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834 SMILES Strings for Maternal embryonic leucine zipper kinase (MELK)

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
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,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
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
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
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
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
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
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM166159 CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM166160 CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
BDBM166163 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CCC1 |r,wU:7.10,wD:4.3,(-4.94,5,;-3.61,4.23,;-2.28,5,;-3.61,2.69,;-2.28,1.93,;-2.28,.38,;-.94,-.38,;.39,.38,;.39,1.93,;-.94,2.69,;1.72,-.38,;1.72,-1.93,;3.06,-2.69,;3.06,-4.23,;1.72,-5,;.39,-4.23,;-.94,-5,;-2.28,-4.23,;-2.28,-2.69,;-.94,-1.93,;.39,-2.69,;-3.61,-1.93,;-4.94,-2.69,;-6.28,-1.93,;-7.61,-2.69,;-6.28,-.38,;-7.61,.38,;-4.94,.38,;-4.94,1.93,;-3.61,-.38,;4.39,-1.93,;4.39,-.38,;5.73,-2.69,;6.12,-4.18,;7.61,-3.78,;7.21,-2.3,)|
BDBM166164 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CCC1 |r,wU:7.10,wD:4.3,(-4.94,5,;-3.61,4.23,;-2.28,5.01,;-3.61,2.69,;-2.28,1.92,;-2.28,.38,;-.94,-.39,;.39,.38,;.39,1.92,;-.94,2.69,;1.72,-.39,;1.72,-1.93,;3.06,-2.7,;3.06,-4.24,;1.72,-5.01,;.39,-4.24,;-.94,-5.01,;-2.28,-4.24,;-2.28,-2.7,;-.94,-1.93,;.39,-2.7,;-3.61,-1.93,;-4.94,-2.7,;-6.28,-1.93,;-7.61,-2.7,;-6.28,-.39,;-7.61,.38,;-4.94,.38,;-4.94,1.92,;-3.61,-.39,;4.39,-1.93,;4.39,-.39,;5.73,-2.7,;6.12,-4.18,;7.61,-3.78,;7.21,-2.3,)|
BDBM166161 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CC[C@@H](F)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,22.24,wD:17.19,(6.67,-4.16,;5.33,-3.39,;5.33,-1.85,;4,-4.16,;4,-5.7,;2.67,-6.47,;1.33,-5.7,;,-6.47,;-1.33,-5.7,;-1.33,-4.16,;,-3.39,;1.33,-4.16,;2.67,-3.39,;2.67,-1.85,;1.33,-1.08,;,-1.85,;-1.33,-1.08,;-1.33,.46,;-2.67,1.23,;-2.67,2.77,;-3.91,3.67,;-3.44,5.14,;-1.9,5.14,;-1.13,6.47,;-1.42,3.67,;,1.23,;1.33,.46,;-2.67,-3.39,;-4,-4.16,;-5.33,-3.39,;-6.67,-4.16,;-5.33,-1.85,;-6.67,-1.08,;-4,-1.08,;-4,.46,;-2.67,-1.85,)|
BDBM166162 N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CCC2)cn1 |r|
BDBM166165 CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
BDBM166166 CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM166167 CC(C)C(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM166168 CC(C)C(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-2.7,;6,-3.47,;6,-5.01,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;1.31,1.42,;.22,2.51,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;-1.66,.62,;-.58,-.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
BDBM166169 CC(C)C(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-2.7,;6,-3.47,;6,-5.01,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;1.31,1.42,;.22,2.51,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;-1.66,.62,;-.58,-.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
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
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
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
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|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
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
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
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|
BDBM60578 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.51,5.78,;-1.42,4.7,;.06,5.09,;-1.82,3.21,;-.73,2.12,;-1.13,.63,;-.04,-.46,;1.44,-.06,;1.84,1.43,;.75,2.52,;2.53,-1.15,;2.53,-2.66,;3.87,-3.43,;3.87,-4.97,;2.53,-5.74,;1.2,-4.97,;-.13,-5.74,;-1.47,-4.97,;-1.47,-3.43,;-.13,-2.66,;1.2,-3.43,;-2.8,-2.66,;-2.8,-1.12,;-4.13,-.35,;-4.13,.99,;-5.47,-1.12,;-6.8,-.35,;-5.47,-2.66,;-6.8,-3.43,;-4.13,-3.43,;5.2,-2.66,;6.53,-3.43,;5.2,-1.12,)|
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50442757 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
BDBM50442758 CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442759 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442760 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM177488 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177540 CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-6.9,4.24,;-5.56,3.47,;-5.56,1.93,;-4.23,4.23,;-4.23,5.78,;-2.9,3.47,;-1.56,4.24,;-2.9,1.93,;-1.56,1.15,;-1.56,-.38,;-.23,-1.15,;1.1,-.38,;1.1,1.15,;-.23,1.93,;2.44,-1.15,;2.44,-2.69,;3.77,-3.47,;3.77,-5,;2.44,-5.78,;1.1,-5,;-.23,-5.78,;-1.56,-5,;-1.56,-3.47,;-.23,-2.69,;1.1,-3.47,;-2.9,-2.69,;-4.23,-3.47,;-5.56,-2.69,;-6.9,-3.47,;-5.56,-1.15,;-6.9,-.38,;-4.23,-.38,;-4.23,1.15,;-2.9,-1.15,;5.1,-2.69,;6.44,-3.46,;5.1,-1.15,)|
BDBM177328 CN(C)C1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(=O)C3CC3)cc2)C1
BDBM176740 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1ccc(nc1)C#N |r,wU:19.21,wD:16.17,(6.67,-3.08,;6.67,-1.54,;8,-.77,;5.33,-.77,;5.33,.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.33,3.08,;,3.85,;-1.33,3.08,;-2.67,3.85,;-1.33,1.54,;,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-6.67,1.54,;-8,2.31,)|
BDBM177195 NC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177210 NC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM176820 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C(C)N(C)C)c2c1
BDBM176847 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(F)c1 |r,wU:19.21,wD:16.17,(7.34,-1.41,;6,-2.18,;6,-3.72,;4.67,-1.41,;4.67,.13,;3.33,-2.18,;3.33,-3.72,;2,-4.49,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;2,-1.41,;2,.13,;.91,1.22,;1.31,2.71,;.22,3.8,;-1.27,3.4,;-2.36,4.49,;-1.66,1.91,;-.58,.82,;-3.33,-1.41,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-6,.13,;-7.34,.9,;-4.67,.9,;-4.67,2.44,;-3.33,.13,)|
BDBM176848 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NCCN3CCNCC3)c2c1
BDBM176852 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1ccc(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-.77,;6,-1.54,;6,-3.08,;4.67,-.77,;4.67,.77,;3.33,-1.54,;3.33,-3.08,;2,-3.85,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;2,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-2,1.54,;-.67,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-6,-.77,;-7.34,-1.54,;-4.67,-1.54,)|
BDBM176880 CC(C1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)S(C)(=O)=O)N(C)C
BDBM176883 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCN(C)CC3)c2c1
BDBM176884 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C(C)N(C)C)c2c1
BDBM176968 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCOCC4)CC3)c2c1
BDBM176969 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(C)=O |(-4.26,3.89,;-3.18,2.8,;-1.69,3.2,;-1.29,4.69,;-2.38,5.78,;-.6,2.11,;-1,.62,;.09,-.47,;1.58,-.07,;1.98,1.42,;.89,2.51,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.7,;1.33,-3.47,;-2.67,-2.7,;-2.67,-1.16,;-4,-.39,;-5.33,-1.16,;-6.67,-.39,;-5.33,-2.7,;-6.67,-3.47,;-4,-3.47,;5.33,-2.7,;6.67,-3.47,;5.33,-1.16,)|
BDBM176970 CC(=O)c1cnc2ccc(cc2c1N1CCC(CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1
BDBM176973 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN(C)C)cc3)c2c1
BDBM177044 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(Nc3ccc(CN(C)C)cc3)c2c1)S(C)(=O)=O
BDBM177045 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2ccc(O)c(Cl)c2)S(C)(=O)=O)cc1
BDBM177046 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N3CCC(CN4CCCC4)CC3)c2c1)S(C)(=O)=O
BDBM177047 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN2CCCC2)cc1)-c1cnc(nc1)C#N
BDBM177048 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(C)=O)cc1
BDBM50043325 COc1cc(O)cc(Nc2ccc(cc2)C(=O)Nc2ccc3CCNCc3c2)c1
BDBM166058 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(Cl)nc12)C(C)=O |r,wU:4.3,wD:7.10,(-5.33,5,;-4,4.23,;-2.67,5,;-4,2.69,;-2.67,1.93,;-1.33,2.69,;,1.93,;,.38,;-1.33,-.38,;-2.67,.38,;1.33,-.38,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;1.33,-5,;,-4.23,;-1.33,-5,;-2.67,-4.23,;-2.67,-2.69,;-4,-1.93,;-1.33,-1.93,;,-2.69,;4,-1.93,;5.33,-2.69,;4,-.38,)|
BDBM177453 CN(C)CCN1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177381 CN(C)CCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177410 CN(C)CCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177206 NC1CCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177182 NC1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177141 NCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177138 NCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177280 N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM176788 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.63,4.49,;-1.54,3.4,;-.05,3.8,;1.04,2.71,;.64,1.22,;-.85,.82,;-1.94,1.91,;1.73,.13,;1.73,-1.41,;3.06,-2.18,;3.06,-3.72,;1.73,-4.49,;.39,-3.72,;-.94,-4.49,;-2.27,-3.72,;-2.27,-2.18,;-.94,-1.41,;.39,-2.18,;-3.61,-1.41,;-3.61,.13,;-4.94,.9,;-4.94,2.44,;-6.27,.13,;-7.61,.9,;-6.27,-1.41,;-7.61,-2.18,;-4.94,-2.18,;4.39,-1.41,;4.39,.13,;5.73,-2.18,;6.5,-3.51,;7.27,-2.18,)|
BDBM176889 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:24.25,wD:27.32,(-8.11,-2.15,;-6.77,-2.92,;-5.44,-2.15,;-4.1,-2.92,;-2.77,-2.15,;-2.77,-.61,;-4.1,.16,;-4.1,1.7,;-5.44,-.61,;-6.77,.16,;-1.44,-2.92,;-1.44,-4.46,;-.1,-5.23,;1.23,-4.46,;2.56,-5.23,;3.9,-4.46,;3.9,-2.92,;5.23,-2.15,;5.23,-.61,;6.57,-2.92,;7.34,-4.26,;8.11,-2.92,;2.56,-2.15,;2.56,-.61,;1.48,.48,;-.01,.08,;-1.1,1.17,;-.7,2.66,;.78,3.05,;1.87,1.96,;-1.79,3.74,;-1.39,5.23,;-3.28,3.35,;1.23,-2.92,;-.1,-2.15,)|
BDBM176890 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;1.98,2.71,;.89,3.8,;-.6,3.4,;-1.69,4.49,;-1,1.91,;.09,.82,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-5.33,.13,;-6.67,.9,;-4,.9,;-4,2.44,;-2.67,.13,)|
BDBM176914 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM176917 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM176918 COc1cc(cc(Cl)c1O)-c1cc2c(N[C@H]3CC[C@H](N)CC3)c(cnc2cc1F)C(=O)C1CC1 |r,wU:15.15,wD:18.19,(-8.11,-1.41,;-6.77,-2.18,;-5.44,-1.41,;-4.1,-2.18,;-2.77,-1.41,;-2.77,.13,;-4.1,.9,;-4.1,2.44,;-5.44,.13,;-6.77,.9,;-1.44,-2.18,;-.1,-1.41,;1.23,-2.18,;2.56,-1.41,;2.56,.13,;1.48,1.22,;-.01,.82,;-1.1,1.91,;-.7,3.4,;-1.79,4.49,;.78,3.8,;1.87,2.71,;3.9,-2.18,;3.9,-3.72,;2.56,-4.49,;1.23,-3.72,;-.1,-4.49,;-1.44,-3.72,;-2.77,-4.49,;5.23,-1.41,;5.23,.13,;6.57,-2.18,;7.34,-3.51,;8.11,-2.18,)|
BDBM176943 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC34CC5CC(CC(N)(C5)C3)C4)c2c1 |TLB:27:28:33:26.32.25,32:26:34:33.30.29,32:30:34:26.27.25,THB:27:26:33:34.28.29|
BDBM176945 CCN(CC)[C@@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |r,wU:8.11,5.4,(-4.37,3.89,;-3.28,2.8,;-1.79,3.2,;-1.39,4.69,;-2.48,5.78,;-.7,2.11,;-1.1,.62,;-.01,-.47,;1.48,-.07,;1.87,1.42,;.78,2.51,;2.56,-1.16,;2.56,-2.7,;3.9,-3.47,;3.9,-5.01,;2.56,-5.78,;1.23,-5.01,;-.1,-5.78,;-1.44,-5.01,;-1.44,-3.47,;-.1,-2.7,;1.23,-3.47,;-2.77,-2.7,;-2.77,-1.16,;-4.1,-.39,;-4.1,1.15,;-5.44,-1.16,;-6.77,-.39,;-5.44,-2.7,;-6.77,-3.47,;-8.11,-2.7,;-4.1,-3.47,;5.23,-2.7,;5.23,-1.16,;6.57,-3.47,;7.34,-4.8,;8.11,-3.47,)|
BDBM176947 Oc1ccc(cc1OC(F)(F)F)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM176976 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@@H](CC3)N3CCCC3)c2c1 |r,wU:22.23,wD:25.30,(-7.44,-.11,;-6.1,-.88,;-4.77,-.11,;-3.44,-.88,;-3.44,-2.42,;-4.77,-3.19,;-6.1,-2.42,;-7.44,-3.19,;-2.1,-3.19,;-2.1,-4.73,;-.77,-5.5,;.56,-4.73,;1.9,-5.5,;3.23,-4.73,;3.23,-3.19,;4.56,-2.42,;4.56,-.88,;5.9,-3.19,;6.67,-4.52,;7.44,-3.19,;1.9,-2.42,;1.9,-.88,;.81,.21,;-.68,-.19,;-1.77,.9,;-1.37,2.39,;.12,2.79,;1.21,1.7,;-2.46,3.48,;-2.44,5.02,;-3.91,5.5,;-4.81,4.25,;-3.91,3,;.56,-3.19,;-.77,-2.42,)|
BDBM176977 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@@H](CC3)N3CCCC3)c2c1 |r,wU:24.25,wD:27.32,(-8.11,-2.42,;-6.77,-3.19,;-5.44,-2.42,;-4.1,-3.19,;-2.77,-2.42,;-2.77,-.88,;-4.1,-.11,;-4.1,1.43,;-5.44,-.88,;-6.77,-.11,;-1.44,-3.19,;-1.44,-4.73,;-.1,-5.5,;1.23,-4.73,;2.56,-5.5,;3.9,-4.73,;3.9,-3.19,;5.23,-2.42,;5.23,-.88,;6.57,-3.19,;7.34,-4.52,;8.11,-3.19,;2.56,-2.42,;2.56,-.88,;1.48,.21,;-.01,-.19,;-1.1,.9,;-.7,2.39,;.78,2.79,;1.87,1.7,;-1.79,3.48,;-1.77,5.02,;-3.24,5.5,;-4.14,4.25,;-3.24,3,;1.23,-3.19,;-.1,-2.42,)|
BDBM177012 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-1.33,5.01,;-2.67,4.24,;-4,5.01,;-2.67,2.7,;-1.33,1.92,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.92,;,2.69,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.92,;1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-4,.39,;-4,1.93,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-4,-2.7,;5.33,-1.92,;6.67,-2.69,;5.33,-.38,)|
BDBM177013 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-1.33,5.01,;-2.67,4.24,;-4,5.01,;-2.67,2.7,;-1.33,1.92,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.92,;,2.69,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.92,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.39,;-4,1.93,;-2.67,-.39,;5.33,-1.92,;6.67,-2.69,;5.33,-.38,)|
BDBM177074 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CCN4CCCC4)C(=O)C3)c2c1
BDBM177075 CN(C)CC(=O)N1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1
BDBM177076 CN(C)CC(=O)N1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177077 CN1CCCC1c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)nc1
BDBM177078 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cn3)C3CCCN3C)c2c1
BDBM177079 CN1CCCC1c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)nc1
BDBM177267 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN(C)CCO)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-1.93,;-6.77,-2.7,;-5.44,-1.93,;-4.1,-2.7,;-2.77,-1.93,;-2.77,-.39,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-1.44,-2.7,;-1.44,-4.24,;-.1,-5.01,;1.23,-4.24,;2.56,-5.01,;3.9,-4.24,;3.9,-2.7,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.39,;1.23,.38,;-.1,-.39,;-1.44,.38,;-1.44,1.92,;-2.77,2.7,;-2.77,4.24,;-4.1,5.01,;-1.44,5.01,;-.1,4.24,;1.23,5.01,;-.1,2.69,;1.23,1.92,;1.23,-2.7,;-.1,-1.92,)|
BDBM177268 CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-.77,4.24,;.56,5.01,;-3.44,2.7,;-2.1,1.92,;-2.1,.38,;-.77,-.39,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177269 CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.93,5.01,;-3.6,4.24,;-2.26,5.01,;-.93,4.24,;.41,5.01,;-3.6,2.7,;-2.26,1.92,;-2.26,.38,;-.93,-.39,;.41,.38,;.41,1.92,;-.93,2.69,;1.74,-.39,;1.74,-1.93,;3.07,-2.7,;3.07,-4.24,;1.74,-5.01,;.41,-4.24,;-.93,-5.01,;-2.26,-4.24,;-2.26,-2.7,;-.93,-1.92,;.41,-2.7,;-3.6,-1.93,;-4.93,-2.7,;-6.26,-1.93,;-7.6,-2.7,;-6.26,-.39,;-7.6,.38,;-4.93,.38,;-4.93,1.92,;-3.6,-.39,;4.41,-1.92,;4.41,-.38,;5.74,-2.69,;6.51,-4.03,;7.28,-2.69,)|
BDBM177270 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:9.12,wD:6.5,(-3.44,6.93,;-3.44,5.39,;-2.1,4.62,;-2.1,3.08,;-3.44,2.31,;-3.44,.77,;-2.1,,;-2.1,-1.54,;-.77,-2.31,;.56,-1.54,;.56,,;-.77,.77,;1.9,-2.31,;1.9,-3.85,;3.23,-4.62,;3.23,-6.16,;1.9,-6.93,;.56,-6.16,;-.77,-6.93,;-2.1,-6.16,;-2.1,-4.62,;-.77,-3.85,;.56,-4.62,;-3.44,-3.85,;-3.44,-2.31,;-4.77,-1.54,;-4.77,,;-6.1,-2.31,;-7.44,-1.54,;-6.1,-3.85,;-7.44,-4.62,;-4.77,-4.62,;4.56,-3.85,;4.56,-2.31,;5.9,-4.62,;6.67,-5.95,;7.44,-4.62,;-4.77,3.08,;-4.77,4.62,)|
BDBM177293 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)nc3)c2c1
BDBM177294 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC[C@H](N)C3)c2c1 |r|
BDBM177295 COC1CCN(C1)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |(-5.81,6.44,;-4.32,6.04,;-3.92,4.55,;-4.83,3.31,;-3.92,2.06,;-2.46,2.54,;-2.46,4.08,;-1.37,1.45,;.12,1.85,;1.21,.76,;.81,-.73,;-.68,-1.13,;-1.77,-.04,;1.9,-1.82,;1.9,-3.36,;3.23,-4.13,;3.23,-5.67,;1.9,-6.44,;.56,-5.67,;-.77,-6.44,;-2.1,-5.67,;-2.1,-4.13,;-.77,-3.36,;.56,-4.13,;-3.44,-3.36,;-3.44,-1.82,;-4.77,-1.05,;-4.77,.49,;-6.1,-1.82,;-7.44,-1.05,;-6.1,-3.36,;-7.44,-4.13,;-4.77,-4.13,;4.56,-3.36,;4.56,-1.82,;5.9,-4.13,;6.67,-5.46,;7.44,-4.13,)|
BDBM177296 CN(C)C1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:11.14,wD:8.7,(-4.9,7.09,;-5.3,5.61,;-6.78,5.21,;-4.21,4.52,;-2.67,4.52,;-2.19,3.05,;-3.44,2.15,;-3.44,.61,;-2.1,-.16,;-2.1,-1.7,;-.77,-2.47,;.56,-1.7,;.56,-.16,;-.77,.61,;1.9,-2.47,;1.9,-4.01,;3.23,-4.78,;3.23,-6.32,;1.9,-7.09,;.56,-6.32,;-.77,-7.09,;-2.1,-6.32,;-2.1,-4.78,;-.77,-4.01,;.56,-4.78,;-3.44,-4.01,;-3.44,-2.47,;-4.77,-1.7,;-4.77,-.16,;-6.1,-2.47,;-7.44,-1.7,;-6.1,-4.01,;-7.44,-4.78,;-4.77,-4.78,;4.56,-4.01,;4.56,-2.47,;5.9,-4.78,;6.67,-6.12,;7.44,-4.78,;-4.68,3.05,)|
BDBM177297 CN(C)C1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:11.14,wD:8.7,(-4.9,7.09,;-5.3,5.61,;-6.78,5.21,;-4.21,4.52,;-2.67,4.52,;-2.19,3.05,;-3.44,2.15,;-3.44,.61,;-2.1,-.16,;-2.1,-1.7,;-.77,-2.47,;.56,-1.7,;.56,-.16,;-.77,.61,;1.9,-2.47,;1.9,-4.01,;3.23,-4.78,;3.23,-6.32,;1.9,-7.09,;.56,-6.32,;-.77,-7.09,;-2.1,-6.32,;-2.1,-4.78,;-.77,-4.01,;.56,-4.78,;-3.44,-4.01,;-4.77,-4.78,;-6.1,-4.01,;-7.44,-4.78,;-6.1,-2.47,;-7.44,-1.7,;-4.77,-1.7,;-4.77,-.16,;-3.44,-2.47,;4.56,-4.01,;4.56,-2.47,;5.9,-4.78,;6.67,-6.12,;7.44,-4.78,;-4.68,3.05,)|
BDBM177351 CN(C)C[C@@H]1CC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
BDBM177352 CN(C)C[C@@H]1CC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r|
BDBM177353 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCNCC3)c2c1
BDBM177354 CN(C)C1CCc2cc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)ccc12
BDBM177355 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(F)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.92,;6.67,-2.69,;5.33,-.38,)|
BDBM177356 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(OCCN)nc3)c2c1
BDBM177379 CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177380 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NCCN(C)C)nc3)c2c1
BDBM177383 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC(O)C4)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-3.51,;-6,-4.28,;-4.67,-3.51,;-3.33,-4.28,;-2,-3.51,;-2,-1.97,;-3.33,-1.2,;-3.33,.34,;-4.67,-1.97,;-6,-1.2,;-.67,-4.28,;-.67,-5.82,;.67,-6.59,;2,-5.82,;3.33,-6.59,;4.67,-5.82,;4.67,-4.28,;6,-3.51,;7.34,-4.28,;6,-1.97,;3.33,-3.51,;3.33,-1.73,;2,-.96,;2,.58,;.67,1.35,;-.67,.58,;-2,1.35,;-2,2.89,;-3.25,3.79,;-2.77,5.26,;-1.23,5.26,;-.46,6.59,;-.75,3.79,;-.67,-.96,;.67,-1.73,;2,-4.28,;.67,-3.51,)|
BDBM177384 CN(C)C[C@@H]1CCC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r|
BDBM177412 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(F)c2)C(=O)C2CC2)cn1
BDBM177413 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC(N)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.55,-4.13,;5.21,-3.36,;5.21,-1.82,;3.88,-4.13,;3.88,-5.67,;2.55,-6.44,;1.21,-5.67,;-.12,-6.44,;-1.46,-5.67,;-1.46,-4.13,;-.12,-3.36,;1.21,-4.13,;2.55,-3.36,;2.55,-1.58,;1.21,-.81,;-.12,-1.58,;-1.46,-.81,;-1.46,.73,;-2.79,1.5,;-2.79,3.04,;-4.12,3.81,;-4.12,5.35,;-1.46,5.35,;-.37,6.44,;-1.46,3.81,;-.12,1.5,;1.21,.73,;-2.79,-3.36,;-2.79,-1.82,;-4.12,-1.05,;-4.12,.49,;-5.46,-1.82,;-6.79,-1.05,;-5.46,-3.36,;-6.79,-4.13,;-4.12,-4.13,)|
BDBM177414 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC(N)C4)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.46,-3.36,;-6.12,-4.13,;-4.79,-3.36,;-3.46,-4.13,;-2.12,-3.36,;-2.12,-1.82,;-3.46,-1.05,;-3.46,.49,;-4.79,-1.82,;-6.12,-1.05,;-.79,-4.13,;-.79,-5.67,;.55,-6.44,;1.88,-5.67,;3.21,-6.44,;4.55,-5.67,;4.55,-4.13,;5.88,-3.36,;7.21,-4.13,;5.88,-1.82,;3.21,-3.36,;3.21,-1.58,;1.88,-.81,;.55,-1.58,;-.79,-.81,;-.79,.73,;-2.12,1.5,;-2.12,3.04,;-3.46,3.81,;-3.46,5.35,;-.79,5.35,;.3,6.44,;-.79,3.81,;.55,1.5,;1.88,.73,;1.88,-4.13,;.55,-3.36,)|
BDBM177415 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:9.12,wD:6.5,(-2.79,7.05,;-2.79,5.51,;-1.46,4.74,;-1.46,3.2,;-2.79,2.43,;-2.79,.89,;-1.46,.12,;-1.46,-1.42,;-.12,-2.19,;1.21,-1.42,;1.21,.12,;-.12,.89,;2.55,-2.19,;2.55,-3.97,;3.88,-4.74,;3.88,-6.28,;2.55,-7.05,;1.21,-6.28,;-.12,-7.05,;-1.46,-6.28,;-1.46,-4.74,;-.12,-3.97,;1.21,-4.74,;-2.79,-3.97,;-2.79,-2.43,;-4.12,-1.66,;-4.12,-.12,;-5.46,-2.43,;-6.79,-1.66,;-5.46,-3.97,;-6.79,-4.74,;-4.12,-4.74,;5.21,-3.97,;6.55,-4.74,;5.21,-2.43,;-4.12,3.2,;-4.12,4.74,)|
BDBM177416 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:9.12,wD:6.5,(-2.79,7.05,;-2.79,5.51,;-1.46,4.74,;-1.46,3.2,;-2.79,2.43,;-2.79,.89,;-1.46,.12,;-1.46,-1.42,;-.12,-2.19,;1.21,-1.42,;1.21,.12,;-.12,.89,;2.55,-2.19,;2.55,-3.97,;3.88,-4.74,;3.88,-6.28,;2.55,-7.05,;1.21,-6.28,;-.12,-7.05,;-1.46,-6.28,;-1.46,-4.74,;-.12,-3.97,;1.21,-4.74,;-2.79,-3.97,;-2.79,-2.43,;-4.12,-1.66,;-4.12,-.12,;-5.46,-2.43,;-6.79,-1.66,;-5.46,-3.97,;-6.79,-4.74,;-4.12,-4.74,;5.21,-3.97,;6.55,-4.74,;5.21,-2.43,;-4.12,3.2,;-4.12,4.74,)|
BDBM177438 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177439 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177441 CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177442 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@@H]2CO)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-3.91,4.34,;-3.44,5.8,;-1.9,5.8,;-1.42,4.34,;-.09,3.57,;1.25,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-4,-3.49,;-5.33,-2.72,;-6.67,-3.49,;-5.33,-1.18,;-6.67,-.41,;-4,-.41,;-4,1.13,;-2.67,-1.18,)|
BDBM177465 CN1CCN(CCc2cccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)c2)CC1
BDBM177466 CN1CCN(C[C@@H]2CCC[C@@H](C2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r|
BDBM177467 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(C(C)=O)c(C)nc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:7.10,wD:4.3,(-4.15,5.01,;-2.81,4.24,;-1.48,5.01,;-2.81,2.7,;-1.48,1.93,;-1.48,.39,;-.15,-.38,;1.19,.39,;1.19,1.93,;-.15,2.7,;2.52,-.38,;2.52,-1.89,;3.86,-2.66,;5.19,-1.89,;6.52,-2.66,;5.19,-.35,;3.86,-4.2,;5.19,-4.97,;2.52,-4.97,;1.19,-4.2,;-.15,-4.97,;-1.48,-4.2,;-1.48,-2.66,;-.15,-1.89,;1.19,-2.66,;-2.81,-1.89,;-2.81,-.35,;-4.15,.42,;-4.15,1.77,;-5.48,-.35,;-6.81,.42,;-5.48,-1.89,;-6.81,-2.66,;-4.15,-2.66,)|
BDBM177468 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(C(C)=O)c(C)nc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1 |r,wU:7.10,wD:4.3,(-4.15,5.01,;-2.81,4.24,;-1.48,5.01,;-2.81,2.7,;-1.48,1.93,;-1.48,.39,;-.15,-.38,;1.19,.39,;1.19,1.93,;-.15,2.7,;2.52,-.38,;2.52,-1.89,;3.86,-2.66,;5.19,-1.89,;6.52,-2.66,;5.19,-.35,;3.86,-4.2,;5.19,-4.97,;2.52,-4.97,;1.19,-4.2,;-.15,-4.97,;-1.48,-4.2,;-1.48,-2.66,;-.15,-1.89,;1.19,-2.66,;-2.81,-1.89,;-2.81,-.35,;-4.15,.42,;-4.15,1.77,;-5.48,-.35,;-6.81,.42,;-5.48,-1.89,;-6.81,-2.66,;-4.15,-2.66,)|
BDBM177469 CN1CCN(C[C@@H]2CCC[C@@H](C2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r|
BDBM177470 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177541 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccncc1)C(C)=O |r,wU:7.10,wD:4.3,(-4.9,5,;-3.56,4.23,;-2.23,5.01,;-3.56,2.69,;-2.23,1.92,;-2.23,.38,;-.9,-.39,;.44,.38,;.44,1.92,;-.9,2.7,;1.77,-.39,;1.77,-1.93,;3.1,-2.7,;3.1,-4.24,;1.77,-5.01,;.44,-4.24,;-.9,-5.01,;-2.23,-4.24,;-2.23,-2.7,;-.9,-1.92,;.44,-2.7,;-3.56,-1.93,;-4.9,-2.7,;-6.23,-1.93,;-6.23,-.39,;-4.9,.38,;-3.56,-.39,;4.44,-1.92,;5.77,-2.69,;4.44,-.38,)|
BDBM177542 CS(=O)(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM177543 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc2[nH]ncc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-3.71,5,;-2.38,4.23,;-1.05,5.01,;-2.38,2.69,;-1.05,1.92,;.29,2.7,;1.62,1.92,;1.62,.38,;.29,-.39,;-1.05,.38,;2.96,-.39,;2.96,-1.93,;4.29,-2.7,;4.29,-4.24,;2.96,-5.01,;1.62,-4.24,;.29,-5.01,;-1.05,-4.24,;-1.05,-2.7,;.29,-1.92,;1.62,-2.7,;-2.38,-1.93,;-2.38,-.39,;-3.71,.38,;-5.05,-.39,;-6.51,.09,;-7.42,-1.16,;-6.51,-2.4,;-5.05,-1.93,;-3.71,-2.7,;5.62,-1.92,;6.96,-2.69,;5.62,-.38,)|
BDBM177544 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc2nc[nH]c2c1)C(C)=O |r,wU:4.3,wD:7.10,(-3.71,5,;-2.38,4.23,;-1.05,5.01,;-2.38,2.69,;-1.05,1.92,;.29,2.7,;1.62,1.92,;1.62,.38,;.29,-.39,;-1.05,.38,;2.96,-.39,;2.96,-1.93,;4.29,-2.7,;4.29,-4.24,;2.96,-5.01,;1.62,-4.24,;.29,-5.01,;-1.05,-4.24,;-1.05,-2.7,;.29,-1.92,;1.62,-2.7,;-2.38,-1.93,;-2.38,-.39,;-3.71,.38,;-5.05,-.39,;-6.51,.09,;-7.42,-1.16,;-6.51,-2.4,;-5.05,-1.93,;-3.71,-2.7,;5.62,-1.92,;6.96,-2.69,;5.62,-.38,)|
BDBM177545 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cn[nH]c1)C(C)=O |r,wU:4.3,wD:7.10,(-5.05,5,;-3.71,4.23,;-2.38,5.01,;-3.71,2.69,;-2.38,1.92,;-1.05,2.7,;.29,1.92,;.29,.38,;-1.05,-.39,;-2.38,.38,;1.62,-.39,;1.62,-1.93,;2.96,-2.7,;2.96,-4.24,;1.62,-5.01,;.29,-4.24,;-1.05,-5.01,;-2.38,-4.24,;-2.38,-2.7,;-1.05,-1.92,;.29,-2.7,;-3.71,-1.93,;-5.18,-2.4,;-6.08,-1.16,;-5.18,.09,;-3.71,-.39,;4.29,-1.92,;5.62,-2.69,;4.29,-.38,)|
BDBM177563 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C(C)(C)C)cn1
BDBM177564 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C(C)(C)C)cn1
BDBM177565 CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C(C)(C)C |r,wU:6.5,wD:9.12,(-.82,3.47,;-2.15,4.23,;-2.15,5.78,;-3.49,3.47,;-4.82,4.23,;-3.49,1.93,;-2.15,1.15,;-.82,1.93,;.51,1.15,;.51,-.38,;-.82,-1.15,;-2.15,-.38,;1.85,-1.15,;1.85,-2.69,;3.18,-3.47,;3.18,-5,;1.85,-5.78,;.51,-5,;-.82,-5.78,;-2.15,-5,;-2.15,-3.47,;-.82,-2.69,;.51,-3.47,;-3.49,-2.69,;-4.82,-3.47,;-6.15,-2.69,;-7.49,-3.47,;-6.15,-1.15,;-7.49,-.38,;-4.82,-.38,;-4.82,1.15,;-3.49,-1.15,;4.52,-2.69,;4.52,-1.15,;5.85,-3.46,;6.62,-2.13,;5.08,-4.8,;7.18,-4.23,)|
BDBM177566 COc1ccc2C(=O)N(Cc2c1)c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:27.29,wD:24.25,(-7.81,2.59,;-6.27,2.59,;-5.5,1.26,;-6.27,-.07,;-5.5,-1.41,;-3.96,-1.41,;-2.93,-2.55,;-3.33,-4.04,;-1.52,-1.93,;-1.69,-.39,;-3.19,-.07,;-3.96,1.26,;-.19,-2.7,;-.19,-4.24,;1.14,-5.01,;2.48,-4.24,;3.81,-5.01,;5.14,-4.24,;5.14,-2.7,;6.48,-1.92,;7.81,-2.69,;6.48,-.38,;3.81,-1.93,;3.81,-.39,;2.48,.38,;2.48,1.92,;1.14,2.7,;-.19,1.92,;-1.52,2.69,;-1.52,4.23,;-2.86,5,;-.19,5.01,;-.19,.38,;1.14,-.39,;2.48,-2.7,;1.14,-1.92,)|
BDBM177567 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM177051 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)nc1
BDBM177052 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(C)=O |r,wU:7.10,wD:4.3,(-3.33,5,;-2,4.23,;-.67,5.01,;-2,2.69,;-.67,1.92,;-.67,.38,;.67,-.39,;2,.38,;2,1.92,;.67,2.7,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;4.67,-4.24,;3.33,-5.01,;2,-4.24,;.67,-5.01,;-.67,-4.24,;-.67,-2.7,;.67,-1.92,;2,-2.7,;-2,-1.93,;-2,-.39,;-3.33,.39,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-6,.38,;-7.34,1.15,;6,-1.92,;7.34,-2.69,;6,-.38,)|
BDBM177053 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CN4CCCC4)cc3)c2c1
BDBM177054 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5.01,;-2.67,2.69,;-1.33,1.92,;-1.33,.38,;,-.39,;1.33,.38,;1.33,1.92,;,2.7,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.92,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.39,;-4,1.93,;-2.67,-.39,;5.33,-1.92,;6.67,-2.69,;4.56,-.59,;6.1,-.59,)|
BDBM177055 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.92,;6.67,-2.69,;4.56,-.59,;6.1,-.59,)|
BDBM177080 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C#N |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-1.38,)|
BDBM177081 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C#N)c(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:21.21,wD:24.28,(-7.34,-2.15,;-6,-2.92,;-4.67,-2.15,;-3.33,-2.92,;-2,-2.15,;-2,-.61,;-3.33,.16,;-3.33,1.7,;-4.67,-.61,;-6,.16,;-.67,-2.92,;-.67,-4.46,;.67,-5.23,;2,-4.46,;3.33,-5.23,;4.67,-4.46,;4.67,-2.92,;6,-2.15,;7.34,-1.38,;3.33,-2.15,;3.33,-.61,;2.25,.48,;.76,.08,;-.33,1.17,;.07,2.66,;1.55,3.05,;2.64,1.96,;-1.02,3.74,;-.62,5.23,;-2.51,3.35,;2,-2.92,;.67,-2.15,)|
BDBM177082 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(Cl)c(O)cc1C)C(=O)C1CC1
BDBM177083 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc2cc(O)ccc2c1)C(=O)C1CC1
BDBM177084 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(NCCN4CCOCC4)nc3)c2c1
BDBM177085 CN(C)CCNC(=O)c1ccc(cc1)-c1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177471 CN1CCN(CC1)c1ccc(Nc2c(C(C)=O)c(C)nc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)cn1
BDBM177472 CN1CCN(CC1)c1ccc(Nc2c(C(C)=O)c(C)nc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)cn1
BDBM177473 CN1CCN(CC1)c1ccc(Nc2c(cnc3cc(c(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(F)(F)F)C(=O)C2CC2)cn1
BDBM177474 CN1CCN(CC1)c1ccc(Nc2c(cnc3cc(c(cc23)-c2cc(F)c(O)c(Cl)c2)C(F)(F)F)C(=O)C2CC2)cn1
BDBM177475 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(c(cc12)-c1cc(F)c(O)c(Cl)c1)C(F)(F)F)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.66,;-3.44,4.89,;-2.1,5.66,;-3.44,3.35,;-2.1,2.58,;-.77,3.35,;.56,2.58,;.56,1.04,;-.77,.27,;-2.1,1.04,;1.9,.27,;1.9,-1.25,;3.23,-2.02,;3.23,-3.56,;1.9,-4.33,;.56,-3.56,;-.77,-4.33,;-2.1,-3.56,;-2.1,-2.02,;-.77,-1.25,;.56,-2.02,;-3.44,-1.25,;-4.77,-2.02,;-6.1,-1.25,;-7.44,-2.02,;-6.1,.29,;-7.44,1.06,;-4.77,1.06,;-4.77,2.41,;-3.44,.29,;-3.44,-4.33,;-4.21,-2.99,;-2.67,-5.66,;-4.77,-5.1,;4.56,-1.25,;4.56,.29,;5.9,-2.02,;6.67,-3.35,;7.44,-2.02,)|
BDBM177498 CN(C)C(=O)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-2.52,5.78,;-1.44,4.7,;.05,5.09,;-1.83,3.21,;-3.32,2.81,;-.75,2.12,;.74,2.52,;1.83,1.43,;1.43,-.06,;-.05,-.46,;-1.14,.63,;2.52,-1.15,;2.52,-2.66,;3.86,-3.43,;3.86,-4.97,;2.52,-5.74,;1.19,-4.97,;-.15,-5.74,;-1.48,-4.97,;-1.48,-3.43,;-.15,-2.66,;1.19,-3.43,;-2.81,-2.66,;-2.81,-1.12,;-4.15,-.35,;-4.15,.99,;-5.48,-1.12,;-6.81,-.35,;-5.48,-2.66,;-6.81,-3.43,;-4.15,-3.43,;5.19,-2.66,;6.52,-3.43,;5.19,-1.12,)|
BDBM177499 CN1CCN(CC1)c1ccc(Nc2c(cnc3cc(C)c(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177500 CC(=O)c1cnc2ccc(cc2c1Nc1cnc(C)c(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
BDBM177501 CCN(CC)CCO[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-1.47,5.39,;-2.8,6.16,;-4.13,5.39,;-5.47,6.16,;-6.8,5.39,;-4.13,3.85,;-2.8,3.08,;-2.8,1.54,;-1.47,.77,;-1.47,-.77,;-.13,-1.54,;1.2,-.77,;1.2,.77,;-.13,1.54,;2.53,-1.54,;2.53,-3.05,;3.87,-3.82,;3.87,-5.36,;2.53,-6.13,;1.2,-5.36,;-.13,-6.13,;-1.47,-5.36,;-1.47,-3.82,;-.13,-3.05,;1.2,-3.82,;-2.8,-3.05,;-2.8,-1.51,;-4.13,-.74,;-4.13,.6,;-5.47,-1.51,;-6.8,-.74,;-5.47,-3.05,;-6.8,-3.82,;-4.13,-3.82,;5.2,-3.05,;6.53,-3.82,;5.2,-1.51,)|
BDBM177502 CCN(CC)CCO[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-1.47,5.39,;-2.8,6.16,;-4.13,5.39,;-5.47,6.16,;-6.8,5.39,;-4.13,3.85,;-2.8,3.08,;-2.8,1.54,;-1.47,.77,;-1.47,-.77,;-.13,-1.54,;1.2,-.77,;1.2,.77,;-.13,1.54,;2.53,-1.54,;2.53,-3.05,;3.87,-3.82,;3.87,-5.36,;2.53,-6.13,;1.2,-5.36,;-.13,-6.13,;-1.47,-5.36,;-1.47,-3.82,;-.13,-3.05,;1.2,-3.82,;-2.8,-3.05,;-2.8,-1.51,;-4.13,-.74,;-4.13,.6,;-5.47,-1.51,;-6.8,-.74,;-5.47,-3.05,;-6.8,-3.82,;-4.13,-3.82,;5.2,-3.05,;6.53,-3.82,;5.2,-1.51,)|
BDBM177519 C[C@H](N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,1.1,wD:6.5,(-.25,3.49,;-1.58,4.26,;-1.18,5.75,;-2.92,3.49,;-4.25,4.26,;-2.92,1.95,;-1.58,1.18,;-1.58,-.36,;-.25,-1.13,;1.08,-.36,;1.08,1.18,;-.25,1.95,;2.42,-1.13,;2.42,-2.67,;3.75,-3.44,;3.75,-4.98,;2.42,-5.75,;1.08,-4.98,;-.25,-5.75,;-1.58,-4.98,;-1.58,-3.44,;-.25,-2.67,;1.08,-3.44,;-2.92,-2.67,;-2.92,-1.13,;-4.25,-.36,;-4.25,.99,;-5.58,-1.13,;-6.92,-.36,;-5.58,-2.67,;-6.92,-3.44,;-4.25,-3.44,;5.09,-2.67,;6.42,-3.44,;5.09,-1.13,)|
BDBM177520 CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177521 CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1ccc(cc1)-c1ccc(O)cc1
BDBM177522 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177523 CS(=O)(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(5.87,-4.06,;5.1,-2.72,;4.33,-1.39,;6.44,-1.95,;3.77,-3.49,;3.77,-5.03,;2.44,-5.8,;1.1,-5.03,;-.23,-5.8,;-1.56,-5.03,;-1.56,-3.49,;-.23,-2.72,;1.1,-3.49,;2.44,-2.72,;2.44,-1.18,;1.1,-.41,;1.1,1.13,;-.23,1.9,;-1.56,1.13,;-2.9,1.9,;-2.9,3.44,;-1.65,4.34,;-2.13,5.8,;-3.67,5.8,;-4.14,4.34,;-1.56,-.41,;-.23,-1.18,;-2.9,-2.72,;-2.9,-1.18,;-4.23,-.41,;-4.23,.93,;-5.56,-1.18,;-6.9,-.41,;-5.56,-2.72,;-6.9,-3.49,;-4.23,-3.49,)|
BDBM177546 CS(=O)(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177547 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](N)C(C)(C)C)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.22,23.26,(6.44,-3.46,;5.1,-2.69,;5.1,-1.15,;3.77,-3.47,;3.77,-5,;2.44,-5.78,;1.1,-5,;-.23,-5.78,;-1.56,-5,;-1.56,-3.47,;-.23,-2.69,;1.1,-3.47,;2.44,-2.69,;2.44,-1.15,;1.1,-.38,;-.23,-1.15,;-1.56,-.38,;-1.56,1.15,;-.23,1.93,;1.1,1.15,;-2.9,1.93,;-2.9,3.47,;-1.56,4.24,;-4.23,4.23,;-4.23,5.78,;-5.56,3.47,;-6.33,4.8,;-4.79,2.13,;-6.9,2.7,;-2.9,-2.69,;-4.23,-3.47,;-5.56,-2.69,;-6.9,-3.47,;-5.56,-1.15,;-6.9,-.38,;-4.23,-.38,;-4.23,1.15,;-2.9,-1.15,)|
BDBM177548 CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-6.9,4.24,;-5.56,3.47,;-5.56,1.93,;-4.23,4.23,;-4.23,5.78,;-2.9,3.47,;-1.56,4.24,;-2.9,1.93,;-1.56,1.15,;-1.56,-.38,;-.23,-1.15,;1.1,-.38,;1.1,1.15,;-.23,1.93,;2.44,-1.15,;2.44,-2.69,;3.77,-3.47,;3.77,-5,;2.44,-5.78,;1.1,-5,;-.23,-5.78,;-1.56,-5,;-1.56,-3.47,;-.23,-2.69,;1.1,-3.47,;-2.9,-2.69,;-4.23,-3.47,;-5.56,-2.69,;-6.9,-3.47,;-5.56,-1.15,;-6.9,-.38,;-4.23,-.38,;-4.23,1.15,;-2.9,-1.15,;5.1,-2.69,;6.44,-3.46,;5.1,-1.15,)|
BDBM177549 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CCCC3)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:29.31,wD:26.27,(-8.68,-1.93,;-7.35,-2.7,;-6.02,-1.93,;-4.68,-2.7,;-3.35,-1.93,;-3.35,-.39,;-4.68,.38,;-4.68,1.92,;-6.02,-.39,;-7.35,.39,;-2.02,-2.7,;-2.02,-4.24,;-.68,-5.01,;.65,-4.24,;1.99,-5.01,;3.32,-4.24,;3.32,-2.7,;4.65,-1.92,;4.65,-.38,;5.99,-2.69,;5.99,-4.23,;7.45,-4.71,;8.36,-3.46,;7.45,-2.22,;1.99,-1.93,;1.99,-.39,;.65,.38,;.65,1.92,;-.68,2.7,;-2.02,1.92,;-3.35,2.69,;-3.35,4.23,;-4.68,5,;-2.02,5.01,;-2.02,.38,;-.68,-.39,;.65,-2.7,;-.68,-1.92,)|
BDBM177568 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)cc1)C(C)=O |r,wU:4.3,wD:7.10,(-4.13,5,;-2.79,4.23,;-1.46,5.01,;-2.79,2.69,;-1.46,1.92,;-.13,2.7,;1.21,1.92,;1.21,.38,;-.13,-.39,;-1.46,.38,;2.54,-.39,;2.54,-1.93,;3.88,-2.7,;3.88,-4.24,;2.54,-5.01,;1.21,-4.24,;-.13,-5.01,;-1.46,-4.24,;-1.46,-2.7,;-.13,-1.92,;1.21,-2.7,;-2.79,-1.93,;-2.79,-.39,;-4.13,.38,;-5.46,-.39,;-6.79,.39,;-5.46,-1.93,;-4.13,-2.69,;5.21,-1.92,;6.54,-2.69,;5.21,-.38,)|
BDBM177569 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.63,4.49,;-1.54,3.4,;-.06,3.8,;1.03,2.71,;.63,1.22,;-.85,.82,;-1.94,1.91,;1.72,.13,;1.72,-1.41,;3.06,-2.18,;3.06,-3.72,;1.72,-4.49,;.39,-3.72,;-.94,-4.49,;-2.28,-3.72,;-2.28,-2.18,;-.94,-1.41,;.39,-2.18,;-3.61,-1.41,;-3.61,.13,;-4.94,.9,;-4.94,2.44,;-6.28,.13,;-7.61,.9,;-6.28,-1.41,;-7.61,-2.18,;-4.94,-2.18,;4.39,-1.41,;4.39,.13,;5.72,-2.18,;6.49,-3.51,;7.26,-2.18,)|
BDBM177570 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.08,-1.41,;5.75,-2.18,;5.75,-3.72,;4.42,-1.41,;4.42,.13,;3.08,-2.18,;3.08,-3.72,;1.75,-4.49,;.41,-3.72,;-.92,-4.49,;-2.25,-3.72,;-2.25,-2.18,;-.92,-1.41,;.41,-2.18,;1.75,-1.41,;1.75,.13,;.66,1.22,;1.06,2.71,;-.03,3.8,;-1.52,3.4,;-2.61,4.49,;-1.92,1.91,;-.83,.82,;-3.59,-1.41,;-3.59,.13,;-4.92,.9,;-4.92,2.44,;-6.25,.13,;-7.59,.9,;-6.25,-1.41,;-7.59,-2.18,;-4.92,-2.18,)|
BDBM177571 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(F)c1 |r,wU:19.21,wD:16.17,(7.08,-1.41,;5.75,-2.18,;5.75,-3.72,;4.42,-1.41,;4.42,.13,;3.08,-2.18,;3.08,-3.72,;1.75,-4.49,;.41,-3.72,;-.92,-4.49,;-2.25,-3.72,;-2.25,-2.18,;-.92,-1.41,;.41,-2.18,;1.75,-1.41,;1.75,.13,;.66,1.22,;1.06,2.71,;-.03,3.8,;-1.52,3.4,;-2.61,4.49,;-1.92,1.91,;-.83,.82,;-3.59,-1.41,;-3.59,.13,;-4.92,.9,;-4.92,2.44,;-6.25,.13,;-7.59,.9,;-6.25,-1.41,;-7.59,-2.18,;-4.92,-2.18,)|
BDBM177572 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.47,-2.18,;5.14,-1.41,;5.14,.13,;3.8,-2.18,;3.8,-3.72,;2.47,-4.49,;1.14,-3.72,;-.2,-4.49,;-1.53,-3.72,;-1.53,-2.18,;-.2,-1.41,;1.14,-2.18,;2.47,-1.41,;2.47,.13,;1.38,1.22,;1.78,2.71,;.69,3.8,;-.8,3.4,;-1.89,4.49,;-1.2,1.91,;-.11,.82,;-2.87,-1.41,;-4.2,-2.18,;-5.53,-1.41,;-6.87,-2.18,;-5.53,.13,;-6.87,.9,;-4.2,.9,;-4.2,2.44,;-2.87,.13,)|
BDBM176713 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:26.28,wD:23.24,(-8.11,-.77,;-6.77,-1.54,;-5.44,-.77,;-4.1,-1.54,;-2.77,-.77,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-6.77,1.54,;-1.44,-1.54,;-1.44,-3.08,;-.1,-3.85,;1.23,-3.08,;2.56,-3.85,;3.9,-3.08,;3.9,-1.54,;5.23,-.77,;5.23,.77,;6.57,-1.54,;7.34,-2.87,;8.11,-1.54,;2.56,-.77,;2.56,.77,;1.23,1.54,;1.23,3.08,;-.1,3.85,;-1.44,3.08,;-2.77,3.85,;-1.44,1.54,;-.1,.77,;1.23,-1.54,;-.1,-.77,)|
BDBM176748 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc2[nH]cnc2c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.92,3.85,;-1.59,3.08,;-.25,3.85,;1.08,3.08,;1.08,1.54,;-.25,.77,;-1.59,1.54,;2.42,.77,;2.42,-.77,;3.75,-1.54,;3.75,-3.08,;2.42,-3.85,;1.08,-3.08,;-.25,-3.85,;-1.59,-3.08,;-1.59,-1.54,;-.25,-.77,;1.08,-1.54,;-2.92,-.77,;-2.92,.77,;-4.25,1.54,;-5.59,.77,;-7.05,1.25,;-7.96,,;-7.05,-1.25,;-5.59,-.77,;-4.25,-1.54,;5.08,-.77,;5.08,.77,;6.42,-1.54,;7.19,-2.87,;7.96,-1.54,)|
BDBM50043333 Fc1ccc(cc1)C(=O)Nc1ccc2CCNCc2c1
BDBM50043341 COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
BDBM177373 CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-5.33,3.59,;-4,4.36,;-4,5.9,;-2.67,3.59,;-2.67,2.05,;-1.33,1.28,;,2.05,;1.33,1.28,;1.33,-.26,;,-1.03,;-1.33,-.26,;2.67,-1.03,;2.67,-2.82,;4,-3.59,;4,-5.13,;2.67,-5.9,;1.33,-5.13,;,-5.9,;-1.33,-5.13,;-1.33,-3.59,;,-2.82,;1.33,-3.59,;-2.67,-2.82,;-2.67,-1.28,;-4,-.51,;-4,1.03,;-5.33,-1.28,;-6.67,-.51,;-5.33,-2.82,;-6.67,-3.59,;-4,-3.59,;5.33,-2.82,;6.67,-3.59,;5.33,-1.28,)|
BDBM177375 CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-5.33,3.59,;-4,4.36,;-4,5.9,;-2.67,3.59,;-2.67,2.05,;-1.33,1.28,;,2.05,;1.33,1.28,;1.33,-.26,;,-1.03,;-1.33,-.26,;2.67,-1.03,;2.67,-2.82,;4,-3.59,;4,-5.13,;2.67,-5.9,;1.33,-5.13,;,-5.9,;-1.33,-5.13,;-1.33,-3.59,;,-2.82,;1.33,-3.59,;-2.67,-2.82,;-2.67,-1.28,;-4,-.51,;-4,1.03,;-5.33,-1.28,;-6.67,-.51,;-5.33,-2.82,;-6.67,-3.59,;-4,-3.59,;5.33,-2.82,;6.67,-3.59,;5.33,-1.28,)|
BDBM177247 CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177008 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177034 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cc1
BDBM177399 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:3.2,wD:6.9,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;.89,3.05,;1.98,1.96,;1.58,.48,;.09,.08,;-1,1.17,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM177218 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-6.1,-2.72,;-7.44,-3.49,;-4.77,-3.49,;-3.44,-2.72,;-3.44,-1.18,;-4.77,-.41,;-4.77,1.13,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)|
BDBM177431 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CCN4CCCC4)c3)c2c1
BDBM177221 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-4.77,-.41,;-4.77,1.13,;-3.44,-1.18,;-3.44,-2.72,;-4.77,-3.49,;-6.1,-2.72,;-7.44,-3.49,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)|
BDBM177433 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CCN4CCCC4)c3)c2c1
BDBM176792 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)cc1Cl)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.46,4.49,;-1.37,3.4,;.12,3.8,;1.21,2.71,;.81,1.22,;-.68,.82,;-1.77,1.91,;1.9,.13,;1.9,-1.41,;3.23,-2.18,;3.23,-3.72,;1.9,-4.49,;.56,-3.72,;-.77,-4.49,;-2.1,-3.72,;-2.1,-2.18,;-.77,-1.41,;.56,-2.18,;-3.44,-1.41,;-3.44,.13,;-4.77,.9,;-4.77,2.44,;-6.1,.13,;-7.44,.9,;-6.1,-1.41,;-4.77,-2.18,;-4.77,-3.72,;4.56,-1.41,;4.56,.13,;5.9,-2.18,;6.67,-3.51,;7.44,-2.18,)|
BDBM176825 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1 |(-3.15,5.78,;-2.06,4.69,;-2.46,3.2,;-3.95,2.8,;-5.03,3.89,;-1.37,2.11,;-1.77,.62,;-.68,-.47,;.81,-.07,;1.21,1.42,;.12,2.51,;1.9,-1.16,;1.9,-2.7,;3.23,-3.47,;3.23,-5.01,;1.9,-5.78,;.56,-5.01,;-.77,-5.78,;-2.1,-5.01,;-2.1,-3.47,;-.77,-2.7,;.56,-3.47,;-3.44,-2.7,;-3.44,-1.16,;-4.77,-.39,;-6.1,-1.16,;-7.44,-.39,;-6.1,-2.7,;-7.44,-3.47,;-4.77,-3.47,;4.56,-2.7,;4.56,-1.16,;5.9,-3.47,;6.67,-4.8,;7.44,-3.47,)|
BDBM176826 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)c(OC)c1)C(=O)C1CC1 |(-2.48,5.78,;-1.39,4.69,;-1.79,3.2,;-3.28,2.8,;-4.37,3.89,;-.7,2.11,;-1.1,.62,;-.01,-.47,;1.48,-.07,;1.87,1.42,;.78,2.51,;2.56,-1.16,;2.56,-2.7,;3.9,-3.47,;3.9,-5.01,;2.56,-5.78,;1.23,-5.01,;-.1,-5.78,;-1.44,-5.01,;-1.44,-3.47,;-.1,-2.7,;1.23,-3.47,;-2.77,-2.7,;-2.77,-1.16,;-4.1,-.39,;-5.44,-1.16,;-6.77,-.39,;-5.44,-2.7,;-6.77,-3.47,;-8.11,-2.7,;-4.1,-3.47,;5.23,-2.7,;5.23,-1.16,;6.57,-3.47,;7.34,-4.8,;8.11,-3.47,)|
BDBM176892 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(F)c1 |r,wU:17.19,wD:14.15,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;1.98,2.71,;.89,3.8,;-.6,3.4,;-1.69,4.49,;-1,1.91,;.09,.82,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-4,2.44,;-5.33,.13,;-6.67,.9,;-5.33,-1.41,;-6.67,-2.18,;-4,-2.18,)|
BDBM176893 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-1.41,;-6,-2.18,;-4.67,-1.41,;-3.33,-2.18,;-2,-1.41,;-2,.13,;-3.33,.9,;-3.33,2.44,;-4.67,.13,;-6,.9,;-.67,-2.18,;-.67,-3.72,;.67,-4.49,;2,-3.72,;3.33,-4.49,;4.67,-3.72,;4.67,-2.18,;6,-1.41,;7.34,-2.18,;6,.13,;3.33,-1.41,;3.33,.13,;2.25,1.22,;2.64,2.71,;1.55,3.8,;.07,3.4,;-1.02,4.49,;-.33,1.91,;.76,.82,;2,-2.18,;.67,-1.41,)|
BDBM176896 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)CC(C)C)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:28.29,wD:25.25,(-8.67,-1.41,;-7.34,-2.18,;-6,-1.41,;-4.67,-2.18,;-3.33,-1.41,;-3.33,.13,;-4.67,.9,;-4.67,2.44,;-6,.13,;-7.34,.9,;-2,-2.18,;-2,-3.72,;-.67,-4.49,;.67,-3.72,;2,-4.49,;3.33,-3.72,;3.33,-2.18,;4.67,-1.41,;4.67,.13,;6,-2.18,;7.34,-1.41,;8.67,-2.18,;7.34,.13,;2,-1.41,;2,.13,;.91,1.22,;1.31,2.71,;.22,3.8,;-1.27,3.4,;-2.36,4.49,;-1.66,1.91,;-.58,.82,;.67,-2.18,;-.67,-1.41,)|
BDBM176948 CCN(CC)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |r,wU:8.11,wD:5.4,(-4.37,3.89,;-3.28,2.8,;-1.79,3.2,;-1.39,4.69,;-2.48,5.78,;-.7,2.11,;-1.1,.62,;-.01,-.47,;1.48,-.07,;1.87,1.42,;.78,2.51,;2.56,-1.16,;2.56,-2.7,;3.9,-3.47,;3.9,-5.01,;2.56,-5.78,;1.23,-5.01,;-.1,-5.78,;-1.44,-5.01,;-1.44,-3.47,;-.1,-2.7,;1.23,-3.47,;-2.77,-2.7,;-2.77,-1.16,;-4.1,-.39,;-4.1,1.15,;-5.44,-1.16,;-6.77,-.39,;-5.44,-2.7,;-6.77,-3.47,;-8.11,-2.7,;-4.1,-3.47,;5.23,-2.7,;5.23,-1.16,;6.57,-3.47,;7.34,-4.8,;8.11,-3.47,)|
BDBM176949 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:28.33,wD:25.26,(-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-5.44,-1.54,;-6.77,-.77,;-1.44,-3.85,;-1.44,-5.39,;-.1,-6.16,;1.23,-5.39,;2.56,-6.16,;3.9,-5.39,;3.9,-3.85,;5.23,-3.08,;5.23,-1.54,;6.57,-3.85,;7.34,-5.18,;8.11,-3.85,;2.56,-3.08,;2.56,-1.54,;1.23,-.77,;1.23,.77,;2.56,1.54,;2.56,3.08,;1.23,3.85,;-.1,3.08,;-.1,1.54,;1.23,5.39,;-.1,6.16,;2.56,6.16,;1.23,-3.85,;-.1,-3.08,)|
BDBM176950 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:27.29,wD:24.25,(-8.11,-1.92,;-6.77,-2.69,;-5.44,-1.93,;-4.1,-2.69,;-2.77,-1.93,;-2.77,-.38,;-4.1,.39,;-4.1,1.93,;-5.44,-.38,;-6.77,.38,;-1.44,-2.69,;-1.44,-4.23,;-.1,-5,;1.23,-4.23,;2.56,-5,;3.9,-4.23,;3.9,-2.69,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.38,;1.23,.38,;1.23,1.93,;-.1,2.7,;-1.44,1.93,;-2.77,2.69,;-2.77,4.23,;-4.1,5,;-1.44,5,;-1.44,.38,;-.1,-.38,;1.23,-2.69,;-.1,-1.92,)|
BDBM176952 CC(C)C(=O)c1cnc2ccc(cc2c1N1CCC(CN2CCCC2)CC1)-c1ccc(O)c(Cl)c1
BDBM176979 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM176981 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM176982 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)CC(C)C)c(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:25.25,wD:28.32,(-8.67,-2.15,;-7.34,-2.92,;-6,-2.15,;-4.67,-2.92,;-3.33,-2.15,;-3.33,-.61,;-4.67,.16,;-4.67,1.7,;-6,-.61,;-7.34,.16,;-2,-2.92,;-2,-4.46,;-.67,-5.23,;.67,-4.46,;2,-5.23,;3.33,-4.46,;3.33,-2.92,;4.67,-2.15,;4.67,-.61,;6,-2.92,;7.34,-2.15,;8.67,-2.92,;7.34,-.61,;2,-2.15,;2,-.61,;.91,.48,;-.58,.08,;-1.66,1.17,;-1.27,2.66,;.22,3.05,;1.31,1.96,;-2.36,3.74,;-1.96,5.23,;-3.84,3.35,;.67,-2.92,;-.67,-2.15,)|
BDBM176983 CN1CCN(CC1)C1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM176984 CN1CCN(CC1)C1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1
BDBM177018 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CCCC1
BDBM177019 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CCCC1 |(-5.45,3.89,;-4.36,2.8,;-2.87,3.2,;-2.47,4.69,;-3.56,5.78,;-1.78,2.11,;-.3,2.51,;.79,1.42,;.39,-.07,;-1.09,-.47,;-2.18,.62,;1.48,-1.16,;1.48,-2.7,;2.82,-3.47,;2.82,-5.01,;1.48,-5.78,;.15,-5.01,;-1.18,-5.78,;-2.52,-5.01,;-2.52,-3.47,;-1.18,-2.7,;.15,-3.47,;-3.85,-2.7,;-5.19,-3.47,;-6.52,-2.7,;-6.52,-1.16,;-7.85,-.39,;-5.19,-.39,;-5.19,1.15,;-3.85,-1.16,;4.15,-2.7,;4.15,-1.16,;5.48,-3.47,;5.48,-5.01,;6.95,-5.48,;7.85,-4.24,;6.95,-2.99,)|
BDBM177086 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(CN4CCCC4)cc3)c2c1
BDBM177087 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc2[nH]ccc2c1)C(=O)C1CC1
BDBM177088 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(c1)C(F)(F)F)C(=O)C1CC1
BDBM177089 CN(C)CC(=O)N1CC2CC1CN2c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |TLB:4:6:12.11:9,13:12:7.6:9|
BDBM177208 NC1CCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177209 NC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177212 COc1cc(cc(Cl)c1O)-c1cc2c(Nc3ccc(nc3)N3CCNCC3)c(cnc2cc1F)C(=O)C1CC1
BDBM177213 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
BDBM177234 OC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:9.12,wD:6.5,(-1.9,6.47,;-2.67,5.14,;-4.21,5.14,;-4.68,3.67,;-3.44,2.77,;-3.44,1.23,;-2.1,.46,;-2.1,-1.08,;-.77,-1.85,;.56,-1.08,;.56,.46,;-.77,1.23,;1.9,-1.85,;1.9,-3.39,;3.23,-4.16,;3.23,-5.7,;1.9,-6.47,;.56,-5.7,;-.77,-6.47,;-2.1,-5.7,;-2.1,-4.16,;-.77,-3.39,;.56,-4.16,;-3.44,-3.39,;-4.77,-4.16,;-6.1,-3.39,;-7.44,-4.16,;-6.1,-1.85,;-7.44,-1.08,;-4.77,-1.08,;-4.77,.46,;-3.44,-1.85,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;-2.19,3.67,)|
BDBM177237 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cc3)C(C)(C)N)c2c1
BDBM177238 CC(C)(N)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177239 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,;4,-1.02,;2.67,-3.33,;2.67,-4.87,;1.33,-5.64,;,-4.87,;-1.33,-5.64,;-2.67,-4.87,;-2.67,-3.33,;-1.33,-2.56,;,-3.33,;1.33,-2.56,;1.33,-1.02,;.24,.07,;.64,1.55,;-.45,2.64,;-1.93,2.24,;-3.02,3.33,;-3.02,4.87,;-1.69,5.64,;-4.36,5.64,;-2.33,.76,;-1.24,-.33,;-4,-2.56,;-5.33,-3.33,;-6.67,-2.56,;-8,-3.33,;-6.67,-1.02,;-8,-.25,;-5.33,-.25,;-5.33,1.29,;-4,-1.02,)|
BDBM177256 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CN(C)C)c3)c2c1
BDBM177257 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(F)c(O)c(Cl)c1
BDBM177258 CN(C)Cc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)c1
BDBM177259 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177260 NC1CCCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177261 COC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:10.13,wD:7.6,(-4.21,7.14,;-4.98,5.8,;-4.21,4.47,;-2.67,4.47,;-2.19,3.01,;-3.44,2.1,;-3.44,.56,;-2.1,-.21,;-2.1,-1.75,;-.77,-2.52,;.56,-1.75,;.56,-.21,;-.77,.56,;1.9,-2.52,;1.9,-4.06,;3.23,-4.83,;3.23,-6.37,;1.9,-7.14,;.56,-6.37,;-.77,-7.14,;-2.1,-6.37,;-2.1,-4.83,;-.77,-4.06,;.56,-4.83,;-3.44,-4.06,;-3.44,-2.52,;-4.77,-1.75,;-4.77,-.21,;-6.1,-2.52,;-7.44,-1.75,;-6.1,-4.06,;-7.44,-4.83,;-4.77,-4.83,;4.56,-4.06,;4.56,-2.52,;5.9,-4.83,;6.67,-6.16,;7.44,-4.83,;-4.68,3.01,)|
BDBM177271 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCN(C)CC4)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-3.85,;-6.77,-4.62,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-4.1,-1.54,;-4.1,,;-5.44,-2.31,;-6.77,-1.54,;-1.44,-4.62,;-1.44,-6.16,;-.1,-6.93,;1.23,-6.16,;2.56,-6.93,;3.9,-6.16,;3.9,-4.62,;5.23,-3.85,;5.23,-2.31,;6.57,-4.62,;7.34,-5.95,;8.11,-4.62,;2.56,-3.85,;2.56,-2.31,;1.23,-1.54,;-.1,-2.31,;-1.44,-1.54,;-1.44,,;-2.77,.77,;-2.77,2.31,;-1.44,3.08,;-1.44,4.62,;-2.77,5.39,;-2.77,6.93,;-4.1,4.62,;-4.1,3.08,;-.1,.77,;1.23,,;1.23,-4.62,;-.1,-3.85,)|
BDBM177272 CC1(N)CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |(-2.86,3.6,;-1.37,3.2,;-1.77,4.69,;.12,3.6,;1.21,2.51,;.81,1.02,;-.68,.62,;-1.77,1.71,;1.9,-.07,;1.9,-1.61,;3.23,-2.38,;3.23,-3.92,;1.9,-4.69,;.56,-3.92,;-.77,-4.69,;-2.1,-3.92,;-2.1,-2.38,;-.77,-1.61,;.56,-2.38,;-3.44,-1.61,;-4.77,-2.38,;-6.1,-1.61,;-7.44,-2.38,;-6.1,-.07,;-7.44,.7,;-4.77,.7,;-4.77,2.24,;-3.44,-.07,;4.56,-1.61,;4.56,-.07,;5.9,-2.38,;6.67,-3.71,;7.44,-2.38,)|
BDBM177273 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(C)(N)CC3)c2c1 |(-8.11,-1.61,;-6.77,-2.38,;-5.44,-1.61,;-4.1,-2.38,;-2.77,-1.61,;-2.77,-.07,;-4.1,.7,;-4.1,2.24,;-5.44,-.07,;-6.77,.7,;-1.44,-2.38,;-1.44,-3.92,;-.1,-4.69,;1.23,-3.92,;2.56,-4.69,;3.9,-3.92,;3.9,-2.38,;5.23,-1.61,;5.23,-.07,;6.57,-2.38,;7.34,-3.71,;8.11,-2.38,;2.56,-1.61,;2.56,-.07,;1.48,1.02,;1.87,2.51,;.78,3.6,;-.7,3.2,;-2.19,3.6,;-1.1,4.69,;-1.1,1.71,;-.01,.62,;1.23,-2.38,;-.1,-1.61,)|
BDBM177274 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C(C)C)c(Nc3ccc(CN(C)C)cc3)c2c1
BDBM177275 CC(C)C(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
BDBM50043375 CCOc1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN
BDBM50043376 COc1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN
BDBM177020 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CCCC1 |(-5.45,3.89,;-4.36,2.8,;-2.87,3.2,;-2.47,4.69,;-3.56,5.78,;-1.78,2.11,;-.3,2.51,;.79,1.42,;.39,-.07,;-1.09,-.47,;-2.18,.62,;1.48,-1.16,;1.48,-2.7,;2.82,-3.47,;2.82,-5.01,;1.48,-5.78,;.15,-5.01,;-1.18,-5.78,;-2.52,-5.01,;-2.52,-3.47,;-1.18,-2.7,;.15,-3.47,;-3.85,-2.7,;-5.19,-3.47,;-6.52,-2.7,;-7.85,-3.47,;-6.52,-1.16,;-7.85,-.39,;-5.19,-.39,;-5.19,1.15,;-3.85,-1.16,;4.15,-2.7,;4.15,-1.16,;5.48,-3.47,;5.48,-5.01,;6.95,-5.48,;7.85,-4.24,;6.95,-2.99,)|
BDBM177021 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2ccc(O)c(Cl)c2)C(=O)C2CCCC2)cc1
BDBM177022 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CCCC2)cc1
BDBM177023 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CCCC1
BDBM177024 CN1CCN(CC1)C(=O)CNc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177025 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CN(C)C)cc3)c2c1
BDBM177056 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1)S(C)(=O)=O |r,wU:19.19,wD:22.23,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.92,;6,-1.92,;7.34,-2.69,;5.23,-.59,;6.77,-.59,)|
BDBM177057 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.92,;6.67,-2.69,;4.56,-.59,;6.1,-.59,)|
BDBM177058 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.92,;6.67,-2.69,;4.56,-.59,;6.1,-.59,)|
BDBM177059 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177060 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.1,5,;-2.77,4.23,;-1.44,5,;-2.77,2.69,;-1.44,1.93,;-.1,2.69,;1.23,1.93,;1.23,.38,;-.1,-.38,;-1.44,.38,;2.56,-.38,;2.56,-1.93,;3.9,-2.69,;3.9,-4.23,;2.56,-5,;1.23,-4.23,;-.1,-5,;-1.44,-4.23,;-1.44,-2.69,;-.1,-1.92,;1.23,-2.69,;-2.77,-1.93,;-4.1,-2.69,;-5.44,-1.93,;-5.44,-.38,;-4.1,.38,;-2.77,-.38,;-6.77,.38,;-8.11,1.15,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,)|
BDBM177090 COc1cc(cc(F)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CC4CC3CN4C(=O)CN(C)C)c2c1 |THB:30:29:23.24:26,22:23:28.29:26|
BDBM177192 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.8,wD:2.1,(-1.29,5.23,;-1.69,3.74,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM177193 Oc1c(Cl)cc(cc1Cl)-c1cc2c(Nc3ccc(nc3)N3CCNCC3)c(cnc2cc1F)C(=O)C1CC1
BDBM177194 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:5.8,wD:2.1,(-2.67,4.62,;-2.67,3.08,;-1.33,2.31,;-1.33,.77,;;1.33,.77,;1.33,2.31,;,3.08,;2.67,,;2.67,-1.54,;4,-2.31,;4,-3.85,;2.67,-4.62,;1.33,-3.85,;,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-5.33,,;-6.67,.77,;-4,.77,;-4,2.31,;-2.67,,;5.33,-1.54,;6.67,-2.31,;5.33,,)|
BDBM177214 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
BDBM177215 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCC(F)(F)C4)cc3)c2c1
BDBM177216 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCC(N)C3)c2c1
BDBM177217 CC1(CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1)N(CC=C)CC=C |(-2.86,1.77,;-1.37,1.37,;.12,1.77,;1.21,.68,;.81,-.81,;-.68,-1.21,;-1.77,-.12,;1.9,-1.9,;1.9,-3.44,;3.23,-4.21,;3.23,-5.75,;1.9,-6.52,;.56,-5.75,;-.77,-6.52,;-2.1,-5.75,;-2.1,-4.21,;-.77,-3.44,;.56,-4.21,;-3.44,-3.44,;-4.77,-4.21,;-6.1,-3.44,;-7.44,-4.21,;-6.1,-1.9,;-7.44,-1.13,;-4.77,-1.13,;-4.77,.41,;-3.44,-1.9,;4.56,-3.44,;4.56,-1.9,;5.9,-4.21,;6.67,-5.54,;7.44,-4.21,;-1.77,2.85,;-3.26,3.25,;-3.65,4.74,;-5.14,5.14,;-.68,3.94,;-1.08,5.43,;.01,6.52,)|
BDBM177276 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CC[C@@H](F)C3)c2c1 |r,wU:32.35,(-7.44,-.77,;-6.1,-1.54,;-6.1,-3.08,;-7.44,-3.85,;-4.77,-3.85,;-3.44,-3.08,;-3.44,-1.54,;-4.77,-.77,;-4.77,.77,;-2.1,-3.85,;-2.1,-5.39,;-.77,-6.16,;.56,-5.39,;1.9,-6.16,;3.23,-5.39,;3.23,-3.85,;4.56,-3.08,;4.56,-1.54,;5.9,-3.85,;6.67,-5.19,;7.44,-3.85,;1.9,-3.08,;1.9,-1.54,;.81,-.45,;1.21,1.03,;.12,2.12,;-1.37,1.72,;-1.77,.24,;-.68,-.85,;-2.46,2.81,;-3.92,2.34,;-4.83,3.58,;-3.92,4.83,;-4.69,6.16,;-2.46,4.35,;.56,-3.85,;-.77,-3.08,)|
BDBM177277 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CC[C@@H](F)C3)c2c1 |r,wU:32.35,(-7.44,-.77,;-6.1,-1.54,;-6.1,-3.08,;-7.44,-3.85,;-4.77,-3.85,;-3.44,-3.08,;-3.44,-1.54,;-4.77,-.77,;-4.77,.77,;-2.1,-3.85,;-2.1,-5.39,;-.77,-6.16,;.56,-5.39,;1.9,-6.16,;3.23,-5.39,;3.23,-3.85,;4.56,-3.08,;4.56,-1.54,;5.9,-3.85,;6.67,-5.19,;7.44,-3.85,;1.9,-3.08,;1.9,-1.54,;.81,-.45,;1.21,1.03,;.12,2.12,;-1.37,1.72,;-1.77,.24,;-.68,-.85,;-2.46,2.81,;-3.92,2.34,;-4.83,3.58,;-3.92,4.83,;-4.69,6.16,;-2.46,4.35,;.56,-3.85,;-.77,-3.08,)|
BDBM177278 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCCC(N)C3)c2c1
BDBM177279 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CC[C@@H](F)C3)c2c1 |r,wU:33.36,(-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-5.44,-1.54,;-6.77,-.77,;-1.44,-3.85,;-1.44,-5.39,;-.1,-6.16,;1.23,-5.39,;2.56,-6.16,;3.9,-5.39,;3.9,-3.85,;5.23,-3.08,;5.23,-1.54,;6.57,-3.85,;7.34,-5.19,;8.11,-3.85,;2.56,-3.08,;2.56,-1.54,;1.48,-.45,;1.87,1.03,;.78,2.12,;-.7,1.72,;-1.1,.24,;-.01,-.85,;-1.79,2.81,;-3.26,2.34,;-4.16,3.58,;-3.26,4.83,;-4.03,6.16,;-1.79,4.35,;1.23,-3.85,;-.1,-3.08,)|
BDBM177298 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CCC(F)(F)C3)c2c1 |(-7.44,-.85,;-6.1,-1.62,;-4.77,-.85,;-4.77,.69,;-3.44,-1.62,;-3.44,-3.16,;-4.77,-3.93,;-6.1,-3.16,;-7.44,-3.93,;-2.1,-3.93,;-2.1,-5.47,;-.77,-6.24,;.56,-5.47,;1.9,-6.24,;3.23,-5.47,;3.23,-3.93,;4.56,-3.16,;4.56,-1.62,;5.9,-3.93,;6.67,-5.26,;7.44,-3.93,;1.9,-3.16,;1.9,-1.62,;.81,-.53,;1.21,.96,;.12,2.05,;-1.37,1.65,;-1.77,.16,;-.68,-.93,;-2.46,2.74,;-3.92,2.26,;-4.83,3.51,;-3.92,4.75,;-5.01,5.84,;-3.52,6.24,;-2.46,4.28,;.56,-3.93,;-.77,-3.16,)|
BDBM177299 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCNC4)nc3)c2c1
BDBM177300 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCNC4)nc3)c2c1
BDBM177301 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCNC4)nc3)c2c1
BDBM177302 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCC(C4)N(C)C)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-4.01,;-6.77,-4.78,;-5.44,-4.01,;-4.1,-4.78,;-2.77,-4.01,;-2.77,-2.47,;-4.1,-1.7,;-4.1,-.16,;-5.44,-2.47,;-6.77,-1.7,;-1.44,-4.78,;-1.44,-6.32,;-.1,-7.09,;1.23,-6.32,;2.56,-7.09,;3.9,-6.32,;3.9,-4.78,;5.23,-4.01,;5.23,-2.47,;6.57,-4.78,;7.34,-6.12,;8.11,-4.78,;2.56,-4.01,;2.56,-2.47,;1.23,-1.7,;-.1,-2.47,;-1.44,-1.7,;-1.44,-.16,;-2.77,.61,;-2.77,2.15,;-1.52,3.05,;-2,4.52,;-3.54,4.52,;-4.02,3.05,;-4.63,5.61,;-4.23,7.09,;-6.12,5.21,;-.1,.61,;1.23,-.16,;1.23,-4.78,;-.1,-4.01,)|
BDBM177323 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC(C3)N(C)C)c2c1
BDBM177324 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177325 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177326 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CCN(C)C)c3)c2c1
BDBM177327 CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)c1
BDBM177357 NCCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177358 NCCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177359 NC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(F)c2)C(=O)C2CC2)cn1
BDBM177360 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCNCC3)c2c1
BDBM177361 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCNCC3)c2c1
BDBM177362 CN1CCN(C[C@@H]2CC[C@H](C2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r|
BDBM177385 CN(C)C[C@@H]1CCC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
BDBM177386 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@@H]3CCC[C@@H](CN(C)C)C3)c2c1 |r|
BDBM177387 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-4.28,;5.33,-3.51,;5.33,-1.97,;4,-4.28,;4,-5.82,;2.67,-6.59,;1.33,-5.82,;,-6.59,;-1.33,-5.82,;-1.33,-4.28,;,-3.51,;1.33,-4.28,;2.67,-3.51,;2.67,-1.73,;1.33,-.96,;1.33,.58,;,1.35,;-1.33,.58,;-2.67,1.35,;-2.67,2.89,;-3.91,3.79,;-3.44,5.26,;-1.9,5.26,;-1.13,6.59,;-1.42,3.79,;-1.33,-.96,;,-1.73,;-2.67,-3.51,;-2.67,-1.97,;-4,-1.2,;-4,.34,;-5.33,-1.97,;-6.67,-1.2,;-5.33,-3.51,;-6.67,-4.28,;-4,-4.28,)|
BDBM177388 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)N(C)C)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.23,wD:15.16,(7.34,-2.15,;6,-2.92,;4.67,-2.15,;4.67,-.61,;3.33,-2.92,;3.33,-4.46,;2,-5.23,;.67,-4.46,;-.67,-5.23,;-2,-4.46,;-2,-2.92,;-.67,-2.15,;.67,-2.92,;2,-2.15,;2,-.61,;.91,.48,;1.31,1.96,;.22,3.05,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;-2.36,3.74,;-1.96,5.23,;-3.84,3.35,;-3.33,-2.15,;-3.33,-.61,;-4.67,.16,;-4.67,1.7,;-6,-.61,;-7.34,.16,;-6,-2.15,;-7.34,-2.92,;-4.67,-2.92,)|
BDBM177389 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)N(C)C)-c1cc(Cl)c(O)c(OC)c1 |r,wU:18.23,wD:15.16,(8,-2.15,;6.67,-2.92,;5.33,-2.15,;5.33,-.61,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;2.67,-2.15,;2.67,-.61,;1.58,.48,;1.98,1.96,;.89,3.05,;-.6,2.66,;-1,1.17,;.09,.08,;-1.69,3.74,;-1.29,5.23,;-3.18,3.35,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-8,-2.15,;-4,-2.92,)|
BDBM177417 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.55,-3.97,;5.21,-3.2,;5.21,-1.66,;3.88,-3.97,;3.88,-5.51,;2.55,-6.28,;1.21,-5.51,;-.12,-6.28,;-1.46,-5.51,;-1.46,-3.97,;-.12,-3.2,;1.21,-3.97,;2.55,-3.2,;2.55,-1.42,;1.21,-.65,;-.12,-1.42,;-1.46,-.65,;-1.46,.89,;-2.79,1.66,;-2.79,3.2,;-1.46,3.97,;-1.46,5.51,;-2.79,6.28,;-4.12,5.51,;-4.12,3.97,;-.12,1.66,;1.21,.89,;-2.79,-3.2,;-2.79,-1.66,;-4.12,-.89,;-4.12,.65,;-5.46,-1.66,;-6.79,-.89,;-5.46,-3.2,;-6.79,-3.97,;-4.12,-3.97,)|
BDBM177418 CN(C)C[C@H]1C[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.8,wD:4.3,(-.55,4.9,;-1.89,4.13,;-3.22,4.9,;-1.89,2.59,;-.55,1.82,;-.15,.33,;1.33,.73,;.94,2.22,;2.67,-.04,;2.67,-1.82,;4,-2.59,;4,-4.13,;2.67,-4.9,;1.33,-4.13,;,-4.9,;-1.33,-4.13,;-1.33,-2.59,;,-1.82,;1.33,-2.59,;-2.67,-1.82,;-2.67,-.28,;-4,.49,;-4,2.03,;-5.33,-.28,;-6.67,.49,;-5.33,-1.82,;-6.67,-2.59,;-4,-2.59,;5.33,-1.82,;6.67,-2.59,;5.33,-.28,)|
BDBM177419 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177420 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC(N)C2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.52,-4.28,;5.19,-3.51,;5.19,-1.97,;3.86,-4.28,;3.86,-5.82,;2.52,-6.59,;1.19,-5.82,;-.15,-6.59,;-1.48,-5.82,;-1.48,-4.28,;-.15,-3.51,;1.19,-4.28,;2.52,-3.51,;2.52,-1.73,;1.19,-.96,;-.15,-1.73,;-1.48,-.96,;-1.48,.58,;-2.81,1.35,;-2.81,2.89,;-4.06,3.79,;-3.58,5.26,;-2.04,5.26,;-1.27,6.59,;-1.57,3.79,;-.15,1.35,;1.19,.58,;-2.81,-3.51,;-4.15,-4.28,;-5.48,-3.51,;-6.81,-4.28,;-5.48,-1.97,;-6.81,-1.2,;-4.15,-1.2,;-4.15,.34,;-2.81,-1.97,)|
BDBM177421 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCN(C)CC4)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.48,-3.96,;-6.15,-4.73,;-4.81,-3.96,;-3.48,-4.73,;-2.15,-3.96,;-2.15,-2.42,;-3.48,-1.65,;-3.48,-.11,;-4.81,-2.42,;-6.15,-1.65,;-.81,-4.73,;-.81,-6.27,;.52,-7.04,;1.85,-6.27,;3.19,-7.04,;4.52,-6.27,;4.52,-4.73,;5.86,-3.96,;7.19,-4.73,;5.86,-2.42,;3.19,-3.96,;3.19,-2.18,;1.85,-1.41,;.52,-2.18,;-.81,-1.41,;-.81,.13,;-2.15,.9,;-2.15,2.44,;-.81,3.21,;-.81,4.75,;-2.15,5.52,;-2.15,7.06,;-3.48,4.75,;-3.48,3.21,;.52,.9,;1.85,.13,;1.85,-4.73,;.52,-3.96,)|
BDBM177443 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCCC(N)C4)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.48,-3.06,;-6.15,-3.83,;-4.81,-3.06,;-3.48,-3.83,;-2.15,-3.06,;-2.15,-1.52,;-3.48,-.75,;-3.48,.79,;-4.81,-1.52,;-6.15,-.75,;-.81,-3.83,;-.81,-5.37,;.52,-6.14,;1.85,-5.37,;3.19,-6.14,;4.52,-5.37,;4.52,-3.83,;5.86,-3.06,;7.19,-3.83,;5.86,-1.52,;3.19,-3.06,;3.19,-1.52,;1.85,-.75,;.52,-1.52,;-.81,-.75,;-.81,.79,;-2.15,1.56,;-2.15,3.1,;-3.48,3.87,;-3.48,5.41,;-2.15,6.18,;-.81,5.41,;.52,6.18,;-.81,3.87,;.52,1.56,;1.85,.79,;1.85,-3.83,;.52,-3.06,)|
BDBM177444 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC(N)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.52,-3.83,;5.19,-3.06,;5.19,-1.52,;3.86,-3.83,;3.86,-5.37,;2.52,-6.14,;1.19,-5.37,;-.15,-6.14,;-1.48,-5.37,;-1.48,-3.83,;-.15,-3.06,;1.19,-3.83,;2.52,-3.06,;2.52,-1.52,;1.19,-.75,;-.15,-1.52,;-1.48,-.75,;-1.48,.79,;-2.81,1.56,;-2.81,3.1,;-4.15,3.87,;-4.15,5.41,;-2.81,6.18,;-1.48,5.41,;-.15,6.18,;-1.48,3.87,;-.15,1.56,;1.19,.79,;-2.81,-3.06,;-2.81,-1.52,;-4.15,-.75,;-4.15,.79,;-5.48,-1.52,;-6.81,-.75,;-5.48,-3.06,;-6.81,-3.83,;-4.15,-3.83,)|
BDBM177445 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC[C@@H]4CO)CC3)c2c1 |r,wU:22.22,wD:25.26,31.33,(-7.34,-2.72,;-6,-3.49,;-4.67,-2.72,;-3.33,-3.49,;-2,-2.72,;-2,-1.18,;-3.33,-.41,;-3.33,1.13,;-4.67,-1.18,;-6,-.41,;-.67,-3.49,;-.67,-5.03,;.67,-5.8,;2,-5.03,;3.33,-5.8,;4.67,-5.03,;4.67,-3.49,;6,-2.72,;7.34,-3.49,;6,-1.18,;3.33,-2.72,;3.33,-1.18,;2,-.41,;.67,-1.18,;-.67,-.41,;-.67,1.13,;-2,1.9,;-2,3.44,;-3.25,4.34,;-2.77,5.8,;-1.23,5.8,;-.75,4.34,;.58,3.57,;1.91,4.34,;.67,1.9,;2,1.13,;2,-3.49,;.67,-2.72,)|
BDBM177446 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@@H]2CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-3.91,4.34,;-3.44,5.8,;-1.9,5.8,;-1.42,4.34,;-.09,3.57,;1.25,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)|
BDBM177447 CN1CCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177476 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(c(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.66,;-3.44,4.89,;-2.1,5.66,;-3.44,3.35,;-2.1,2.58,;-.77,3.35,;.56,2.58,;.56,1.04,;-.77,.27,;-2.1,1.04,;1.9,.27,;1.9,-1.25,;3.23,-2.02,;3.23,-3.56,;1.9,-4.33,;.56,-3.56,;-.77,-4.33,;-2.1,-3.56,;-2.1,-2.02,;-.77,-1.25,;.56,-2.02,;-3.44,-1.25,;-3.44,.29,;-4.77,1.06,;-4.77,2.41,;-6.1,.29,;-7.44,1.06,;-6.1,-1.25,;-7.44,-2.02,;-4.77,-2.02,;-3.44,-4.33,;-4.21,-2.99,;-2.67,-5.66,;-4.77,-5.1,;4.56,-1.25,;4.56,.29,;5.9,-2.02,;6.67,-3.35,;7.44,-2.02,)|
BDBM177477 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.71,;6,-3.48,;4.67,-2.71,;4.67,-1.17,;3.33,-3.48,;3.33,-5.02,;2,-5.79,;.67,-5.02,;-.67,-5.79,;-2,-5.02,;-2,-3.48,;-.67,-2.71,;.67,-3.48,;2,-2.71,;2,-1.2,;.67,-.43,;-.67,-1.2,;-2,-.43,;-2,1.11,;-3.33,1.88,;-3.33,3.42,;-2.09,4.33,;-2.56,5.79,;-4.1,5.79,;-4.58,4.33,;-.67,1.88,;.67,1.11,;-3.33,-2.71,;-3.33,-1.17,;-4.67,-.4,;-4.67,.94,;-6,-1.17,;-7.34,-.4,;-6,-2.71,;-7.34,-3.48,;-4.67,-3.48,)|
BDBM177478 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@H]2CO)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.48,;5.33,-2.71,;5.33,-1.17,;4,-3.48,;4,-5.02,;2.67,-5.79,;1.33,-5.02,;,-5.79,;-1.33,-5.02,;-1.33,-3.48,;,-2.71,;1.33,-3.48,;2.67,-2.71,;2.67,-1.2,;1.33,-.43,;,-1.2,;-1.33,-.43,;-1.33,1.11,;-2.67,1.88,;-2.67,3.42,;-1.42,4.33,;-1.9,5.79,;-3.44,5.79,;-3.91,4.33,;-5.25,3.56,;-6.58,4.33,;,1.88,;1.33,1.11,;-2.67,-2.71,;-2.67,-1.17,;-4,-.4,;-4,.94,;-5.33,-1.17,;-6.67,-.4,;-5.33,-2.71,;-6.67,-3.48,;-4,-3.48,)|
BDBM177479 CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.76,;-4,4.22,;-2.67,3.45,;-1.33,4.22,;-2.67,1.91,;-1.33,1.14,;-1.33,-.4,;,-1.17,;1.33,-.4,;1.33,1.14,;,1.91,;2.67,-1.17,;2.67,-2.68,;4,-3.45,;4,-4.99,;2.67,-5.76,;1.33,-4.99,;,-5.76,;-1.33,-4.99,;-1.33,-3.45,;,-2.68,;1.33,-3.45,;-2.67,-2.68,;-2.67,-1.14,;-4,-.37,;-4,.97,;-5.33,-1.14,;-6.67,-.37,;-5.33,-2.68,;-6.67,-3.45,;-4,-3.45,;5.33,-2.68,;6.67,-3.45,;5.33,-1.14,)|
BDBM177504 CC(=O)c1cnc2ccc(cc2c1Nc1cnc(C)c(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177505 CC(=O)c1cnc2cc(C)c(cc2c1N[C@H]1CC[C@H](CN2CCC(N)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(6.53,-4.14,;5.19,-3.37,;5.19,-1.83,;3.86,-4.14,;3.86,-5.68,;2.53,-6.45,;1.19,-5.68,;-.14,-6.45,;-1.47,-5.68,;-2.81,-6.45,;-1.47,-4.14,;-.14,-3.37,;1.19,-4.14,;2.53,-3.37,;2.53,-1.83,;1.19,-1.06,;-.14,-1.83,;-1.47,-1.06,;-1.47,.48,;-2.81,1.25,;-2.81,2.79,;-4.05,3.7,;-3.58,5.16,;-2.04,5.16,;-1.27,6.49,;-1.56,3.7,;-.14,1.25,;1.19,.48,;-2.81,-3.37,;-2.81,-1.83,;-4.14,-1.06,;-4.14,.29,;-5.48,-1.83,;-6.81,-1.06,;-5.48,-3.37,;-6.81,-4.14,;-4.14,-4.14,)|
BDBM177506 CC(=O)c1cnc2ccc(cc2c1Nc1cncc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177507 CN1CCCC1C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:12.16,wD:9.9,(-2.81,6.18,;-1.47,5.41,;-.01,5.89,;.9,4.64,;-.01,3.4,;-1.47,3.87,;-2.81,3.1,;-4.14,3.87,;-2.81,1.56,;-1.47,.79,;-1.47,-.75,;-.14,-1.52,;1.19,-.75,;1.19,.79,;-.14,1.56,;2.53,-1.52,;2.53,-3.06,;3.86,-3.83,;3.86,-5.37,;2.53,-6.14,;1.19,-5.37,;-.14,-6.14,;-1.47,-5.37,;-1.47,-3.83,;-.14,-3.06,;1.19,-3.83,;-2.81,-3.06,;-4.14,-3.83,;-5.48,-3.06,;-6.81,-3.83,;-5.48,-1.52,;-6.81,-.75,;-4.14,-.75,;-4.14,.6,;-2.81,-1.52,;5.19,-3.06,;6.53,-3.83,;5.19,-1.52,)|
BDBM177524 CS(=O)(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(5.87,-4.06,;5.1,-2.72,;4.33,-1.39,;6.44,-1.95,;3.77,-3.49,;3.77,-5.03,;2.44,-5.8,;1.1,-5.03,;-.23,-5.8,;-1.56,-5.03,;-1.56,-3.49,;-.23,-2.72,;1.1,-3.49,;2.44,-2.72,;2.44,-1.18,;1.1,-.41,;1.1,1.13,;-.23,1.9,;-1.56,1.13,;-2.9,1.9,;-2.9,3.44,;-1.65,4.34,;-2.13,5.8,;-3.67,5.8,;-4.14,4.34,;-1.56,-.41,;-.23,-1.18,;-2.9,-2.72,;-4.23,-3.49,;-5.56,-2.72,;-6.9,-3.49,;-5.56,-1.18,;-6.9,-.41,;-4.23,-.41,;-4.23,.93,;-2.9,-1.18,)|
BDBM177525 CN(C)CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(2.62,7.1,;2.22,5.61,;3.31,4.52,;.73,5.21,;.34,3.72,;-1.15,3.33,;-1.55,1.84,;-3.04,1.44,;-.46,.75,;-.86,-.74,;.23,-1.83,;1.72,-1.43,;2.11,.06,;1.03,1.15,;2.81,-2.52,;2.41,-4.01,;3.74,-4.78,;3.74,-6.32,;2.41,-7.09,;1.07,-6.32,;-.26,-7.09,;-1.59,-6.32,;-1.59,-4.78,;-.26,-4.01,;1.07,-4.78,;-2.93,-4.01,;-2.93,-2.47,;-4.26,-1.7,;-4.26,-.35,;-5.6,-2.47,;-6.93,-1.7,;-5.6,-4.01,;-6.93,-4.78,;-4.26,-4.78,;5.07,-4.01,;6.41,-4.78,;5.07,-2.47,)|
BDBM177526 CN(C)CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(2.62,7.1,;2.22,5.61,;3.31,4.52,;.73,5.21,;.34,3.72,;-1.15,3.33,;-1.55,1.84,;-3.04,1.44,;-.46,.75,;-.86,-.74,;.23,-1.83,;1.72,-1.43,;2.11,.06,;1.03,1.15,;2.81,-2.52,;2.41,-4.01,;3.74,-4.78,;3.74,-6.32,;2.41,-7.09,;1.07,-6.32,;-.26,-7.09,;-1.59,-6.32,;-1.59,-4.78,;-.26,-4.01,;1.07,-4.78,;-2.93,-4.01,;-4.26,-4.78,;-5.6,-4.01,;-6.93,-4.78,;-5.6,-2.47,;-6.93,-1.7,;-4.26,-1.7,;-4.26,-.35,;-2.93,-2.47,;5.07,-4.01,;6.41,-4.78,;5.07,-2.47,)|
BDBM177527 CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177528 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2ccc3nc[nH]c3c2)C(C)=O)cn1
BDBM177550 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CCCC1 |r,wU:4.3,wD:7.10,(-5.35,5,;-4.02,4.23,;-2.68,5.01,;-4.02,2.69,;-2.68,1.92,;-1.35,2.7,;-.02,1.92,;-.02,.38,;-1.35,-.39,;-2.68,.38,;1.32,-.39,;1.32,-1.93,;2.65,-2.7,;2.65,-4.24,;1.32,-5.01,;-.02,-4.24,;-1.35,-5.01,;-2.68,-4.24,;-2.68,-2.7,;-1.35,-1.92,;-.02,-2.7,;-4.02,-1.93,;-5.35,-2.7,;-6.68,-1.93,;-8.02,-2.7,;-6.68,-.39,;-8.02,.39,;-5.35,.38,;-5.35,1.92,;-4.02,-.39,;3.99,-1.92,;3.99,-.38,;5.32,-2.69,;5.32,-4.23,;6.78,-4.71,;7.69,-3.46,;6.78,-2.22,)|
BDBM177551 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C(C)(C)C |r,wU:7.10,wD:4.3,(-4.82,5,;-3.49,4.23,;-2.15,5.01,;-3.49,2.69,;-2.15,1.92,;-2.15,.38,;-.82,-.39,;.51,.38,;.51,1.92,;-.82,2.7,;1.85,-.39,;1.85,-1.93,;3.18,-2.7,;3.18,-4.24,;1.85,-5.01,;.51,-4.24,;-.82,-5.01,;-2.15,-4.24,;-2.15,-2.7,;-.82,-1.92,;.51,-2.7,;-3.49,-1.93,;-4.82,-2.7,;-6.15,-1.93,;-7.49,-2.7,;-6.15,-.39,;-7.49,.39,;-4.82,.38,;-4.82,1.92,;-3.49,-.39,;4.52,-1.92,;4.52,-.38,;5.85,-2.69,;6.62,-1.36,;5.08,-4.03,;7.18,-3.46,)|
BDBM177552 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C(C)(C)C |r,wU:7.10,wD:4.3,(-4.82,5,;-3.49,4.23,;-2.15,5.01,;-3.49,2.69,;-2.15,1.92,;-2.15,.38,;-.82,-.39,;.51,.38,;.51,1.92,;-.82,2.7,;1.85,-.39,;1.85,-1.93,;3.18,-2.7,;3.18,-4.24,;1.85,-5.01,;.51,-4.24,;-.82,-5.01,;-2.15,-4.24,;-2.15,-2.7,;-.82,-1.92,;.51,-2.7,;-3.49,-1.93,;-4.82,-2.7,;-6.15,-1.93,;-7.49,-2.7,;-6.15,-.39,;-7.49,.39,;-4.82,.38,;-4.82,1.92,;-3.49,-.39,;4.52,-1.92,;4.52,-.38,;5.85,-2.69,;6.62,-1.36,;5.08,-4.03,;7.18,-3.46,)|
BDBM177553 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.22,23.25,(6.44,-3.7,;5.1,-2.93,;5.1,-1.39,;3.77,-3.7,;3.77,-5.24,;2.44,-6.01,;1.1,-5.24,;-.23,-6.01,;-1.56,-5.24,;-1.56,-3.7,;-.23,-2.93,;1.1,-3.7,;2.44,-2.93,;2.44,-1.39,;1.1,-.62,;-.23,-1.39,;-1.56,-.62,;-1.56,.92,;-.23,1.69,;1.1,.92,;-2.9,1.69,;-2.9,3.23,;-1.56,4,;-4.23,4,;-5.7,3.52,;-6.6,4.77,;-5.7,6.01,;-4.23,5.54,;-2.9,-2.93,;-4.23,-3.7,;-5.56,-2.93,;-6.9,-3.7,;-5.56,-1.39,;-6.9,-.62,;-4.23,-.62,;-4.23,.92,;-2.9,-1.39,)|
BDBM177573 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.53,-1.41,;-6.2,-2.18,;-4.87,-1.41,;-3.53,-2.18,;-2.2,-1.41,;-2.2,.13,;-3.53,.9,;-3.53,2.44,;-4.87,.13,;-6.2,.9,;-.86,-2.18,;-.86,-3.72,;.47,-4.49,;1.8,-3.72,;3.14,-4.49,;4.47,-3.72,;4.47,-2.18,;5.8,-1.41,;7.14,-2.18,;5.8,.13,;3.14,-1.41,;3.14,.13,;2.05,1.22,;2.45,2.71,;1.36,3.8,;-.13,3.4,;-1.22,4.49,;-.53,1.91,;.56,.82,;1.8,-2.18,;.47,-1.41,)|
BDBM177574 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.22,5.23,;-2.62,3.74,;-4.11,3.35,;-1.53,2.66,;-1.93,1.17,;-.84,.08,;.65,.48,;1.05,1.96,;-.04,3.05,;1.74,-.61,;1.74,-2.15,;3.07,-2.92,;3.07,-4.46,;1.74,-5.23,;.4,-4.46,;-.93,-5.23,;-2.27,-4.46,;-2.27,-2.92,;-.93,-2.15,;.4,-2.92,;-3.6,-2.15,;-4.93,-2.92,;-6.27,-2.15,;-7.6,-2.92,;-6.27,-.61,;-7.6,.16,;-4.93,.16,;-4.93,1.7,;-3.6,-.61,;4.4,-2.15,;4.4,-.61,;5.74,-2.92,;6.51,-4.26,;7.28,-2.92,)|
BDBM177576 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4.17,5,;-2.84,4.23,;-1.51,5,;-2.84,2.69,;-1.51,1.93,;-1.51,.38,;-.17,-.38,;1.16,.38,;1.16,1.93,;-.17,2.69,;2.49,-.38,;2.49,-1.93,;3.83,-2.69,;3.83,-4.23,;2.49,-5,;1.16,-4.23,;-.17,-5,;-1.51,-4.23,;-1.51,-2.69,;-.17,-1.92,;1.16,-2.69,;-2.84,-1.93,;-2.84,-.38,;-4.17,.38,;-4.17,1.93,;-5.51,-.38,;-6.84,.39,;-5.51,-1.93,;-6.84,-2.69,;-4.17,-2.69,;5.16,-1.92,;6.49,-2.69,;5.16,-.38,)|
BDBM177577 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4.17,5,;-2.84,4.23,;-1.51,5,;-2.84,2.69,;-1.51,1.93,;-1.51,.38,;-.17,-.38,;1.16,.38,;1.16,1.93,;-.17,2.69,;2.49,-.38,;2.49,-1.93,;3.83,-2.69,;3.83,-4.23,;2.49,-5,;1.16,-4.23,;-.17,-5,;-1.51,-4.23,;-1.51,-2.69,;-.17,-1.92,;1.16,-2.69,;-2.84,-1.93,;-4.17,-2.69,;-5.51,-1.93,;-6.84,-2.69,;-5.51,-.38,;-6.84,.39,;-4.17,.38,;-4.17,1.93,;-2.84,-.38,;5.16,-1.92,;6.49,-2.69,;5.16,-.38,)|
BDBM176751 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc(s1)C#N)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.7,3.85,;-1.37,3.08,;-.04,3.85,;1.3,3.08,;1.3,1.54,;-.04,.77,;-1.37,1.54,;2.63,.77,;2.63,-.77,;3.96,-1.54,;3.96,-3.08,;2.63,-3.85,;1.3,-3.08,;-.04,-3.85,;-1.37,-3.08,;-1.37,-1.54,;-.04,-.77,;1.3,-1.54,;-2.7,-.77,;-3.18,.69,;-4.72,.69,;-5.2,-.77,;-3.95,-1.68,;-6.68,-1.17,;-8.17,-1.57,;5.3,-.77,;5.3,.77,;6.63,-1.54,;7.4,-2.87,;8.17,-1.54,)|
BDBM176786 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC4(CCNC4)CC3)c2c1
BDBM176787 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(F)c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.46,4.49,;-1.37,3.4,;.12,3.8,;1.21,2.71,;.81,1.22,;-.68,.82,;-1.77,1.91,;1.9,.13,;1.9,-1.41,;3.23,-2.18,;3.23,-3.72,;1.9,-4.49,;.56,-3.72,;-.77,-4.49,;-2.1,-3.72,;-2.1,-2.18,;-.77,-1.41,;.56,-2.18,;-3.44,-1.41,;-3.44,.13,;-4.77,.9,;-4.77,2.44,;-6.1,.13,;-7.44,.9,;-6.1,-1.41,;-7.44,-2.18,;-4.77,-2.18,;4.56,-1.41,;4.56,.13,;5.9,-2.18,;6.67,-3.51,;7.44,-2.18,)|
BDBM177121 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177288 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)cc2)CC1
BDBM177440 CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177176 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(C)=O |r,wU:5.8,wD:2.1,(-1.29,5.23,;-1.69,3.74,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-4,-2.92,;-5.33,-2.15,;-6.67,-2.92,;-5.33,-.61,;-6.67,.16,;-4,.16,;-4,1.7,;-2.67,2.47,;-2.67,-.61,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM177127 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN)CC3)c2c1 |r,wU:27.29,wD:24.25,(-8.11,-2.15,;-6.77,-2.92,;-5.44,-2.15,;-4.1,-2.92,;-2.77,-2.15,;-2.77,-.61,;-4.1,.16,;-4.1,1.7,;-5.44,-.61,;-6.77,.16,;-1.44,-2.92,;-1.44,-4.46,;-.1,-5.23,;1.23,-4.46,;2.56,-5.23,;3.9,-4.46,;3.9,-2.92,;5.23,-2.15,;5.23,-.61,;6.57,-2.92,;7.34,-4.26,;8.11,-2.92,;2.56,-2.15,;2.56,-.61,;1.48,.48,;1.87,1.96,;.78,3.05,;-.7,2.66,;-1.79,3.74,;-1.39,5.23,;-1.1,1.17,;-.01,.08,;1.23,-2.92,;-.1,-2.15,)|
BDBM176797 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3CC[C@H](N)CC3)c2c1 |r,wU:23.24,26.28,(-8.11,-.77,;-6.77,-1.54,;-5.44,-.77,;-4.1,-1.54,;-2.77,-.77,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-6.77,1.54,;-1.44,-1.54,;-1.44,-3.08,;-.1,-3.85,;1.23,-3.08,;2.56,-3.85,;3.9,-3.08,;3.9,-1.54,;5.23,-.77,;5.23,.77,;6.57,-1.54,;7.34,-2.87,;8.11,-1.54,;2.56,-.77,;2.56,.77,;1.23,1.54,;1.23,3.08,;-.1,3.85,;-1.44,3.08,;-2.77,3.85,;-1.44,1.54,;-.1,.77,;1.23,-1.54,;-.1,-.77,)|
BDBM50043342 O=C(Nc1ccc2CCNCCc2c1)c1ccc(cc1)-c1cn[nH]c1
BDBM50043345 NCCCOc1cc(ccc1C(=O)Nc1ccccc1)-c1cn[nH]c1
BDBM176834 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NCC3CCN(C)CC3)c2c1
BDBM176897 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM176898 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM176900 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:23.24,wD:26.31,(-8.11,-2.15,;-6.77,-2.92,;-5.44,-2.15,;-4.1,-2.92,;-2.77,-2.15,;-2.77,-.61,;-4.1,.16,;-5.44,-.61,;-6.77,.16,;-1.44,-2.92,;-1.44,-4.46,;-.1,-5.23,;1.23,-4.46,;2.56,-5.23,;3.9,-4.46,;3.9,-2.92,;5.23,-2.15,;5.23,-.61,;6.57,-2.92,;7.34,-4.26,;8.11,-2.92,;2.56,-2.15,;2.56,-.61,;1.48,.48,;-.01,.08,;-1.1,1.17,;-.7,2.66,;.78,3.05,;1.87,1.96,;-1.79,3.74,;-1.39,5.23,;-3.28,3.35,;1.23,-2.92,;-.1,-2.15,)|
BDBM176901 CC(C)CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:20.22,wD:17.18,(8,-2.18,;6.67,-1.41,;6.67,.13,;5.33,-2.18,;4,-1.41,;4,.13,;2.67,-2.18,;2.67,-3.72,;1.33,-4.49,;,-3.72,;-1.33,-4.49,;-2.67,-3.72,;-2.67,-2.18,;-1.33,-1.41,;,-2.18,;1.33,-1.41,;1.33,.13,;.24,1.22,;.64,2.71,;-.45,3.8,;-1.93,3.4,;-3.02,4.49,;-2.33,1.91,;-1.24,.82,;-4,-1.41,;-5.33,-2.18,;-6.67,-1.41,;-8,-2.18,;-6.67,.13,;-8,.9,;-5.33,.9,;-5.33,2.44,;-4,.13,)|
BDBM176928 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(F)c(cc12)-c1cc(F)c(O)c(F)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-3.44,-5.23,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM176929 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(F)c(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-3.44,-5.23,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM176955 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM176957 CC(C)C(=O)c1cnc2ccc(cc2c1N1CCC(CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1
BDBM176958 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.92,;-.77,2.69,;.56,1.92,;.56,.38,;-.77,-.38,;-2.1,.38,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.39,;-4.77,1.93,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM176985 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)N3CCN(C)CC3)c2c1
BDBM176987 CCOc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
BDBM176990 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(CN(C)C)cc3)c2c1
BDBM177026 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.34,-1.92,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-2,-.39,;-3.33,.39,;-3.33,1.93,;-4.67,-.39,;-6,.38,;-.67,-2.7,;-.67,-4.24,;.67,-5.01,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;4.67,-2.7,;6,-1.92,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.39,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.92,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5.01,;.67,2.69,;2,1.92,;2,-2.7,;.67,-1.92,)|
BDBM177027 CN1CCN(CC1)C(=O)CNc1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1
BDBM177028 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CCN4CCCC4)CC3)c2c1
BDBM177029 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NCC(=O)N3CCN(C)CC3)c2c1
BDBM177030 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)cc3)c2c1
BDBM177031 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(=O)C3CC3)cc2)CC1
BDBM177061 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177062 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C#N)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM177063 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN(C)C)cn3)c2c1
BDBM177064 CN1CCN(CC1)c1ccc(cc1)-c1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177065 CN(C)Cc1ccc(cc1)-c1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177066 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C#N)cc1
BDBM177067 Oc1ccc(cc1Cl)-c1ccc2ncc(C#N)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM177197 CN(C)Cc1ccc(Nc2c(cnc3c(F)cc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177198 COc1cc(cc(Cl)c1O)-c1cc(F)c2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:25.26,wD:28.30,(-8.11,-.64,;-6.77,-1.41,;-5.44,-.64,;-4.1,-1.41,;-2.77,-.64,;-2.77,.9,;-4.1,1.67,;-4.1,3.21,;-5.44,.9,;-6.77,1.67,;-1.44,-1.41,;-1.44,-2.95,;-.1,-3.72,;-.1,-5.26,;1.23,-2.95,;2.56,-3.72,;3.9,-2.95,;3.9,-1.41,;5.23,-.64,;5.23,.9,;6.57,-1.41,;7.34,-2.74,;8.11,-1.41,;2.56,-.64,;2.56,.9,;1.48,1.99,;-.01,1.59,;-1.1,2.68,;-.7,4.17,;-1.79,5.26,;.78,4.57,;1.87,3.48,;1.23,-1.41,;-.1,-.64,)|
BDBM177199 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2c(F)cc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.7,wD:1.0,(-2.46,5.26,;-1.37,4.17,;-1.77,2.68,;-.68,1.59,;.81,1.99,;1.21,3.48,;.12,4.57,;1.9,.9,;1.9,-.64,;3.23,-1.41,;3.23,-2.95,;1.9,-3.72,;.56,-2.95,;-.77,-3.72,;-.77,-5.26,;-2.1,-2.95,;-2.1,-1.41,;-.77,-.64,;.56,-1.41,;-3.44,-.64,;-3.44,.9,;-4.77,1.67,;-4.77,3.21,;-6.1,.9,;-7.44,1.67,;-6.1,-.64,;-7.44,-1.41,;-4.77,-1.41,;4.56,-.64,;4.56,.9,;5.9,-1.41,;6.67,-2.74,;7.44,-1.41,)|
BDBM177200 NC1CCN(CC1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177201 NC1CCN(CC1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177202 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC(N)C3)c2c1
BDBM177220 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-2.72,;-6.77,-3.49,;-5.44,-2.72,;-4.1,-3.49,;-2.77,-2.72,;-2.77,-1.18,;-4.1,-.41,;-4.1,1.13,;-5.44,-1.18,;-6.77,-.41,;-1.44,-3.49,;-1.44,-5.03,;-.1,-5.8,;1.23,-5.03,;2.56,-5.8,;3.9,-5.03,;3.9,-3.49,;5.23,-2.72,;5.23,-1.18,;6.57,-3.49,;7.34,-4.83,;8.11,-3.49,;2.56,-2.72,;2.56,-1.18,;1.23,-.41,;-.1,-1.18,;-1.44,-.41,;-1.44,1.13,;-2.77,1.9,;-2.77,3.44,;-1.52,4.34,;-2,5.8,;-3.54,5.8,;-4.02,4.34,;-.1,1.9,;1.23,1.13,;1.23,-3.49,;-.1,-2.72,)|
BDBM177223 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(N)nc3)c2c1
BDBM177240 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C(C)C)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:27.28,wD:24.24,(-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-1.33,-2.69,;-1.33,-4.23,;,-5,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.92,;5.33,-.38,;6.67,-2.69,;6.67,-4.23,;8,-1.92,;2.67,-1.93,;2.67,-.38,;1.33,.38,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;-4,5,;-1.33,.38,;,-.38,;1.33,-2.69,;,-1.92,)|
BDBM177241 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(OC)c1 |r,wU:19.21,wD:16.17,(8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,;4.67,-1.02,;3.33,-3.33,;3.33,-4.87,;2,-5.64,;.67,-4.87,;-.67,-5.64,;-2,-4.87,;-2,-3.33,;-.67,-2.56,;.67,-3.33,;2,-2.56,;2,-1.02,;.91,.07,;1.31,1.55,;.22,2.64,;-1.27,2.24,;-2.36,3.33,;-2.36,4.87,;-1.02,5.64,;-3.69,5.64,;-1.66,.76,;-.58,-.33,;-3.33,-2.56,;-3.33,-1.02,;-4.67,-.25,;-4.67,1.29,;-6,-1.02,;-7.34,-.25,;-6,-2.56,;-7.34,-3.33,;-8.67,-2.56,;-4.67,-3.33,)|
BDBM177242 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(6,-4.23,;6,-2.69,;7.34,-1.92,;4.67,-1.92,;4.67,-.38,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.92,;.67,-2.69,;2,-1.93,;2,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-3.33,4.23,;-2,5,;-4.67,5,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-4.67,-2.69,;-6,-1.93,;-7.34,-2.69,;-6,-.38,;-7.34,.38,;-4.67,.38,;-4.67,1.93,;-3.33,-.38,)|
BDBM177243 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCCNC4)nc3)c2c1
BDBM177244 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCCNC4)nc3)c2c1
BDBM177282 N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM177283 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC[C@@H](N)C3)c2c1 |r|
BDBM177284 N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM177285 N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM177286 CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:8.11,4.4,wD:4.3,(-4.77,5,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.92,;-2.1,3.46,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-3.44,-.39,;-4.77,.38,;-4.77,1.92,;-6.1,-.39,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.7,;-4.77,-2.7,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177303 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC(O)C3)c2c1
BDBM177304 OC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177305 OC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177306 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)nc3)c2c1
BDBM177307 CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:8.11,4.4,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5.01,;-3.44,2.69,;-2.1,1.92,;-2.1,3.46,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.93,;.56,-2.7,;-3.44,-1.93,;-3.44,-.39,;-4.77,.38,;-4.77,1.92,;-6.1,-.39,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.7,;-4.77,-2.7,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177308 CC(C)C(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(F)c(O)c(Cl)c1
BDBM177330 CN(C)C1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(F)c(O)c(Cl)c3)C(=O)C3CC3)cc2)C1
BDBM177331 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCC(C4)N(C)C)cc3)c2c1
BDBM177332 CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)c1
BDBM177333 CN1CCCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177334 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CNCCF)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,.38,;-6.1,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-5,;.56,-4.23,;1.9,-5,;3.23,-4.23,;3.23,-2.69,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,;1.9,-1.93,;1.9,-.38,;.56,.38,;-.77,-.38,;-2.1,.38,;-2.1,1.93,;-3.44,2.69,;-3.44,4.23,;-4.77,5,;-6.1,4.23,;-7.44,5,;-.77,2.7,;.56,1.93,;.56,-2.69,;-.77,-1.92,)|
BDBM177363 CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)c1
BDBM177364 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3cccc(CCN(C)C)c3)c2c1
BDBM177365 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;1.33,1.13,;,1.9,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-1.33,-.41,;,-1.18,;-2.67,-2.72,;-4,-3.49,;-5.33,-2.72,;-6.67,-3.49,;-5.33,-1.18,;-6.67,-.41,;-4,-.41,;-4,1.13,;-2.67,-1.18,)|
BDBM177368 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-2.74,;-6,-3.51,;-4.67,-2.74,;-3.33,-3.51,;-2,-2.74,;-2,-1.2,;-3.33,-.43,;-3.33,1.11,;-4.67,-1.2,;-6,-.43,;-.67,-3.51,;-.67,-5.05,;.67,-5.82,;2,-5.05,;3.33,-5.82,;4.67,-5.05,;4.67,-3.51,;6,-2.74,;7.34,-3.51,;6,-1.2,;3.33,-2.74,;3.33,-1.17,;2,-.4,;2,1.14,;.67,1.91,;-.67,1.14,;-2,1.91,;-2,3.45,;-.75,4.35,;-1.23,5.82,;-2.77,5.82,;-3.25,4.35,;-.67,-.4,;.67,-1.17,;2,-3.51,;.67,-2.74,)|
BDBM177390 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CCN4CCCC4)CC3)c2c1
BDBM177391 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)N(C)C)-c1cc(F)c(O)c(Cl)c1 |r,wU:18.23,wD:15.16,(7.34,-2.15,;6,-2.92,;4.67,-2.15,;4.67,-.61,;3.33,-2.92,;3.33,-4.46,;2,-5.23,;.67,-4.46,;-.67,-5.23,;-2,-4.46,;-2,-2.92,;-.67,-2.15,;.67,-2.92,;2,-2.15,;2,-.61,;.91,.48,;1.31,1.96,;.22,3.05,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;-2.36,3.74,;-1.96,5.23,;-3.84,3.35,;-3.33,-2.15,;-4.67,-2.92,;-6,-2.15,;-7.34,-2.92,;-6,-.61,;-7.34,.16,;-4.67,.16,;-4.67,1.7,;-3.33,-.61,)|
BDBM177392 CN(C)CCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177393 CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)c1
BDBM177394 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM177395 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177224 Nc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177225 Nc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177226 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177227 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177228 CC(=O)c1cnc2ccc(cc2c1Nc1cnc(nc1)N1CCNCC1)-c1cc(F)c(O)c(Cl)c1
BDBM177245 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCCNC4)nc3)c2c1
BDBM177246 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CCN(C)C)cc3)c2c1
BDBM177249 CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177250 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3cnc(nc3)N3CCNCC3)c2c1
BDBM177309 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CCC(F)(F)C3)c2c1 |(-7.44,-.11,;-6.1,-.88,;-6.1,-2.42,;-7.44,-3.19,;-4.77,-3.19,;-3.44,-2.42,;-3.44,-.88,;-4.77,-.11,;-4.77,1.43,;-2.1,-3.19,;-2.1,-4.73,;-.77,-5.5,;.56,-4.73,;1.9,-5.5,;3.23,-4.73,;3.23,-3.19,;4.56,-2.42,;4.56,-.88,;5.9,-3.19,;6.67,-4.52,;7.44,-3.19,;1.9,-2.42,;1.9,-.88,;.81,.21,;1.21,1.7,;.12,2.79,;-1.37,2.39,;-1.77,.9,;-.68,-.19,;-2.46,3.48,;-2.44,5.02,;-3.91,5.5,;-4.81,4.25,;-6.15,5.02,;-6.15,3.48,;-3.91,3,;.56,-3.19,;-.77,-2.42,)|
BDBM177310 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CCC(F)(F)C3)c2c1 |(-8.11,-2.42,;-6.77,-3.19,;-5.44,-2.42,;-4.1,-3.19,;-2.77,-2.42,;-2.77,-.88,;-4.1,-.11,;-4.1,1.43,;-5.44,-.88,;-6.77,-.11,;-1.44,-3.19,;-1.44,-4.73,;-.1,-5.5,;1.23,-4.73,;2.56,-5.5,;3.9,-4.73,;3.9,-3.19,;5.23,-2.42,;5.23,-.88,;6.57,-3.19,;7.34,-4.52,;8.11,-3.19,;2.56,-2.42,;2.56,-.88,;1.48,.21,;1.87,1.7,;.78,2.79,;-.7,2.39,;-1.1,.9,;-.01,-.19,;-1.79,3.48,;-1.77,5.02,;-3.24,5.5,;-4.14,4.25,;-5.48,5.02,;-5.48,3.48,;-3.24,3,;1.23,-3.19,;-.1,-2.42,)|
BDBM177311 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NCCO)nc3)c2c1
BDBM177312 OCCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177313 OCCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177335 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CNCCF)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,.38,;-6.1,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-5,;.56,-4.23,;1.9,-5,;3.23,-4.23,;3.23,-2.69,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,;1.9,-1.93,;1.9,-.38,;.56,.38,;-.77,-.38,;-2.1,.38,;-2.1,1.93,;-3.44,2.69,;-3.44,4.23,;-4.77,5,;-6.1,4.23,;-7.44,5,;-.77,2.7,;.56,1.93,;.56,-2.69,;-.77,-1.92,)|
BDBM177336 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177337 CN1CCCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177338 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177339 CN[C@H]1CC[C@@H](CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r,wU:5.8,wD:2.1,(-3.98,6.88,;-2.5,6.48,;-2.1,4.99,;-3.19,3.9,;-2.79,2.41,;-1.3,2.02,;-.21,3.11,;-.61,4.59,;-.9,.53,;.56,.05,;.56,-1.49,;1.9,-2.26,;1.9,-3.8,;3.23,-4.57,;3.23,-6.11,;1.9,-6.88,;.56,-6.11,;-.77,-6.88,;-2.1,-6.11,;-2.1,-4.57,;-.77,-3.8,;.56,-4.57,;-3.44,-3.8,;-3.44,-2.26,;-4.77,-1.49,;-4.77,.05,;-6.1,-2.26,;-7.44,-1.49,;-6.1,-3.8,;-7.44,-4.57,;-4.77,-4.57,;4.56,-3.8,;4.56,-2.26,;5.9,-4.57,;6.67,-5.9,;7.44,-4.57,;-.9,-1.96,;-1.81,-.72,)|
BDBM177369 NC1CCN(CC1)c1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)ccn1
BDBM177370 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCN(C)CC1)-c1cc(F)c(O)c(Cl)c1
BDBM177371 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCN(C)CC1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177372 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CCN(C)C)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-2.82,;-6,-3.59,;-4.67,-2.82,;-3.33,-3.59,;-2,-2.82,;-2,-1.28,;-3.33,-.51,;-3.33,1.03,;-4.67,-1.28,;-6,-.51,;-.67,-3.59,;-.67,-5.13,;.67,-5.9,;2,-5.13,;3.33,-5.9,;4.67,-5.13,;4.67,-3.59,;6,-2.82,;7.34,-3.59,;6,-1.28,;3.33,-2.82,;3.33,-1.03,;2,-.26,;2,1.28,;.67,2.05,;-.67,1.28,;-2,2.05,;-2,3.59,;-3.33,4.36,;-4.67,3.59,;-3.33,5.9,;-.67,-.26,;.67,-1.03,;2,-3.59,;.67,-2.82,)|
BDBM177396 CN(C)CCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177397 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:3.2,wD:6.9,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;.89,3.05,;1.98,1.96,;1.58,.48,;.09,.08,;-1,1.17,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-4,-2.92,;-5.33,-2.15,;-6.67,-2.92,;-5.33,-.61,;-6.67,.16,;-4,.16,;-4,1.7,;-2.67,-.61,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM177398 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCN(CC3)C3CCNC3)c2c1
BDBM177422 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177423 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177424 CCN(CC)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,wD:6.5,(-4,5.77,;-4,4.23,;-2.67,3.46,;-1.33,4.24,;-1.33,5.78,;-2.67,1.92,;-1.33,1.15,;-1.33,-.39,;,-1.16,;1.33,-.39,;1.33,1.15,;,1.92,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.7,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,-1.16,;-6.67,-.39,;-5.33,-2.7,;-6.67,-3.47,;-4,-3.47,;5.33,-2.69,;6.67,-3.46,;5.33,-1.15,)|
BDBM177425 CCN(CC)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(C)=O |r,wU:9.12,wD:6.5,(-3.47,5.83,;-3.47,4.29,;-2.14,3.52,;-.81,4.29,;-.81,5.83,;-2.14,1.98,;-.81,1.21,;-.81,-.33,;.53,-1.1,;1.86,-.33,;1.86,1.21,;.53,1.98,;3.2,-1.1,;3.2,-2.64,;4.53,-3.41,;4.53,-4.95,;3.2,-5.72,;1.86,-4.95,;.53,-5.72,;-.81,-4.95,;-.81,-3.41,;.53,-2.64,;1.86,-3.41,;-2.14,-2.64,;-2.14,-1.1,;-3.47,-.33,;-3.47,1.21,;-4.81,-1.1,;-6.14,-.33,;-4.81,-2.64,;-6.14,-3.41,;-7.47,-2.64,;-3.47,-3.41,;5.86,-2.64,;7.2,-3.41,;5.86,-1.1,)|
BDBM177426 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@H]2CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-5.25,3.57,;-6.58,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)|
BDBM177448 CN1CCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177450 CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(C)=O |r,wU:5.4,wD:8.11,(-1.48,6.52,;-1.88,5.03,;-.79,3.94,;.69,4.34,;-1.19,2.46,;-.1,1.37,;1.39,1.77,;2.47,.68,;2.08,-.81,;.59,-1.21,;-.5,-.12,;3.16,-1.9,;3.16,-3.44,;4.5,-4.21,;4.5,-5.75,;3.16,-6.52,;1.83,-5.75,;.5,-6.52,;-.84,-5.75,;-.84,-4.21,;.5,-3.44,;1.83,-4.21,;-2.17,-3.44,;-2.17,-1.9,;-3.5,-1.13,;-3.5,.41,;-4.84,-1.9,;-6.17,-1.13,;-4.84,-3.44,;-6.17,-4.21,;-7.51,-3.44,;-3.5,-4.21,;5.83,-3.44,;7.17,-4.21,;5.83,-1.9,)|
BDBM177451 CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-2.15,6.52,;-2.55,5.03,;-1.46,3.94,;.03,4.34,;-1.86,2.46,;-.77,1.37,;.72,1.77,;1.81,.68,;1.41,-.81,;-.08,-1.21,;-1.17,-.12,;2.5,-1.9,;2.5,-3.44,;3.83,-4.21,;3.83,-5.75,;2.5,-6.52,;1.16,-5.75,;-.17,-6.52,;-1.5,-5.75,;-1.5,-4.21,;-.17,-3.44,;1.16,-4.21,;-2.84,-3.44,;-2.84,-1.9,;-4.17,-1.13,;-4.17,.41,;-5.5,-1.9,;-6.84,-1.13,;-5.5,-3.44,;-6.84,-4.21,;-4.17,-4.21,;5.16,-3.44,;6.5,-4.21,;5.16,-1.9,)|
BDBM177452 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC(N)C2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.5,-4.41,;5.16,-3.64,;5.16,-2.1,;3.83,-4.41,;3.83,-5.95,;2.5,-6.72,;1.16,-5.95,;-.17,-6.72,;-1.5,-5.95,;-1.5,-4.41,;-.17,-3.64,;1.16,-4.41,;2.5,-3.64,;2.5,-2.1,;1.41,-1.01,;1.81,.48,;.72,1.57,;-.77,1.17,;-1.86,2.26,;-1.46,3.74,;-2.55,4.83,;-2.15,6.32,;-.66,6.72,;.43,5.63,;1.91,6.03,;.03,4.14,;-1.17,-.32,;-.08,-1.41,;-2.84,-3.64,;-2.84,-2.1,;-4.17,-1.33,;-4.17,.21,;-5.5,-2.1,;-6.84,-1.33,;-5.5,-3.64,;-6.84,-4.41,;-4.17,-4.41,)|
BDBM177480 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.71,;6,-3.48,;4.67,-2.71,;4.67,-1.17,;3.33,-3.48,;3.33,-5.02,;2,-5.79,;.67,-5.02,;-.67,-5.79,;-2,-5.02,;-2,-3.48,;-.67,-2.71,;.67,-3.48,;2,-2.71,;2,-1.2,;.67,-.43,;-.67,-1.2,;-2,-.43,;-2,1.11,;-3.33,1.88,;-3.33,3.42,;-2.09,4.33,;-2.56,5.79,;-4.1,5.79,;-4.58,4.33,;-.67,1.88,;.67,1.11,;-3.33,-2.71,;-3.33,-1.17,;-4.67,-.4,;-4.67,.94,;-6,-1.17,;-7.34,-.4,;-6,-2.71,;-7.34,-3.48,;-4.67,-3.48,)|
BDBM177481 CN(C)Cc1ccc(Nc2c(cnc3cc(C)c(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177482 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177483 CN1CCN(CC1)C(=O)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |(-.29,7.46,;-.69,5.97,;.4,4.88,;0,3.4,;-1.48,3,;-2.57,4.09,;-2.17,5.57,;-1.88,1.51,;-3.37,1.11,;-.79,.42,;.69,.82,;1.78,-.27,;1.38,-1.76,;-.1,-2.16,;-1.19,-1.07,;2.47,-2.85,;2.47,-4.36,;3.81,-5.13,;3.81,-6.67,;2.47,-7.44,;1.14,-6.67,;-.19,-7.44,;-1.53,-6.67,;-1.53,-5.13,;-.19,-4.36,;1.14,-5.13,;-2.86,-4.36,;-4.19,-5.13,;-5.53,-4.36,;-6.86,-5.13,;-5.53,-2.82,;-6.86,-2.05,;-4.19,-2.05,;-4.19,-.7,;-2.86,-2.82,;5.14,-4.36,;6.47,-5.13,;5.14,-2.82,)|
BDBM177484 CN(C)CCN1CCCC(C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O
BDBM177485 CN(C)CCN1CCCC(C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O
BDBM177508 CN1CCCC1C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.9,wD:12.16,(-2.81,6.18,;-4.14,5.41,;-5.61,5.89,;-6.51,4.64,;-5.61,3.4,;-4.14,3.87,;-2.81,3.1,;-1.47,3.87,;-2.81,1.56,;-1.47,.79,;-.14,1.56,;1.19,.79,;1.19,-.75,;-.14,-1.52,;-1.47,-.75,;2.53,-1.52,;2.53,-3.06,;3.86,-3.83,;3.86,-5.37,;2.53,-6.14,;1.19,-5.37,;-.14,-6.14,;-1.47,-5.37,;-1.47,-3.83,;-.14,-3.06,;1.19,-3.83,;-2.81,-3.06,;-2.81,-1.52,;-4.14,-.75,;-4.14,.6,;-5.48,-1.52,;-6.81,-.75,;-5.48,-3.06,;-6.81,-3.83,;-4.14,-3.83,;5.19,-3.06,;6.53,-3.83,;5.19,-1.52,)|
BDBM177509 CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:10.13,wD:7.6,(.41,5.63,;-1.08,5.23,;-2.16,6.32,;-1.47,3.74,;-2.81,2.97,;-4.14,3.74,;-2.81,1.43,;-1.47,.66,;-1.47,-.88,;-.14,-1.65,;1.19,-.88,;1.19,.66,;-.14,1.43,;2.53,-1.65,;2.53,-3.19,;3.86,-3.96,;3.86,-5.5,;2.53,-6.27,;1.19,-5.5,;-.14,-6.27,;-1.47,-5.5,;-1.47,-3.96,;-.14,-3.19,;1.19,-3.96,;-2.81,-3.19,;-4.14,-3.96,;-5.48,-3.19,;-6.81,-3.96,;-5.48,-1.65,;-6.81,-.88,;-4.14,-.88,;-4.14,.47,;-2.81,-1.65,;5.19,-3.19,;6.53,-3.96,;5.19,-1.65,)|
BDBM177510 CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:10.13,wD:7.6,(.41,5.63,;-1.08,5.23,;-2.16,6.32,;-1.47,3.74,;-2.81,2.97,;-4.14,3.74,;-2.81,1.43,;-1.47,.66,;-1.47,-.88,;-.14,-1.65,;1.19,-.88,;1.19,.66,;-.14,1.43,;2.53,-1.65,;2.53,-3.19,;3.86,-3.96,;3.86,-5.5,;2.53,-6.27,;1.19,-5.5,;-.14,-6.27,;-1.47,-5.5,;-1.47,-3.96,;-.14,-3.19,;1.19,-3.96,;-2.81,-3.19,;-2.81,-1.65,;-4.14,-.88,;-4.14,.47,;-5.48,-1.65,;-6.81,-.88,;-5.48,-3.19,;-6.81,-3.96,;-4.14,-3.96,;5.19,-3.19,;6.53,-3.96,;5.19,-1.65,)|
BDBM177511 C[C@H](N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,1.1,wD:6.5,(-.14,3.51,;-1.47,4.28,;-1.08,5.77,;-2.81,3.51,;-4.14,4.28,;-2.81,1.97,;-1.47,1.2,;-1.47,-.34,;-.14,-1.11,;1.19,-.34,;1.19,1.2,;-.14,1.97,;2.53,-1.11,;2.53,-2.65,;3.86,-3.42,;3.86,-4.96,;2.53,-5.73,;1.19,-4.96,;-.14,-5.73,;-1.47,-4.96,;-1.47,-3.42,;-.14,-2.65,;1.19,-3.42,;-2.81,-2.65,;-4.14,-3.42,;-5.48,-2.65,;-6.81,-3.42,;-5.48,-1.11,;-6.81,-.34,;-4.14,-.34,;-4.14,1.01,;-2.81,-1.11,;5.19,-2.65,;6.53,-3.42,;5.19,-1.11,)|
BDBM177512 CS(=O)(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
BDBM177529 CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1ccc2nc[nH]c2c1
BDBM177530 CC(=O)c1cnc2ccc(cc2c1Nc1cc(CCN2CCCC2)cnc1C)-c1cc(Cl)c(O)c(Cl)c1
BDBM177531 CN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:12.16,wD:9.9,(.04,7.44,;-.36,5.96,;.73,4.87,;.34,3.38,;-1.15,2.98,;-2.24,4.07,;-1.84,5.56,;-1.55,1.49,;-3.04,1.09,;-.46,.4,;-.86,-1.08,;.23,-2.17,;1.72,-1.77,;2.11,-.29,;1.03,.8,;2.81,-2.86,;2.41,-4.35,;3.74,-5.12,;3.74,-6.66,;2.41,-7.43,;1.07,-6.66,;-.26,-7.43,;-1.59,-6.66,;-1.59,-5.12,;-.26,-4.35,;1.07,-5.12,;-2.93,-4.35,;-2.93,-2.81,;-4.26,-2.04,;-4.26,-.69,;-5.6,-2.81,;-6.93,-2.04,;-5.6,-4.35,;-6.93,-5.12,;-4.26,-5.12,;5.07,-4.35,;6.41,-5.12,;5.07,-2.81,)|
BDBM177532 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177533 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177534 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2ccc3nc[nH]c3c2)C(C)=O)cn1
BDBM177554 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.22,23.25,(6.44,-3.7,;5.1,-2.93,;5.1,-1.39,;3.77,-3.7,;3.77,-5.24,;2.44,-6.01,;1.1,-5.24,;-.23,-6.01,;-1.56,-5.24,;-1.56,-3.7,;-.23,-2.93,;1.1,-3.7,;2.44,-2.93,;2.44,-1.39,;1.1,-.62,;-.23,-1.39,;-1.56,-.62,;-1.56,.92,;-.23,1.69,;1.1,.92,;-2.9,1.69,;-2.9,3.23,;-1.56,4,;-4.23,4,;-5.7,3.52,;-6.6,4.77,;-5.7,6.01,;-4.23,5.54,;-2.9,-2.93,;-4.23,-3.7,;-5.56,-2.93,;-6.9,-3.7,;-5.56,-1.39,;-6.9,-.62,;-4.23,-.62,;-4.23,.92,;-2.9,-1.39,)|
BDBM177555 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](N)C(C)(C)C)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.22,23.26,(6.44,-3.46,;5.1,-2.69,;5.1,-1.15,;3.77,-3.47,;3.77,-5,;2.44,-5.78,;1.1,-5,;-.23,-5.78,;-1.56,-5,;-1.56,-3.47,;-.23,-2.69,;1.1,-3.47,;2.44,-2.69,;2.44,-1.15,;1.1,-.38,;-.23,-1.15,;-1.56,-.38,;-1.56,1.15,;-.23,1.93,;1.1,1.15,;-2.9,1.93,;-2.9,3.47,;-1.56,4.24,;-4.23,4.23,;-4.23,5.78,;-5.56,3.47,;-6.33,4.8,;-4.79,2.13,;-6.9,2.7,;-2.9,-2.69,;-4.23,-3.47,;-5.56,-2.69,;-6.9,-3.47,;-5.56,-1.15,;-6.9,-.38,;-4.23,-.38,;-4.23,1.15,;-2.9,-1.15,)|
BDBM177556 CC(=O)c1cnc2cc(F)c(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(6.44,-3.49,;5.1,-2.72,;5.1,-1.18,;3.77,-3.49,;3.77,-5.03,;2.44,-5.8,;1.1,-5.03,;-.23,-5.8,;-1.56,-5.03,;-2.9,-5.8,;-1.56,-3.49,;-.23,-2.72,;1.1,-3.49,;2.44,-2.72,;2.44,-1.18,;1.1,-.41,;1.1,1.13,;-.23,1.9,;-1.56,1.13,;-2.9,1.9,;-2.9,3.44,;-1.65,4.34,;-2.13,5.8,;-3.67,5.8,;-4.14,4.34,;-1.56,-.41,;-.23,-1.18,;-2.9,-2.72,;-4.23,-3.49,;-5.56,-2.72,;-6.9,-3.49,;-5.56,-1.18,;-6.9,-.41,;-4.23,-.41,;-4.23,1.13,;-2.9,-1.18,)|
BDBM177557 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CCCC3)c(Nc3cccc(CCN4CCCC4)c3)c2c1
BDBM176687 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc(O)cc1)C(=O)C1CC1 |r,wU:4.7,wD:1.0,(-3.44,3.85,;-2.1,3.08,;-2.1,1.54,;-.77,.77,;.56,1.54,;.56,3.08,;-.77,3.85,;1.9,.77,;1.9,-.77,;3.23,-1.54,;3.23,-3.08,;1.9,-3.85,;.56,-3.08,;-.77,-3.85,;-2.1,-3.08,;-2.1,-1.54,;-.77,-.77,;.56,-1.54,;-3.44,-.77,;-3.44,.77,;-4.77,1.54,;-6.1,.77,;-7.44,1.54,;-6.1,-.77,;-4.77,-1.54,;4.56,-.77,;4.56,.77,;5.9,-1.54,;6.67,-2.87,;7.44,-1.54,)|
BDBM176728 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.77,3.85,;-1.44,3.08,;-.1,3.85,;1.23,3.08,;1.23,1.54,;-.1,.77,;-1.44,1.54,;2.56,.77,;2.56,-.77,;3.9,-1.54,;3.9,-3.08,;2.56,-3.85,;1.23,-3.08,;-.1,-3.85,;-1.44,-3.08,;-1.44,-1.54,;-.1,-.77,;1.23,-1.54,;-2.77,-.77,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-5.44,-.77,;-4.1,-1.54,;-6.77,1.54,;-8.11,2.31,;5.23,-.77,;5.23,.77,;6.57,-1.54,;7.34,-2.87,;8.11,-1.54,)|
BDBM50043369 COc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1
BDBM50043374 COc1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1
BDBM176765 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
BDBM176809 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCN(C)CC3)c2c1
BDBM176811 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-2.46,4.49,;-1.37,3.4,;.12,3.8,;1.21,2.71,;.81,1.22,;-.68,.82,;-1.77,1.91,;1.9,.13,;1.9,-1.41,;3.23,-2.18,;3.23,-3.72,;1.9,-4.49,;.56,-3.72,;-.77,-4.49,;-2.1,-3.72,;-2.1,-2.18,;-.77,-1.41,;.56,-2.18,;-3.44,-1.41,;-3.44,.13,;-4.77,.9,;-4.77,2.44,;-6.1,.13,;-7.44,.9,;-6.1,-1.41,;-7.44,-2.18,;-4.77,-2.18,;4.56,-1.41,;4.56,.13,;5.9,-2.18,;6.67,-3.51,;7.44,-2.18,)|
BDBM176812 N[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(F)c1)C(=O)C1CC1 |r,wU:4.7,1.0,(-2.46,4.49,;-1.37,3.4,;.12,3.8,;1.21,2.71,;.81,1.22,;-.68,.82,;-1.77,1.91,;1.9,.13,;1.9,-1.41,;3.23,-2.18,;3.23,-3.72,;1.9,-4.49,;.56,-3.72,;-.77,-4.49,;-2.1,-3.72,;-2.1,-2.18,;-.77,-1.41,;.56,-2.18,;-3.44,-1.41,;-3.44,.13,;-4.77,.9,;-4.77,2.44,;-6.1,.13,;-7.44,.9,;-6.1,-1.41,;-7.44,-2.18,;-4.77,-2.18,;4.56,-1.41,;4.56,.13,;5.9,-2.18,;6.67,-3.51,;7.44,-2.18,)|
BDBM176813 CC(C1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(F)c1)C(=O)C1CC1)N(C)C
BDBM176838 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-1.41,;6,-2.18,;6,-3.72,;4.67,-1.41,;4.67,.13,;3.33,-2.18,;3.33,-3.72,;2,-4.49,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;2,-1.41,;2,.13,;.91,1.22,;1.31,2.71,;.22,3.8,;-1.27,3.4,;-2.36,4.49,;-1.66,1.91,;-.58,.82,;-3.33,-1.41,;-3.33,.13,;-4.67,.9,;-4.67,2.44,;-6,.13,;-7.34,.9,;-6,-1.41,;-7.34,-2.18,;-4.67,-2.18,)|
BDBM176903 CC(C1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1)N(C)C
BDBM176904 CN1CCC(CNc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)CC1
BDBM50043377 NCc1ccc(OCC#Cc2ccc3ccncc3c2)cc1
BDBM50043378 FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1
BDBM176845 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccncc1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-4.1,3.85,;-2.77,3.08,;-1.44,3.85,;-.1,3.08,;-.1,1.54,;-1.44,.77,;-2.77,1.54,;1.23,.77,;1.23,-.77,;2.56,-1.54,;2.56,-3.08,;1.23,-3.85,;-.1,-3.08,;-1.44,-3.85,;-2.77,-3.08,;-2.77,-1.54,;-1.44,-.77,;-.1,-1.54,;-4.1,-.77,;-4.1,.77,;-5.44,1.54,;-6.77,.77,;-6.77,-.77,;-5.44,-1.54,;3.9,-.77,;3.9,.77,;5.23,-1.54,;6,-2.87,;6.77,-1.54,)|
BDBM176846 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cn[nH]c1)C(=O)C1CC1 |r,wU:1.0,wD:4.7,(-4.25,3.85,;-2.92,3.08,;-1.59,3.85,;-.25,3.08,;-.25,1.54,;-1.59,.77,;-2.92,1.54,;1.08,.77,;1.08,-.77,;2.42,-1.54,;2.42,-3.08,;1.08,-3.85,;-.25,-3.08,;-1.59,-3.85,;-2.92,-3.08,;-2.92,-1.54,;-1.59,-.77,;-.25,-1.54,;-4.25,-.77,;-5.72,-1.25,;-6.62,,;-5.72,1.25,;-4.25,.77,;3.75,-.77,;3.75,.77,;5.08,-1.54,;5.85,-2.87,;6.62,-1.54,)|
BDBM176874 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)S(C)(=O)=O |(-2.38,5.78,;-1.29,4.69,;-1.69,3.2,;-3.18,2.8,;-4.26,3.89,;-.6,2.11,;-1,.62,;.09,-.47,;1.58,-.07,;1.98,1.42,;.89,2.51,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.7,;1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-5.33,-2.7,;-6.67,-3.47,;-5.33,-1.16,;-6.67,-.39,;-4,-.39,;-4,1.15,;-5.33,1.92,;-2.67,-1.16,;5.33,-2.7,;6.67,-3.47,;4.56,-1.36,;6.1,-1.36,)|
BDBM176877 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NCC3CCNCC3)c2c1
BDBM176879 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N3CCC(CC3)C(C)N(C)C)c2c1)S(C)(=O)=O
BDBM176910 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
BDBM176913 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1
BDBM176937 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(C)=O |(-3.6,3.89,;-2.51,2.8,;-1.02,3.2,;-.62,4.69,;-1.71,5.78,;.07,2.11,;-.33,.62,;.76,-.47,;2.25,-.07,;2.64,1.42,;1.55,2.51,;3.33,-1.16,;3.33,-2.7,;4.67,-3.47,;4.67,-5.01,;3.33,-5.78,;2,-5.01,;.67,-5.78,;-.67,-5.01,;-.67,-3.47,;.67,-2.7,;2,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-4.67,-1.16,;-6,-.39,;-4.67,-2.7,;-6,-3.47,;-7.34,-2.7,;-3.33,-3.47,;6,-2.7,;7.34,-3.47,;6,-1.16,)|
BDBM176939 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N3CCC(CN(C)C)CC3)c2c1
BDBM176941 COc1cc(cc(F)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM176959 CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:3.2,wD:6.6,(-.77,6.16,;.56,5.39,;1.9,6.16,;.56,3.85,;1.9,3.08,;1.9,1.54,;.56,.77,;.56,-.77,;1.9,-1.54,;1.9,-3.08,;3.23,-3.85,;3.23,-5.39,;1.9,-6.16,;.56,-5.39,;-.77,-6.16,;-2.1,-5.39,;-2.1,-3.85,;-.77,-3.08,;.56,-3.85,;-3.44,-3.08,;-4.77,-3.85,;-6.1,-3.08,;-7.44,-3.85,;-6.1,-1.54,;-7.44,-.77,;-4.77,-.77,;-4.77,.77,;-3.44,-1.54,;4.56,-3.08,;4.56,-1.54,;5.9,-3.85,;6.67,-5.18,;7.44,-3.85,;-.77,1.54,;-.77,3.08,)|
BDBM176961 CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:3.2,wD:6.6,(-.77,6.16,;.56,5.39,;1.9,6.16,;.56,3.85,;1.9,3.08,;1.9,1.54,;.56,.77,;.56,-.77,;1.9,-1.54,;1.9,-3.08,;3.23,-3.85,;3.23,-5.39,;1.9,-6.16,;.56,-5.39,;-.77,-6.16,;-2.1,-5.39,;-2.1,-3.85,;-.77,-3.08,;.56,-3.85,;-3.44,-3.08,;-4.77,-3.85,;-6.1,-3.08,;-7.44,-3.85,;-6.1,-1.54,;-7.44,-.77,;-4.77,-.77,;-4.77,.77,;-3.44,-1.54,;4.56,-3.08,;4.56,-1.54,;5.9,-3.85,;6.67,-5.18,;7.44,-3.85,;-.77,1.54,;-.77,3.08,)|
BDBM177032 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
BDBM177033 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cc1
BDBM177036 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CCN4CCCC4)CC3)c2c1
BDBM177037 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CCN4CCCC4)CC3)c2c1
BDBM177068 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C#N)c(N3CCC(CN4CCCC4)CC3)c2c1
BDBM177069 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)nc1
BDBM177070 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(CN4CCCC4)cc3)c2c1
BDBM177071 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CC3)C(=O)CN(C)C)c2c1
BDBM177072 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(cc3)N3CCN(C)CC3)c2c1
BDBM177073 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(=O)C2CC2)nc1
BDBM177203 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CC[C@@H](F)C4)CC3)c2c1 |r,wU:24.25,wD:27.29,32.34,(-8.11,-3.39,;-6.77,-4.16,;-5.44,-3.39,;-4.1,-4.16,;-2.77,-3.39,;-2.77,-1.85,;-4.1,-1.08,;-4.1,.46,;-5.44,-1.85,;-6.77,-1.08,;-1.44,-4.16,;-1.44,-5.7,;-.1,-6.47,;1.23,-5.7,;2.56,-6.47,;3.9,-5.7,;3.9,-4.16,;5.23,-3.39,;5.23,-1.85,;6.57,-4.16,;7.34,-5.5,;8.11,-4.16,;2.56,-3.39,;2.56,-1.85,;1.23,-1.08,;-.1,-1.85,;-1.44,-1.08,;-1.44,.46,;-2.77,1.23,;-2.77,2.77,;-1.52,3.67,;-2,5.14,;-3.54,5.14,;-4.31,6.47,;-4.02,3.67,;-.1,1.23,;1.23,.46,;1.23,-4.16,;-.1,-3.39,)|
BDBM177204 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CC[C@@H](F)C4)CC3)c2c1 |r,wU:23.24,wD:26.28,31.33,(-7.44,-1.08,;-6.1,-1.85,;-4.77,-1.08,;-4.77,.46,;-3.44,-1.85,;-3.44,-3.39,;-4.77,-4.16,;-6.1,-3.39,;-7.44,-4.16,;-2.1,-4.16,;-2.1,-5.7,;-.77,-6.47,;.56,-5.7,;1.9,-6.47,;3.23,-5.7,;3.23,-4.16,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;1.9,-3.39,;1.9,-1.85,;.56,-1.08,;-.77,-1.85,;-2.1,-1.08,;-2.1,.46,;-3.44,1.23,;-3.44,2.77,;-2.19,3.67,;-2.67,5.14,;-4.21,5.14,;-4.98,6.47,;-4.68,3.67,;-.77,1.23,;.56,.46,;.56,-4.16,;-.77,-3.39,)|
BDBM177205 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CC[C@@H](F)C4)CC3)c2c1 |r,wU:23.24,wD:26.28,31.33,(-7.44,-1.08,;-6.1,-1.85,;-6.1,-3.39,;-7.44,-4.16,;-4.77,-4.16,;-3.44,-3.39,;-3.44,-1.85,;-4.77,-1.08,;-4.77,.46,;-2.1,-4.16,;-2.1,-5.7,;-.77,-6.47,;.56,-5.7,;1.9,-6.47,;3.23,-5.7,;3.23,-4.16,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;1.9,-3.39,;1.9,-1.85,;.56,-1.08,;-.77,-1.85,;-2.1,-1.08,;-2.1,.46,;-3.44,1.23,;-3.44,2.77,;-2.19,3.67,;-2.67,5.14,;-4.21,5.14,;-4.98,6.47,;-4.68,3.67,;-.77,1.23,;.56,.46,;.56,-4.16,;-.77,-3.39,)|
BDBM177229 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C3CCNCC3)c2c1
BDBM177230 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C3CCNCC3)c2c1
BDBM177231 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,;4,-1.02,;2.67,-3.33,;2.67,-4.87,;1.33,-5.64,;,-4.87,;-1.33,-5.64,;-2.67,-4.87,;-2.67,-3.33,;-1.33,-2.56,;,-3.33,;1.33,-2.56,;1.33,-1.02,;.24,.07,;.64,1.55,;-.45,2.64,;-1.93,2.24,;-3.02,3.33,;-3.02,4.87,;-1.69,5.64,;-4.36,5.64,;-2.33,.76,;-1.24,-.33,;-4,-2.56,;-5.33,-3.33,;-6.67,-2.56,;-8,-3.33,;-6.67,-1.02,;-8,-.25,;-5.33,-.25,;-5.33,1.29,;-4,-1.02,)|
BDBM177232 COC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:10.13,wD:7.6,(-2.67,7.14,;-1.9,5.8,;-2.67,4.47,;-4.21,4.47,;-4.68,3.01,;-3.44,2.1,;-3.44,.56,;-2.1,-.21,;-2.1,-1.75,;-.77,-2.52,;.56,-1.75,;.56,-.21,;-.77,.56,;1.9,-2.52,;1.9,-4.06,;3.23,-4.83,;3.23,-6.37,;1.9,-7.14,;.56,-6.37,;-.77,-7.14,;-2.1,-6.37,;-2.1,-4.83,;-.77,-4.06,;.56,-4.83,;-3.44,-4.06,;-4.77,-4.83,;-6.1,-4.06,;-7.44,-4.83,;-6.1,-2.52,;-7.44,-1.75,;-4.77,-1.75,;-4.77,-.21,;-3.44,-2.52,;4.56,-4.06,;4.56,-2.52,;5.9,-4.83,;6.67,-6.16,;7.44,-4.83,;-2.19,3.01,)|
BDBM177233 COC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(OC)c2)C(=O)C2CC2)C1 |r,wU:10.13,wD:7.6,(-2,7.14,;-1.23,5.8,;-2,4.47,;-3.54,4.47,;-4.02,3.01,;-2.77,2.1,;-2.77,.56,;-1.44,-.21,;-1.44,-1.75,;-.1,-2.52,;1.23,-1.75,;1.23,-.21,;-.1,.56,;2.56,-2.52,;2.56,-4.06,;3.9,-4.83,;3.9,-6.37,;2.56,-7.14,;1.23,-6.37,;-.1,-7.14,;-1.44,-6.37,;-1.44,-4.83,;-.1,-4.06,;1.23,-4.83,;-2.77,-4.06,;-2.77,-2.52,;-4.1,-1.75,;-4.1,-.21,;-5.44,-2.52,;-6.77,-1.75,;-5.44,-4.06,;-6.77,-4.83,;-8.11,-4.06,;-4.1,-4.83,;5.23,-4.06,;5.23,-2.52,;6.57,-4.83,;7.34,-6.16,;8.11,-4.83,;-1.52,3.01,)|
BDBM177251 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(Cl)c(O)c(OC)c1
BDBM177252 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:9.12,wD:6.5,(-3.44,6.93,;-3.44,5.39,;-2.1,4.62,;-2.1,3.08,;-3.44,2.31,;-3.44,.77,;-2.1,,;-2.1,-1.54,;-.77,-2.31,;.56,-1.54,;.56,,;-.77,.77,;1.9,-2.31,;1.9,-3.85,;3.23,-4.62,;3.23,-6.16,;1.9,-6.93,;.56,-6.16,;-.77,-6.93,;-2.1,-6.16,;-2.1,-4.62,;-.77,-3.85,;.56,-4.62,;-3.44,-3.85,;-4.77,-4.62,;-6.1,-3.85,;-7.44,-4.62,;-6.1,-2.31,;-7.44,-1.54,;-4.77,-1.54,;-4.77,,;-3.44,-2.31,;4.56,-3.85,;4.56,-2.31,;5.9,-4.62,;6.67,-5.95,;7.44,-4.62,;-4.77,3.08,;-4.77,4.62,)|
BDBM177253 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:9.12,wD:6.5,(-3.62,6.93,;-3.62,5.39,;-2.29,4.62,;-2.29,3.08,;-3.62,2.31,;-3.62,.77,;-2.29,,;-2.29,-1.54,;-.95,-2.31,;.38,-1.54,;.38,,;-.95,.77,;1.72,-2.31,;1.72,-3.85,;3.05,-4.62,;3.05,-6.16,;1.72,-6.93,;.38,-6.16,;-.95,-6.93,;-2.29,-6.16,;-2.29,-4.62,;-.95,-3.85,;.38,-4.62,;-3.62,-3.85,;-4.95,-4.62,;-6.29,-3.85,;-7.62,-4.62,;-6.29,-2.31,;-7.62,-1.54,;-4.95,-1.54,;-4.95,,;-3.62,-2.31,;4.38,-3.85,;4.38,-2.31,;5.72,-4.62,;6.49,-5.95,;7.26,-4.62,;-4.95,3.08,;-4.95,4.62,)|
BDBM177254 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(6,-4.87,;6,-3.33,;7.34,-2.56,;4.67,-2.56,;4.67,-1.02,;3.33,-3.33,;3.33,-4.87,;2,-5.64,;.67,-4.87,;-.67,-5.64,;-2,-4.87,;-2,-3.33,;-.67,-2.56,;.67,-3.33,;2,-2.56,;2,-1.02,;.91,.07,;1.31,1.55,;.22,2.64,;-1.27,2.24,;-2.36,3.33,;-2.36,4.87,;-1.02,5.64,;-3.69,5.64,;-1.66,.76,;-.58,-.33,;-3.33,-2.56,;-4.67,-3.33,;-6,-2.56,;-7.34,-3.33,;-6,-1.02,;-7.34,-.25,;-4.67,-.25,;-4.67,1.29,;-3.33,-1.02,)|
BDBM177255 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
BDBM177262 NC1CCCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177263 CN(C)Cc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)c1
BDBM177264 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCC(O)C4)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-3.39,;-6.77,-4.16,;-5.44,-3.39,;-4.1,-4.16,;-2.77,-3.39,;-2.77,-1.85,;-4.1,-1.08,;-4.1,.46,;-5.44,-1.85,;-6.77,-1.08,;-1.44,-4.16,;-1.44,-5.7,;-.1,-6.47,;1.23,-5.7,;2.56,-6.47,;3.9,-5.7,;3.9,-4.16,;5.23,-3.39,;5.23,-1.85,;6.57,-4.16,;7.34,-5.5,;8.11,-4.16,;2.56,-3.39,;2.56,-1.85,;1.23,-1.08,;-.1,-1.85,;-1.44,-1.08,;-1.44,.46,;-2.77,1.23,;-2.77,2.77,;-1.52,3.67,;-2,5.14,;-3.54,5.14,;-4.31,6.47,;-4.02,3.67,;-.1,1.23,;1.23,.46,;1.23,-4.16,;-.1,-3.39,)|
BDBM177265 OC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:9.12,wD:6.5,(-4.98,6.47,;-4.21,5.14,;-2.67,5.14,;-2.19,3.67,;-3.44,2.77,;-3.44,1.23,;-2.1,.46,;-2.1,-1.08,;-.77,-1.85,;.56,-1.08,;.56,.46,;-.77,1.23,;1.9,-1.85,;1.9,-3.39,;3.23,-4.16,;3.23,-5.7,;1.9,-6.47,;.56,-5.7,;-.77,-6.47,;-2.1,-5.7,;-2.1,-4.16,;-.77,-3.39,;.56,-4.16,;-3.44,-3.39,;-3.44,-1.85,;-4.77,-1.08,;-4.77,.46,;-6.1,-1.85,;-7.44,-1.08,;-6.1,-3.39,;-7.44,-4.16,;-4.77,-4.16,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;-4.68,3.67,)|
BDBM177266 CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-.77,4.24,;.56,5.01,;-3.44,2.7,;-2.1,1.92,;-2.1,.38,;-.77,-.39,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-3.44,-.39,;-4.77,.38,;-4.77,1.92,;-6.1,-.39,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.7,;-4.77,-2.7,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177287 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
BDBM177290 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(F)c(O)c(Cl)c3)C(C)=O)cc2)CC1
BDBM177291 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177292 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)nc3)c2c1
BDBM177314 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C(C)C)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177315 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177316 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(=O)C3CC3)cn2)CC1
BDBM177317 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCN(C)CC4)nc3)c2c1
BDBM177318 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(F)c(O)c(Cl)c3)C(=O)C3CC3)cn2)CC1
BDBM177319 CNC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-4.77,5.01,;-3.44,4.23,;-3.44,2.69,;-2.1,1.92,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.93,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177340 N[C@H]1CC[C@@H](CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r,wU:4.7,wD:1.0,(-2.5,6.68,;-2.1,5.19,;-3.19,4.1,;-2.79,2.61,;-1.3,2.22,;-.21,3.3,;-.61,4.79,;-.9,.73,;.56,.25,;.56,-1.29,;1.9,-2.06,;1.9,-3.6,;3.23,-4.37,;3.23,-5.91,;1.9,-6.68,;.56,-5.91,;-.77,-6.68,;-2.1,-5.91,;-2.1,-4.37,;-.77,-3.6,;.56,-4.37,;-3.44,-3.6,;-3.44,-2.06,;-4.77,-1.29,;-4.77,.25,;-6.1,-2.06,;-7.44,-1.29,;-6.1,-3.6,;-7.44,-4.37,;-4.77,-4.37,;4.56,-3.6,;4.56,-2.06,;5.9,-4.37,;6.67,-5.7,;7.44,-4.37,;-.9,-1.76,;-1.81,-.52,)|
BDBM177341 CN(C)CC(O)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177342 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cc3)C(O)CN(C)C)c2c1
BDBM177343 CN(C)CC(O)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177344 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177345 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177403 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(OC)c1
BDBM177404 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(F)c(O)c(Cl)c1
BDBM177405 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177427 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC[C@H]4CO)CC3)c2c1 |r,wU:22.22,wD:25.26,31.33,(-7.34,-2.72,;-6,-3.49,;-4.67,-2.72,;-3.33,-3.49,;-2,-2.72,;-2,-1.18,;-3.33,-.41,;-3.33,1.13,;-4.67,-1.18,;-6,-.41,;-.67,-3.49,;-.67,-5.03,;.67,-5.8,;2,-5.03,;3.33,-5.8,;4.67,-5.03,;4.67,-3.49,;6,-2.72,;7.34,-3.49,;6,-1.18,;3.33,-2.72,;3.33,-1.18,;2,-.41,;.67,-1.18,;-.67,-.41,;-.67,1.13,;-2,1.9,;-2,3.44,;-.75,4.34,;-1.23,5.8,;-2.77,5.8,;-3.25,4.34,;-4.58,3.57,;-5.91,4.34,;.67,1.9,;2,1.13,;2,-3.49,;.67,-2.72,)|
BDBM177428 CCN(CC)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,wD:6.5,(-4,5.77,;-4,4.23,;-2.67,3.46,;-1.33,4.24,;-1.33,5.78,;-2.67,1.92,;-1.33,1.15,;-1.33,-.39,;,-1.16,;1.33,-.39,;1.33,1.15,;,1.92,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-5.33,-2.7,;-6.67,-3.47,;-5.33,-1.16,;-6.67,-.39,;-4,-.39,;-4,1.15,;-2.67,-1.16,;5.33,-2.69,;6.67,-3.46,;5.33,-1.15,)|
BDBM177429 Oc1c(F)cc(cc1F)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)nc3)c2c1
BDBM177430 CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(F)c2)C(=O)C2CC2)c1
BDBM177455 CN(C)CCN1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O
BDBM177456 CN(C)CCN1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177457 CN(C)CCN1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O
BDBM177458 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177486 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177487 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177490 CN1CCN(CC1)c1ccc(Nc2c(cnc3cc(C)c(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM177491 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(C)c(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.38,5.76,;-1.29,4.68,;.2,5.07,;-1.69,3.19,;-.6,2.1,;-1,.61,;.09,-.48,;1.58,-.08,;1.98,1.41,;.89,2.5,;2.67,-1.17,;2.67,-2.68,;4,-3.45,;4,-4.99,;2.67,-5.76,;1.33,-4.99,;,-5.76,;-1.33,-4.99,;-2.67,-5.76,;-1.33,-3.45,;,-2.68,;1.33,-3.45,;-2.67,-2.68,;-2.67,-1.14,;-4,-.37,;-4,.97,;-5.33,-1.14,;-6.67,-.37,;-5.33,-2.68,;-6.67,-3.45,;-4,-3.45,;5.33,-2.68,;6.67,-3.45,;5.33,-1.14,)|
BDBM177401 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-4.17,;5.33,-3.4,;5.33,-1.86,;4,-4.17,;4,-5.71,;2.67,-6.48,;1.33,-5.71,;,-6.48,;-1.33,-5.71,;-1.33,-4.17,;,-3.4,;1.33,-4.17,;2.67,-3.4,;2.67,-1.86,;1.58,-.77,;.09,-1.17,;-1,-.08,;-.6,1.41,;-1.69,2.5,;-1.29,3.99,;.17,4.46,;.17,6,;-1.29,6.48,;-2.2,5.23,;.89,1.81,;1.98,.72,;-2.67,-3.4,;-2.67,-1.86,;-4,-1.09,;-4,.45,;-5.33,-1.86,;-6.67,-1.09,;-5.33,-3.4,;-6.67,-4.17,;-4,-4.17,)|
BDBM177349 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-3.33,-.39,;-4.67,.38,;-4.67,1.92,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-4.67,-2.7,)|
BDBM177164 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
BDBM176817 CCN(CC)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |(-2.66,5.78,;-1.57,4.69,;-1.97,3.2,;-3.45,2.8,;-4.54,3.89,;-.88,2.11,;-1.28,.62,;-.19,-.47,;1.3,-.07,;1.7,1.42,;.61,2.51,;2.39,-1.16,;2.39,-2.7,;3.72,-3.47,;3.72,-5.01,;2.39,-5.78,;1.06,-5.01,;-.28,-5.78,;-1.61,-5.01,;-1.61,-3.47,;-.28,-2.7,;1.06,-3.47,;-2.95,-2.7,;-2.95,-1.16,;-4.28,-.39,;-4.28,1.15,;-5.61,-1.16,;-6.95,-.39,;-5.61,-2.7,;-6.95,-3.47,;-8.28,-2.7,;-4.28,-3.47,;5.06,-2.7,;5.06,-1.16,;6.39,-3.47,;7.16,-4.8,;7.93,-3.47,)|
BDBM176966 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN4CCOCC4)CC3)c2c1
BDBM177000 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)cc3)c2c1
BDBM177322 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(nc3)N3CCCC(N)C3)c2c1
BDBM177320 COC1CCN(C1)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |(-5.81,6.44,;-4.32,6.04,;-3.92,4.55,;-4.83,3.31,;-3.92,2.06,;-2.46,2.54,;-2.46,4.08,;-1.37,1.45,;.12,1.85,;1.21,.76,;.81,-.73,;-.68,-1.13,;-1.77,-.04,;1.9,-1.82,;1.9,-3.36,;3.23,-4.13,;3.23,-5.67,;1.9,-6.44,;.56,-5.67,;-.77,-6.44,;-2.1,-5.67,;-2.1,-4.13,;-.77,-3.36,;.56,-4.13,;-3.44,-3.36,;-4.77,-4.13,;-6.1,-3.36,;-7.44,-4.13,;-6.1,-1.82,;-7.44,-1.05,;-4.77,-1.05,;-4.77,.49,;-3.44,-1.82,;4.56,-3.36,;4.56,-1.82,;5.9,-4.13,;6.67,-5.46,;7.44,-4.13,)|
BDBM177321 COC1CCN(C1)C1CCC(CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |(-5.14,6.44,;-3.65,6.04,;-3.26,4.55,;-4.16,3.31,;-3.26,2.06,;-1.79,2.54,;-1.79,4.08,;-.7,1.45,;.78,1.85,;1.87,.76,;1.48,-.73,;-.01,-1.13,;-1.1,-.04,;2.56,-1.82,;2.56,-3.36,;3.9,-4.13,;3.9,-5.67,;2.56,-6.44,;1.23,-5.67,;-.1,-6.44,;-1.44,-5.67,;-1.44,-4.13,;-.1,-3.36,;1.23,-4.13,;-2.77,-3.36,;-2.77,-1.82,;-4.1,-1.05,;-4.1,.49,;-5.44,-1.82,;-6.77,-1.05,;-5.44,-3.36,;-6.77,-4.13,;-8.11,-3.36,;-4.1,-4.13,;5.23,-3.36,;5.23,-1.82,;6.57,-4.13,;7.34,-5.46,;8.11,-4.13,)|
BDBM177346 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(OCCN(C)C)nc3)c2c1
BDBM177347 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(OC)c1 |r,wU:18.20,wD:15.16,(8,-1.92,;6.67,-2.69,;5.33,-1.93,;5.33,-.38,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;1.33,.38,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.69,;-2.67,4.23,;-4,5,;-1.33,5.01,;-1.33,.38,;,-.38,;-2.67,-1.93,;-2.67,-.39,;-4,.38,;-4,1.92,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-8,-1.93,;-4,-2.7,)|
BDBM177348 CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-4.67,-2.7,;-6,-1.93,;-7.34,-2.7,;-6,-.39,;-7.34,.38,;-4.67,.38,;-4.67,1.92,;-3.33,-.39,)|
BDBM177377 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CCN(C)C)cc3)c2c1
BDBM177378 CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177406 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-3.97,;5.33,-3.2,;5.33,-1.66,;4,-3.97,;4,-5.51,;2.67,-6.28,;1.33,-5.51,;,-6.28,;-1.33,-5.51,;-1.33,-3.97,;,-3.2,;1.33,-3.97,;2.67,-3.2,;2.67,-1.42,;1.33,-.65,;,-1.42,;-1.33,-.65,;-1.33,.89,;-2.67,1.66,;-2.67,3.2,;-1.33,3.97,;-1.33,5.51,;-2.67,6.28,;-4,5.51,;-4,3.97,;,1.66,;1.33,.89,;-2.67,-3.2,;-2.67,-1.66,;-4,-.89,;-4,.65,;-5.33,-1.66,;-6.67,-.89,;-5.33,-3.2,;-6.67,-3.97,;-4,-3.97,)|
BDBM177407 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM177408 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(nc3)N3CCC(N)C3)c2c1
BDBM177409 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(Cl)c(O)c(OC)c1
BDBM177437 CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
BDBM177459 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM177460 CN(C)C[C@@H]1CCC[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
BDBM177461 CN(C)C[C@@H]1CCC[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r|
BDBM177462 CN1CCN(CCc2cccc(Nc3c(cnc4ccc(cc34)-c3cc(F)c(O)c(Cl)c3)C(=O)C3CC3)c2)CC1
BDBM177463 CN1CCN(CCc2cccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(=O)C3CC3)c2)CC1
BDBM177464 CN1CCN(CCc2cccc(Nc3c(cnc4ccc(cc34)-c3cc(F)c(O)c(Cl)c3)C(C)=O)c2)CC1
BDBM177492 CN(C)Cc1ccc(Nc2c(cnc3cc(C)c(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cc1
BDBM177493 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(C)c(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.51,5.78,;-1.42,4.7,;.06,5.09,;-1.82,3.21,;-.73,2.12,;-1.13,.63,;-.04,-.46,;1.44,-.06,;1.84,1.43,;.75,2.52,;2.53,-1.15,;2.53,-2.66,;3.87,-3.43,;3.87,-4.97,;2.53,-5.74,;1.2,-4.97,;-.13,-5.74,;-1.47,-4.97,;-2.8,-5.74,;-1.47,-3.43,;-.13,-2.66,;1.2,-3.43,;-2.8,-2.66,;-4.13,-3.43,;-5.47,-2.66,;-6.8,-3.43,;-5.47,-1.12,;-6.8,-.35,;-4.13,-.35,;-4.13,.99,;-2.8,-1.12,;5.2,-2.66,;6.53,-3.43,;5.2,-1.12,)|
BDBM177494 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(C1)N(C)C)-c1cc(F)c(O)c(Cl)c1
BDBM177495 CN(C)CC[C@H]1CCC[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r|
BDBM177496 CN(C)CC[C@H]1CCC[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
BDBM177497 CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(C1)N(C)C)-c1cc(Cl)c(O)c(Cl)c1
BDBM177513 CC(=O)c1cnc2ccc(cc2c1Nc1cncc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
BDBM177514 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cncc(CCN4CCCC4)c3)c2c1
BDBM177515 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cncc(CCN4CCCC4)c3)c2c1
BDBM177516 CS(=O)(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177517 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177518 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177535 CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2ccc3nc[nH]c3c2)C(C)=O)cn1
BDBM177536 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(F)c(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.23,5,;-2.9,4.23,;-1.56,5.01,;-2.9,2.69,;-1.56,1.92,;-.23,2.7,;1.1,1.92,;1.1,.38,;-.23,-.39,;-1.56,.38,;2.44,-.39,;2.44,-1.93,;3.77,-2.7,;3.77,-4.24,;2.44,-5.01,;1.1,-4.24,;-.23,-5.01,;-1.56,-4.24,;-2.9,-5,;-1.56,-2.7,;-.23,-1.92,;1.1,-2.7,;-2.9,-1.93,;-4.23,-2.7,;-5.56,-1.93,;-6.9,-2.7,;-5.56,-.39,;-6.9,.39,;-4.23,.38,;-4.23,1.92,;-2.9,-.39,;5.1,-1.92,;6.44,-2.69,;5.1,-.38,)|
BDBM177537 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(F)c(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.23,5,;-2.9,4.23,;-1.56,5.01,;-2.9,2.69,;-1.56,1.92,;-.23,2.7,;1.1,1.92,;1.1,.38,;-.23,-.39,;-1.56,.38,;2.44,-.39,;2.44,-1.93,;3.77,-2.7,;3.77,-4.24,;2.44,-5.01,;1.1,-4.24,;-.23,-5.01,;-1.56,-4.24,;-2.9,-5,;-1.56,-2.7,;-.23,-1.92,;1.1,-2.7,;-2.9,-1.93,;-4.23,-2.7,;-5.56,-1.93,;-6.9,-2.7,;-5.56,-.39,;-6.9,.39,;-4.23,.38,;-4.23,1.92,;-2.9,-.39,;5.1,-1.92,;6.44,-2.69,;5.1,-.38,)|
BDBM177538 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2ccc3nc[nH]c3c2)C(C)=O)cn1
BDBM177539 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM177558 CC(=O)c1cnc2cc(F)c(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(6.5,-3.49,;5.16,-2.72,;5.16,-1.18,;3.83,-3.49,;3.83,-5.03,;2.5,-5.8,;1.16,-5.03,;-.17,-5.8,;-1.5,-5.03,;-2.84,-5.8,;-1.5,-3.49,;-.17,-2.72,;1.16,-3.49,;2.5,-2.72,;2.5,-1.18,;1.16,-.41,;1.16,1.13,;-.17,1.9,;-1.5,1.13,;-2.84,1.9,;-2.84,3.44,;-1.59,4.34,;-2.07,5.8,;-3.61,5.8,;-4.08,4.34,;-1.5,-.41,;-.17,-1.18,;-2.84,-2.72,;-4.17,-3.49,;-5.5,-2.72,;-6.84,-3.49,;-5.5,-1.18,;-6.84,-.41,;-4.17,-.41,;-4.17,1.13,;-2.84,-1.18,)|
BDBM177559 COc1cc(cc(Cl)c1O)-c1cc2c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c(cnc2cc1F)C(C)=O |r,wU:18.19,wD:15.15,(-7.51,-2.72,;-6.17,-3.49,;-4.84,-2.72,;-3.5,-3.49,;-2.17,-2.72,;-2.17,-1.18,;-3.5,-.41,;-3.5,1.13,;-4.84,-1.18,;-6.17,-.41,;-.84,-3.49,;.5,-2.72,;1.83,-3.49,;3.16,-2.72,;3.16,-1.18,;1.83,-.41,;1.83,1.13,;.5,1.9,;-.84,1.13,;-2.17,1.9,;-2.17,3.44,;-.92,4.34,;-1.4,5.8,;-2.94,5.8,;-3.42,4.34,;-.84,-.41,;.5,-1.18,;4.5,-3.49,;4.5,-5.03,;3.16,-5.8,;1.83,-5.03,;.5,-5.8,;-.84,-5.03,;-2.17,-5.8,;5.83,-2.72,;7.17,-3.49,;5.83,-1.18,)|
BDBM177560 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CCCC3)c(Nc3cccc(CCN4CCCC4)c3)c2c1
BDBM177561 CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C(C)(C)C |r,wU:6.5,wD:9.12,(-.82,3.47,;-2.15,4.24,;-2.15,5.78,;-3.49,3.46,;-4.82,4.23,;-3.49,1.92,;-2.15,1.15,;-.82,1.93,;.51,1.15,;.51,-.39,;-.82,-1.16,;-2.15,-.39,;1.85,-1.16,;1.85,-2.7,;3.18,-3.47,;3.18,-5.01,;1.85,-5.78,;.51,-5.01,;-.82,-5.78,;-2.15,-5.01,;-2.15,-3.47,;-.82,-2.69,;.51,-3.47,;-3.49,-2.7,;-4.82,-3.47,;-6.15,-2.7,;-7.49,-3.47,;-6.15,-1.16,;-7.49,-.38,;-4.82,-.39,;-4.82,1.15,;-3.49,-1.16,;4.52,-2.69,;4.52,-1.15,;5.85,-3.46,;6.62,-2.13,;5.08,-4.8,;7.18,-4.23,)|
BDBM177562 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1ccc2cc(O)ccc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-2.85,5,;-1.52,4.23,;-.18,5.01,;-1.52,2.69,;-.18,1.92,;1.15,2.7,;2.49,1.92,;2.49,.38,;1.15,-.39,;-.18,.38,;3.82,-.39,;3.82,-1.93,;5.15,-2.7,;5.15,-4.24,;3.82,-5.01,;2.49,-4.24,;1.15,-5.01,;-.18,-4.24,;-.18,-2.7,;1.15,-1.92,;2.49,-2.7,;-1.52,-1.93,;-1.52,-.39,;-2.85,.38,;-4.18,-.39,;-5.52,.38,;-6.85,-.39,;-8.18,.38,;-6.85,-1.93,;-5.52,-2.7,;-4.18,-1.93,;-2.85,-2.7,;6.49,-1.92,;7.82,-2.69,;6.49,-.38,)|
BDBM50043379 OCC#Cc1ccc2ccncc2c1
BDBM50043380 CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
BDBM177038 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177039 COc1cc(ccc1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
BDBM177040 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3ccc(O)c(Cl)c3)C(=O)C3CC3)cc2)CC1
BDBM177041 CS(=O)(=O)c1cnc2ccc(cc2c1N1CCC(CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1
BDBM177042 CS(=O)(=O)c1cnc2ccc(cc2c1N1CCC(CN2CCCC2)CC1)-c1ccc(O)c(Cl)c1
BDBM177043 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCNCC3)c2c1
BDBM177166 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(8,-2.18,;6.67,-1.41,;5.33,-2.18,;4,-1.41,;4,.13,;2.67,-2.18,;2.67,-3.72,;1.33,-4.49,;,-3.72,;-1.33,-4.49,;-2.67,-3.72,;-2.67,-2.18,;-1.33,-1.41,;,-2.18,;1.33,-1.41,;1.33,.13,;.24,1.22,;-1.24,.82,;-2.33,1.91,;-1.93,3.4,;-3.02,4.49,;-.45,3.8,;.64,2.71,;-4,-1.41,;-4,.13,;-5.33,.9,;-5.33,2.44,;-6.67,.13,;-8,.9,;-6.67,-1.41,;-8,-2.18,;-5.33,-2.18,)|
BDBM177167 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(C)CC3)c2c1
BDBM177168 CN1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177169 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(8,-2.18,;6.67,-1.41,;5.33,-2.18,;4,-1.41,;4,.13,;2.67,-2.18,;2.67,-3.72,;1.33,-4.49,;,-3.72,;-1.33,-4.49,;-2.67,-3.72,;-2.67,-2.18,;-1.33,-1.41,;,-2.18,;1.33,-1.41,;1.33,.13,;.24,1.22,;-1.24,.82,;-2.33,1.91,;-1.93,3.4,;-3.02,4.49,;-.45,3.8,;.64,2.71,;-4,-1.41,;-4,.13,;-5.33,.9,;-5.33,2.44,;-6.67,.13,;-8,.9,;-6.67,-1.41,;-8,-2.18,;-5.33,-2.18,)|
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM177178 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(cc3)C(N)=O)c2c1
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM177179 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(cc1)C(N)=O)-c1cc(Cl)c(O)c(Cl)c1
BDBM177180 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cc3)C(N)=O)c2c1
BDBM177181 CN(C)Cc1ccc(Nc2c(cnc3cc(F)c(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177184 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCC(N)CC3)c2c1
BDBM177185 COc1cc(cc(Cl)c1O)-c1cc(F)c2ncc(C(=O)C3CC3)c(Nc3ccc(CN(C)C)cc3)c2c1
BDBM177186 CN(C)Cc1ccc(Nc2c(cnc3c(F)cc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM177187 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCC(N)CC3)c2c1
BDBM177188 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCCC(N)C3)c2c1
BDBM177189 N[C@H]1CC[C@@H](CC1)Nc1c(cnc2c(F)cc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.7,wD:1.0,(-2.46,5.26,;-1.37,4.17,;-1.77,2.68,;-.68,1.59,;.81,1.99,;1.21,3.48,;.12,4.57,;1.9,.9,;1.9,-.64,;3.23,-1.41,;3.23,-2.95,;1.9,-3.72,;.56,-2.95,;-.77,-3.72,;-.77,-5.26,;-2.1,-2.95,;-2.1,-1.41,;-.77,-.64,;.56,-1.41,;-3.44,-.64,;-4.77,-1.41,;-6.1,-.64,;-7.44,-1.41,;-6.1,.9,;-7.44,1.67,;-4.77,1.67,;-4.77,3.21,;-3.44,.9,;4.56,-.64,;4.56,.9,;5.9,-1.41,;6.67,-2.74,;7.44,-1.41,)|
BDBM177190 NC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177094 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCOCC4)cc3)c2c1
BDBM177095 O=C(C1CC1)c1cnc2ccc(cc2c1Nc1ccc(CN2CCOCC2)cc1)-c1cnc(nc1)C#N
BDBM177091 CCOc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
BDBM177092 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(OC(F)F)cc1)C(=O)C1CC1
BDBM177093 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(nc3)N3CCNCC3)c2c1
BDBM177096 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCOCC4)cc3)c2c1
BDBM177097 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCOCC4)cc3)c2c1
BDBM177098 CN(C)CC(=O)N1CC2CC1CN2c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)C(=O)C1CC1 |TLB:4:6:12.11:9,13:12:7.6:9|
BDBM177099 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(cc1)C(F)F)C(=O)C1CC1
BDBM177100 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(O)c(Cl)c1)S(C)=O
BDBM177101 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)S(C)=O
BDBM177102 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N3CCC(CN(C)C)CC3)c2c1)S(C)=O
BDBM177103 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(=O)C2CC2)cn1
BDBM177104 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(nc3)N3CCN(C)CC3)c2c1
BDBM177105 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177106 CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
BDBM177107 CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)=O)cc1
BDBM177108 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc2NC(=O)Cc2c1)C(=O)C1CC1
BDBM177109 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3cnc(nc3)N3CCN(C)CC3)c2c1
BDBM177110 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2c1
BDBM177111 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N3CCN(CC3)C(=O)CN(C)C)c2c1
BDBM177112 CN1CCN(Cc2cccc(c2)-c2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1
BDBM177113 CN1CCN(CC1)c1ncc(cn1)-c1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1
BDBM177114 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc2cc(O)ccc2[nH]1 |r,wU:16.17,wD:19.21,(7.71,-.77,;6.37,-1.54,;6.37,-3.08,;5.04,-.77,;5.04,.77,;3.71,-1.54,;3.71,-3.08,;2.37,-3.85,;1.04,-3.08,;-.29,-3.85,;-1.63,-3.08,;-1.63,-1.54,;-.29,-.77,;1.04,-1.54,;2.37,-.77,;2.37,.77,;1.04,1.54,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-2.96,3.85,;-.29,3.85,;1.04,3.08,;-2.96,-.77,;-3.12,.76,;-4.63,1.08,;-5.4,2.42,;-6.94,2.42,;-7.71,3.75,;-7.71,1.08,;-6.94,-.25,;-5.4,-.25,;-4.37,-1.4,)|
BDBM177115 COC(=O)c1ccc(cc1)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
BDBM177116 CN1CCN(Cc2ccc(cc2)-c2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1
BDBM177117 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(nc3)N3CCN(C)CC3)c2c1
BDBM177118 CN(C)CC(=O)N1CCN(CC1)c1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O
BDBM177119 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(-c3ccc(OCCN4CCCC4)cc3)c2c1
BDBM177120 CCOc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:23.23,wD:26.27,(-8,-2.18,;-6.67,-1.41,;-5.33,-2.18,;-4,-1.41,;-2.67,-2.18,;-1.33,-1.41,;-1.33,.13,;-2.67,.9,;-2.67,2.44,;-4,.13,;-5.33,.9,;,-2.18,;,-3.72,;1.33,-4.49,;2.67,-3.72,;4,-4.49,;5.33,-3.72,;5.33,-2.18,;6.67,-1.41,;8,-2.18,;6.67,.13,;4,-1.41,;4,.13,;2.91,1.22,;1.42,.82,;.34,1.91,;.73,3.4,;-.35,4.49,;2.22,3.8,;3.31,2.71,;2.67,-2.18,;1.33,-1.41,)|
BDBM177123 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(Cn4ccnc4)cc3)c2c1
BDBM177124 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(Cn4ccnc4)cc3)c2c1
BDBM177125 CS(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-4,2.44,;-5.33,.13,;-6.67,.9,;-5.33,-1.41,;-6.67,-2.18,;-4,-2.18,)|
BDBM177126 CN(C)CC1CCN(CC1)c1c(cnc2ccc(cc12)-c1ccc(cc1)C(O)=O)C(=O)C1CC1
BDBM177132 CS(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-4,2.44,;-5.33,.13,;-6.67,.9,;-5.33,-1.41,;-6.67,-2.18,;-4,-2.18,)|
BDBM177133 CS(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1ccc(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-5.33,.13,;-6.67,.9,;-5.33,-1.41,;-6.67,-2.18,;-4,-2.18,)|
BDBM177134 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](N)CC3)c2c1)S(C)=O |r,wU:19.19,wD:22.23,(-7.34,-1.41,;-6,-2.18,;-4.67,-1.41,;-3.33,-2.18,;-2,-1.41,;-2,.13,;-3.33,.9,;-3.33,2.44,;-4.67,.13,;-6,.9,;-.67,-2.18,;-.67,-3.72,;.67,-4.49,;2,-3.72,;3.33,-4.49,;4.67,-3.72,;4.67,-2.18,;3.33,-1.41,;3.33,.13,;2.25,1.22,;.76,.82,;-.33,1.91,;.07,3.4,;-1.02,4.49,;1.55,3.8,;2.64,2.71,;2,-2.18,;.67,-1.41,;6,-1.41,;7.34,-2.18,;6,.13,)|
BDBM177135 NC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-2.06,5.23,;-2.46,3.74,;-1.37,2.66,;.12,3.05,;1.21,1.96,;.81,.48,;-.68,.08,;-1.77,1.17,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM177136 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C(C)C)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:24.24,wD:27.28,(-8,-1.41,;-6.67,-2.18,;-5.33,-1.41,;-4,-2.18,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-4,2.44,;-5.33,.13,;-6.67,.9,;-1.33,-2.18,;-1.33,-3.72,;,-4.49,;1.33,-3.72,;2.67,-4.49,;4,-3.72,;4,-2.18,;5.33,-1.41,;5.33,.13,;6.67,-2.18,;8,-1.41,;6.67,-3.72,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;1.33,-2.18,;,-1.41,)|
BDBM177129 NC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-2.06,5.23,;-2.46,3.74,;-1.37,2.66,;.12,3.05,;1.21,1.96,;.81,.48,;-.68,.08,;-1.77,1.17,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM177130 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCNCC3)c2c1
BDBM177131 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCNCC3)c2c1
BDBM177137 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCNCC3)c2c1
BDBM177140 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN)cc3)c2c1
BDBM177143 NCc1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(=O)C2CC2)cc1
BDBM177144 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-2.46,5.26,;-2.46,3.72,;-1.37,2.63,;.12,3.03,;1.21,1.94,;.81,.45,;-.68,.05,;-1.77,1.14,;1.9,-.64,;1.9,-2.18,;3.23,-2.95,;3.23,-4.49,;1.9,-5.26,;.56,-4.49,;-.77,-5.26,;-2.1,-4.49,;-2.1,-2.95,;-.77,-2.18,;.56,-2.95,;-3.44,-2.18,;-3.44,-.64,;-4.77,.13,;-4.77,1.67,;-6.1,-.64,;-7.44,.13,;-6.1,-2.18,;-7.44,-2.95,;-4.77,-2.95,;4.56,-2.18,;4.56,-.64,;5.9,-2.95,;6.67,-4.28,;7.44,-2.95,)|
BDBM177145 Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnn(c3)C3CCNCC3)c2c1
BDBM177146 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnn(c3)C3CCNCC3)c2c1
BDBM177147 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:24.25,27.29,(-8.11,-1.92,;-6.77,-2.7,;-5.44,-1.93,;-4.1,-2.7,;-2.77,-1.93,;-2.77,-.39,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-1.44,-2.7,;-1.44,-4.24,;-.1,-5.01,;1.23,-4.24,;2.56,-5.01,;3.9,-4.24,;3.9,-2.7,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.39,;1.23,.38,;1.23,1.92,;-.1,2.69,;-1.44,1.92,;-2.77,2.7,;-2.77,4.24,;-4.1,5.01,;-1.44,5.01,;-1.44,.38,;-.1,-.38,;1.23,-2.7,;-.1,-1.92,)|
BDBM177148 CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,4.3,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.92,;-.77,2.69,;.56,1.92,;.56,.38,;-.77,-.38,;-2.1,.38,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177149 NC[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:5.8,2.1,(-3.44,4.62,;-3.44,3.08,;-2.1,2.31,;-.77,3.08,;.56,2.31,;.56,.77,;-.77,,;-2.1,.77,;1.9,,;1.9,-1.54,;3.23,-2.31,;3.23,-3.85,;1.9,-4.62,;.56,-3.85,;-.77,-4.62,;-2.1,-3.85,;-2.1,-2.31,;-.77,-1.54,;.56,-2.31,;-3.44,-1.54,;-4.77,-2.31,;-6.1,-1.54,;-7.44,-2.31,;-6.1,,;-7.44,.77,;-4.77,.77,;-4.77,2.31,;-3.44,,;4.56,-1.54,;4.56,,;5.9,-2.31,;6.67,-3.64,;7.44,-2.31,)|
BDBM177150 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(C3=CCNCC3)c2c1 |t:25|
BDBM177151 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-1.79,5.26,;-1.79,3.72,;-.7,2.63,;.78,3.03,;1.87,1.94,;1.48,.45,;-.01,.05,;-1.1,1.14,;2.56,-.64,;2.56,-2.18,;3.9,-2.95,;3.9,-4.49,;2.56,-5.26,;1.23,-4.49,;-.1,-5.26,;-1.44,-4.49,;-1.44,-2.95,;-.1,-2.18,;1.23,-2.95,;-2.77,-2.18,;-2.77,-.64,;-4.1,.13,;-4.1,1.67,;-5.44,-.64,;-6.77,.13,;-5.44,-2.18,;-6.77,-2.95,;-8.11,-2.18,;-4.1,-2.95,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)|
BDBM177152 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3CC[C@H](CN(C)CC#N)CC3)c2c1 |r,wU:24.25,27.29,(-8.11,-1.93,;-6.77,-2.7,;-5.44,-1.93,;-4.1,-2.7,;-2.77,-1.93,;-2.77,-.39,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-1.44,-2.7,;-1.44,-4.24,;-.1,-5.01,;1.23,-4.24,;2.56,-5.01,;3.9,-4.24,;3.9,-2.7,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.39,;1.23,.39,;1.23,1.93,;-.1,2.7,;-1.44,1.93,;-2.77,2.7,;-2.77,4.24,;-4.1,5.01,;-1.44,5.01,;-.1,4.24,;1.23,3.47,;-1.44,.39,;-.1,-.38,;1.23,-2.7,;-.1,-1.92,)|
BDBM177153 Oc1ccc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnn(c3)C3CCNCC3)c2c1
BDBM177154 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnn(c3)C3CCNCC3)c2c1
BDBM177155 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(C3=CCN(CC3)C(=O)CN(C)C)c2c1 |t:25|
BDBM177156 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-1.79,5.26,;-1.79,3.72,;-.7,2.63,;.78,3.03,;1.87,1.94,;1.48,.45,;-.01,.05,;-1.1,1.14,;2.56,-.64,;2.56,-2.18,;3.9,-2.95,;3.9,-4.49,;2.56,-5.26,;1.23,-4.49,;-.1,-5.26,;-1.44,-4.49,;-1.44,-2.95,;-.1,-2.18,;1.23,-2.95,;-2.77,-2.18,;-4.1,-2.95,;-5.44,-2.18,;-5.44,-.64,;-4.1,.13,;-2.77,-.64,;-6.77,.13,;-8.11,.9,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)|
BDBM177157 CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-2.46,5.26,;-2.46,3.72,;-1.37,2.63,;.12,3.03,;1.21,1.94,;.81,.45,;-.68,.05,;-1.77,1.14,;1.9,-.64,;1.9,-2.18,;3.23,-2.95,;3.23,-4.49,;1.9,-5.26,;.56,-4.49,;-.77,-5.26,;-2.1,-4.49,;-2.1,-2.95,;-.77,-2.18,;.56,-2.95,;-3.44,-2.18,;-4.77,-2.95,;-6.1,-2.18,;-7.44,-2.95,;-6.1,-.64,;-7.44,.13,;-4.77,.13,;-4.77,1.67,;-3.44,-.64,;4.56,-2.18,;4.56,-.64,;5.9,-2.95,;6.67,-4.28,;7.44,-2.95,)|
BDBM177158 CN(CC#N)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,6.5,(-4.77,5,;-3.44,4.23,;-2.1,5,;-.77,4.23,;.56,3.47,;-3.44,2.69,;-2.1,1.93,;-.77,2.69,;.56,1.93,;.56,.38,;-.77,-.38,;-2.1,.38,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.92,;.56,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-6.1,-.38,;-7.44,.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177159 Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cn3)N3CCNCC3)c2c1
BDBM177160 CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,4.3,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.93,;-.77,2.7,;.56,1.93,;.56,.39,;-.77,-.38,;-2.1,.39,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM177161 CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-4,2.44,;-5.33,.13,;-6.67,.9,;-5.33,-1.41,;-6.67,-2.18,;-4,-2.18,)|
BDBM177162 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cn3)N3CCNCC3)c2c1
BDBM177163 CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(OC)c1 |r,wU:16.17,wD:19.21,(8.67,-2.18,;7.34,-1.41,;6,-2.18,;4.67,-1.41,;4.67,.13,;3.33,-2.18,;3.33,-3.72,;2,-4.49,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;2,-1.41,;2,.13,;.91,1.22,;-.58,.82,;-1.66,1.91,;-1.27,3.4,;-2.36,4.49,;.22,3.8,;1.31,2.71,;-3.33,-1.41,;-3.33,.13,;-4.67,.9,;-4.67,2.44,;-6,.13,;-7.34,.9,;-6,-1.41,;-7.34,-2.18,;-8.67,-1.41,;-4.67,-2.18,)|
BDBM177170 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3cn[nH]c3)c2c1
BDBM177171 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(F)c(O)c(Cl)c1
BDBM177172 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(OC)c1
BDBM177173 CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cnc(nc1)C#N
BDBM177174 COc1cc(cc(Cl)c1O)-c1cc2c(Nc3ccc(CN(C)C)cc3)c(cnc2cc1F)C(=O)C1CC1
BDBM177175 CN(C)Cc1ccc(Nc2c(cnc3cc(F)c(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
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
BDBM177503 CN(C)C(=O)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4.08,4.53,;-2.99,3.44,;-3.39,1.95,;-1.5,3.84,;-1.1,5.32,;-.41,2.75,;-.81,1.26,;.28,.17,;1.76,.57,;2.16,2.06,;1.07,3.15,;2.93,-.71,;2.53,-2.2,;3.86,-2.97,;3.86,-4.51,;2.53,-5.28,;1.19,-4.51,;-.14,-5.28,;-1.47,-4.51,;-1.47,-2.97,;-.14,-2.2,;1.19,-2.97,;-2.81,-2.2,;-4.14,-2.97,;-5.48,-2.2,;-6.81,-2.97,;-5.48,-.66,;-6.81,.11,;-4.14,.11,;-4.14,1.46,;-2.81,-.66,;5.19,-2.2,;6.53,-2.97,;5.19,-.66,)|
BDBM177049 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177366 CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM177435 CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
BDBM177235 CC(C)(N)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
BDBM176858 CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-1.41,;6,-2.18,;6,-3.72,;4.67,-1.41,;4.67,.13,;3.33,-2.18,;3.33,-3.72,;2,-4.49,;.67,-3.72,;-.67,-4.49,;-2,-3.72,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;2,-1.41,;2,.13,;.91,1.22,;1.31,2.71,;.22,3.8,;-1.27,3.4,;-2.36,4.49,;-1.66,1.91,;-.58,.82,;-3.33,-1.41,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-6,.13,;-7.34,.9,;-4.67,.9,;-4.67,2.44,;-3.33,.13,)|
BDBM50043344 Brc1ccc(cc1)C(=O)Nc1ccc2CCNCCc2c1
BDBM60438 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)|
BDBM50081537 [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM166138 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cnc2[nH]ccc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.1,5,;-2.76,4.23,;-1.43,5,;-2.76,2.69,;-1.43,1.93,;-.09,2.69,;1.24,1.93,;1.24,.38,;-.09,-.38,;-1.43,.38,;2.57,-.38,;2.57,-1.93,;3.91,-2.69,;3.91,-4.23,;2.57,-5,;1.24,-4.23,;-.09,-5,;-1.43,-4.23,;-1.43,-2.69,;-.09,-1.93,;1.24,-2.69,;-2.76,-1.93,;-4.1,-2.69,;-5.43,-1.93,;-5.43,-.38,;-6.57,.65,;-5.95,2.05,;-4.42,1.89,;-4.1,.38,;-2.76,-.38,;5.24,-1.93,;6.57,-2.69,;5.24,-.38,)|
BDBM166139 N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM166140 COc1ccc(cc1)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:23.24,wD:20.20,(-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;-.67,.38,;.67,-.38,;2,-2.69,;.67,-1.93,)|
BDBM166141 COc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:25.26,wD:22.22,(-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-3.33,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;-.67,.38,;.67,-.38,;2,-2.69,;.67,-1.93,)|
BDBM166142 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)nc1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166059 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM166060 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
BDBM166061 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-6.1,-.38,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.69,;-4.77,-2.69,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM166062 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-6.1,-.38,;-7.44,.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
BDBM166063 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166143 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(nc1)C#N)C(C)=O |r,wU:4.3,wD:7.10,(-3.33,5,;-2,4.23,;-.67,5,;-2,2.69,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,-.38,;-.67,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;4.67,-4.23,;3.33,-5,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-7.34,1.15,;6,-1.93,;7.34,-2.69,;6,-.38,)|
BDBM166144 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)cc1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166145 CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)|
BDBM166146 CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-5.33,-1.54,;-6.67,-.77,;-4,-.77,;-4,.77,;-2.67,-1.54,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)|
BDBM166147 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](O)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-5.33,.13,;-6.67,.9,;-4,.9,;-4,2.44,;-2.67,.13,)|
BDBM166064 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166065 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:22.22,wD:25.26,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,)|
BDBM166066 CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.78,;-4,4.23,;-5.33,3.47,;-2.67,3.47,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-5.33,-2.69,;-6.67,-3.47,;-4,-3.47,;5.33,-2.69,;6.67,-3.47,;5.33,-1.15,)|
BDBM166067 CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.78,;-4,4.23,;-5.33,3.47,;-2.67,3.47,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.69,;-4,-3.47,;-5.33,-2.69,;-6.67,-3.47,;-5.33,-1.15,;-6.67,-.38,;-4,-.38,;-4,1.15,;-2.67,-1.15,;5.33,-2.69,;6.67,-3.47,;5.33,-1.15,)|
BDBM166068 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)c(OC(F)(F)F)c1)C(C)=O |r,wU:7.10,wD:4.3,(-3.33,5.39,;-2,4.62,;-.67,5.39,;-2,3.08,;-.67,2.31,;-.67,.77,;.67,,;2,.77,;2,2.31,;.67,3.08,;3.33,,;3.33,-1.54,;4.67,-2.31,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;.67,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;-2,-1.54,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-4.67,-1.54,;-6,-2.31,;-6,-3.85,;-7.34,-4.62,;-4.67,-4.62,;-6,-5.39,;-3.33,-2.31,;6,-1.54,;7.34,-2.31,;6,,)|
BDBM166148 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](O)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-5.33,.13,;-6.67,.9,;-4,.9,;-4,2.44,;-2.67,.13,)|
BDBM166149 CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166150 CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5.01,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.92,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.38,;-4,1.92,;-2.67,-.39,;5.33,-1.93,;6.67,-2.7,;5.33,-.39,)|
BDBM166151 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM166152 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
BDBM166069 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;6.1,-.59,;4.56,-.59,)|
BDBM166070 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;6.1,-.59,;4.56,-.59,)|
BDBM166071 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1)S(C)(=O)=O |r,wU:19.19,wD:22.23,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,;6,-1.93,;7.34,-2.69,;6.77,-.59,;5.23,-.59,)|
BDBM166072 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;6.1,-.82,;4.56,-.82,)|
BDBM166073 CN(C)Cc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cc1
BDBM166153 N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM166154 N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM166155 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:6.9,wD:3.2,(-3.84,3.35,;-2.36,3.74,;-1.96,5.23,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;.91,.48,;1.31,1.96,;.22,3.05,;2,-.61,;2,-2.15,;3.33,-2.92,;3.33,-4.46,;2,-5.23,;.67,-4.46,;-.67,-5.23,;-2,-4.46,;-2,-2.92,;-.67,-2.15,;.67,-2.92,;-3.33,-2.15,;-4.67,-2.92,;-6,-2.15,;-7.34,-2.92,;-6,-.61,;-7.34,.16,;-4.67,.16,;-4.67,1.7,;-3.33,-.61,;4.67,-2.15,;4.67,-.61,;6,-2.92,;7.34,-2.15,)|
BDBM166156 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)CO |r,wU:7.10,wD:4.3,(-3.05,5.78,;-1.96,4.69,;-.47,5.09,;-2.36,3.2,;-1.27,2.11,;-1.66,.62,;-.58,-.47,;.91,-.07,;1.31,1.42,;.22,2.51,;2,-1.16,;2,-2.7,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,;4.67,-2.7,;4.67,-1.16,;6,-3.47,;7.34,-2.7,)|
BDBM166157 CCC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.7,;6,-3.47,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;-.58,-.47,;-1.66,.62,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;.22,2.51,;1.31,1.42,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
BDBM166074 CN(C)Cc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cc1
BDBM166075 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(Nc3ccc(CN(C)C)cc3)c2n1)S(C)(=O)=O
BDBM166076 CC(=O)c1cnc2ccc(nc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
BDBM166077 CC(=O)c1cnc2ccc(nc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
BDBM166078 CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166079 CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166158 CCC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.7,;6,-3.47,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;-.58,-.47,;-1.66,.62,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;.22,2.51,;1.31,1.42,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
BDBM166080 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(OCCN(C)C)nc3)c2n1
BDBM166081 CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM166082 CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1
BDBM166083 COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(Nc3ccc(OCCN(C)C)nc3)c2n1)S(C)(=O)=O
BDBM166084 CN1CCC(CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1
BDBM166085 CN(C)CCc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
BDBM166086 CN(C)CCc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cc1
BDBM166087 COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CCN(C)C)cc3)c2n1
BDBM166088 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-4,-2.92,;-5.33,-2.15,;-6.67,-2.92,;-5.33,-.61,;-6.67,.16,;-4,.16,;-4,1.7,;-2.67,-.61,;5.33,-2.15,;6.67,-2.92,;6.1,-.82,;4.56,-.82,)|
BDBM166089 CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166090 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(nc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)cc2)CC1
BDBM166091 CN1CCN(Cc2ccc(Nc3c(cnc4ccc(nc34)-c3cc(F)c(O)c(Cl)c3)C(C)=O)cc2)CC1
BDBM166092 CC(=O)c1cnc2ccc(nc2c1N1CCC(CCN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1
BDBM166093 CC(=O)c1cnc2ccc(nc2c1N1CCC(CCN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1
BDBM166094 CN(C)CCNc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166095 CN(C)CCNc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166096 N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
BDBM166097 CC(=O)c1cnc2ccc(nc2c1Nc1cnc(nc1)N1CCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM166098 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cn[nH]c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.82,5,;-3.48,4.23,;-2.15,5,;-3.48,2.69,;-2.15,1.93,;-.82,2.69,;.52,1.93,;.52,.38,;-.82,-.38,;-2.15,.38,;1.85,-.38,;1.85,-1.93,;3.19,-2.69,;3.19,-4.23,;1.85,-5,;.52,-4.23,;-.82,-5,;-2.15,-4.23,;-2.15,-2.69,;-.82,-1.93,;.52,-2.69,;-3.48,-1.93,;-4.95,-2.4,;-5.85,-1.15,;-4.95,.09,;-3.48,-.38,;4.52,-1.93,;5.85,-2.69,;4.52,-.38,)|
BDBM166099 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-2.31,;5.33,-1.54,;5.33,,;4,-2.31,;4,-3.85,;2.67,-4.62,;1.33,-3.85,;,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,.77,;;-2.67,-1.54,;-2.67,,;-4,.77,;-4,2.31,;-5.33,,;-6.67,.77,;-5.33,-1.54,;-6.67,-2.31,;-4,-2.31,)|
BDBM166100 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:7.10,wD:4.3,(-4.67,5,;-3.33,4.23,;-2,5,;-3.33,2.69,;-2,1.93,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;2,-.38,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-6,-1.93,;-7.34,-2.69,;-4.67,-2.69,;4.67,-1.93,;4.67,-.38,;6,-2.69,;7.34,-1.93,)|
BDBM166101 CN1CCC(CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O
BDBM166102 CN1CCC(CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O
BDBM166103 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4,5.39,;-4,3.85,;-1.33,-.77,;,-1.54,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,)|
BDBM166104 CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166105 CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166106 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(F)c1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
BDBM166107 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166108 CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166109 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166110 CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
BDBM166111 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc2[nH]cnc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-.82,5,;-2.15,4.23,;-3.48,5,;-2.15,2.69,;-.82,1.93,;.52,2.69,;1.85,1.93,;1.85,.38,;.52,-.38,;-.82,.38,;3.19,-.38,;3.19,-1.93,;4.52,-2.69,;4.52,-4.23,;3.19,-5,;1.85,-4.23,;.52,-5,;-.82,-4.23,;-.82,-2.69,;.52,-1.93,;1.85,-2.69,;-2.15,-1.93,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.28,.09,;-7.19,-1.15,;-6.28,-2.4,;-4.82,-1.93,;-3.48,-2.69,;5.85,-1.93,;7.19,-2.69,;5.85,-.38,)|
BDBM166112 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccncc1)C(C)=O |r,wU:4.3,wD:7.10,(-2,5,;-3.33,4.23,;-4.67,5,;-3.33,2.69,;-2,1.93,;-.67,2.69,;.67,1.93,;.67,.38,;-.67,-.38,;-2,.38,;2,-.38,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;4.67,-1.93,;6,-2.69,;4.67,-.38,)|
BDBM166113 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cnc(nc1)C#N)C(C)=O |r,wU:4.3,wD:7.10,(-.67,5,;-2,4.23,;-3.33,5,;-2,2.69,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,-.38,;-.67,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;4.67,-4.23,;3.33,-5,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-7.34,1.15,;6,-1.93,;7.34,-2.69,;6,-.38,)|
BDBM166114 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1c(C)n[nH]c1C)C(C)=O |r,wU:4.3,wD:7.10,(-3.54,5.64,;-2.77,4.31,;-3.54,2.98,;-1.23,4.31,;-.46,2.98,;1.08,2.98,;1.85,1.64,;1.08,.31,;-.46,.31,;-1.23,1.64,;1.85,-1.02,;1.85,-2.56,;3.19,-3.33,;3.19,-4.87,;1.85,-5.64,;.52,-4.87,;-.82,-5.64,;-2.15,-4.87,;-2.15,-3.33,;-.82,-2.56,;.52,-3.33,;-3.48,-2.56,;-4.95,-3.04,;-5.72,-4.37,;-5.85,-1.79,;-4.95,-.55,;-3.48,-1.02,;-2.15,-.25,;4.52,-2.56,;5.85,-3.33,;4.52,-1.02,)|
BDBM166115 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(C)c(O)c(C)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.38,5.78,;-1.29,4.69,;.2,5.09,;-1.69,3.2,;-.6,2.11,;-1,.62,;.09,-.47,;1.58,-.07,;1.98,1.42,;.89,2.51,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.7,;1.33,-3.47,;-2.67,-2.7,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,-1.16,;-6.67,-.39,;-5.33,-2.7,;-6.67,-3.47,;-4,-3.47,;5.33,-2.7,;6.67,-3.47,;5.33,-1.16,)|
BDBM166116 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)c(Cl)c1
BDBM166117 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)|
BDBM166118 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;1.33,1.13,;,1.9,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-1.33,-.41,;,-1.18,;-2.67,-2.72,;-4,-3.49,;-5.33,-2.72,;-6.67,-3.49,;-5.33,-1.18,;-6.67,-.41,;-4,-.41,;-4,1.13,;-2.67,-1.18,)|
BDBM166119 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.5,wD:9.12,(-2.67,6.93,;-2.67,5.39,;-1.33,4.62,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;2.67,-2.31,;2.67,-3.85,;4,-4.62,;4,-6.16,;2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;-2.67,-3.85,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-6.67,-1.54,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;5.33,-3.85,;6.67,-4.62,;5.33,-2.31,;-4,3.08,;-4,4.62,)|
BDBM166120 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
BDBM166121 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
BDBM166122 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-1.71,;5.33,-.94,;5.33,.6,;4,-1.71,;4,-3.25,;2.67,-4.02,;1.33,-3.25,;,-4.02,;-1.33,-3.25,;-1.33,-1.71,;,-.94,;1.33,-1.71,;2.67,-.94,;2.67,.94,;1.33,1.71,;,.94,;-1.33,1.71,;-1.33,3.25,;-2.67,4.02,;,4.02,;1.33,3.25,;-2.67,-.94,;-2.67,.6,;-4,1.37,;-4,2.91,;-5.33,.6,;-6.67,1.37,;-5.33,-.94,;-6.67,-1.71,;-4,-1.71,)|
BDBM166123 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-1.71,;5.33,-.94,;5.33,.6,;4,-1.71,;4,-3.25,;2.67,-4.02,;1.33,-3.25,;,-4.02,;-1.33,-3.25,;-1.33,-1.71,;,-.94,;1.33,-1.71,;2.67,-.94,;2.67,.94,;1.33,1.71,;1.33,3.25,;,4.02,;-1.33,3.25,;-2.67,4.02,;-1.33,1.71,;,.94,;-2.67,-.94,;-4,-1.71,;-5.33,-.94,;-6.67,-1.71,;-5.33,.6,;-6.67,1.37,;-4,1.37,;-4,2.91,;-2.67,.6,)|
BDBM166124 CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:9.12,wD:6.5,(-.09,7.46,;-.49,5.98,;.6,4.89,;.2,3.4,;-1.29,3,;-1.69,1.51,;-.6,.42,;-1,-1.06,;.09,-2.15,;1.58,-1.75,;1.98,-.27,;.89,.82,;2.67,-2.84,;2.67,-4.38,;4,-5.15,;4,-6.69,;2.67,-7.46,;1.33,-6.69,;,-7.46,;-1.33,-6.69,;-1.33,-5.15,;,-4.38,;1.33,-5.15,;-2.67,-4.38,;-4,-5.15,;-5.33,-4.38,;-6.67,-5.15,;-5.33,-2.84,;-6.67,-2.07,;-4,-2.07,;-4,-.53,;-2.67,-2.84,;5.33,-4.38,;6.67,-5.15,;5.33,-2.84,;-2.38,4.09,;-1.98,5.58,)|
BDBM166125 CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-.49,6.72,;.6,5.63,;2.08,6.03,;.2,4.14,;1.29,3.05,;-1.29,3.74,;-2.38,4.83,;-1.69,2.26,;-.6,1.17,;-1,-.32,;.09,-1.41,;1.58,-1.01,;1.98,.48,;.89,1.57,;2.67,-2.1,;2.67,-3.64,;4,-4.41,;4,-5.95,;2.67,-6.72,;1.33,-5.95,;,-6.72,;-1.33,-5.95,;-1.33,-4.41,;,-3.64,;1.33,-4.41,;-2.67,-3.64,;-4,-4.41,;-5.33,-3.64,;-6.67,-4.41,;-5.33,-2.1,;-6.67,-1.33,;-4,-1.33,;-4,.21,;-2.67,-2.1,;5.33,-3.64,;6.67,-4.41,;5.33,-2.1,)|
BDBM166126 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4,5.39,;-4,3.85,;-1.33,-.77,;,-1.54,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,)|
BDBM166127 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
BDBM166128 CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
BDBM166129 CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,wD:6.5,(,3.7,;-1.33,4.47,;-1.33,6.01,;-2.67,3.7,;-4,4.47,;-2.67,2.16,;-1.33,1.39,;-1.33,-.15,;,-.92,;1.33,-.15,;1.33,1.39,;,2.16,;2.67,-.92,;2.67,-2.93,;4,-3.7,;4,-5.24,;2.67,-6.01,;1.33,-5.24,;,-6.01,;-1.33,-5.24,;-1.33,-3.7,;,-2.93,;1.33,-3.7,;-2.67,-2.93,;-2.67,-1.39,;-4,-.62,;-4,.92,;-5.33,-1.39,;-6.67,-.62,;-5.33,-2.93,;-6.67,-3.7,;-4,-3.7,;5.33,-2.93,;6.67,-3.7,;5.33,-1.39,)|
BDBM166130 CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(,3.7,;-1.33,4.47,;-1.33,6.01,;-2.67,3.7,;-4,4.47,;-2.67,2.16,;-1.33,1.39,;,2.16,;1.33,1.39,;1.33,-.15,;,-.92,;-1.33,-.15,;2.67,-.92,;2.67,-2.93,;4,-3.7,;4,-5.24,;2.67,-6.01,;1.33,-5.24,;,-6.01,;-1.33,-5.24,;-1.33,-3.7,;,-2.93,;1.33,-3.7,;-2.67,-2.93,;-4,-3.7,;-5.33,-2.93,;-6.67,-3.7,;-5.33,-1.39,;-6.67,-.62,;-4,-.62,;-4,.92,;-2.67,-1.39,;5.33,-2.93,;6.67,-3.7,;5.33,-1.39,)|
BDBM166131 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.22,23.25,wD:14.15,(6.67,-3.79,;5.33,-3.02,;5.33,-1.48,;4,-3.79,;4,-5.33,;2.67,-6.1,;1.33,-5.33,;,-6.1,;-1.33,-5.33,;-1.33,-3.79,;,-3.02,;1.33,-3.79,;2.67,-3.02,;2.67,-1.31,;1.33,-.54,;1.33,1,;,1.77,;-1.33,1,;-1.33,-.54,;,-1.31,;-2.67,1.77,;-2.67,3.31,;-4,4.08,;-1.33,4.08,;.13,3.61,;1.04,4.85,;.13,6.1,;-1.33,5.62,;-2.67,-3.02,;-2.67,-1.48,;-4,-.71,;-4,.83,;-5.33,-1.48,;-6.67,-.71,;-5.33,-3.02,;-6.67,-3.79,;-4,-3.79,)|
BDBM166132 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,23.25,wD:17.22,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.58,-.45,;.09,-.85,;-1,.24,;-.6,1.72,;.89,2.12,;1.98,1.03,;-1.69,2.81,;-1.29,4.3,;-2.38,5.39,;.2,4.7,;1.44,3.79,;2.69,4.7,;2.21,6.16,;.67,6.16,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-5.33,-1.54,;-6.67,-.77,;-4,-.77,;-4,.77,;-2.67,-1.54,)|
BDBM166133 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)N1CCC(O)C1 |r,wU:14.15,wD:17.19,(5.85,-4.31,;4.52,-3.54,;4.52,-2,;3.19,-4.31,;3.19,-5.85,;1.85,-6.62,;.52,-5.85,;-.82,-6.62,;-2.15,-5.85,;-2.15,-4.31,;-.82,-3.54,;.52,-4.31,;1.85,-3.54,;1.85,-2,;.76,-.92,;-.72,-1.31,;-1.81,-.23,;-1.42,1.26,;-2.5,2.35,;-2.11,3.84,;-3.01,5.08,;-2.11,6.33,;-.64,5.85,;.69,6.62,;-.64,4.31,;.07,1.66,;1.16,.57,;-3.48,-3.54,;-4.95,-4.02,;-5.85,-2.77,;-4.95,-1.53,;-5.72,-.2,;-3.48,-2,)|
BDBM166134 CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)N1CCCC1 |r,wU:14.15,wD:17.19,(5.85,-4.17,;4.52,-3.4,;4.52,-1.86,;3.19,-4.17,;3.19,-5.71,;1.85,-6.48,;.52,-5.71,;-.82,-6.48,;-2.15,-5.71,;-2.15,-4.17,;-.82,-3.4,;.52,-4.17,;1.85,-3.4,;1.85,-1.86,;.76,-.77,;-.72,-1.17,;-1.81,-.08,;-1.42,1.41,;-2.5,2.5,;-2.11,3.99,;-.64,4.46,;-.64,6,;-2.11,6.48,;-3.01,5.23,;.07,1.81,;1.16,.72,;-3.48,-3.4,;-3.48,-1.86,;-4.95,-1.38,;-5.85,-2.63,;-4.95,-3.87,)|
BDBM166135 CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-.49,6.72,;.6,5.63,;2.08,6.03,;.2,4.14,;1.29,3.05,;-1.29,3.74,;-2.38,4.83,;-1.69,2.26,;-.6,1.17,;-1,-.32,;.09,-1.41,;1.58,-1.01,;1.98,.48,;.89,1.57,;2.67,-2.1,;2.67,-3.64,;4,-4.41,;4,-5.95,;2.67,-6.72,;1.33,-5.95,;,-6.72,;-1.33,-5.95,;-1.33,-4.41,;,-3.64,;1.33,-4.41,;-2.67,-3.64,;-2.67,-2.1,;-4,-1.33,;-4,.21,;-5.33,-2.1,;-6.67,-1.33,;-5.33,-3.64,;-6.67,-4.41,;-4,-4.41,;5.33,-3.64,;6.67,-4.41,;5.33,-2.1,)|
BDBM166136 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM166137 CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13