ID
stringlengths 7
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stringlengths 1
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|---|---|
CHEMBL4899096 | CN(c1nc2c(c(N3CCOCC3)n1)CN(C(=O)Cc1ccccc1)CC2)C1CCCCC1 |
CHEMBL588606 | Cc1cccc2nc(-c3cccc(-c4ccc(CNCCNC(=O)c5ccnn5C)cc4)c3)[nH]c12 |
CHEMBL2145296 | CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 |
CHEMBL2376366 | CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3ncccc3=O)c2)CC1 |
CHEMBL4208646 | COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 |
CHEMBL3456938 | Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCCO3)cc1C(=O)O |
CHEMBL1365549 | COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 |
CHEMBL3823070 | O=C(O)c1ccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cn1 |
CHEMBL3585620 | O=c1cc(N2CCOCC2)nc2c(NS(=O)(=O)c3ccccc3)cccn12 |
CHEMBL363491 | O=C1Nc2ccc(Br)cc2/C1=C/C(=O)c1ccccc1 |
CHEMBL4460809 | C=CC(=O)N1CCN(c2nnc(-c3ccccc3C(C)C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1 |
CHEMBL4552087 | N#CC1(c2ccccc2)CCN(C(=O)c2cnn(-c3nc4ccsc4c(=O)[nH]3)c2)CC1 |
CHEMBL4935062 | CCOC(CN1CC(C)(C)C1(C)C)OCC |
CHEMBL2114035 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O |
CHEMBL2359152 | CCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)cccc2C)c1C |
CHEMBL1360771 | Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)OCO2 |
CHEMBL537693 | Cl.O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 |
CHEMBL362760 | CC(C)Cc1ccc(C(C)(CCCCC(=O)CCCCC(C)(C(=O)O)c2ccc(CC(C)C)cc2)C(=O)O)cc1 |
CHEMBL3545991 | OC(CNCc1nc2ccccc2[nH]1)COc1ccc(Cl)cc1Cl |
CHEMBL3185993 | Fc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)cc1 |
CHEMBL1455768 | COC(CNC(=O)c1cccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)c1)OC |
CHEMBL3500889 | Cc1occc1C(=O)N1CCCC2(CCN(CCN3CCCC3)C2=O)C1.O=C(O)C(F)(F)F |
CHEMBL4967024 | CC(C)[C@H](N)c1nc(Cn2cnc3ccccc32)no1 |
CHEMBL3663457 | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1 |
CHEMBL3402762 | CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1 |
CHEMBL4789500 | COc1ccc2c(/C=C/[Se](=O)(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1 |
CHEMBL1343029 | O=c1c2ccccc2nc2c3ccccc3ncn12 |
CHEMBL3038253 | COC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@H](COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3c(O)c4ccccc4nc23)O[C@@H](OCc2ccccc2)[C@H]1NC(C)=O)C(C)C |
CHEMBL558053 | C[C@@H]1C[C@H]2O[C@@H]2[C@H](Sc2ccccc2)CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |
CHEMBL2426189 | O=C(Nc1ccccc1)Nc1nnc(-c2ccncc2)s1 |
CHEMBL4176418 | COc1ccc(/C=C/C(=O)c2ccc(OCCCOc3cc(Cl)ccc3Oc3ccc(Cl)cc3Cl)cc2)cc1OC |
CHEMBL2137037 | CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 |
CHEMBL3618514 | C[C@H](NCCC(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 |
CHEMBL5012110 | Cc1ccc(C)c(NS(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CCC4)o3)c2C)c1 |
CHEMBL425637 | COC(=O)CCCCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
CHEMBL5095930 | O=C(NO)c1cnc(N2CCC3(CN(Cc4cccnc4)C3)C2)nc1 |
CHEMBL478019 | CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O |
CHEMBL4064879 | Cc1nnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nccn12 |
CHEMBL1554292 | O=C(NCCc1ccc(F)cc1)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1 |
CHEMBL4776805 | O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N/N=C/c1ccc(O)cc1 |
CHEMBL1367136 | CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nccn2C)ccc1Cl |
CHEMBL242856 | NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(Cl)ccc1-2 |
CHEMBL3633700 | CCCCNC(=O)C1=Cc2cc(Br)ccc2S1(=O)=O |
CHEMBL3923568 | O=C(N1CCNCC1)n1sc2c(ccc[n+]2[O-])c1=O |
CHEMBL4560273 | C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(C(=O)c4ccncc4)CC3)cc2)O1 |
CHEMBL2142711 | CCN(CC)CCOc1nnc(-c2ccc(OC)cc2)c2ccccc12 |
CHEMBL1406092 | Cc1c(N=C(S)N=Nc2c(O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C |
CHEMBL4740446 | COc1cc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc(OC)c1OC |
CHEMBL1701897 | COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(OC)c1OC |
CHEMBL1852602 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Br |
CHEMBL1445117 | CCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O |
CHEMBL5179311 | O=C1Nc2ccc(NC(=O)c3ccccc3)cc2C1=Cc1ccc([N+](=O)[O-])cc1 |
CHEMBL2009390 | O=c1c2ccccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1O |
CHEMBL3125891 | CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3C#N)c2)c1 |
CHEMBL2140870 | Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 |
CHEMBL1916160 | CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccn3)CN2)C1=O |
CHEMBL3446376 | O=C(COCc1nc(-c2ccncc2)no1)N1CCCC1 |
CHEMBL4557069 | CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)c(C(F)(F)F)c2)C1=O |
CHEMBL4295007 | Cc1ccc2oc(-c3ccc(OCCCCc4cn(CCOCCOc5cccc(-c6oc7ccccc7c(=O)c6OCc6ccccc6)c5)nn4)cc3)cc(=O)c2c1 |
CHEMBL508686 | CC(=O)O[C@@H]1C[C@H]2[C@@H]([C@H](O)C=C3C[C@@H](O)CC[C@@]32CO)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C |
CHEMBL4573618 | N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)cc1 |
CHEMBL2009803 | OCCN(C1=NCCN1)/[N+](=C\c1ccccn1)[CH-]c1ccccn1 |
CHEMBL229480 | Cc1cccc(S(=O)(=O)N2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)c1 |
CHEMBL3644798 | N[C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)C1O |
CHEMBL553782 | CN(C(=O)c1ccc(Br)cc1Cl)[C@H]1CCCC[C@@]12CCCN2C.Cl |
CHEMBL1762579 | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(-c4ccc(Cl)cc4)ccc3nc2-1 |
CHEMBL259197 | COc1c(N2CCc3ccccc3C2C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 |
CHEMBL1451997 | COc1cccc(CN(C)C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1 |
CHEMBL4570013 | O=c1cnc2cc(Cl)c(Cl)cc2n1CCO |
CHEMBL4754552 | Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccccc2)cc1 |
CHEMBL1957469 | COc1ccc(C2(c3cccc(-c4cc(Cl)cc(Cl)c4)c3)N=C(N)N3CCCN=C32)cc1 |
CHEMBL3986187 | O=C(Nc1ccccc1-n1cccc1)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
CHEMBL4950813 | CCc1cc(NC(=O)NC[C@H]2C[C@@H]2C(F)(F)F)no1 |
CHEMBL1463089 | O=C(c1ccccc1)N(Cc1cccc(Br)c1)C1CCS(=O)(=O)C1 |
CHEMBL3817874 | CN(C)c1ncnc2c1CCN(/C=C/C(=O)c1ccccc1O)C2 |
CHEMBL4113869 | Cc1cc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)on1 |
CHEMBL1577463 | O=Cc1cnc(N2CCCCC2)s1 |
CHEMBL2062994 | COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4=O)C31CC=C(C(C)C)OC1 |
CHEMBL1969150 | O=c1ccn(C2OC(CN(O)CCC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1 |
CHEMBL573365 | CCc1cn2c(=O)c3ncn([C@H]4CO[C@@H](CO)O4)c3nc2[nH]1 |
CHEMBL4994833 | COc1nc(CNC(=O)[C@H](C)n2cccn2)nc(N2CCOCC2)n1 |
CHEMBL58369 | Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1C |
CHEMBL375493 | CC1(c2csc(Br)c2)OC(C(=O)O)=CC1=O |
CHEMBL266185 | CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)CCO/N=C/c2ccc(O)c(C(=O)NCNC3CC(O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)c2)cc1)c1ccccc1 |
CHEMBL2031274 | CCOc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OCC)c1OCC |
CHEMBL4449881 | COC[C@@H]1NC(=O)c2sc(C)nc2OCCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O |
CHEMBL3094423 | CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(OC)cc3)cs2)n1)C(=O)O |
CHEMBL525340 | COc1ccc(CNC2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)cc1.O=C(O)C(F)(F)F |
CHEMBL2204525 | CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 |
CHEMBL3126032 | COc1ccc(CN2C(=O)CCC2c2cccnc2)cc1 |
CHEMBL4553994 | O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3ccccc23)CC1 |
CHEMBL1860854 | C=CCN(Cc1coc(-c2ccccc2OCC)n1)C1CCCC1 |
CHEMBL3214336 | O=C(NC1C/C=C\C(c2ccccc2)N(c2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 |
CHEMBL3897392 | Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccoc1 |
CHEMBL1578208 | Cc1noc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(F)cc3)cc2)c1C |
CHEMBL4948448 | CC(C)[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H]1C(=O)O |
CHEMBL4300802 | CCCCCCCC[N+](C)(C)CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2F)cc1 |
CHEMBL1739126 | NCC[C@H]1CNC(Nc2cccnc2)=N1 |
CHEMBL4858290 | Oc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCC4)cc3)nc12 |
CHEMBL5010548 | CCN1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccccc2C)CC1 |