-Colloidal Aggregators,585,5081526,CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
-Colloidal Aggregators,585,5081527,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1
-Colloidal Aggregators,585,5101270,O=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2
-Colloidal Aggregators,585,5102678,CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
-Colloidal Aggregators,585,5136036,O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1
-Colloidal Aggregators,585,5141879,COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)OCC(C)C)C4C2=O)cc1
-Colloidal Aggregators,585,5142655,CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21
-Colloidal Aggregators,585,5144290,COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
-Colloidal Aggregators,585,5153448,CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1
-Colloidal Aggregators,585,5158992,COc1ccc(C2CC(c3cccc(C)c3)n3ncnc3N2)cc1
-Colloidal Aggregators,585,5169988,CCC(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2
-Colloidal Aggregators,585,5201818,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)cc1
-Colloidal Aggregators,585,5206092,O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1COc2ccccc2O1
-Colloidal Aggregators,585,5222682,CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
-Colloidal Aggregators,585,5236854,CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC
-Colloidal Aggregators,585,5243272,CCOc1ccc(S(=O)(=O)n2ccnc2)c2ccccc12
-Colloidal Aggregators,585,5280343,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
-Colloidal Aggregators,585,5280445,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
-Colloidal Aggregators,585,5281605,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
-Colloidal Aggregators,585,5281614,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12
-Colloidal Aggregators,585,5281672,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
-Colloidal Aggregators,585,5281855,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
-Colloidal Aggregators,585,5282106,CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
-Colloidal Aggregators,585,5307095,Cc1oc(-c2ccc(Cl)cc2)nc1C[S+]([O-])CC(=O)NCCN1CCCC1
-Colloidal Aggregators,585,5307100,CCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C
-Colloidal Aggregators,585,5307105,CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
-Colloidal Aggregators,585,5307110,NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1
-Colloidal Aggregators,585,5307117,CC(NC(=O)c1noc2c1CCCCC2)c1ccccc1
-Colloidal Aggregators,585,5307125,O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCN(Cc2ccccc2)CC1
-Colloidal Aggregators,585,5307130,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2nccnc2c1
-Colloidal Aggregators,585,5307131,CCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1
-Colloidal Aggregators,585,5307139,CC1CC(C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1
-Colloidal Aggregators,585,5307141,Cc1cc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)no1
-Colloidal Aggregators,585,5307145,COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC
-Colloidal Aggregators,585,5307152,Cc1ccc2c(c1)NC(=O)C(CC(=O)NC1CCCCC1C)O2
-Colloidal Aggregators,585,5307164,CCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
-Colloidal Aggregators,585,5307166,Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1
-Colloidal Aggregators,585,5307172,CN1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
-Colloidal Aggregators,585,5307176,CN1CSC2=C(C#N)C(c3cccc(OCc4ccccc4)c3)CC(=O)N2C1
-Colloidal Aggregators,585,5307181,Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3ccco3)ccc2n(C)c1=O
-Colloidal Aggregators,585,5307182,Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1
-Colloidal Aggregators,585,5307184,O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1
-Colloidal Aggregators,585,5307196,Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1
-Colloidal Aggregators,585,5307197,COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1
-Colloidal Aggregators,585,5307203,COc1ccc(N2CCN(CCCNC(=O)CC3Oc4ccc(C)cc4NC3=O)CC2)cc1
-Colloidal Aggregators,585,5307204,CCN1CCN(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1
-Colloidal Aggregators,585,5307207,CCN(CCNC(=O)CC1Oc2ccccc2NC1=O)c1ccccc1
-Colloidal Aggregators,585,5307210,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1
-Colloidal Aggregators,585,5307221,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1
-Colloidal Aggregators,585,5307225,CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1
-Colloidal Aggregators,585,5307237,CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3OC)cc2)CC1
-Colloidal Aggregators,585,5307245,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21
-Colloidal Aggregators,585,5307255,CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1
-Colloidal Aggregators,585,5307258,COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5307262,O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCCC1
-Colloidal Aggregators,585,5307266,CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1
-Colloidal Aggregators,585,5307277,CC1CCCC(C)N1CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5307296,COc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1
-Colloidal Aggregators,585,5307301,CCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C
-Colloidal Aggregators,585,5307303,CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12
-Colloidal Aggregators,585,5307305,O=C(NC1CCCc2ccccc21)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307316,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
-Colloidal Aggregators,585,5307323,CCN(CC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
-Colloidal Aggregators,585,5307327,CCN(CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
-Colloidal Aggregators,585,5307334,CCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21
-Colloidal Aggregators,585,5307338,COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12
-Colloidal Aggregators,585,5307340,O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2
-Colloidal Aggregators,585,5307344,COc1cccc(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC
-Colloidal Aggregators,585,5307347,CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
-Colloidal Aggregators,585,5307348,CC1CCCC(C)N1c1nnc(N)s1
-Colloidal Aggregators,585,5307369,O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1ccccn1
-Colloidal Aggregators,585,5307380,CCCc1cc(C(=O)Nc2ccc(C)cc2)no1
-Colloidal Aggregators,585,5307390,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1
-Colloidal Aggregators,585,5307393,O=C1c2ccccc2C(O)N1c1cccnc1
-Colloidal Aggregators,585,5307398,O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
-Colloidal Aggregators,585,5307414,CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)C1
-Colloidal Aggregators,585,5307419,CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1
-Colloidal Aggregators,585,5307427,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCN(Cc2ccccc2F)C1
-Colloidal Aggregators,585,5307436,O=C(NCCN1CCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5307439,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1
-Colloidal Aggregators,585,5307441,COc1ccc(N2CCN(CCCNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)cc1
-Colloidal Aggregators,585,5307465,Cc1sc2nc3ccc(N4CCCC4)nn3c(=O)c2c1C
-Colloidal Aggregators,585,5307467,CCOc1ccccc1N1CSC2=C(C#N)C(c3c(OC)ccc4ccccc34)CC(=O)N2C1
-Colloidal Aggregators,585,5307488,CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
-Colloidal Aggregators,585,5307490,O=C(c1cnn2ccccc12)N1CCCc2ccccc21
-Colloidal Aggregators,585,5307493,CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
-Colloidal Aggregators,585,5307498,O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1
-Colloidal Aggregators,585,5307499,Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O
-Colloidal Aggregators,585,5307504,N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21
-Colloidal Aggregators,585,5307509,CCOC(=O)C1CCCN(c2c(N3CCc4ccccc4C3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5307512,CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
-Colloidal Aggregators,585,5307513,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1
-Colloidal Aggregators,585,5307515,CCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O
-Colloidal Aggregators,585,5307516,O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
-Colloidal Aggregators,585,5307526,O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1
-Colloidal Aggregators,585,5307528,Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1
-Colloidal Aggregators,585,5307532,CCOC(=O)N1CCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307533,CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1
-Colloidal Aggregators,585,5307543,Cc1ccccc1NC(=O)c1ocnc1C
-Colloidal Aggregators,585,5307545,CCOc1ccc(Cn2nnc(C(=O)Nc3cc(OC)cc(OC)c3)c2N)cc1
-Colloidal Aggregators,585,5307551,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCCC2)o1
-Colloidal Aggregators,585,5307561,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1
-Colloidal Aggregators,585,5307562,COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1
-Colloidal Aggregators,585,5307564,Cc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
-Colloidal Aggregators,585,5307566,CCOC(=O)c1sc(NC(=O)c2noc3c2CCCC3)c(C(=O)OCC)c1C
-Colloidal Aggregators,585,5307578,CCCc1cc(C(=O)Nc2cccnc2)no1
-Colloidal Aggregators,585,5307580,CCOC(=O)C1CCCN(c2c(Nc3cccc(C)c3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5307587,COc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1
-Colloidal Aggregators,585,5307590,CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O
-Colloidal Aggregators,585,5307597,CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21
-Colloidal Aggregators,585,5307599,CC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1Cl
-Colloidal Aggregators,585,5307628,Cn1c(C(=O)NC2CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5307630,CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
-Colloidal Aggregators,585,5307632,CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5307640,COc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1
-Colloidal Aggregators,585,5307643,CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1
-Colloidal Aggregators,585,5307647,Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1
-Colloidal Aggregators,585,5307648,CCC(C)N(CCNC(=O)CC1Oc2ccccc2NC1=O)C1CCCCC1
-Colloidal Aggregators,585,5307649,COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3ccc(F)cc3F)c2cc1OC
-Colloidal Aggregators,585,5307650,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCc3ccccc32)C1
-Colloidal Aggregators,585,5307651,Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(O)cc2)on1
-Colloidal Aggregators,585,5307655,CCN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
-Colloidal Aggregators,585,5307661,COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1
-Colloidal Aggregators,585,5307663,CCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5307670,CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1
-Colloidal Aggregators,585,5307678,Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1
-Colloidal Aggregators,585,5307680,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1COc2ccccc2O1
-Colloidal Aggregators,585,5307685,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC3)sc21
-Colloidal Aggregators,585,5307686,Cc1csc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1
-Colloidal Aggregators,585,5307690,COCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)cc2)oc1C
-Colloidal Aggregators,585,5307691,Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2n(C)c1=O
-Colloidal Aggregators,585,5307693,CCC(C)[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O
-Colloidal Aggregators,585,5307695,COc1cccc(C2=NOC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1
-Colloidal Aggregators,585,5307696,O=C(NC1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
-Colloidal Aggregators,585,5307698,CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1
-Colloidal Aggregators,585,5307701,COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
-Colloidal Aggregators,585,5307704,CCOC(=O)C1CCCN(c2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5307707,CCOc1ccccc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307709,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)cc1
-Colloidal Aggregators,585,5307710,CCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1
-Colloidal Aggregators,585,5307714,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
-Colloidal Aggregators,585,5307719,O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2
-Colloidal Aggregators,585,5307726,Cc1nc(C)c(C(=O)Nc2cccc(C)c2C)o1
-Colloidal Aggregators,585,5307730,COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
-Colloidal Aggregators,585,5307731,CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
-Colloidal Aggregators,585,5307740,Cc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O
-Colloidal Aggregators,585,5307747,CCOC(=O)N1CCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307750,CCOc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1
-Colloidal Aggregators,585,5307760,CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
-Colloidal Aggregators,585,5307764,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O
-Colloidal Aggregators,585,5307769,O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1
-Colloidal Aggregators,585,5307772,Cc1ccnc(NC2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1
-Colloidal Aggregators,585,5307777,O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCC1
-Colloidal Aggregators,585,5307785,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1
-Colloidal Aggregators,585,5307817,COc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1
-Colloidal Aggregators,585,5307822,CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
-Colloidal Aggregators,585,5307825,Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ncccc21
-Colloidal Aggregators,585,5307826,Cc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1
-Colloidal Aggregators,585,5307839,COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N
-Colloidal Aggregators,585,5307853,CCOC(=O)N1CCN(c2c(NCCc3ccc(OC)c(OC)c3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307861,CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1
-Colloidal Aggregators,585,5307863,CCCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(C)cc2)oc1C
-Colloidal Aggregators,585,5307869,CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C
-Colloidal Aggregators,585,5307873,CC1CCC(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
-Colloidal Aggregators,585,5307874,CCOC(=O)N1CCN(c2c(NCC3CCN(Cc4cccc(C)c4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5307893,N#Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c(=O)c2sccc21
-Colloidal Aggregators,585,5307896,CCOC(=O)C1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1
-Colloidal Aggregators,585,5307905,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21
-Colloidal Aggregators,585,5307915,Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCC4COc5ccccc5O4)CC3)ccc21
-Colloidal Aggregators,585,5307929,CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccccc2F)CC1
-Colloidal Aggregators,585,5307936,O=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
-Colloidal Aggregators,585,5307938,CC(C)CNC(=O)c1noc2c1CCCC2
-Colloidal Aggregators,585,5307941,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCC3CCCO3)ccc2N1
-Colloidal Aggregators,585,5307942,CC(=O)OC1c2ccccc2C(=O)N1c1ccccc1C
-Colloidal Aggregators,585,5307944,O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1Cl
-Colloidal Aggregators,585,5307949,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1
-Colloidal Aggregators,585,5307953,Cc1cc(C)cc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)c1
-Colloidal Aggregators,585,5307956,Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccc(Br)cn2)nc1
-Colloidal Aggregators,585,5307962,CC1CCCCN1CCn1cnc2c([nH]c3ccccc32)c1=O
-Colloidal Aggregators,585,5307968,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1
-Colloidal Aggregators,585,5307969,CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1
-Colloidal Aggregators,585,5307971,COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccc3)c(C)o2)c1
-Colloidal Aggregators,585,5307978,CCOC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1
-Colloidal Aggregators,585,5307980,COc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
-Colloidal Aggregators,585,5307997,O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1
-Colloidal Aggregators,585,5308003,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccco3)sc21
-Colloidal Aggregators,585,5308005,COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1
-Colloidal Aggregators,585,5308021,Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccc(F)cc1
-Colloidal Aggregators,585,5308022,Cc1nnc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nn12
-Colloidal Aggregators,585,5308034,CCOC(=O)N1CCN(C(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)CC1
-Colloidal Aggregators,585,5308035,COc1ccc(Br)cc1C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N
-Colloidal Aggregators,585,5308043,CCOC(=O)N1CCN(c2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308050,COc1ccc(CCNC(=O)C2(C)CCC(=O)N2CCC(C)C)cc1OC
-Colloidal Aggregators,585,5308054,O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(N2CCCCC2)CC1
-Colloidal Aggregators,585,5308056,Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCOCC3)c(C)o2)cc1
-Colloidal Aggregators,585,5308060,O=C(C1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccccn2)CC1
-Colloidal Aggregators,585,5308062,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21
-Colloidal Aggregators,585,5308064,O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1
-Colloidal Aggregators,585,5308065,Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308067,Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCCCC3)c(C)o2)c1
-Colloidal Aggregators,585,5308071,O=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1
-Colloidal Aggregators,585,5308072,CC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
-Colloidal Aggregators,585,5308073,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,5308081,CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308082,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1)O2
-Colloidal Aggregators,585,5308093,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21
-Colloidal Aggregators,585,5308094,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1cccnc1)O2
-Colloidal Aggregators,585,5308097,Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1
-Colloidal Aggregators,585,5308101,O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1OC2
-Colloidal Aggregators,585,5308106,CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O
-Colloidal Aggregators,585,5308115,CN(c1nnc(N)s1)C1CCCCC1
-Colloidal Aggregators,585,5308118,Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308120,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1
-Colloidal Aggregators,585,5308131,Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1
-Colloidal Aggregators,585,5308132,Cc1cc(C)cc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1
-Colloidal Aggregators,585,5308145,CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
-Colloidal Aggregators,585,5308150,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCc2ccccc21
-Colloidal Aggregators,585,5308152,Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccco4)sc3c2c1
-Colloidal Aggregators,585,5308157,Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1
-Colloidal Aggregators,585,5308158,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1
-Colloidal Aggregators,585,5308168,O=C(NCc1cccnc1)c1cnn2ccccc12
-Colloidal Aggregators,585,5308174,Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1
-Colloidal Aggregators,585,5308182,Cc1cccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1
-Colloidal Aggregators,585,5308185,CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C
-Colloidal Aggregators,585,5308186,Cc1ccccc1N1C(=O)c2ccccc2C1Nc1cccnc1
-Colloidal Aggregators,585,5308197,COc1cc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc(OC)c1
-Colloidal Aggregators,585,5308205,Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308210,Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1
-Colloidal Aggregators,585,5308220,Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)c1
-Colloidal Aggregators,585,5308224,CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1
-Colloidal Aggregators,585,5308234,CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O
-Colloidal Aggregators,585,5308238,COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5308249,Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308262,CCOC(=O)N1CCC(NC(=O)CN2C(=O)CCSc3ccccc32)CC1
-Colloidal Aggregators,585,5308267,O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1
-Colloidal Aggregators,585,5308277,COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1
-Colloidal Aggregators,585,5308279,COc1ccc(CCNC(=O)C2(C)CCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC
-Colloidal Aggregators,585,5308281,CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1
-Colloidal Aggregators,585,5308286,CN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
-Colloidal Aggregators,585,5308289,COc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1
-Colloidal Aggregators,585,5308291,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1
-Colloidal Aggregators,585,5308294,Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1
-Colloidal Aggregators,585,5308313,COc1ccc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1
-Colloidal Aggregators,585,5308323,Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1Cl
-Colloidal Aggregators,585,5308326,CCC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
-Colloidal Aggregators,585,5308330,CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1
-Colloidal Aggregators,585,5308334,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCCC3)o2)cc1
-Colloidal Aggregators,585,5308335,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Br)cc1
-Colloidal Aggregators,585,5308351,Cc1ccc(N2C(=O)c3ccccc3C2O)nc1
-Colloidal Aggregators,585,5308355,CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1
-Colloidal Aggregators,585,5308357,CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1
-Colloidal Aggregators,585,5308361,O=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5308373,O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,5308376,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCCC3)sc21
-Colloidal Aggregators,585,5308393,COc1cccc(Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)c1
-Colloidal Aggregators,585,5308397,CCCCN(CCCC)CCn1cnc2c([nH]c3ccc(OC)cc32)c1=O
-Colloidal Aggregators,585,5308402,CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1
-Colloidal Aggregators,585,5308413,Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCCC3)c(C)o2)cc1
-Colloidal Aggregators,585,5308423,Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C
-Colloidal Aggregators,585,5308425,Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1
-Colloidal Aggregators,585,5308432,Cc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12
-Colloidal Aggregators,585,5308439,COCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5308442,c1ccc(CCNc2ccc3nncn3n2)cc1
-Colloidal Aggregators,585,5308455,O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1
-Colloidal Aggregators,585,5308460,COc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1
-Colloidal Aggregators,585,5308464,CCOC(=O)N1CCN(c2c(NCC3CCCO3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308478,O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1
-Colloidal Aggregators,585,5308479,Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1
-Colloidal Aggregators,585,5308482,CC1CCC(NC(=O)C2(C)CCC(=O)N2Cc2cccnc2)CC1
-Colloidal Aggregators,585,5308488,CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
-Colloidal Aggregators,585,5308495,Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1
-Colloidal Aggregators,585,5308497,Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc3c2c1
-Colloidal Aggregators,585,5308501,CC(C)CN(CCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C
-Colloidal Aggregators,585,5308508,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1
-Colloidal Aggregators,585,5308510,O=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308511,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21
-Colloidal Aggregators,585,5308512,CCCc1cc(C(=O)Nc2cc(Br)ccc2O)no1
-Colloidal Aggregators,585,5308513,CCOC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
-Colloidal Aggregators,585,5308523,Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCCN2CCOCC2)c(C)o1
-Colloidal Aggregators,585,5308528,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1
-Colloidal Aggregators,585,5308529,CCC(C)NC(=O)CC1Oc2ccc(C)cc2NC1=O
-Colloidal Aggregators,585,5308536,COc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O
-Colloidal Aggregators,585,5308549,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1
-Colloidal Aggregators,585,5308550,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1
-Colloidal Aggregators,585,5308555,CCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O
-Colloidal Aggregators,585,5308563,COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1
-Colloidal Aggregators,585,5308566,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(F)c1
-Colloidal Aggregators,585,5308573,CCOC(=O)N1CCN(c2c(N3CCOCC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308576,CCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5308601,O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,5308604,CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NCc2ccc3c(c2)OCO3)CC1
-Colloidal Aggregators,585,5308608,COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1
-Colloidal Aggregators,585,5308616,CCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1
-Colloidal Aggregators,585,5308628,C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5308630,O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCOCC1
-Colloidal Aggregators,585,5308632,O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
-Colloidal Aggregators,585,5308640,O=C1Nc2ccccc2OC1CC(=O)N1CCCC1
-Colloidal Aggregators,585,5308642,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1
-Colloidal Aggregators,585,5308643,N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl
-Colloidal Aggregators,585,5308648,CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O
-Colloidal Aggregators,585,5308652,COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
-Colloidal Aggregators,585,5308654,Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308664,N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)CC1c1cccc(F)c1
-Colloidal Aggregators,585,5308665,Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1cccs1
-Colloidal Aggregators,585,5308666,COc1ccc2c(c1)CCc1c(C(=O)NCc3ccc(F)cc3)noc1-2
-Colloidal Aggregators,585,5308669,Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)cc1
-Colloidal Aggregators,585,5308670,O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cccnc2)C1
-Colloidal Aggregators,585,5308671,Cc1nc2c3ccccc3n(CC#N)c(=O)n2n1
-Colloidal Aggregators,585,5308674,Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308678,Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
-Colloidal Aggregators,585,5308688,Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3cccs3)C(C)C)cc2s1
-Colloidal Aggregators,585,5308689,COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)CC2)cc1
-Colloidal Aggregators,585,5308690,CCOC(=O)C1CCCN(c2c(NCC3CCCN3CC)c(=O)c2=O)C1
-Colloidal Aggregators,585,5308691,CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)CCc1ccccc1
-Colloidal Aggregators,585,5308699,CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
-Colloidal Aggregators,585,5308700,O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCC1
-Colloidal Aggregators,585,5308703,CCOC(=O)C1CCCN(c2c(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5308707,COc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1
-Colloidal Aggregators,585,5308712,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCc2ccccc2C1
-Colloidal Aggregators,585,5308724,CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1
-Colloidal Aggregators,585,5308729,Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1
-Colloidal Aggregators,585,5308734,Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1
-Colloidal Aggregators,585,5308743,Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2F)nc1
-Colloidal Aggregators,585,5308745,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1
-Colloidal Aggregators,585,5308747,CCOC(=O)N1CCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308749,CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1
-Colloidal Aggregators,585,5308753,CCOC(=O)N1CCN(c2c(Nc3cc(C)[nH]n3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308754,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1
-Colloidal Aggregators,585,5308755,O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCc2ccccc2C1
-Colloidal Aggregators,585,5308756,Cc1ccc(N2C(=O)c3ccccc3C2Nc2cccnc2)nc1
-Colloidal Aggregators,585,5308759,CCOC(=O)CCc1c(C)n(CC)c2ncnn2c1=O
-Colloidal Aggregators,585,5308761,COc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCCC3)c(C)o2)cc1
-Colloidal Aggregators,585,5308769,CCn1c(=O)c2cc(C(=O)NCc3cccs3)sc2c2ccccc21
-Colloidal Aggregators,585,5308772,CCCN1C(=O)c2cc(C(=O)NCc3cccs3)ccc2C1O
-Colloidal Aggregators,585,5308775,CC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1
-Colloidal Aggregators,585,5308790,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1
-Colloidal Aggregators,585,5308792,CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1
-Colloidal Aggregators,585,5308799,O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
-Colloidal Aggregators,585,5308801,O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5308803,CCN(CC)c1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1
-Colloidal Aggregators,585,5308805,O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1
-Colloidal Aggregators,585,5308817,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCCC1
-Colloidal Aggregators,585,5308822,Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1
-Colloidal Aggregators,585,5308826,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1
-Colloidal Aggregators,585,5308830,CCN(CCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
-Colloidal Aggregators,585,5308831,O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5308835,Cn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5308839,COc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1
-Colloidal Aggregators,585,5308853,CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21
-Colloidal Aggregators,585,5308854,Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1ccc2c(c1)OCO2
-Colloidal Aggregators,585,5308855,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1
-Colloidal Aggregators,585,5308860,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
-Colloidal Aggregators,585,5308870,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1O
-Colloidal Aggregators,585,5308889,CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
-Colloidal Aggregators,585,5308890,CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1
-Colloidal Aggregators,585,5308893,CCOC(=O)C1CCCN(c2c(NCc3ccco3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5308898,CCc1cc(=O)oc2cc(C)cc(O)c12
-Colloidal Aggregators,585,5308899,CC(CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
-Colloidal Aggregators,585,5308903,Cn1c(=O)oc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)ccc21
-Colloidal Aggregators,585,5308905,O=C(CCc1nc2ccccc2[nH]1)NC1CCCCC1
-Colloidal Aggregators,585,5308911,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1
-Colloidal Aggregators,585,5308921,CCOC(=O)N1CCN(c2c(NCc3ccccn3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308922,Cc1c(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C
-Colloidal Aggregators,585,5308923,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
-Colloidal Aggregators,585,5308924,CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
-Colloidal Aggregators,585,5308938,CCc1ccc(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1
-Colloidal Aggregators,585,5308941,CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1
-Colloidal Aggregators,585,5308948,CCn1ncc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1C
-Colloidal Aggregators,585,5308960,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1
-Colloidal Aggregators,585,5308965,O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1
-Colloidal Aggregators,585,5308968,CCOC(=O)N1CCN(c2c(NCCN3CCCCC3CC)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5308974,CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)[nH]n2c1=O
-Colloidal Aggregators,585,5308976,CCC1CCCCN1CCCNC(=O)CC1Oc2ccccc2NC1=O
-Colloidal Aggregators,585,5308983,O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
-Colloidal Aggregators,585,5308987,O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1
-Colloidal Aggregators,585,5308993,COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21
-Colloidal Aggregators,585,5308996,CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1
-Colloidal Aggregators,585,5309002,CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O
-Colloidal Aggregators,585,5309006,CCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
-Colloidal Aggregators,585,5309017,Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(C)CC3)c(C)o2)c1
-Colloidal Aggregators,585,5309026,CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1
-Colloidal Aggregators,585,5309029,CC1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21
-Colloidal Aggregators,585,5309032,CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C
-Colloidal Aggregators,585,5309052,CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
-Colloidal Aggregators,585,5309067,Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1
-Colloidal Aggregators,585,5309069,C=CCn1c(=O)n(CCOC)c(=O)c2sc3ccccc3c21
-Colloidal Aggregators,585,5309070,COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1
-Colloidal Aggregators,585,5309072,O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc2C1
-Colloidal Aggregators,585,5309075,CCOC(=O)N1CCC(NC(=O)c2cnn3ccccc23)CC1
-Colloidal Aggregators,585,5309076,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)CC2)C1
-Colloidal Aggregators,585,5309081,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1
-Colloidal Aggregators,585,5309084,COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
-Colloidal Aggregators,585,5309086,CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C
-Colloidal Aggregators,585,5309087,CCN1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(OC)cc3)oc2C)CC1
-Colloidal Aggregators,585,5309092,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCn5c4nc4ccccc45)C3)ccc21
-Colloidal Aggregators,585,5309097,Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc21
-Colloidal Aggregators,585,5309098,O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
-Colloidal Aggregators,585,5309099,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccn4)CC3)sc21
-Colloidal Aggregators,585,5309101,CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
-Colloidal Aggregators,585,5309102,CCOC(=O)C1CCCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5309108,CCOC(=O)C1CCCN(c2c(NCCCN3CCCC(C)C3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5309114,Cc1ccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1
-Colloidal Aggregators,585,5309118,COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1
-Colloidal Aggregators,585,5309123,CC(C)Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1
-Colloidal Aggregators,585,5309126,COc1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1
-Colloidal Aggregators,585,5309131,COC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1
-Colloidal Aggregators,585,5309143,O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5309148,CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(N(C)CC4CCCO4)CC3)CC2)CC1
-Colloidal Aggregators,585,5309149,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1
-Colloidal Aggregators,585,5309150,O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1
-Colloidal Aggregators,585,5309152,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1
-Colloidal Aggregators,585,5309166,CC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)C1
-Colloidal Aggregators,585,5309170,Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1
-Colloidal Aggregators,585,5309177,CCN(CC)CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
-Colloidal Aggregators,585,5309181,CC1CCCCN1CCNC(=O)CC1Oc2ccccc2NC1=O
-Colloidal Aggregators,585,5309186,CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1
-Colloidal Aggregators,585,5309199,CC1CC(C)CN(CCCNC(=O)CC2Oc3ccccc3NC2=O)C1
-Colloidal Aggregators,585,5309206,CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
-Colloidal Aggregators,585,5309209,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1
-Colloidal Aggregators,585,5309212,COc1cc(OC)c(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1OC
-Colloidal Aggregators,585,5309216,COc1cccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC
-Colloidal Aggregators,585,5309222,Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5309230,O=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
-Colloidal Aggregators,585,5309245,COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
-Colloidal Aggregators,585,5309253,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
-Colloidal Aggregators,585,5309258,Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1
-Colloidal Aggregators,585,5309266,Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3ccco3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309273,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCCC3)ccc2N1
-Colloidal Aggregators,585,5309275,Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1
-Colloidal Aggregators,585,5309278,Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1
-Colloidal Aggregators,585,5309281,CC(C)CN(CC(C)C)c1nnc(N)s1
-Colloidal Aggregators,585,5309284,O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1
-Colloidal Aggregators,585,5309286,COC(=O)c1ccc2c(c1)N(C)CCS2
-Colloidal Aggregators,585,5309288,COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl
-Colloidal Aggregators,585,5309291,CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
-Colloidal Aggregators,585,5309292,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1
-Colloidal Aggregators,585,5309296,Cc1nc2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309299,CNC(=O)c1ccc2snnc2c1
-Colloidal Aggregators,585,5309305,O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1
-Colloidal Aggregators,585,5309311,CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)no1
-Colloidal Aggregators,585,5309323,CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCc2ccccc21
-Colloidal Aggregators,585,5309325,COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
-Colloidal Aggregators,585,5309326,CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O
-Colloidal Aggregators,585,5309328,O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1cccnc1
-Colloidal Aggregators,585,5309331,CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21
-Colloidal Aggregators,585,5309335,CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C
-Colloidal Aggregators,585,5309343,CC1CCCCN1CCNC(=O)c1cnn2ccccc12
-Colloidal Aggregators,585,5309344,CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
-Colloidal Aggregators,585,5309353,COc1ccc(OC)c(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1
-Colloidal Aggregators,585,5309374,COc1cc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc(OC)c1
-Colloidal Aggregators,585,5309376,CCOC(=O)N1CCC(Nc2c(NCCCN(C)Cc3ccccc3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309385,CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1
-Colloidal Aggregators,585,5309386,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
-Colloidal Aggregators,585,5309387,CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5309389,CCOC(=O)N1CCN(c2c(NCc3ccccc3OC)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309397,CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
-Colloidal Aggregators,585,5309403,COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NCc2ccccc2Cl)o1
-Colloidal Aggregators,585,5309407,CCOC(=O)N1CCN(c2c(N3CCc4ccccc43)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309414,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21
-Colloidal Aggregators,585,5309424,Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1
-Colloidal Aggregators,585,5309428,CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O
-Colloidal Aggregators,585,5309430,Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n[nH]1
-Colloidal Aggregators,585,5309431,Cc1c(NC(=O)c2noc3c2CCc2ccccc2-3)c(=O)n(-c2ccccc2)n1C
-Colloidal Aggregators,585,5309439,CCOC(=O)N1CCC(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1
-Colloidal Aggregators,585,5309448,COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1
-Colloidal Aggregators,585,5309458,CCCc1nnc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1
-Colloidal Aggregators,585,5309467,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCCN4CCOCC4)C3)ccc21
-Colloidal Aggregators,585,5309470,CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
-Colloidal Aggregators,585,5309472,COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S+]2[O-]
-Colloidal Aggregators,585,5309474,CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)C1
-Colloidal Aggregators,585,5309481,CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
-Colloidal Aggregators,585,5309487,COc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1OC
-Colloidal Aggregators,585,5309496,CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
-Colloidal Aggregators,585,5309500,CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1
-Colloidal Aggregators,585,5309505,CCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O
-Colloidal Aggregators,585,5309511,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1
-Colloidal Aggregators,585,5309515,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1
-Colloidal Aggregators,585,5309524,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1OC
-Colloidal Aggregators,585,5309527,CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1
-Colloidal Aggregators,585,5309534,O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1c1cccnc1
-Colloidal Aggregators,585,5309535,O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309539,CCOC(=O)N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
-Colloidal Aggregators,585,5309540,CCOC(=O)C1CCCN(c2c(NCC3CCCO3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5309541,COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1OC
-Colloidal Aggregators,585,5309546,O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br
-Colloidal Aggregators,585,5309549,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(C)C)O2
-Colloidal Aggregators,585,5309550,CCOc1ccc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)cc1
-Colloidal Aggregators,585,5309559,Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1CCc1ccccc1
-Colloidal Aggregators,585,5309561,N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl
-Colloidal Aggregators,585,5309566,CCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C
-Colloidal Aggregators,585,5309570,CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5309571,Cc1cccc(CN2CCC(CNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1
-Colloidal Aggregators,585,5309576,COc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC
-Colloidal Aggregators,585,5309584,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
-Colloidal Aggregators,585,5309595,COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1
-Colloidal Aggregators,585,5309596,CCOC(=O)N1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309598,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
-Colloidal Aggregators,585,5309621,CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1
-Colloidal Aggregators,585,5309624,CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
-Colloidal Aggregators,585,5309625,CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1
-Colloidal Aggregators,585,5309634,CCCNC(=O)c1noc2c1CCc1ccccc1-2
-Colloidal Aggregators,585,5309635,CC1CCN(Cc2ccc(NC(=O)CC3Oc4ccccc4NC3=O)cc2)CC1
-Colloidal Aggregators,585,5309644,CCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1
-Colloidal Aggregators,585,5309650,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCC(N2CCCCC2)CC1
-Colloidal Aggregators,585,5309651,Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCC3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309654,CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
-Colloidal Aggregators,585,5309656,CCn1c(=O)c2cc(C(=O)N3CCOCC3)sc2c2ccccc21
-Colloidal Aggregators,585,5309657,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CC(C)CC(C)C2)o1
-Colloidal Aggregators,585,5309661,CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5309667,CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1
-Colloidal Aggregators,585,5309668,CC1CCN(c2c(NCc3ccc(C(=O)NCC4COc5ccccc5O4)cc3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309672,COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NC2CCCC2)o1
-Colloidal Aggregators,585,5309673,O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
-Colloidal Aggregators,585,5309675,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21
-Colloidal Aggregators,585,5309677,CSc1ccccc1NC(=O)c1cc(CC(C)C)on1
-Colloidal Aggregators,585,5309678,N#Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1
-Colloidal Aggregators,585,5309679,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCOCC3)o2)cc1
-Colloidal Aggregators,585,5309683,Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1
-Colloidal Aggregators,585,5309694,CCOC(=O)N1CCC(NC(=O)c2ccc3snnc3c2)CC1
-Colloidal Aggregators,585,5309701,O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
-Colloidal Aggregators,585,5309728,O=C(CN1CC(c2ccccc2)CC1=O)NCc1ccc(F)cc1
-Colloidal Aggregators,585,5309729,CCOC(=O)C1CCCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5309738,CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
-Colloidal Aggregators,585,5309739,CCCCN(CC)CCNc1c(NC2CCN(C(=O)OCC)CC2)c(=O)c1=O
-Colloidal Aggregators,585,5309753,CCOC(=O)N1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309755,CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1
-Colloidal Aggregators,585,5309756,CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
-Colloidal Aggregators,585,5309779,Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCCCC3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309783,CCOC(=O)N1CCN(c2c(NCc3cccs3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309789,O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1
-Colloidal Aggregators,585,5309790,CCOC(=O)CNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O
-Colloidal Aggregators,585,5309793,Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCC(C)CC3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309799,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1
-Colloidal Aggregators,585,5309803,Cc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1
-Colloidal Aggregators,585,5309805,Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCn2c1nc1ccccc12)c1ccc(C(C)C)cc1
-Colloidal Aggregators,585,5309814,CCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
-Colloidal Aggregators,585,5309816,CCc1ccccc1N1CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2C1
-Colloidal Aggregators,585,5309820,CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O
-Colloidal Aggregators,585,5309822,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O
-Colloidal Aggregators,585,5309829,CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1
-Colloidal Aggregators,585,5309831,CCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21
-Colloidal Aggregators,585,5309834,CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
-Colloidal Aggregators,585,5309836,CC(C)c1ccc(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1
-Colloidal Aggregators,585,5309838,CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
-Colloidal Aggregators,585,5309840,Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCc2ccccc2)c(C)o1
-Colloidal Aggregators,585,5309842,CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
-Colloidal Aggregators,585,5309843,O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1nncs1
-Colloidal Aggregators,585,5309845,CCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
-Colloidal Aggregators,585,5309849,O=C1c2ccccc2C(Nc2ccccc2F)N1c1cccnc1
-Colloidal Aggregators,585,5309856,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccccc1
-Colloidal Aggregators,585,5309865,Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccc(F)cc1
-Colloidal Aggregators,585,5309866,O=C(c1cnn2ccccc12)N(Cc1ccco1)C1CCCC1
-Colloidal Aggregators,585,5309874,COc1cccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c1
-Colloidal Aggregators,585,5309879,NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
-Colloidal Aggregators,585,5309881,COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
-Colloidal Aggregators,585,5309884,COc1ccc(C)cc1NC(=O)c1nnn(Cc2cc(C)ccc2C)c1N
-Colloidal Aggregators,585,5309896,O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCN(c2ccccn2)CC1
-Colloidal Aggregators,585,5309898,CCC(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
-Colloidal Aggregators,585,5309908,CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
-Colloidal Aggregators,585,5309910,CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1
-Colloidal Aggregators,585,5309916,CCOC(=O)C1CCCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)C1
-Colloidal Aggregators,585,5309927,CCOc1ccccc1CNC(=O)c1cc2occc2n1C
-Colloidal Aggregators,585,5309928,Cn1c(C(=O)NCc2cccs2)cc2c(=O)n(C)c3ccccc3c21
-Colloidal Aggregators,585,5309929,O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1
-Colloidal Aggregators,585,5309933,O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1
-Colloidal Aggregators,585,5309938,CC1CCCCN1CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
-Colloidal Aggregators,585,5309949,CCOC(=O)N1CCC(Nc2c(NCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5309952,Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1
-Colloidal Aggregators,585,5309961,CCOC(=O)N1CCN(c2c(NCCCOC(C)C)c(=O)c2=O)CC1
-Colloidal Aggregators,585,5310739,O=C(/C=C/N1CCOCC1)c1ccc(-c2ccccc2)cc1
-Colloidal Aggregators,585,5328770,N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1
-Colloidal Aggregators,585,5389997,O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1Cc1ccccc1
-Colloidal Aggregators,585,5459425,S=C(Nc1ccccc1)Nc1ccccc1C#Cc1ccccc1
-Colloidal Aggregators,585,5461857,C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
-Colloidal Aggregators,585,5471349,CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
-Colloidal Aggregators,585,5771505,CC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
-Colloidal Aggregators,585,5771789,CCCC/C=C/C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
-Colloidal Aggregators,585,5771804,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1
-Colloidal Aggregators,585,5771831,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccc(Cl)cc1
-Colloidal Aggregators,585,5771844,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1
-Colloidal Aggregators,585,5771852,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
-Colloidal Aggregators,585,5771858,CCC/C=C(\CCC)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
-Colloidal Aggregators,585,6324535,COC(=O)CSCc1nc2ccccc2[nH]c1=O
-Colloidal Aggregators,585,6324558,COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
-Colloidal Aggregators,585,6324576,O=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2
-Colloidal Aggregators,585,6398898,O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)OCc1ccccc1
-Colloidal Aggregators,585,6603819,O=C1[C@@H]2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
-Colloidal Aggregators,585,6603986,CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O
-Colloidal Aggregators,585,6604287,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1
-Colloidal Aggregators,585,6604402,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O[C@H]1OC(=O)c2ccccc21
-Colloidal Aggregators,585,6604648,CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
-Colloidal Aggregators,585,6604822,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1
-Colloidal Aggregators,585,9552079,NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
-Colloidal Aggregators,585,9567513,CS/C(=N\S(=O)(=O)c1cccs1)NC(=O)CSc1nc2ccccc2s1
-Colloidal Aggregators,585,16411562,CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2C1c1cccc(OC)c1
-Colloidal Aggregators,585,54677800,CCCCCCNC(=O)c1c(O)c2ccccc2[nH]c1=O
-Colloidal Aggregators,585,54686776,O=c1cc(O)cc(/C=C\c2ccc(O)c(O)c2)o1
-Colloidal Aggregators,585,135403329,Cc1ccccc1CSc1nnc(C)c(=O)[nH]1
-Colloidal Aggregators,585,135406754,C=CCn1c(SCCCC)nc(O)cc1=O
-Colloidal Aggregators,585,135415528,C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1
-Colloidal Aggregators,585,135417048,O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21
-Colloidal Aggregators,585,135420379,O=C(Nc1ccccc1)C1=C(O)CC(c2ccco2)CC1=Nc1ccccc1
-Colloidal Aggregators,585,135420389,COc1ccccc1-n1c(SC)nc(O)cc1=O
-Colloidal Aggregators,585,135443227,Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCN(c5ccccc5)CC4)nc32)cc1
-Colloidal Aggregators,585,135458605,O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCCC1
-Colloidal Aggregators,585,135468341,O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1
-Colloidal Aggregators,585,135471715,CCN(CC)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1
-Colloidal Aggregators,585,135484653,O=C1C=CC2=C3c4cc(O)c(O)cc4C[C@@]3(O)COC2=C1O
-Colloidal Aggregators,585,135484660,O=C(N/N=C\c1ccccc1O)c1ccccc1O
-Colloidal Aggregators,585,135485426,COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[nH]2)cc1
-Colloidal Aggregators,585,135501397,CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
-Colloidal Aggregators,585,135513625,Oc1ccc(Br)cc1/C=N/n1cnc2ccccc21
-Colloidal Aggregators,585,135515059,COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(CCCC1=O)N2
-Colloidal Aggregators,585,135515063,Cc1cc(=O)[nH]c(SCc2cc(=O)n3nc(C)sc3n2)n1
-Colloidal Aggregators,585,135515069,COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2
-Colloidal Aggregators,585,135515081,CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)n2ncnc2N1
-Colloidal Aggregators,585,135515082,O=C1CCn2nc(-c3ccc(Cl)cc3)cc2N1
-Colloidal Aggregators,585,135515091,CCc1ccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1
-Colloidal Aggregators,585,135515092,COc1cc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1O
-Colloidal Aggregators,585,135515103,O=c1[nH]c(SCc2ccccc2Cl)nc2c1cnn2-c1ccccc1

CHAFF_individual_AIDs/pubchem_aid_587_active_curated.csv

@@ -1,29 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,587,4971,C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C
-Autofluoresence,587,13399,Nc1n[nH]c2ccccc12
-Autofluoresence,587,72685,CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)C1=Nc1c(C)cc(O)cc1O
-Autofluoresence,587,278672,O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21
-Autofluoresence,587,428781,CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
-Autofluoresence,587,649468,O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21
-Autofluoresence,587,652631,COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
-Autofluoresence,587,656056,O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1
-Autofluoresence,587,659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
-Autofluoresence,587,659498,CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
-Autofluoresence,587,660442,CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1
-Autofluoresence,587,663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
-Autofluoresence,587,870979,O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
-Autofluoresence,587,1247498,CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12
-Autofluoresence,587,1258835,COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
-Autofluoresence,587,2079240,Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
-Autofluoresence,587,2123860,CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
-Autofluoresence,587,2306089,CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21
-Autofluoresence,587,2368170,CN1/C(=C\C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21
-Autofluoresence,587,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,587,2999671,CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
-Autofluoresence,587,3239469,O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3
-Autofluoresence,587,3246581,COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
-Autofluoresence,587,5285253,CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1
-Autofluoresence,587,6604182,CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12
-Autofluoresence,587,6604373,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,587,6604382,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,587,9595220,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1

CHAFF_individual_AIDs/pubchem_aid_588498_active_curated.csv

@@ -1,19 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,588498,694926,Cc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1
-Luciferase Inhibition,588498,717496,Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1
-Luciferase Inhibition,588498,739418,COc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1
-Luciferase Inhibition,588498,784908,Cc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
-Luciferase Inhibition,588498,1050624,CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1
-Luciferase Inhibition,588498,1073734,Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1C
-Luciferase Inhibition,588498,1147591,COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1
-Luciferase Inhibition,588498,1164552,CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1
-Luciferase Inhibition,588498,1589756,COCCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2)c1C
-Luciferase Inhibition,588498,2997674,Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)c1
-Luciferase Inhibition,588498,2998337,Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)cc1
-Luciferase Inhibition,588498,2998640,Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC1CCCO1
-Luciferase Inhibition,588498,2999096,Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1CC1CCCO1
-Luciferase Inhibition,588498,7386060,Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(Cl)c1
-Luciferase Inhibition,588498,16317232,Cc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(CC2CCCO2)c1C
-Luciferase Inhibition,588498,46947841,COc1cccc(Cn2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2N)c1
-Luciferase Inhibition,588498,46947881,COc1ccc(Cn2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2N)cc1
-Luciferase Inhibition,588498,46947882,Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(C(F)(F)F)c1

CHAFF_individual_AIDs/pubchem_aid_588517_active_curated.csv

@@ -1,37 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,588517,648878,CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
-Autofluoresence,588517,659226,CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3
-Autofluoresence,588517,741762,CCN(CC)c1ccc(/C=C2\C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
-Autofluoresence,588517,839760,COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=S)NC1=O
-Autofluoresence,588517,1508409,O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1F
-Autofluoresence,588517,1814043,CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1
-Autofluoresence,588517,1973785,CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=O)oc2c1
-Autofluoresence,588517,2012947,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S
-Autofluoresence,588517,2113346,N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2nccs2)c1=O
-Autofluoresence,588517,2185720,CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
-Autofluoresence,588517,2187440,COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S
-Autofluoresence,588517,2221657,O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1
-Autofluoresence,588517,2313748,CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1
-Autofluoresence,588517,2321190,COc1cc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)ccc1O
-Autofluoresence,588517,3089611,CC(C)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
-Autofluoresence,588517,3244165,CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2S1
-Autofluoresence,588517,3614365,N#CC(C#N)=C1C=C2C=C(N3CCCCCC3)CCC2CC1
-Autofluoresence,588517,5281952,CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)sc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
-Autofluoresence,588517,5341736,Cc1ccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1
-Autofluoresence,588517,5722655,CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1
-Autofluoresence,588517,5731123,CCn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O
-Autofluoresence,588517,5752007,CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1
-Autofluoresence,588517,5904441,N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1
-Autofluoresence,588517,6027441,N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1
-Autofluoresence,588517,6263418,CCOC(=O)C1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)CC1c1ccccc1
-Autofluoresence,588517,6865519,Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2n1
-Autofluoresence,588517,7315398,CCCSc1cc(N2CCCC2)nc(-c2ccccc2)n1
-Autofluoresence,588517,9551964,CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
-Autofluoresence,588517,16193008,CC(=O)N(/C=C\C=C\C=C1/Sc2ccccc2C1=O)c1ccccc1
-Autofluoresence,588517,16195554,O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1
-Autofluoresence,588517,23723895,Nc1ccc2ccc3cccc[n+]3c2c1.[O-][Cl+3]([O-])([O-])[O-]
-Autofluoresence,588517,24747879,CN1CCCC1CCNc1ccc2sc3ccccc3c(=O)c2c1
-Autofluoresence,588517,24761624,O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)SC(=S)N1Cc1ccc(Cl)cc1
-Autofluoresence,588517,24978955,Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
-Autofluoresence,588517,25102769,COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1
-Autofluoresence,588517,54736625,Cc1cc(/C=C\c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O

CHAFF_individual_AIDs/pubchem_aid_588620_active_curated.csv

@@ -1,12 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,588620,375895,COc1ccc(OC)c2c1C(=O)C(Cl)=C(Cl)C2=O
-Autofluoresence,588620,2041056,O=C1/C(=C/c2ccco2)Oc2c1ccc(O)c2CN1CCCCC1
-Autofluoresence,588620,3238262,Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NCc3ccco3)n2n1
-Autofluoresence,588620,4287298,Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br
-Autofluoresence,588620,5285231,Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1
-Autofluoresence,588620,5308194,CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
-Autofluoresence,588620,6621522,C=CCn1c(=O)[nH]c2nc3cc(N=CN(C)C)c(C)cc3nc2c1=O
-Autofluoresence,588620,11948839,O=[N+]([O-])c1ccc(N2N=C(c3ccco3)CC2c2ccccc2)cc1
-Autofluoresence,588620,42601195,C[C@@]12C(=O)Nc3cc(F)c(F)cc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1
-Autofluoresence,588620,44601951,COc1cc2sc(-c3ccccc3OC)c(-c3ccc(OCCN4CCOCC4)cc3)c2cc1OC
-Autofluoresence,588620,135516114,Cc1ccc2nc(/C(C#N)=C/c3ccc(O)c(O)c3)[nH]c2c1

CHAFF_individual_AIDs/pubchem_aid_588_active_curated.csv

@@ -1,22 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,588,13399,Nc1n[nH]c2ccccc12
-Autofluoresence,588,72685,CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)C1=Nc1c(C)cc(O)cc1O
-Autofluoresence,588,151582,CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
-Autofluoresence,588,428781,CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
-Autofluoresence,588,650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,588,652631,COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
-Autofluoresence,588,659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
-Autofluoresence,588,659498,CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
-Autofluoresence,588,663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
-Autofluoresence,588,870979,O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
-Autofluoresence,588,1258835,COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
-Autofluoresence,588,2079240,Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
-Autofluoresence,588,2123860,CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
-Autofluoresence,588,2306089,CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21
-Autofluoresence,588,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,588,2906351,CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O
-Autofluoresence,588,2999671,CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
-Autofluoresence,588,3098234,CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
-Autofluoresence,588,6604373,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,588,6604382,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,588,9595220,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1

CHAFF_individual_AIDs/pubchem_aid_591_active_curated.csv

@@ -1,55 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,591,1720,Nc1ccc2c3c(cccc13)C(=O)NC2=O
-Autofluoresence,591,3108,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
-Autofluoresence,591,6759,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C
-Autofluoresence,591,151582,CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
-Autofluoresence,591,176158,Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21
-Autofluoresence,591,274104,O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21
-Autofluoresence,591,419920,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
-Autofluoresence,591,611015,CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O
-Autofluoresence,591,647501,CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
-Autofluoresence,591,649996,CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1
-Autofluoresence,591,650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,591,653616,O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccn1
-Autofluoresence,591,654584,CCNc1cccc2c1C(=O)N(C)C2=O
-Autofluoresence,591,658314,CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
-Autofluoresence,591,658669,CCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1
-Autofluoresence,591,659226,CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3
-Autofluoresence,591,659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
-Autofluoresence,591,659512,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1
-Autofluoresence,591,659515,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
-Autofluoresence,591,659656,CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1
-Autofluoresence,591,659705,COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1
-Autofluoresence,591,659745,CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,591,659807,CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,591,660313,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1
-Autofluoresence,591,660662,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1
-Autofluoresence,591,660839,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)C1
-Autofluoresence,591,662817,CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
-Autofluoresence,591,663616,CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S
-Autofluoresence,591,663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
-Autofluoresence,591,664134,Cn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,591,664831,CCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,591,665240,CCn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,591,666470,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N
-Autofluoresence,591,677487,O=C1CCN2C=Nc3cccc4ccc1c2c34
-Autofluoresence,591,697318,CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21
-Autofluoresence,591,712714,CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,591,756377,CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12
-Autofluoresence,591,910585,CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1
-Autofluoresence,591,2135723,N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3
-Autofluoresence,591,2135742,N#Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1
-Autofluoresence,591,2402094,CN(C)/C=c1\sc2c(C#N)cc(C(=O)c3ccc(Br)cc3)n2c1=O
-Autofluoresence,591,2943646,CCOc1cc(C2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O
-Autofluoresence,591,2998487,N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,591,2999890,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,591,3098234,CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
-Autofluoresence,591,3234584,CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
-Autofluoresence,591,3238678,CCN(CC)c1ccc(C=N/C(C#N)=C(\N)C#N)cc1
-Autofluoresence,591,3241834,COc1ccc(C2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC
-Autofluoresence,591,3243384,CCN(CC)c1ccc2cc(NC(=O)CCC(=O)O)c(=O)oc2c1
-Autofluoresence,591,6604382,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,591,7041550,C=CCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C(/C#N)c1nc2ccccc2n1C
-Autofluoresence,591,135399314,NC(=O)c1cc2ccc(O)cc2oc1=NCc1ccccc1
-Autofluoresence,591,135415385,O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1
-Autofluoresence,591,135449558,O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1

CHAFF_individual_AIDs/pubchem_aid_592_active_curated.csv

@@ -1 +0,0 @@
-Type,AID,CID,SMILES

CHAFF_individual_AIDs/pubchem_aid_593_active_curated.csv

@@ -1,498 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,593,1720,Nc1ccc2c3c(cccc13)C(=O)NC2=O
-Autofluoresence,593,2061,N#CC(C#N)=Cc1cc(O)c(O)c(O)c1
-Autofluoresence,593,3108,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
-Autofluoresence,593,3565,CC1=NCCc2c1[nH]c1cc(O)ccc21
-Autofluoresence,593,3698,Nc1cc(-c2ccncc2)c[nH]c1=O
-Autofluoresence,593,3926,Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
-Autofluoresence,593,5092,COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
-Autofluoresence,593,6759,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C
-Autofluoresence,593,8515,O=C1c2ccccc2-c2n[nH]c3cccc1c23
-Autofluoresence,593,10168,O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
-Autofluoresence,593,12555,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
-Autofluoresence,593,14987,CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
-Autofluoresence,593,28693,CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
-Autofluoresence,593,31116,CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
-Autofluoresence,593,34312,NC(=O)N1c2ccccc2CC(=O)c2ccccc21
-Autofluoresence,593,53276,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
-Autofluoresence,593,64725,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
-Autofluoresence,593,72574,O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O
-Autofluoresence,593,72685,CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)C1=Nc1c(C)cc(O)cc1O
-Autofluoresence,593,72843,CN1CCN(Cc2nc3cccc4c3c([n+]2[O-])-c2ccccc2-4)CC1
-Autofluoresence,593,73453,CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
-Autofluoresence,593,73484,CC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
-Autofluoresence,593,100603,COc1cc2ccccc2c2cc([N+](=O)[O-])oc12
-Autofluoresence,593,151582,CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
-Autofluoresence,593,158617,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12
-Autofluoresence,593,176158,Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21
-Autofluoresence,593,226105,O=C(O)C[S+]([O-])c1ccc2c3c(cccc13)C(=O)c1ccccc1-2
-Autofluoresence,593,241841,Nc1cc(C(=O)O)[nH]c(=O)n1
-Autofluoresence,593,254340,O=c1c(O)c(-c2cccs2)oc2ccccc12
-Autofluoresence,593,254860,Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2cc3ccccc3c3ccccc23)cc1
-Autofluoresence,593,267103,Cn1c(=O)c2[nH]c(CS(=O)(=O)Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)nc2n(C)c1=O
-Autofluoresence,593,272662,Nc1nc(N)c(N=Nc2ccc(C(=O)O)c(O)c2)c(N)n1
-Autofluoresence,593,274104,O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21
-Autofluoresence,593,274127,O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
-Autofluoresence,593,328773,CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
-Autofluoresence,593,334780,Cn1c(=O)c2nncnc2n(C)c1=O
-Autofluoresence,593,379416,CN(C)C=Nc1c(Br)cc(Br)c2nonc12
-Autofluoresence,593,387119,O=[N+]([O-])c1ccc2ncccc2c1CCc1c([N+](=O)[O-])ccc2ncccc12
-Autofluoresence,593,419920,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
-Autofluoresence,593,572006,CC1=C(C#N)C(=O)OC(C)(C)C1
-Autofluoresence,593,595031,COc1cccc(=O)c2c(C)oc(C)c12
-Autofluoresence,593,600799,Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1
-Autofluoresence,593,611015,CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O
-Autofluoresence,593,615484,Cc1nc2nc(-c3cccs3)cn2nc1C
-Autofluoresence,593,621538,N#CC1=C(N)N2C(=C(C#N)C1c1ccccc1)Sc1ccccc12
-Autofluoresence,593,627902,CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1
-Autofluoresence,593,644413,CN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3)C2C1
-Autofluoresence,593,644549,CC(C)OC(=O)CC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3
-Autofluoresence,593,644571,CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O
-Autofluoresence,593,645401,CCOc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N
-Autofluoresence,593,645423,CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1
-Autofluoresence,593,645772,N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2CCCC=C12
-Autofluoresence,593,645808,COc1ccc(OC)c(C2C3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1
-Autofluoresence,593,646043,Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
-Autofluoresence,593,646114,CCCC1C2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N
-Autofluoresence,593,646121,CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
-Autofluoresence,593,646132,CCN1CC=C2C(C1)C(c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N
-Autofluoresence,593,646207,COc1ccc(CSc2nnc(C)n2N)cc1
-Autofluoresence,593,646280,CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OCC)cc2)n1
-Autofluoresence,593,646577,C=CCn1c(O)c(CN2CCN(Cc3ccccc3)CC2)c(C)c(C#N)c1=O
-Autofluoresence,593,646863,CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OCC
-Autofluoresence,593,646956,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
-Autofluoresence,593,647185,CCOc1ccc2nc(N3CCCN(C(=O)Nc4ccccc4C)CC3)c(C#N)cc2c1
-Autofluoresence,593,647187,Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1
-Autofluoresence,593,647308,O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCOCC1
-Autofluoresence,593,647501,CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
-Autofluoresence,593,647683,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
-Autofluoresence,593,647740,C=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
-Autofluoresence,593,647841,c1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1
-Autofluoresence,593,647857,CN(C)c1ccc(-c2nnc(-c3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1
-Autofluoresence,593,647979,CCOC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C
-Autofluoresence,593,648100,COc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1
-Autofluoresence,593,648156,O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1
-Autofluoresence,593,648160,COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
-Autofluoresence,593,648447,COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC
-Autofluoresence,593,648990,O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccccc1
-Autofluoresence,593,649193,COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1
-Autofluoresence,593,649341,O=S(=O)(CCn1cccc1)CCn1cccc1
-Autofluoresence,593,649434,CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1
-Autofluoresence,593,649462,Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1
-Autofluoresence,593,649468,O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21
-Autofluoresence,593,649963,COc1ccc2nc(N3CCCC3)c(C#N)cc2c1
-Autofluoresence,593,649996,CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1
-Autofluoresence,593,650445,COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1
-Autofluoresence,593,650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,593,650713,COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C
-Autofluoresence,593,650942,Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N
-Autofluoresence,593,651025,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1
-Autofluoresence,593,651263,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(Cc3ccccc3)C2C1
-Autofluoresence,593,651422,CCCN1CCCc2cc(CN)ccc21.O=C(O)C(=O)O
-Autofluoresence,593,651453,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1
-Autofluoresence,593,651577,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1
-Autofluoresence,593,651615,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N
-Autofluoresence,593,651812,CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O
-Autofluoresence,593,652026,N#CC1=C(N)C(C#N)(C#N)C(c2ccc[nH]2)C2CCCC=C12
-Autofluoresence,593,652094,O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12
-Autofluoresence,593,652574,Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CCCC4)s3)CC2)cc1
-Autofluoresence,593,652631,COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
-Autofluoresence,593,653599,CC1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1
-Autofluoresence,593,653616,O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccn1
-Autofluoresence,593,653657,COc1ccc2nc(N3CCCC(O)C3)c(C#N)cc2c1
-Autofluoresence,593,653696,Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCCC2
-Autofluoresence,593,653707,CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1
-Autofluoresence,593,653805,N#CC1=C(N)SC(N)=C(C#N)C1CCc1ccccc1
-Autofluoresence,593,654584,CCNc1cccc2c1C(=O)N(C)C2=O
-Autofluoresence,593,654648,C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1
-Autofluoresence,593,654701,CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
-Autofluoresence,593,655504,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(Cl)ccc3Cl)C2C1
-Autofluoresence,593,655559,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1
-Autofluoresence,593,655684,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3Cl)C2C1
-Autofluoresence,593,655712,O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
-Autofluoresence,593,656096,CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O
-Autofluoresence,593,657500,CC1C2C(c3ccccc3)N(C)C(=O)N(C)C2N(C)C(=O)N1C
-Autofluoresence,593,657558,CC(=O)C1(C)OC(N)=C(C#N)C(c2ccccc2)C1(C#N)C#N
-Autofluoresence,593,657586,N#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2
-Autofluoresence,593,657591,CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3)C2C1
-Autofluoresence,593,657598,Cc1ccc(C2C3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1
-Autofluoresence,593,657666,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccncc3)C2C1
-Autofluoresence,593,657691,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1
-Autofluoresence,593,657744,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)C2C1
-Autofluoresence,593,657849,Cn1c(=O)[nH]c2cc(Cl)cnc21
-Autofluoresence,593,657981,CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1
-Autofluoresence,593,658006,CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
-Autofluoresence,593,658037,CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1
-Autofluoresence,593,658074,Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N
-Autofluoresence,593,658142,CCOC(=O)c1c(C)[nH]c(C=Nc2ccccc2)c1O
-Autofluoresence,593,658202,Cn1ncc(N=Cc2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1
-Autofluoresence,593,658239,COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2
-Autofluoresence,593,658314,CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
-Autofluoresence,593,658317,CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1
-Autofluoresence,593,658322,CCOC(=O)COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
-Autofluoresence,593,658451,CC1(C)Cc2c(c(-c3ccco3)[nH]c(=O)c2C#N)CS1
-Autofluoresence,593,658614,CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1
-Autofluoresence,593,658669,CCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1
-Autofluoresence,593,658720,COc1cccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)c1OC
-Autofluoresence,593,658792,O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3
-Autofluoresence,593,658867,CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O
-Autofluoresence,593,658913,Cc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1
-Autofluoresence,593,659226,CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3
-Autofluoresence,593,659293,Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
-Autofluoresence,593,659347,N#Cc1c(N)sc(=S)c2c1CCCCC2
-Autofluoresence,593,659384,N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1
-Autofluoresence,593,659397,C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1
-Autofluoresence,593,659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
-Autofluoresence,593,659480,CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC
-Autofluoresence,593,659494,CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1
-Autofluoresence,593,659498,CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
-Autofluoresence,593,659507,O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1O
-Autofluoresence,593,659512,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1
-Autofluoresence,593,659513,CC(C)OC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br
-Autofluoresence,593,659515,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
-Autofluoresence,593,659547,COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
-Autofluoresence,593,659605,CC(C)C1Cc2c(C#N)c(N)sc(=S)c2CO1
-Autofluoresence,593,659607,CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1
-Autofluoresence,593,659656,CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1
-Autofluoresence,593,659673,CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1
-Autofluoresence,593,659705,COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1
-Autofluoresence,593,659722,COC(=O)c1c(=O)n(O)c2ccc(OC)cc2[n+]1[O-]
-Autofluoresence,593,659723,COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,659745,CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,659752,Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1
-Autofluoresence,593,659806,C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
-Autofluoresence,593,659807,CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,659950,CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC(C)O1
-Autofluoresence,593,660001,CN1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1
-Autofluoresence,593,660034,C=CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21
-Autofluoresence,593,660152,CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21
-Autofluoresence,593,660157,Cc1ccc([C@@H]2C3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1
-Autofluoresence,593,660313,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1
-Autofluoresence,593,660442,CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1
-Autofluoresence,593,660447,COc1cc2c(cc1OC)CN(C(=O)CSc1nc(N)c(C#N)cc1C#N)CC2
-Autofluoresence,593,660490,CN1CCc2c(sc3c2C(=O)NC(c2cccs2)N3)C1
-Autofluoresence,593,660507,C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
-Autofluoresence,593,660538,COCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
-Autofluoresence,593,660549,CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
-Autofluoresence,593,660556,Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4
-Autofluoresence,593,660579,O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1O
-Autofluoresence,593,660629,CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
-Autofluoresence,593,660646,Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)s1
-Autofluoresence,593,660662,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1
-Autofluoresence,593,660669,N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@H]2CN(Cc3ccccc3)CC=C12
-Autofluoresence,593,660702,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3
-Autofluoresence,593,660719,Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1
-Autofluoresence,593,660720,CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
-Autofluoresence,593,660839,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)C1
-Autofluoresence,593,661027,Cc1c(CCC#N)c(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,593,661087,N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
-Autofluoresence,593,661203,CC1CCc2cccc3c2N1c1cc(C#N)c(C#N)cc1O3
-Autofluoresence,593,661387,Cn1c(CN2CCCCC2)c(C#N)c2ccccc21
-Autofluoresence,593,661518,CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2cc1OC(=O)N1CCOCC1
-Autofluoresence,593,661603,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
-Autofluoresence,593,661750,CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
-Autofluoresence,593,661751,CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O
-Autofluoresence,593,661799,CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1
-Autofluoresence,593,661810,CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
-Autofluoresence,593,661894,Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O
-Autofluoresence,593,661898,CC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccccc1)N2
-Autofluoresence,593,661970,COc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nc(NC(C)=O)nn32)cc1
-Autofluoresence,593,662084,COc1cccc(C2=CC(c3ccc(C)cc3)n3ncnc3N2)c1
-Autofluoresence,593,662095,COc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1
-Autofluoresence,593,662152,COc1ccc(CCn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1
-Autofluoresence,593,662176,CCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
-Autofluoresence,593,662192,CN1CCN(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)CC1
-Autofluoresence,593,662202,CCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1
-Autofluoresence,593,662228,N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1
-Autofluoresence,593,662231,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccn2)CC1)CC3
-Autofluoresence,593,662443,CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
-Autofluoresence,593,662574,CN(C)c1ccc(N=Cc2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1
-Autofluoresence,593,662578,CCC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1
-Autofluoresence,593,662691,COc1ccccc1C1C=C(c2ccc(Br)cc2)Nc2nc(NS(C)(=O)=O)nn21
-Autofluoresence,593,662721,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC
-Autofluoresence,593,662746,CC1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1
-Autofluoresence,593,662817,CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
-Autofluoresence,593,662942,COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1
-Autofluoresence,593,663107,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC
-Autofluoresence,593,663166,COc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1
-Autofluoresence,593,663246,COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3cccnc3)c2=N)cc1
-Autofluoresence,593,663300,CCN(CC)c1ccc(N=Cc2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1
-Autofluoresence,593,663388,CC(C)OCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21
-Autofluoresence,593,663493,CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,593,663530,Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1C
-Autofluoresence,593,663616,CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S
-Autofluoresence,593,663684,O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,593,663689,CC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,593,663729,CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N
-Autofluoresence,593,663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
-Autofluoresence,593,664005,CCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21
-Autofluoresence,593,664021,O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,593,664134,Cn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,593,664183,CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)s1
-Autofluoresence,593,664455,CC(C)n1c(=NC(=O)c2ccco2)c(C#N)cc2c(=O)n3ccccc3cc21
-Autofluoresence,593,664499,COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1
-Autofluoresence,593,664517,Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C=CN2[C@@H]3C(=O)c2ccco2)cc1
-Autofluoresence,593,664603,N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,593,664626,CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C2c3ccccc3C=CN21
-Autofluoresence,593,664704,Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(CC4CCCO4)c3nc12
-Autofluoresence,593,664737,CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21
-Autofluoresence,593,664819,COc1ccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)cc1
-Autofluoresence,593,664831,CCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,593,664862,CCN1C(=O)/C(=C\N2CCCc3ccccc32)SC1=S
-Autofluoresence,593,664885,Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(CCCOC(C)C)c3nc12
-Autofluoresence,593,665052,CCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O
-Autofluoresence,593,665240,CCn1nc(-c2ccccc2)c2nc3ccccc3nc21
-Autofluoresence,593,665296,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1
-Autofluoresence,593,665302,O=C1NC(=O)[C@@H]2C3c4ccccc4C=CN3[C@H](C(=O)c3cccs3)[C@H]12
-Autofluoresence,593,665431,O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2CCCN21
-Autofluoresence,593,665451,C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1
-Autofluoresence,593,665460,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl
-Autofluoresence,593,665589,CC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1
-Autofluoresence,593,665607,Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(O)c1ccccc1
-Autofluoresence,593,665751,Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1
-Autofluoresence,593,665788,CCOC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1
-Autofluoresence,593,665803,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1C
-Autofluoresence,593,666289,CCN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1
-Autofluoresence,593,666470,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N
-Autofluoresence,593,666651,Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1
-Autofluoresence,593,666683,Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1
-Autofluoresence,593,666730,CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1
-Autofluoresence,593,666840,CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
-Autofluoresence,593,667115,Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12
-Autofluoresence,593,667182,N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1cccs1
-Autofluoresence,593,667601,N#C/C(=C\c1ccc(O)c(O)c1)C(N)=S
-Autofluoresence,593,667645,COc1cc(C=C(C#N)C#N)cc(O)c1O
-Autofluoresence,593,677487,O=C1CCN2C=Nc3cccc4ccc1c2c34
-Autofluoresence,593,678451,Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1
-Autofluoresence,593,686110,CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,593,688200,CN(C)c1ccc(/C=C/c2ccncc2)cc1
-Autofluoresence,593,697318,CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21
-Autofluoresence,593,707260,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCOCC1
-Autofluoresence,593,711717,COc1ccc2oc(=O)c(C(=O)O)cc2c1
-Autofluoresence,593,712660,N#Cc1c(N)sc(=S)c2c1CCCC2
-Autofluoresence,593,712714,CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,593,713735,COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O
-Autofluoresence,593,750731,Cc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)o1
-Autofluoresence,593,751746,COc1cc(/C=C/C2=NC(=O)C(C)(C)O2)ccc1O
-Autofluoresence,593,753711,Cc1ccnn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12
-Autofluoresence,593,756377,CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12
-Autofluoresence,593,776673,CC1(C)Cc2c(C#N)c(N)sc(=S)c2CS1
-Autofluoresence,593,829764,CCN(CC)c1ccc2oc(=O)c(C)nc2c1
-Autofluoresence,593,845429,N#CC1=C(N)SC(N)=C(C#N)C1c1ccoc1
-Autofluoresence,593,854591,CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1
-Autofluoresence,593,866368,C=CCn1c(=S)[nH]c2ccc(Br)cc2c1=O
-Autofluoresence,593,870979,O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
-Autofluoresence,593,910585,CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1
-Autofluoresence,593,933785,CC[C@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
-Autofluoresence,593,935137,CNC(=O)c1cc2ccc(OC)cc2oc1=O
-Autofluoresence,593,941462,CN1C[C@@H](CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21
-Autofluoresence,593,951071,CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21
-Autofluoresence,593,954208,Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)C2CCCCC2)c(C)c1
-Autofluoresence,593,973704,CCOC(=O)CCSc1nc(C)cc(C(F)(F)F)c1C#N
-Autofluoresence,593,974772,CCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N
-Autofluoresence,593,1045636,N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1nc(N)nc(N2CCOCC2)n1
-Autofluoresence,593,1083226,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1
-Autofluoresence,593,1086994,Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1
-Autofluoresence,593,1204923,COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1
-Autofluoresence,593,1243722,O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1
-Autofluoresence,593,1253223,O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1
-Autofluoresence,593,1258835,COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
-Autofluoresence,593,1287636,Cc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br
-Autofluoresence,593,1291706,CCOc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1
-Autofluoresence,593,1349907,Cn1cc[nH]c1=S
-Autofluoresence,593,1561922,CCOC(=O)CSC1=NC(=O)CS1
-Autofluoresence,593,1596915,Cc1csc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)n1
-Autofluoresence,593,1896271,CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)SC1=S
-Autofluoresence,593,1963098,Cc1cccc(-n2c(O)c(C=Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)n1
-Autofluoresence,593,1980764,Cc1ccccc1-n1c(=O)/c(=C\c2ccco2)s/c1=C(/C#N)C(=O)Nc1ccccc1
-Autofluoresence,593,2042689,CN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1
-Autofluoresence,593,2079240,Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
-Autofluoresence,593,2087886,COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1
-Autofluoresence,593,2092663,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc(-c2ccccc2C)n1
-Autofluoresence,593,2099488,Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(C)CCC#N)n3N)c3ccccc3n2)cc1
-Autofluoresence,593,2101204,Cc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
-Autofluoresence,593,2113113,C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(/C#N)C(=O)c1ccccc1
-Autofluoresence,593,2123860,CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
-Autofluoresence,593,2135723,N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3
-Autofluoresence,593,2135742,N#Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1
-Autofluoresence,593,2139446,COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1
-Autofluoresence,593,2143534,CCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
-Autofluoresence,593,2144321,CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
-Autofluoresence,593,2188632,CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1
-Autofluoresence,593,2190927,CN(C)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1
-Autofluoresence,593,2191016,CCOC(=O)SC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1
-Autofluoresence,593,2193273,Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12
-Autofluoresence,593,2219483,O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)NCc1ccco1
-Autofluoresence,593,2231322,Cc1cc2c(=O)n(C)c(SCC(=O)c3cc4ccccc4o3)nc2s1
-Autofluoresence,593,2308215,CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccco1
-Autofluoresence,593,2310918,C=CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2
-Autofluoresence,593,2318690,Cn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
-Autofluoresence,593,2321890,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2nncn2C)cc1
-Autofluoresence,593,2328568,CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1
-Autofluoresence,593,2328849,CCOC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1
-Autofluoresence,593,2369071,CCN1C(=S)SC(=O)C1=C1C=C(C)OC(C)=C1
-Autofluoresence,593,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,593,2385021,Cc1cccc(-n2c(O)c(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3c2=O)n1
-Autofluoresence,593,2402094,CN(C)/C=c1\sc2c(C#N)cc(C(=O)c3ccc(Br)cc3)n2c1=O
-Autofluoresence,593,2432730,O=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1
-Autofluoresence,593,2554133,Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1
-Autofluoresence,593,2566737,Cc1sc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)[nH]c(=O)c2c1C
-Autofluoresence,593,2794423,NC1=CC(=O)c2cccc3cccc1c23
-Autofluoresence,593,2902397,O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)N1CCCCC1
-Autofluoresence,593,2906351,CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O
-Autofluoresence,593,2931507,O=C(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
-Autofluoresence,593,2931812,O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1
-Autofluoresence,593,2932153,Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CCC3)cc1
-Autofluoresence,593,2939122,COc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1
-Autofluoresence,593,2940063,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC
-Autofluoresence,593,2943646,CCOc1cc(C2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O
-Autofluoresence,593,2944871,N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccco1
-Autofluoresence,593,2945731,COc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2nc(NS(C)(=O)=O)nn21
-Autofluoresence,593,2951463,Cc1cc2c(cc1C)NC(c1c(C)n(C)n(-c3ccccc3)c1=O)C1=C(CC(C)(C)CC1=O)N2
-Autofluoresence,593,2953653,Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12
-Autofluoresence,593,2957013,O=C1C2CC=C(Cl)CC2C(=O)N1CCc1ccccc1
-Autofluoresence,593,2958453,O=C(CC1NC(=O)NC1=O)Nc1cccc2ccccc12
-Autofluoresence,593,2970117,O=C(CCC1COc2ccccc2O1)Nc1cccnc1
-Autofluoresence,593,2998335,CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCOC)C(C)=C1
-Autofluoresence,593,2998487,N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,2999019,N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,2999086,COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1
-Autofluoresence,593,2999406,COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1
-Autofluoresence,593,2999671,CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
-Autofluoresence,593,2999796,Cc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)NC(=O)C32)cc1
-Autofluoresence,593,2999799,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCC)C1
-Autofluoresence,593,2999890,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
-Autofluoresence,593,2999943,CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1ccccc1
-Autofluoresence,593,2999948,Cc1cc(-c2ccco2)n2c(nc3ccccc32)c1C#N
-Autofluoresence,593,3000028,COc1ccc(C2=CC(c3ccc(Cl)cc3)n3cnnc3N2)cc1OC
-Autofluoresence,593,3098234,CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
-Autofluoresence,593,3124675,CCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O
-Autofluoresence,593,3232726,N#CCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCOCC3)nc21
-Autofluoresence,593,3232809,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3cccc(OC)c3)nc21
-Autofluoresence,593,3232847,COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC)cc4)CC3)C2)cc1
-Autofluoresence,593,3232854,N#Cc1cccc(-c2nc3cnc(Nc4ccccc4)nc3n(C[C@H]3CCCO3)c2=O)c1
-Autofluoresence,593,3232941,COc1cccc(Nc2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(CCC#N)c3n2)c1
-Autofluoresence,593,3233025,CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1
-Autofluoresence,593,3233046,COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1
-Autofluoresence,593,3233085,Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
-Autofluoresence,593,3233145,c1cncc(-c2cncnc2NC2CCNCC2)c1
-Autofluoresence,593,3233285,COc1cccc(Cn2c(=O)c(-c3cccc(C#N)c3)nc3cnc(Nc4ccccc4)nc32)c1
-Autofluoresence,593,3233367,COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2
-Autofluoresence,593,3233418,COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)c1
-Autofluoresence,593,3233667,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1C1CC1
-Autofluoresence,593,3233887,COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)cc1
-Autofluoresence,593,3233987,COc1ccc(C(=O)N2CCC3(CCCN(c4cccc(-c5ccccc5)c4)C3)CC2)cc1
-Autofluoresence,593,3234005,CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C)c2n1
-Autofluoresence,593,3234126,COCCn1c(=O)c(-c2cccs2)nc2cnc(Nc3ccccc3)nc21
-Autofluoresence,593,3234135,COc1cccc(Nc2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(C[C@H]4CCCO4)c3n2)c1
-Autofluoresence,593,3234164,CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C3CC3)c2n1
-Autofluoresence,593,3234196,CN(C)Cc1ccccc1-c1nccc(NCc2cccs2)n1
-Autofluoresence,593,3234208,CCNc1ncc2nc(-c3cccs3)c(=O)n(CCC#N)c2n1
-Autofluoresence,593,3234342,O=c1c(-c2cccs2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1
-Autofluoresence,593,3234551,COc1cccc(Nc2ncc3nc(-c4cccs4)c(=O)n(C[C@H]4CCCO4)c3n2)c1
-Autofluoresence,593,3234584,CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
-Autofluoresence,593,3234766,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3ccccc3)nc21
-Autofluoresence,593,3234992,COC(=O)N1CCC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)CC1
-Autofluoresence,593,3235081,CN(C)c1ncc2nc(-c3cccs3)c(=O)n(CCC#N)c2n1
-Autofluoresence,593,3235529,COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2cccc(C#N)c2)C3)cc1
-Autofluoresence,593,3235578,COc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
-Autofluoresence,593,3236254,c1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
-Autofluoresence,593,3236513,O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1
-Autofluoresence,593,3237242,O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCC2(CC1)OCCO2
-Autofluoresence,593,3237841,CCOC(=O)N1CCC(Nc2nc3ccccc3n3nnnc23)CC1
-Autofluoresence,593,3237856,COc1cccc(C2C=C(c3ccc(Br)s3)Nc3ncnn32)c1OC
-Autofluoresence,593,3238385,Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)cc1
-Autofluoresence,593,3238415,CN(C)c1ccc(C2C=C(c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)cc1
-Autofluoresence,593,3238678,CCN(CC)c1ccc(C=N/C(C#N)=C(\N)C#N)cc1
-Autofluoresence,593,3239008,COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12
-Autofluoresence,593,3239469,O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3
-Autofluoresence,593,3239492,Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
-Autofluoresence,593,3240735,O=C(O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2
-Autofluoresence,593,3240783,CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
-Autofluoresence,593,3240857,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(OC)c3OC)C2C1
-Autofluoresence,593,3241305,CCN1C(=O)c2cccc3c(NC(=O)c4ccc5c(c4)OCCO5)ccc1c23
-Autofluoresence,593,3241568,Cc1cc2c(c(=O)o1)C1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2
-Autofluoresence,593,3241834,COc1ccc(C2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC
-Autofluoresence,593,3242113,CC(=O)Nc1ccc(N=Cc2nc(-c3ccc(C)cc3)oc2O)cc1
-Autofluoresence,593,3242134,CCC1=C/C(=C/N(C)c2ccccc2)C(=O)S1
-Autofluoresence,593,3242534,CC1(C)CC(=O)C2=C(C1)N1CCCCC1CC2=O
-Autofluoresence,593,3242663,O=[n+]1c2c(n([O-])c3cc(F)c(N4CCCC4)cc31)CCC2
-Autofluoresence,593,3243384,CCN(CC)c1ccc2cc(NC(=O)CCC(=O)O)c(=O)oc2c1
-Autofluoresence,593,3243388,O=C(c1ccco1)N1CCN(c2nc3ccccc3n3nnnc23)CC1
-Autofluoresence,593,3244798,Cn1c2ccccc2c(=O)n2c(=O)c3ccccc3cc12
-Autofluoresence,593,3245701,CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1
-Autofluoresence,593,3245723,CCOC(=O)c1ccc2[nH]cc(C(C)=O)c(=O)c2c1
-Autofluoresence,593,3245940,Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1
-Autofluoresence,593,3246003,N[C@@H](Cc1[nH]nc2ccccc12)C(=O)O
-Autofluoresence,593,3246349,CN1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@@H]21
-Autofluoresence,593,3246455,N[C@@H]1[C@@H]2[C@@H]3C[C@H]4N(CC[C@@]14C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O
-Autofluoresence,593,3246550,[O-][n+]1c(CN2CCCCC2)nc2cccc3c2c1-c1ccccc1-3
-Autofluoresence,593,3381553,C=CCn1c(O)c(C=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O
-Autofluoresence,593,3555866,O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1C=Nc1ccccc1N1CCCC1
-Autofluoresence,593,4394541,CC(=O)N1CCN(c2ccc(N=Cc3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2)CC1
-Autofluoresence,593,5281073,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
-Autofluoresence,593,5287341,COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1
-Autofluoresence,593,5307522,CN1CCc2c(sc3c2C(=O)NC(/C=C/c2ccco2)N3)C1
-Autofluoresence,593,5312137,CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2
-Autofluoresence,593,5353636,O=C1OCCN1/N=C\c1ccc([N+](=O)[O-])o1
-Autofluoresence,593,5353685,COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
-Autofluoresence,593,5353830,O=C1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)N1
-Autofluoresence,593,5372720,O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1
-Autofluoresence,593,5389207,Cc1cc(=O)oc2c(CN3CCC(C)CC3)c(O)c(Cl)cc12
-Autofluoresence,593,5389286,N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1
-Autofluoresence,593,5389431,COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1
-Autofluoresence,593,5771347,O=C1CC(/C=C/c2ccco2)=Nc2ccccc2N1
-Autofluoresence,593,5771392,CCn1nc(C)c(/C=C2\CCCC3=C2OC(N)=C(C#N)C3c2c(C)nn(CC)c2C)c1C
-Autofluoresence,593,5771425,N#CC1=C(N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1
-Autofluoresence,593,5795962,Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)o1
-Autofluoresence,593,5800609,Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1
-Autofluoresence,593,6321253,CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
-Autofluoresence,593,6564523,CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN)CCC[C@@]21C
-Autofluoresence,593,6603810,CC[C@H](C)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
-Autofluoresence,593,6603834,CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
-Autofluoresence,593,6603886,O=C(/C=C\c1ccc(O)cc1)c1ccc(O)cc1O
-Autofluoresence,593,6603895,CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@H](C)O)CN(C)[C@H]1C2
-Autofluoresence,593,6603909,CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1
-Autofluoresence,593,6603910,CN1C[C@@H](CS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21
-Autofluoresence,593,6603914,Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
-Autofluoresence,593,6603921,CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
-Autofluoresence,593,6603979,CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
-Autofluoresence,593,6604029,N#CC(C#N)=C/C(N)=C(/C#N)c1cc(O)c(O)c(O)c1
-Autofluoresence,593,6604182,CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12
-Autofluoresence,593,6604259,CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12
-Autofluoresence,593,6604277,CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21
-Autofluoresence,593,6604356,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
-Autofluoresence,593,6604373,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,593,6604382,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,593,6604416,CCN[C@@H]1C[C@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H](O)[C@H]1O[C@H]1OC[C@@](C)(O)[C@@H](NC)[C@@H]1O
-Autofluoresence,593,6604446,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@@H]21
-Autofluoresence,593,6604463,CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13
-Autofluoresence,593,6604626,CC(=O)Oc1ccc(/C=C\C(=O)C[C@@H]2O[C@@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1
-Autofluoresence,593,6604677,CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
-Autofluoresence,593,6604679,CC(C)[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
-Autofluoresence,593,7041550,C=CCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C(/C#N)c1nc2ccccc2n1C
-Autofluoresence,593,9568650,CN1CCc2c(sc(/N=C/c3ccco3)c2C(N)=O)C1
-Autofluoresence,593,9568651,CN1CCc2c(sc(/N=C/c3cccs3)c2C(N)=O)C1
-Autofluoresence,593,9568661,CN(C)/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1
-Autofluoresence,593,9595220,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
-Autofluoresence,593,9601281,COc1[nH]c(/N=C/c2ccccc2)c(C#N)c1C#N
-Autofluoresence,593,11972609,CC(=O)[C@@H]1[C@H]2[C@@H](C(=O)[C@H]3OC[C@H]2O3)[C@@H]2C=Cc3ccccc3N12
-Autofluoresence,593,22299137,C=CCn1c(/N=C/c2ccc(N(C)C)cc2)nc2ccccc21
-Autofluoresence,593,54677784,COc1cc(O)c2c(O)c3c(c4c2c1[C@@]1(C4)C(C)=CCCC1(C)C)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)=C(O)[C@]1(O)C3=O
-Autofluoresence,593,54718136,CN(C)c1ccc(/C=C/C(O)=C2/C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1
-Autofluoresence,593,135398579,C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
-Autofluoresence,593,135399314,NC(=O)c1cc2ccc(O)cc2oc1=NCc1ccccc1
-Autofluoresence,593,135408622,C/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1O
-Autofluoresence,593,135415375,Cc1nc2ccc(Cl)cc2nc(C)/c1=N\O
-Autofluoresence,593,135415385,O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1
-Autofluoresence,593,135415458,Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C
-Autofluoresence,593,135415535,O=c1c2ccccc2c(/C=N/n2cnnc2)c(O)n1-c1ccccc1F
-Autofluoresence,593,135419190,CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1O
-Autofluoresence,593,135420886,CCOC(=O)c1c(C)oc2c1c(/C=N/c1ccccn1)c(O)c1ccccc12
-Autofluoresence,593,135426866,Oc1ccc2cccnc2c1
-Autofluoresence,593,135435935,Cc1cc(=O)[nH]c(SCCOc2ccc(OC(C)C)cc2)n1
-Autofluoresence,593,135449511,COc1ccc(N=c2oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1
-Autofluoresence,593,135449555,CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O
-Autofluoresence,593,135449558,O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1
-Autofluoresence,593,135450624,COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\O
-Autofluoresence,593,135463169,Cc1cccc(N=c2oc3cc(O)ccc3cc2C(N)=O)c1

CHAFF_individual_AIDs/pubchem_aid_594_active_curated.csv

@@ -1,27 +0,0 @@
-Type,AID,CID,SMILES
-Autofluoresence,594,13399,Nc1n[nH]c2ccccc12
-Autofluoresence,594,72685,CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)C1=Nc1c(C)cc(O)cc1O
-Autofluoresence,594,151582,CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
-Autofluoresence,594,274104,O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21
-Autofluoresence,594,278672,O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21
-Autofluoresence,594,428781,CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
-Autofluoresence,594,650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
-Autofluoresence,594,652631,COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
-Autofluoresence,594,656056,O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1
-Autofluoresence,594,659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
-Autofluoresence,594,659498,CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
-Autofluoresence,594,663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
-Autofluoresence,594,712714,CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
-Autofluoresence,594,870979,O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
-Autofluoresence,594,1247498,CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12
-Autofluoresence,594,1258835,COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
-Autofluoresence,594,2079240,Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
-Autofluoresence,594,2123860,CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
-Autofluoresence,594,2306089,CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21
-Autofluoresence,594,2377519,CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
-Autofluoresence,594,2906351,CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O
-Autofluoresence,594,2999671,CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
-Autofluoresence,594,3098234,CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
-Autofluoresence,594,6604373,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,594,6604382,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
-Autofluoresence,594,9595220,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1

CHAFF_individual_AIDs/pubchem_aid_602357_active_curated.csv

@@ -1,105 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602357,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602357,68482,O=C(Nc1ccccc1C(=O)O)c1ccccc1
-Luciferase Inhibition,602357,95746,Oc1ccc(-c2nc3ccccc3s2)c(O)c1
-Luciferase Inhibition,602357,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602357,233874,CC(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602357,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602357,584682,COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1
-Luciferase Inhibition,602357,590977,CCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602357,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,602357,667680,Nc1ccccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602357,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602357,705160,COc1ccc2nc(NC(=O)c3ccccc3C(=O)O)sc2c1
-Luciferase Inhibition,602357,718830,CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
-Luciferase Inhibition,602357,726461,NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,602357,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602357,736985,COc1cc(OC)cc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602357,739214,CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
-Luciferase Inhibition,602357,739344,COc1ccc2nc(NC(=O)c3cccs3)sc2c1
-Luciferase Inhibition,602357,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602357,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602357,762556,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1
-Luciferase Inhibition,602357,777056,Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602357,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602357,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602357,837302,CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602357,839457,CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
-Luciferase Inhibition,602357,839503,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
-Luciferase Inhibition,602357,846054,CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602357,846055,CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602357,849083,CCCC(=O)Nc1nc2ccc(OCC)cc2s1
-Luciferase Inhibition,602357,849590,CCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
-Luciferase Inhibition,602357,851383,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602357,851384,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602357,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602357,869636,CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602357,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602357,890028,COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1
-Luciferase Inhibition,602357,952238,COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
-Luciferase Inhibition,602357,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602357,1017695,Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602357,1017701,Cc1ccc2sc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1
-Luciferase Inhibition,602357,1017702,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl
-Luciferase Inhibition,602357,1026135,COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1OC
-Luciferase Inhibition,602357,1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
-Luciferase Inhibition,602357,1081904,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1
-Luciferase Inhibition,602357,1141319,Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602357,1144103,O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
-Luciferase Inhibition,602357,1215342,O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1
-Luciferase Inhibition,602357,1238746,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
-Luciferase Inhibition,602357,1240016,O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
-Luciferase Inhibition,602357,1250078,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602357,1251694,O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
-Luciferase Inhibition,602357,1255353,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccc(Br)o2)c1
-Luciferase Inhibition,602357,1295307,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1
-Luciferase Inhibition,602357,1295391,Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1
-Luciferase Inhibition,602357,1295868,CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)O)cc1Cl
-Luciferase Inhibition,602357,1298782,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1
-Luciferase Inhibition,602357,1310240,COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602357,1314410,O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602357,1316696,Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1
-Luciferase Inhibition,602357,1319561,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Cl)c1
-Luciferase Inhibition,602357,1320485,CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602357,1321657,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
-Luciferase Inhibition,602357,1332683,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1
-Luciferase Inhibition,602357,1333017,O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCCC2)c1
-Luciferase Inhibition,602357,1355806,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1
-Luciferase Inhibition,602357,1358145,O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
-Luciferase Inhibition,602357,1369324,O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
-Luciferase Inhibition,602357,1369701,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Br)c1
-Luciferase Inhibition,602357,1776642,COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1
-Luciferase Inhibition,602357,1777771,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602357,1830288,CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602357,2082407,COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602357,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,602357,2194279,Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602357,2264828,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602357,2327258,O=C(O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1
-Luciferase Inhibition,602357,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,602357,2425146,COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1
-Luciferase Inhibition,602357,2973251,O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
-Luciferase Inhibition,602357,2976669,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCO2)cc1
-Luciferase Inhibition,602357,3119502,O=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1
-Luciferase Inhibition,602357,3240217,Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,602357,3242230,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
-Luciferase Inhibition,602357,3361722,COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
-Luciferase Inhibition,602357,3505101,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1=COCCO1
-Luciferase Inhibition,602357,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602357,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602357,4600128,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccco2)c1
-Luciferase Inhibition,602357,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,602357,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602357,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602357,9454704,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2
-Luciferase Inhibition,602357,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,602357,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,602357,12005496,COc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1
-Luciferase Inhibition,602357,16015808,Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602357,16015826,Cc1c(NS(C)(=O)=O)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602357,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602357,16033302,CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1
-Luciferase Inhibition,602357,17249905,CCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1
-Luciferase Inhibition,602357,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602357,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,602357,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1

CHAFF_individual_AIDs/pubchem_aid_602358_active_curated.csv

@@ -1,103 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602358,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602358,68482,O=C(Nc1ccccc1C(=O)O)c1ccccc1
-Luciferase Inhibition,602358,95746,Oc1ccc(-c2nc3ccccc3s2)c(O)c1
-Luciferase Inhibition,602358,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602358,233874,CC(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602358,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602358,584682,COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1
-Luciferase Inhibition,602358,590977,CCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,602358,667680,Nc1ccccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602358,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602358,705160,COc1ccc2nc(NC(=O)c3ccccc3C(=O)O)sc2c1
-Luciferase Inhibition,602358,718830,CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
-Luciferase Inhibition,602358,726461,NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,602358,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602358,736985,COc1cc(OC)cc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602358,739214,CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
-Luciferase Inhibition,602358,739344,COc1ccc2nc(NC(=O)c3cccs3)sc2c1
-Luciferase Inhibition,602358,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602358,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602358,762556,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1
-Luciferase Inhibition,602358,777056,Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602358,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602358,837302,CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602358,839457,CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
-Luciferase Inhibition,602358,839503,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
-Luciferase Inhibition,602358,846054,CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602358,846055,CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602358,849083,CCCC(=O)Nc1nc2ccc(OCC)cc2s1
-Luciferase Inhibition,602358,849590,CCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
-Luciferase Inhibition,602358,851383,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602358,869636,CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602358,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602358,890028,COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1
-Luciferase Inhibition,602358,905918,O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1
-Luciferase Inhibition,602358,952238,COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
-Luciferase Inhibition,602358,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602358,1017695,Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602358,1017701,Cc1ccc2sc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1
-Luciferase Inhibition,602358,1017702,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl
-Luciferase Inhibition,602358,1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
-Luciferase Inhibition,602358,1081904,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1
-Luciferase Inhibition,602358,1141319,Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602358,1144103,O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
-Luciferase Inhibition,602358,1215342,O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1
-Luciferase Inhibition,602358,1240016,O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
-Luciferase Inhibition,602358,1250078,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602358,1251694,O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
-Luciferase Inhibition,602358,1255353,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccc(Br)o2)c1
-Luciferase Inhibition,602358,1295307,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1
-Luciferase Inhibition,602358,1295391,Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1
-Luciferase Inhibition,602358,1295868,CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)O)cc1Cl
-Luciferase Inhibition,602358,1298782,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1
-Luciferase Inhibition,602358,1314410,O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,1316696,Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1
-Luciferase Inhibition,602358,1319561,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Cl)c1
-Luciferase Inhibition,602358,1319901,O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602358,1320485,CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602358,1321657,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
-Luciferase Inhibition,602358,1333017,O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCCC2)c1
-Luciferase Inhibition,602358,1355806,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1
-Luciferase Inhibition,602358,1358145,O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
-Luciferase Inhibition,602358,1364583,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1
-Luciferase Inhibition,602358,1369324,O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
-Luciferase Inhibition,602358,1369701,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Br)c1
-Luciferase Inhibition,602358,1777771,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,1830288,CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602358,2082407,COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602358,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,602358,2193203,COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602358,2194279,Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602358,2264828,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602358,2327258,O=C(O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1
-Luciferase Inhibition,602358,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,602358,2425146,COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1
-Luciferase Inhibition,602358,2973251,O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
-Luciferase Inhibition,602358,2976669,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCO2)cc1
-Luciferase Inhibition,602358,3240217,Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,602358,3361722,COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
-Luciferase Inhibition,602358,3505101,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1=COCCO1
-Luciferase Inhibition,602358,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602358,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602358,4600128,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccco2)c1
-Luciferase Inhibition,602358,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,602358,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602358,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602358,9454704,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2
-Luciferase Inhibition,602358,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,602358,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,602358,12005496,COc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2c1
-Luciferase Inhibition,602358,16014345,COc1ccc2nc(NC(=O)c3nc(S(=O)(=O)Cc4ccc(C)cc4)ncc3Cl)sc2c1
-Luciferase Inhibition,602358,16015808,Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602358,16015826,Cc1c(NS(C)(=O)=O)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602358,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602358,16033302,CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1
-Luciferase Inhibition,602358,16033330,Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1
-Luciferase Inhibition,602358,17249905,CCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1
-Luciferase Inhibition,602358,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602358,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,602358,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1

CHAFF_individual_AIDs/pubchem_aid_602364_active_curated.csv

@@ -1,90 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602364,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602364,95746,Oc1ccc(-c2nc3ccccc3s2)c(O)c1
-Luciferase Inhibition,602364,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602364,233874,CC(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602364,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602364,584682,COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1
-Luciferase Inhibition,602364,590977,CCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602364,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,602364,667680,Nc1ccccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602364,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602364,718830,CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
-Luciferase Inhibition,602364,726461,NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,602364,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602364,736985,COc1cc(OC)cc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602364,739344,COc1ccc2nc(NC(=O)c3cccs3)sc2c1
-Luciferase Inhibition,602364,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602364,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602364,762556,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1
-Luciferase Inhibition,602364,777056,Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602364,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602364,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602364,837302,CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602364,839457,CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
-Luciferase Inhibition,602364,839503,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
-Luciferase Inhibition,602364,846054,CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602364,846055,CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602364,849083,CCCC(=O)Nc1nc2ccc(OCC)cc2s1
-Luciferase Inhibition,602364,849590,CCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
-Luciferase Inhibition,602364,851383,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602364,851526,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1
-Luciferase Inhibition,602364,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602364,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602364,890028,COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1
-Luciferase Inhibition,602364,952238,COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
-Luciferase Inhibition,602364,969751,O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1
-Luciferase Inhibition,602364,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602364,1017695,Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602364,1017701,Cc1ccc2sc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1
-Luciferase Inhibition,602364,1017702,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl
-Luciferase Inhibition,602364,1070152,O=C(Nc1ccccc1C(=O)O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602364,1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
-Luciferase Inhibition,602364,1081904,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1
-Luciferase Inhibition,602364,1144103,O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
-Luciferase Inhibition,602364,1238746,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
-Luciferase Inhibition,602364,1240016,O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
-Luciferase Inhibition,602364,1250078,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602364,1251694,O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
-Luciferase Inhibition,602364,1255353,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccc(Br)o2)c1
-Luciferase Inhibition,602364,1295307,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCCC2)cc1
-Luciferase Inhibition,602364,1295868,CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)O)cc1Cl
-Luciferase Inhibition,602364,1310240,COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602364,1314410,O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602364,1316696,Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1
-Luciferase Inhibition,602364,1319561,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Cl)c1
-Luciferase Inhibition,602364,1332683,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1
-Luciferase Inhibition,602364,1333017,O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCCC2)c1
-Luciferase Inhibition,602364,1355806,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1
-Luciferase Inhibition,602364,1369701,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Br)c1
-Luciferase Inhibition,602364,1776642,COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1
-Luciferase Inhibition,602364,1777771,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602364,2082407,COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
-Luciferase Inhibition,602364,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,602364,2194279,Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602364,2264828,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602364,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,602364,2973251,O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
-Luciferase Inhibition,602364,2976669,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CCCO2)cc1
-Luciferase Inhibition,602364,3119502,O=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1
-Luciferase Inhibition,602364,3240217,Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,602364,3242230,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
-Luciferase Inhibition,602364,3361722,COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
-Luciferase Inhibition,602364,3505101,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1=COCCO1
-Luciferase Inhibition,602364,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602364,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602364,4600128,O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccco2)c1
-Luciferase Inhibition,602364,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,602364,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602364,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602364,9454704,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2
-Luciferase Inhibition,602364,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,602364,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,602364,16015808,Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602364,16015826,Cc1c(NS(C)(=O)=O)cccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602364,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602364,16033302,CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1
-Luciferase Inhibition,602364,16033356,COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1
-Luciferase Inhibition,602364,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602364,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,602364,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1

CHAFF_individual_AIDs/pubchem_aid_602474_active_curated.csv

@@ -1,54 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602474,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602474,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602474,233874,CC(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602474,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602474,590977,CCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602474,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,602474,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602474,718830,CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
-Luciferase Inhibition,602474,726461,NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
-Luciferase Inhibition,602474,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602474,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602474,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602474,762556,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1
-Luciferase Inhibition,602474,777056,Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602474,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602474,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602474,839457,CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
-Luciferase Inhibition,602474,839503,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
-Luciferase Inhibition,602474,846055,CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
-Luciferase Inhibition,602474,849083,CCCC(=O)Nc1nc2ccc(OCC)cc2s1
-Luciferase Inhibition,602474,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602474,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602474,952238,COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
-Luciferase Inhibition,602474,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602474,1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
-Luciferase Inhibition,602474,1081904,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1
-Luciferase Inhibition,602474,1250078,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602474,1251694,O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
-Luciferase Inhibition,602474,1316696,Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1
-Luciferase Inhibition,602474,1355806,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1
-Luciferase Inhibition,602474,1777771,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602474,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,602474,2232815,O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Br)o1
-Luciferase Inhibition,602474,2264828,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602474,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,602474,2973251,O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
-Luciferase Inhibition,602474,3240217,Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,602474,3361722,COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
-Luciferase Inhibition,602474,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602474,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602474,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,602474,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602474,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602474,9454704,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2
-Luciferase Inhibition,602474,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,602474,9653469,Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21
-Luciferase Inhibition,602474,15991384,COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1
-Luciferase Inhibition,602474,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602474,16033334,COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)c1
-Luciferase Inhibition,602474,17249905,CCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1
-Luciferase Inhibition,602474,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602474,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,602474,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1

CHAFF_individual_AIDs/pubchem_aid_602475_active_curated.csv

@@ -1,37 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602475,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602475,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602475,233874,CC(C)c1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602475,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602475,590977,CCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
-Luciferase Inhibition,602475,651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
-Luciferase Inhibition,602475,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602475,718830,CCOc1ccc2nc(NC(=O)c3ccccc3)sc2c1
-Luciferase Inhibition,602475,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602475,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602475,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602475,762556,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1
-Luciferase Inhibition,602475,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602475,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602475,839503,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
-Luciferase Inhibition,602475,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602475,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602475,952238,COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
-Luciferase Inhibition,602475,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602475,1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
-Luciferase Inhibition,602475,2089261,CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
-Luciferase Inhibition,602475,2232815,O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Br)o1
-Luciferase Inhibition,602475,2347892,CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21
-Luciferase Inhibition,602475,3241885,COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1
-Luciferase Inhibition,602475,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602475,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602475,4608040,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1=COCCO1
-Luciferase Inhibition,602475,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602475,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602475,9454704,O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2
-Luciferase Inhibition,602475,9586790,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)c(Cl)c1
-Luciferase Inhibition,602475,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602475,16033356,COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1
-Luciferase Inhibition,602475,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602475,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
-Luciferase Inhibition,602475,135510994,COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1

CHAFF_individual_AIDs/pubchem_aid_602476_active_curated.csv

@@ -1,32 +0,0 @@
-Type,AID,CID,SMILES
-Luciferase Inhibition,602476,7087,Cc1ccc2nc(-c3ccc(N)cc3)sc2c1
-Luciferase Inhibition,602476,95746,Oc1ccc(-c2nc3ccccc3s2)c(O)c1
-Luciferase Inhibition,602476,95753,COc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602476,459117,Nc1ccc2nc(-c3ccccc3)sc2c1
-Luciferase Inhibition,602476,667680,Nc1ccccc1-c1nc2ccccc2s1
-Luciferase Inhibition,602476,670717,COc1ccc2nc(NC(=O)c3ccco3)sc2c1
-Luciferase Inhibition,602476,735216,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
-Luciferase Inhibition,602476,754924,Nc1ccc(-c2nc3cc(N)ccc3s2)cc1
-Luciferase Inhibition,602476,759407,Nc1ccc(-c2nc3ccc(N)cc3s2)cc1
-Luciferase Inhibition,602476,781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
-Luciferase Inhibition,602476,833673,COc1cccc(-c2nc3ccccc3s2)c1
-Luciferase Inhibition,602476,849083,CCCC(=O)Nc1nc2ccc(OCC)cc2s1
-Luciferase Inhibition,602476,849590,CCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
-Luciferase Inhibition,602476,862121,COc1ccc2nc(NC(=O)c3cnccn3)sc2c1
-Luciferase Inhibition,602476,887167,CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
-Luciferase Inhibition,602476,890028,COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1
-Luciferase Inhibition,602476,976322,COc1ccc(-c2nc3ccccc3s2)cc1O
-Luciferase Inhibition,602476,1250078,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCC1
-Luciferase Inhibition,602476,1251694,O=C(O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
-Luciferase Inhibition,602476,1316696,Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1
-Luciferase Inhibition,602476,1355806,Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1
-Luciferase Inhibition,602476,2232815,O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Br)o1
-Luciferase Inhibition,602476,2264828,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
-Luciferase Inhibition,602476,3240217,Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
-Luciferase Inhibition,602476,3665766,Nc1ccc(-c2nc3ccc(C(=O)O)cc3s2)cc1
-Luciferase Inhibition,602476,4568697,Cc1ccc2sc(-c3ccc(N)cc3)nc2c1
-Luciferase Inhibition,602476,5344820,Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1
-Luciferase Inhibition,602476,8030390,Cc1c(C)c2ccc(OCC(=O)Nc3ccccn3)c(C)c2oc1=O
-Luciferase Inhibition,602476,16015828,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1
-Luciferase Inhibition,602476,53206458,C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1
-Luciferase Inhibition,602476,135439852,CN=c1scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1