SMILES for Interleukin-1 receptor-associated kinase 1

413 SMILES Strings for Interleukin-1 receptor-associated kinase 1

Compound Name	SMILES String
BDBM2579	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 \|r\|
BDBM4552	COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779	Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851	Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445	CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655	CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl \|r\|
BDBM5931	CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568	CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 \|(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)\|
BDBM12621	COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336	CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216	Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13533	Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534	CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535	COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138	Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 \|r\|
BDBM15244	Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 \|(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)\|
BDBM16673	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055	CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 \|r,t:10\|
BDBM21079	Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628	OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654	Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773	CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084	Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117	CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118	CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013	CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N \|r\|
BDBM25028	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045	Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817	CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474	CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300	CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919	Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31085	CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088	Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31095	Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409	CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM86632	CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
BDBM25121	CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O \|r\|
BDBM50128285	Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 \|t:4\|
BDBM50132260	Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM206112	NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM50161957	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807	C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50184695	CCOC(=O)Cn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184706	[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
BDBM50193995	C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N \|r\|
BDBM50224883	Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50237710	Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737	Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 \|r\|
BDBM50306682	C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl \|r\|
BDBM50308060	C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 \|r\|
BDBM50300690	CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910	COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 \|r\|
BDBM50326053	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 \|r\|
BDBM50326054	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 \|r\|
BDBM50331096	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50331612	COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
BDBM50332294	Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50357884	[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl \|(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)\|
BDBM50347750	O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 \|w:13.15,c:11\|
BDBM50359359	CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50355494	COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496	O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499	CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 \|t:31\|
BDBM50355500	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F \|r\|
BDBM50355501	N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 \|r\|
BDBM50355504	COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 \|c:26,t:21\|
BDBM50373415	COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1
BDBM50377168	N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377169	COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377170	Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377179	Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 \|w:14.13\|
BDBM50377180	Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 \|w:14.13\|
BDBM50377181	Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
BDBM50392982	COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50396243	CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 \|r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)\|
BDBM50396263	CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 \|r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)\|
BDBM31093	OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 \|c:13\|
BDBM50401152	CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50429867	Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM139540	CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 \|r\|
BDBM50040728	NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM50040734	CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
BDBM50040744	OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
BDBM185149	CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
BDBM60665	COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612	COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50076185	N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 \|r\|
BDBM50040727	COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCN
BDBM50040732	O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM50040733	Oc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
BDBM50040874	Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
BDBM164883	COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 \|r\|
BDBM164884	COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
BDBM60589	Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50110178	CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
BDBM50102675	COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102676	COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
BDBM50102677	COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
BDBM50102678	CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
BDBM50102661	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
BDBM50102662	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
BDBM50102663	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
BDBM50102664	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
BDBM50102665	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
BDBM50102667	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
BDBM50102668	COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102669	Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102670	COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102671	COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
BDBM50102672	COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102674	O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
BDBM50135286	Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50102673	COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM206168	O[C@H]1CC[C@@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 \|r,wU:4.7,wD:1.0,(5.15,-5.95,;4.06,-4.86,;4.46,-3.37,;3.37,-2.28,;1.89,-2.68,;1.49,-4.17,;2.58,-5.26,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)\|
BDBM206180	Clc1ccc(OC2CCNCC2)c(NC(=O)c2csc3cccnc23)c1
BDBM50102666	COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
BDBM206090	NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
BDBM206092	NCC1CCN(CC1)c1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
BDBM206093	CC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206094	O[C@H]1CC[C@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 \|r,wD:4.7,1.0,(5.33,-3.84,;4,-3.07,;4,-1.53,;2.67,-.76,;1.33,-1.53,;1.33,-3.07,;2.67,-3.84,;,-.76,;-1.33,-1.53,;-1.33,-3.07,;-2.67,-3.84,;-2.67,-5.38,;-4,-6.15,;-5.33,-5.38,;-5.33,-3.84,;-4,-3.07,;-4,-1.53,;-2.67,-.76,;-2.67,.78,;-3.76,1.87,;-5.24,1.47,;-3.36,3.36,;-4.26,4.61,;-3.36,5.85,;-1.89,5.38,;-.56,6.15,;.77,5.38,;.77,3.84,;-.56,3.07,;-1.89,3.84,)\|
BDBM206096	COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206097	COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12
BDBM206098	COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
BDBM206099	O[C@H]1CC[C@@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 \|r,wU:4.7,wD:1.0,(5.35,-5.95,;4.26,-4.86,;4.66,-3.37,;3.57,-2.28,;2.09,-2.68,;1.69,-4.17,;2.78,-5.26,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)\|
BDBM206101	NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206102	O[C@@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 \|r\|
BDBM206103	OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206105	OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12 \|(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;3.39,5.95,;2.06,3.64,;.73,2.87,;-.61,3.64,)\|
BDBM206106	OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 \|(5.35,-5.99,;4.26,-4.9,;2.78,-5.3,;1.69,-4.21,;2.09,-2.73,;3.57,-2.33,;4.66,-3.42,;1,-1.64,;-.49,-2.04,;-.89,-3.52,;-2.38,-3.92,;-2.78,-5.41,;-4.26,-5.81,;-5.35,-4.72,;-4.95,-3.23,;-3.47,-2.83,;-3.07,-1.35,;-1.58,-.95,;-1.18,.54,;-1.95,1.87,;-3.49,1.87,;-1.18,3.21,;-2.09,4.45,;-1.18,5.7,;.28,5.22,;1.62,5.99,;2.95,5.22,;2.95,3.68,;1.62,2.91,;.28,3.68,)\|
BDBM206107	Oc1cnc2c(cnn2n1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1
BDBM206108	CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206111	COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
BDBM206120	COc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
BDBM206122	CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206124	CN(C)CC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206130	COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
BDBM206131	CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206134	COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12
BDBM206136	OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206138	NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206140	COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
BDBM206142	OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12 \|(5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.67,-.77,;4,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-2.67,5.39,;-1.33,6.16,;,5.39,;,3.85,;-1.33,3.08,;-2.67,3.85,)\|
BDBM206149	O[C@H]1CC[C@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 \|r,wU:4.7,1.0,(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)\|
BDBM206151	NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM50096279	CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
BDBM50208911	CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 \|r\|
BDBM50210177	C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 \|t:29\|
BDBM187120	COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
BDBM286262	Cc1cc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)nc1-c1cccnc1
BDBM286268	CN(C)Cc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
BDBM286276	Cc1ccncc1-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
BDBM286306	Cc1cc(cnn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
BDBM286321	COc1cc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2cc1OC
BDBM286325	COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
BDBM271361	O=C1Nc2nc3ccccc3n2Cc2cc(ccn2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM271362	OC1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc1c4)c3)nc1ccccc21
BDBM271363	OC1CCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3C1)n2
BDBM271364	COc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
BDBM271366	OC(=O)c1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271367	COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4
BDBM271368	NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM286326	OCc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
BDBM271369	CC1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
BDBM271370	CC(=O)NCCc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271371	Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCn3cc(cn3)-c1n2
BDBM271372	O=C1Nc2nc3cc(CN4CCOCC4)ccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM271373	Cc1nn2CCn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2C)c4)nc1ccccc31
BDBM271374	COc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271375	Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CC(O)CCOc1n2
BDBM271376	Oc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271377	O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@@H]1C4)c3)nc1ccccc21 \|r\|
BDBM271378	O[C@H]1Cn2c(NC(=O)c3cccc(Cn4nc(ccc4=O)N4CCC[C@H]1C4)c3)nc1ccccc21 \|r\|
BDBM271379	COc1ccc2n3CCn4cc(cn4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271380	O=C1Nc2nc3ccccc3n2C\C=C/COc2ccc(=O)n(Cc3cccc1c3)n2 \|c:15\|
BDBM271381	COc1ccc2n3CC(O)CCOc4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271382	CC[C@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2 \|r\|
BDBM271383	CC[C@@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2 \|r\|
BDBM271384	COc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
BDBM271385	Oc1ccc-2cc1CCn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
BDBM271345	O=C1Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM271346	O=C1Nc2nc3ccccc3n2CCc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM286212	CC(C)(C)C(=O)Oc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
BDBM286217	O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cccnc2)c1
BDBM271347	CN(C)C(=O)Cc1ccc2n3Cc4cccc(c4)-c4ccc(=O)n(Cc5cccc(c5)C(=O)Nc3nc2c1)n4
BDBM271348	Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3Cc3cccc(c3)-c1n2
BDBM271349	CN(C)C(=O)Cc1ccc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2c1)c5)c4
BDBM271350	COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1OC)c5)c4
BDBM271351	Fc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cccc(Cn3c2cc1F)c5)c4
BDBM286238	OCc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
BDBM286247	CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
BDBM286250	O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cncnc2)c1
BDBM286259	Nc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
BDBM271353	Cc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
BDBM271354	O=C1Nc2nc3ccccc3n2CCOc2cccc(c2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM271355	Fc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
BDBM271356	Cc1cc(=O)n2Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3CCc3cccc(c3)-c1n2
BDBM271357	Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
BDBM271358	Clc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
BDBM271360	COc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
BDBM588178	O=C(CCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)n(n1)-c1ccccn1
BDBM50239229	C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
BDBM50242512	Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
BDBM357013	Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
BDBM50246763	C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCOCC3)c12 \|r,wU:15.15,18.22,(7.34,-17.59,;7.82,-19.04,;6.81,-20.19,;5.29,-19.88,;4.81,-18.42,;5.84,-17.27,;7.29,-21.65,;6.39,-22.91,;7.31,-24.15,;8.77,-23.67,;10.11,-24.44,;11.44,-23.67,;11.44,-22.12,;10.1,-21.36,;10.1,-19.82,;11.43,-19.05,;11.42,-17.51,;12.76,-16.74,;14.1,-17.51,;14.09,-19.05,;12.76,-19.81,;15.43,-16.75,;16.75,-17.52,;18.08,-16.76,;18.1,-15.22,;16.77,-14.45,;15.43,-15.21,;8.77,-22.12,)\|
BDBM50246769	C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 \|r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)\|
BDBM538618	COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
BDBM538619	COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
BDBM538621	Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
BDBM395296	CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
BDBM50463479	CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
BDBM50463483	O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
BDBM50462709	O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50462710	O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50466824	CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 \|r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)\|
BDBM50466825	CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 \|r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)\|
BDBM50499634	OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
BDBM50499194	OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 \|r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)\|
BDBM50499196	CC(C)(C)C(=O)Oc1ccc2n(c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1)-c1ccc(CCCO)cc1
BDBM50499197	OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12
BDBM50499198	FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
BDBM50499199	O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 \|r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)\|
BDBM50499105	CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1
BDBM50500350	CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1
BDBM50499203	OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 \|r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)\|
BDBM50499204	[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1
BDBM50514929	OCC1CCN(CC1)c1cc2nc(sc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
BDBM50514930	CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1
BDBM50515375	COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O \|r\|
BDBM50515376	COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c2cc1C(N)=O \|r\|
BDBM50515378	CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCOCCOCCOCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O \|r\|
BDBM50505541	[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 \|r,c:24,26,t:21\|
BDBM50505542	[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F \|r,c:63,65,t:60\|
BDBM50505741	COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N \|r,wU:13.17,wD:10.10,(55.44,-8.62,;55.46,-7.09,;54.13,-6.3,;54.15,-4.76,;52.79,-7.06,;52.77,-8.6,;51.44,-9.36,;50.12,-8.58,;50.12,-7.04,;51.46,-6.28,;48.78,-9.33,;47.44,-8.56,;46.1,-9.32,;46.11,-10.85,;47.43,-11.64,;48.77,-10.87,;44.77,-11.63,;44.77,-13.17,;46.1,-13.94,;46.1,-15.48,;44.77,-16.25,;43.44,-15.48,;42.12,-16.26,;40.78,-15.51,;40.76,-13.96,;42.09,-13.18,;43.43,-13.94,;39.43,-13.22,;38.09,-12.47,)\|
BDBM50505743	COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 \|r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)\|
BDBM50514922	O=C(Nc1cc2cnc(nc2cc1N1CCCCC1)N1CCOCC1)c1cnn2cccnc12
BDBM50514923	CN(C)c1ccc2cc(NC(=O)c3cnn4cccnc34)c(cc2n1)N1CCCCC1
BDBM50514925	O=C(Nc1cc2ccc(nc2cc1N1CCCCC1)N1CCOCC1)c1cnn2cccnc12
BDBM50514927	OCC1CCN(CC1)c1cc2nc([nH]c2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
BDBM50514928	CCn1c(nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc12)N1CCOCC1
BDBM50514940	OCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
BDBM50514941	OCC1CCN(CC1)c1cc2nc(oc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
BDBM50515377	COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O \|r\|
BDBM50515374	COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(Br)c2cc1C(N)=O \|r\|
BDBM50514924	O=C(Nc1cc2sc(nc2cc1N1CCOCC1)N1CCOCC1)c1cnn2cccnc12
BDBM50514926	OCC1CCN(CC1)c1cc2nc[nH]c2cc1NC(=O)c1cnn2cccnc12
BDBM50514942	Cn1c(nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc12)N1CCOCC1
BDBM50515373	CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCCCCCCCCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O \|r\|
BDBM50519662	CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50536675	FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678	Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679	Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N \|r\|
BDBM50536681	Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F \|r\|
BDBM50579719	COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCN(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)CC1 \|r\|
BDBM50579720	COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C \|r\|
BDBM50537742	C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 \|r\|
BDBM482158	COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50550246	CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc12
BDBM50549241	COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(nc12)C1CCN(C)CC1
BDBM50549242	COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
BDBM50549243	CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
BDBM50560885	CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 \|r,wD:12.11,15.18,(24.5,-24.9,;23.3,-25.19,;22.45,-24.29,;22.86,-26.66,;23.79,-27.88,;22.93,-29.15,;21.45,-28.71,;20.14,-29.51,;18.78,-28.78,;18.74,-27.25,;20.05,-26.44,;20.01,-24.9,;18.66,-24.17,;18.61,-22.63,;17.26,-21.89,;15.95,-22.7,;16,-24.25,;17.35,-24.98,;14.6,-21.97,;13.28,-22.79,;11.93,-22.05,;11.88,-20.51,;13.2,-19.71,;14.55,-20.44,;10.53,-19.78,;9.48,-20.42,;10.5,-18.55,;21.41,-27.17,)\|
BDBM50560886	CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 \|r,wU:12.11,15.18,(8.76,-23.76,;9.96,-24.05,;10.81,-23.15,;10.4,-25.52,;9.47,-26.74,;10.33,-28.01,;11.81,-27.58,;13.12,-28.38,;14.48,-27.64,;14.52,-26.11,;13.2,-25.3,;13.24,-23.77,;14.6,-23.03,;14.65,-21.49,;16,-20.76,;17.31,-21.57,;17.26,-23.11,;15.91,-23.84,;18.66,-20.83,;19.98,-21.65,;21.33,-20.92,;21.38,-19.38,;20.06,-18.57,;18.71,-19.3,;22.73,-18.64,;23.77,-19.29,;22.76,-17.41,;11.85,-26.04,)\|
BDBM50560887	CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 \|r,wU:12.11,15.18,(9.52,-11.75,;9.89,-12.93,;11.08,-13.21,;8.83,-14.06,;7.31,-13.87,;6.65,-15.27,;7.78,-16.32,;7.76,-17.86,;9.08,-18.65,;10.42,-17.9,;10.45,-16.36,;11.8,-15.61,;13.12,-16.41,;14.47,-15.67,;15.79,-16.46,;15.76,-18.01,;14.41,-18.76,;13.09,-17.96,;17.08,-18.81,;17.05,-20.34,;18.37,-21.15,;19.71,-20.4,;19.75,-18.86,;18.42,-18.06,;21.04,-21.19,;21.01,-22.43,;22.39,-20.44,;23.71,-21.24,;25.06,-20.49,;25.08,-19.26,;26.38,-21.29,;27.72,-20.54,;29.05,-21.34,;29.02,-22.88,;30.34,-23.67,;30.31,-25.22,;31.62,-26.01,;31.58,-27.55,;30.24,-28.3,;28.92,-27.5,;28.96,-25.97,;30.2,-29.84,;28.85,-30.59,;28.81,-32.12,;30.14,-32.93,;30.41,-34.43,;29.56,-35.34,;31.94,-34.63,;32.69,-35.98,;34.22,-35.9,;35.06,-37.19,;34.35,-38.57,;35.03,-39.6,;32.82,-38.65,;31.98,-37.35,;30.75,-37.42,;32.6,-33.24,;33.81,-33.01,;31.48,-32.18,;31.52,-30.64,;27.67,-23.63,;26.35,-22.83,;9.13,-15.57,)\|
BDBM50560888	CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 \|r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)\|
BDBM50560889	CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)N(C)C6=O)C(=O)c5c4)CC3)c12 \|r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;46.84,-32.21,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)\|
BDBM50561821	C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
BDBM50561822	C=CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
BDBM50561823	C=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)c1
BDBM50561824	C=CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)c1
BDBM50561825	CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
BDBM50561826	CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
BDBM50561827	CC1NC(=O)NC1CCCCCC(=O)NCCOCCOCCOCCNC(=O)CCN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1
BDBM50563891	CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
BDBM538658	Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
BDBM50569979	COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 \|r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)\|
BDBM50579721	COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C \|r\|
BDBM50579722	COc1cc(ccc1NC(=O)c1cccc(n1)-c1ccn[nH]1)N1CCC(CC1)OCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C \|r\|
BDBM588179	O=C(CCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
BDBM588180	O=C(CCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
BDBM588181	CC(C)N1CCC(CC1)c1cc(NC(=O)c2cccc(c2)-c2ccn[nH]2)n(n1)-c1ccccn1
BDBM588182	C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(c2)-c2ccn[nH]2)cc1
BDBM588177	O=C(CCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)N1CCC(CC1)c1cnn(c1NC(=O)c1cccc(n1)-c1cc[nH]c1)-c1ccccn1
BDBM588090	COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O
BDBM588093	CC[C@H]1C(COc2cccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F \|r\|
BDBM588095	COc1nc2c(OCC3CC(F)(F)C(=O)N3)cccc2cc1C(N)=O
BDBM588097	CC[C@H]1C(COc2nccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F \|r\|
BDBM588089	COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O
BDBM50596830	CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50601440	COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
BDBM21	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM610463	CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM621075	CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621076	CC(C)(C)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
BDBM621077	CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621078	CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621079	CC1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
BDBM621080	CC1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
BDBM621081	CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 \|r\|
BDBM621082	CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(C)CC1 \|r\|
BDBM621083	CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621084	CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621085	CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1 \|r\|
BDBM621086	CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1 \|r\|
BDBM621087	CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1 \|r\|
BDBM621088	CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2c1 \|r\|
BDBM621089	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F \|r\|
BDBM621090	FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
BDBM621091	FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
BDBM621092	FC(F)(F)C1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621093	F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F \|r\|
BDBM621094	COc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621095	CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC)cn12 \|r\|
BDBM621096	COc1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621097	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)(F)F)cn12 \|r\|
BDBM621098	FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621099	FC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
BDBM621100	FC(F)Oc1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
BDBM621101	OC[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(OC(F)F)cn12 \|r\|
BDBM621102	FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1 \|r\|
BDBM621103	Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621104	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C(F)F \|r\|
BDBM621105	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(c1)C1CC1 \|r\|
BDBM621106	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 \|r\|
BDBM621107	COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 \|r\|
BDBM621108	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 \|r\|
BDBM621155	CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1)C(F)(F)F \|r\|
BDBM621109	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 \|r\|
BDBM621110	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C1CC1 \|r\|
BDBM621111	COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
BDBM621112	COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1
BDBM621113	COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1
BDBM621114	COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(c1)C(F)F \|r\|
BDBM621115	OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 \|r\|
BDBM621116	CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621117	CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 \|r\|
BDBM621118	COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621119	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 \|r\|
BDBM621120	FC(F)(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 \|r\|
BDBM621121	FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 \|r\|
BDBM621122	C1CC1c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621123	FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 \|r\|
BDBM621124	CC1(C)CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F \|r\|
BDBM621125	FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 \|r\|
BDBM621126	FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 \|r\|
BDBM621127	CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F \|r\|
BDBM621128	FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F \|r\|
BDBM621129	C[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F \|r\|
BDBM621130	FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
BDBM621131	FC(F)c1ccc2ncc(-c3cccc(NC4CC5(C4)CCNC5)n3)n2c1 \|(-6.48,3.83,;-5.15,3.06,;-5.15,1.52,;-3.81,3.83,;-3.81,5.37,;-2.48,6.14,;-1.14,5.37,;.32,5.85,;1.23,4.6,;.32,3.36,;1.09,2.02,;0,.93,;.4,-.55,;1.89,-.95,;2.98,.14,;4.46,-.26,;5.23,-1.6,;4.14,-2.68,;5.23,-3.77,;6.32,-2.68,;3.99,-4.68,;4.46,-6.14,;6,-6.14,;6.48,-4.68,;2.58,1.62,;-1.14,3.83,;-2.48,3.06,)\|
BDBM621132	FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
BDBM621133	FC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1
BDBM621134	CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 \|r\|
BDBM621135	CC(C)Oc1ccn2c(cnc2c1)-c1cc(F)cc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621136	CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNC[C@@H]2F)c(F)cc1F \|r\|
BDBM621137	CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F \|r\|
BDBM621138	CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 \|r\|
BDBM621139	CC(C)Oc1ccn2c(cnc2c1)-c1cncc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621140	CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F \|r\|
BDBM621141	CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F \|r\|
BDBM621144	CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl \|r\|
BDBM621145	NC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621146	CNC(=O)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621147	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC3CC3)ccn12 \|r\|
BDBM621148	FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621149	COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O \|r\|
BDBM621150	CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F \|r\|
BDBM621153	CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F \|r\|
BDBM621157	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC(F)(F)F)ccn12 \|r\|
BDBM621158	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 \|r\|
BDBM621159	F[C@H]1CCNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)-c1ncc[nH]1 \|r\|
BDBM621160	FC(F)COc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621161	CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621162	CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F \|r\|
BDBM621163	CC1(CC1)c1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 \|r\|
BDBM621164	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(Cl)ccn12 \|r\|
BDBM621165	F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)C1CC1 \|r\|
BDBM621151	CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F \|r\|
BDBM621142	CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F \|r\|
US20240043405, Compound 001	Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CCC[C@H](C1)NC(=O)C=C \|r\|
US20240043405, Compound 002	C=CC(=O)N[C@@H]1CCCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 \|r\|
US20240043405, Compound 003	Cc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CCC[C@H](C1)NC(=O)C=C \|r\|
US20240043405, Compound 005	C=CC(=O)N[C@H]1CCCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 \|r\|
US20240043405, Compound 006	C=CC(=O)N[C@@H]1CNCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 \|r\|
US20240043405, Compound 007	Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C1CNC[C@H](C1)NC(=O)C=C \|r\|
US20240043405, Compound 013	CN1C[C@H](CC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C \|r\|
US20240043405, Compound 016	Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)C12CC(C1)(C2)NC(=O)C=C
US20240043405, Compound 024	C=CC(=O)N1CC2(CC(C2)n2cc(nn2)-c2ccc(NC(=O)c3cccc(n3)-c3cnoc3)nc2)C1
US20240043405, Compound 025	C=CC(=O)N1CC2(CC(C2)n2cc(nn2)-c2ccc(NC(=O)c3cccc(n3)-c3ccn[nH]3)nc2)C1
US20240043405, Compound 026	C=CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1 \|r\|
US20240043405, Compound 027	C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 \|r\|
US20240043405, Compound 028	C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 \|r\|
US20240043405, Compound 029	C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2cnoc2)nc1 \|r\|
US20240043405, Compound 030	C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2cnoc2)nc1 \|r\|
US20240043405, Compound 031	Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)[C@H]1CCCN(C1)C(=O)C=C \|r\|
US20240043405, Compound 032	Fc1cc(NC(=O)c2cccc(n2)-c2cnoc2)ccc1NC(=O)[C@H]1CCCN(C1)C(=O)C=C \|r\|
US20240043405, Compound 033	Fc1cc(NC(=O)c2cccc(n2)-c2ccn[nH]2)ccc1NC(=O)[C@@H]1CCCN(C1)C(=O)C=C \|r\|
US20240043405, Compound 034	Fc1cc(NC(=O)c2cccc(n2)-c2cnoc2)ccc1NC(=O)[C@@H]1CCCN(C1)C(=O)C=C \|r\|
US20240043405, Compound 038	FC(F)(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C \|r\|
US20240043405, Compound 039	FC(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C \|r\|
CHEMBL5288931	CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cnc(C)nc2)cn1
CHEMBL5274954	CC(C)Nc1nc(Nc2cnn(c2)C2CC3(C2)CN(C)C3)nc2cc(F)c(nc12)-c1cnc(C)nc1
CHEMBL5283628	CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1
CHEMBL5278465	Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1