BindingDB logo
myBDB logout

1494 SMILES Strings for Apelin receptor

Compound NameSMILES String
BDBM8551 Clc1ccccc1CSc1nnc(o1)-c1ccncc1
BDBM19164 O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
BDBM21629 Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM21618 COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM31072 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
BDBM31074 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
BDBM33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33081 CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33096 OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33098 OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM32307 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM32264 C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
BDBM32033 CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
BDBM34443 CCOC(=O)c1c(NC(=O)c2ccco2)scc1C1COc2ccccc2O1
BDBM34922 OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
BDBM37257 CCOC(=O)\C=C\S(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM39035 CCOC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:10|
BDBM38993 CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
BDBM38921 CCSc1nnc(NC(=O)c2ccccn2)s1
BDBM38931 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
BDBM38416 Cc1cc(C)n2nc3nc(nc(-c4ccco4)c3c2n1)N1CCCCC1
BDBM36947 COC(=O)CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
BDBM37226 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
BDBM41591 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
BDBM41593 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
BDBM41585 CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
BDBM40988 CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:30,t:16|
BDBM40197 Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
BDBM39739 Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
BDBM43482 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|
BDBM43484 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O |c:17|
BDBM43348 COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1
BDBM43463 COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
BDBM43465 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
BDBM43203 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
BDBM42317 CC1CCCCN1C(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccc2OCOc2c1
BDBM45612 CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM45262 Clc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
BDBM45657 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
BDBM44170 CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
BDBM48020 [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
BDBM48833 COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
BDBM47677 [O-][N+](=O)c1cccc(c1)C(=O)N[N-][C+](c1ccccc1)c1ccccn1
BDBM46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
BDBM51017 CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
BDBM50169 [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccc(Cl)nn2)c1 |w:10.9|
BDBM49862 Fc1ccc(NC(=S)Nc2nccs2)cc1
BDBM50895 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
BDBM50392 COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5|
BDBM50943 Cc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc12
BDBM49381 Cc1cccnc1Nc1nc(cs1)-c1ccccn1
BDBM52304 COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
BDBM52656 CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|
BDBM52665 CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4|
BDBM52732 CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 |c:5|
BDBM51796 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
BDBM51939 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM52141 CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
BDBM55728 Cc1ccc2oc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
BDBM55762 Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O
BDBM54798 Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
BDBM54799 Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
BDBM54428 Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
BDBM54529 Clc1ccc(cc1)C(=O)NN=Cc1ccccn1
BDBM54506 Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
BDBM54814 Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
BDBM54534 CC(=NNC(=O)c1ccccc1F)c1ccccn1 |w:2.2|
BDBM54819 CC(C)(C)c1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
BDBM54827 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
BDBM54838 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
BDBM54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM54432 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
BDBM55339 CN(C)CC(=O)c1ccc(cc1)-c1ccccc1
BDBM54365 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccccc2[N+]([O-])=O)n1 |w:13.13|
BDBM54371 Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
BDBM54335 Cc1ccc(C)c(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
BDBM58380 Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
BDBM57944 Fc1ccc2nc(NC(=O)c3ccccn3)sc2c1
BDBM58385 COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(OC)c1OC
BDBM58188 Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1
BDBM57870 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
BDBM57567 COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
BDBM57652 Cc1ccc(C)c(NC(=S)NN=C2CCCCc3ccccc23)c1 |w:11.10|
BDBM57596 Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
BDBM57597 Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
BDBM57711 CN1C(=O)C(=NNc2nc(cs2)-c2ccccc2)c2ccccc12 |w:5.5|
BDBM56514 COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1cccc(Cl)c1N1CCOCC1
BDBM60275 CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1 |w:2.2|
BDBM60277 CC(=NNC(=O)c1ccccc1Cl)c1ccccn1 |w:2.2|
BDBM60279 Brc1ccccc1C(=O)Sc1cccc2cccnc12
BDBM60285 CCCOc1cccc(c1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM61076 Cc1ccc(NS(=O)(=O)c2cc(ccc2N=NCc2sc(nc2-c2ccccc2)N2CCOCC2)[N+]([O-])=O)c(C)c1 |w:15.15|
BDBM60249 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N\N=C\c1ccccn1
BDBM60214 Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
BDBM60223 Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
BDBM60226 COc1cccc(c1)C(=O)NN=C(c1ccccc1)c1ccccn1
BDBM60286 CC(=NNC(=O)c1cccc(Br)c1)c1ccccn1 |w:2.2|
BDBM60251 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccccn1
BDBM60228 CC(Oc1ccc(cc1)[N+]([O-])=O)C(=O)NN=C(C)c1ccccn1 |w:15.15|
BDBM60229 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
BDBM60234 CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|
BDBM60259 Fc1cc(F)c2nc(NC(=O)c3ccccn3)sc2c1
BDBM60262 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(=O)c1ccccn1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM60263 O=C(NN=Cc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1
BDBM60373 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N |t:7|
BDBM60264 Brc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM60265 Clc1c(sc2ccccc12)C(=O)NN=Cc1ccccn1
BDBM60965 Cc1ccc(SSc2cc(C)ccc2N)c(N)c1
BDBM60227 Cc1cccc(CSc2cccc3cccnc23)c1
BDBM60241 Clc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM59072 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1
BDBM59888 Cc1ccc(cc1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:8.9|
BDBM59989 CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(c1O)C(C)(C)C
BDBM59728 CCN(CC)CC(=O)c1ccc(cc1)-c1ccccc1
BDBM58565 Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
BDBM58569 Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
BDBM58588 COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12
BDBM58440 CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
BDBM58876 CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
BDBM58626 Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
BDBM58709 Clc1ccc(cc1Cl)C(=O)NN=Cc1ccccn1
BDBM58705 Fc1cccc(c1)C(=O)NN=C(c1ccccc1)c1cccnc1
BDBM63210 CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O
BDBM62430 CC(C)C(=O)Nc1cccc(c1)C(=O)OCC(=O)c1ccc(Cl)cc1Cl
BDBM62230 [O-][N+](=O)c1cnc(Sc2ccncn2)s1
BDBM61540 CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
BDBM61541 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2Cl)cn1 |w:11.11|
BDBM66015 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM66061 N=C1S\C(=C/c2ccco2)C(=O)N1c1nccs1
BDBM66072 CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1 |w:2.2|
BDBM66074 Cc1ccc(cc1)C(=O)Sc1cccccc1=O
BDBM64465 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM64173 O=C(C#Cc1ccccc1)c1ccco1
BDBM64104 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
BDBM64647 CCC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM64720 Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1
BDBM65098 CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
BDBM65102 Cc1nc([nH]c(=O)c1Cc1ccccc1)-n1[nH]c2CCCCc2c1=O
BDBM65328 CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(cc1)-c1ccccc1
BDBM64943 Cc1cc(C)c2ccc(N)nc2c1O
BDBM64703 Oc1c(ccc2cccnc12)C(N1CCCC1)c1ccccc1Cl
BDBM63893 Cn1ncc2c(ON=C(N)c3ccc(cc3)C(C)(C)C)ncnc12 |w:7.6|
BDBM67280 COc1ccc(cc1)C(=O)CNc1ccccc1CO
BDBM67286 CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
BDBM67295 Brc1ccc(cc1)\N=N\c1ccc2ccccc2n1
BDBM67299 [O-][N+](=O)c1c(Nc2ccccn2)cc(Cl)c2nonc12
BDBM67300 Cc1nnsc1C(=O)NNc1ccc(cc1)C(C)(C)C
BDBM67301 Cc1cc(no1)C(=O)NNc1ccc(C)c(C)c1
BDBM67302 CCc1ccc(cc1)C(=O)NNc1ccc(C)c(Cl)c1
BDBM67303 Clc1ccsc1C(=O)NNc1ccc(Cl)cc1
BDBM67304 Cc1noc(C)c1C(=O)NNc1ccc(C)c(Cl)c1
BDBM67305 CC(C)c1ccc(NNC(=O)c2c(C)noc2C)cc1
BDBM67306 CCc1ccc(cc1)C(=O)NNc1ccc(Cl)cc1
BDBM67307 OC(=O)c1ccccc1NCC(=O)c1ccccc1
BDBM67308 Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
BDBM67314 Clc1cccc(NCC(=O)c2ccc(Br)cc2)c1
BDBM67318 Cc1cccc2=C(Nc3ccc(Cl)cc3)C(=O)N=c12 |c:5,t:18|
BDBM67319 CSc1cccc(NC2=c3ccccc3=NC2=O)c1 |c:8,15|
BDBM67321 Cc1ccc(cc1)C(=O)CNc1cc(C)ccc1C
BDBM67323 Cc1cccc(NC2=c3cccc(Cl)c3=NC2=O)c1 |c:7,15|
BDBM67324 Cc1ccc(NC2=c3cccc(C)c3=NC2=O)cc1 |c:6,14|
BDBM67325 Brc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM67327 Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
BDBM67328 CC(=O)c1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:8,15|
BDBM67332 Oc1cccc2ccc(\C=C\c3ccccc3Cl)nc12
BDBM67337 CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1 |w:2.2|
BDBM67148 ON1[C@H]2CCCC[C@H]2N(O)C1c1ccc(Cl)cc1Cl
BDBM67152 COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
BDBM67159 CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc12
BDBM67341 NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1
BDBM67342 Fc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM67343 Cc1cccc(C=NNC(=O)c2cccc(Cl)c2)n1
BDBM67162 Clc1ccc(cc1Cl)C(=O)COC(=O)c1cccnc1
BDBM67165 Clc1ccccc1C1c2ccccc2CCNC1=S
BDBM67168 Oc1cccc2ccc(\C=C\c3cccs3)nc12
BDBM67344 COc1ccccc1NCC(=O)c1ccc(Cl)cc1
BDBM67345 Cc1ccc(cc1)C(=O)CNc1ccccc1
BDBM67346 Brc1ccc(s1)C(=O)CNc1ccc(Br)cc1
BDBM67170 CC1CC2=C(CC1C=NNC(N)=S)C(C)(C)CCC2 |w:8.9,c:3|
BDBM67182 CC(C)NC(=S)NN=C1CCCCC1C1CCCCC1 |w:7.6|
BDBM67194 Cc1ccc(cc1)C(=O)CNc1ccc(Br)cc1
BDBM67347 COc1ccc(cc1)C(=O)CNc1cccc(F)c1
BDBM67349 Cc1ccc(NC2=c3cc(Br)ccc3=NC2=O)cc1 |c:6,14|
BDBM67350 NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1
BDBM67195 Cc1ccc(NCC(=O)c2ccccc2)cc1Cl
BDBM67204 CC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:2.2|
BDBM67205 Clc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
BDBM67387 Clc1ccc(C(=O)COC(=O)c2ccccn2)c(Cl)c1
BDBM67391 Cc1ccc2N(C(=O)C(=O)c2c1)c1ccc(Cl)cc1
BDBM67393 Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1
BDBM67206 Brc1ccc(NCC(=O)c2ccccc2)cc1
BDBM67219 CN(\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccccc1
BDBM67220 Cc1ccc(cc1)C(=O)CNc1ccc(C)c(Cl)c1
BDBM67229 Clc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
BDBM67238 COc1ccc(cc1)C(=O)NC(=S)Nc1nnn(C)n1
BDBM67239 Cc1csc(NC(=S)Nc2cccc(Cl)c2)n1
BDBM67240 S=C(NN=Cc1ccccc1)N1CCOCC1 |w:3.2|
BDBM67244 CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
BDBM67260 Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
BDBM67270 NNc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM67271 Clc1ccc(cc1Cl)C(=O)COC(=O)c1ccncc1
BDBM67278 CCCCCC1CCC(CC1)c1n[nH]c(=S)n1C |(3.08,-7.2,;3.08,-5.66,;4.41,-4.89,;4.41,-3.35,;5.75,-2.58,;5.75,-1.04,;7.08,-.27,;7.08,1.27,;5.75,2.04,;4.41,1.27,;4.41,-.27,;5.75,3.58,;4.5,4.49,;4.98,5.95,;6.52,5.95,;7.42,7.2,;6.99,4.49,;8.46,4.01,)|
BDBM67392 COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
BDBM67147 Cc1ccc2n(nnc2c1)C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1
BDBM67183 N#C\[#6](=[#6]\[#6]-1=[#6]-2-[#8]-[#6](=[#6]-[#6](=[#6]-2-[#6]-[#6]-[#6]1)-c1ccccc1)-c1ccccc1)C#N |c:4,7,9|
BDBM67184 CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
BDBM67185 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
BDBM67186 Clc1ccc(C(=O)COC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc3ncccc23)c(Cl)c1
BDBM67187 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl
BDBM67188 OCC1(CO)COC(=O)C(NNc2ccc(Cl)c(Cl)c2)=N1 |c:20|
BDBM67189 NNc1nc(cc(n1)-c1ccccc1O)-c1ccccc1
BDBM67190 FC(F)(F)c1cnc(NNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1
BDBM67294 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
BDBM67149 CC(C)CCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc12
BDBM67150 CCn1c(=O)cc(NC2=NCC(C)CN2c2cccc(Cl)c2)n(C)c1=O |t:8|
BDBM67151 COc1cccc(c1)N1CC(C)Cn2c1nc1n(C)c(=O)n(CCN3CCOCC3)c(=O)c21
BDBM67245 Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1Br
BDBM67246 Cc1nn(CCC(=O)NNC(=S)Nc2ccccc2)c(C)c1Br
BDBM67247 Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
BDBM67296 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)NC1CCCCC1
BDBM67297 CC(C)c1nc(C#N)c(NN)o1
BDBM67298 Oc1ccc(cc1\C=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O)[N+]([O-])=O |c:23|
BDBM67394 O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1
BDBM67395 COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM67396 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|
BDBM67397 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31|
BDBM67207 Clc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc3cccnc23)c(Cl)c1
BDBM67208 Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5Cl)nc4O3)c2c1
BDBM67209 FC(F)(F)c1ccc(Cl)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
BDBM67248 Cn1cccc1\C=C(\C#N)C(N)=S
BDBM67249 Cc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
BDBM67250 CCOC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccccc1
BDBM67251 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1ccncc1
BDBM67309 Clc1ccc(NC(=S)NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1
BDBM67310 Clc1cc(Cl)cc(c1)C(=O)NNc1ccc(cc1)-c1csnn1
BDBM67311 CCNC(=S)NNc1nnc(-c2ccccc2)c(n1)-c1ccccc1
BDBM67312 COc1ccc(cc1OC)-c1cc(nc(NN)n1)-c1ccccc1
BDBM67313 Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
BDBM67153 Fc1ccc(CC(=O)OCC(=O)c2cc3ccccc3o2)cc1
BDBM67154 Cn1c(=O)c(C(=S)NC(=O)C2CC2)c(N)n(Cc2ccccc2)c1=O
BDBM67155 COc1cccc2sc(Nc3nc(C)c(s3)C(C)=O)nc12
BDBM67156 CCOc1ccc(CCNC(=O)c2cccnc2N2CCCC2)cc1OCC
BDBM67157 CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 |c:17,t:1|
BDBM67158 CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
BDBM67252 Cc1ccc(cc1)C(=O)CNc1ccccc1C
BDBM67253 Fc1ccc(CSc2nnc(NC(=O)c3cnccn3)s2)cc1
BDBM67160 CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:27,t:13|
BDBM67161 Clc1ccc(cc1Cl)C(=O)COC(=O)Cn1nnc2ccccc12
BDBM67210 Cc1ccccc1NCC(=O)c1ccc(Br)cc1
BDBM67211 Brc1ccc(cc1)C(=O)NN=Cc1ccccn1
BDBM67212 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)Cc1ccccc1
BDBM67254 CCN1C(=O)C(N(C)C1=S)=c1sc(=C2Sc3cc(OC)ccc3N2C)c(=O)n1CC=C
BDBM67255 COc1cc(\C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1O
BDBM67315 NNc1nc(cc(n1)-c1ccc(Br)cc1)-c1ccccc1
BDBM67316 Cc1ccc(cc1)-c1cc(nc(NN)n1)-c1ccccc1
BDBM67163 Cc1cccc2C(=O)C(=O)N(CCCOc3ccccc3)c12
BDBM67164 Clc1ccccc1-c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
BDBM67213 Cc1ccc(cc1)C(=O)NCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM67214 Cc1cc(C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2n1
BDBM67215 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)Cc1ccccc1
BDBM67216 COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1
BDBM67217 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
BDBM67218 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)c1cc2ccccc2oc1=O
BDBM67256 Fc1ccc(NCC(=O)c2ccccc2)cc1
BDBM67257 CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM67258 COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
BDBM67317 OC(=O)c1cccc(NC(=S)NC(=O)c2cncc(Br)c2)c1
BDBM67320 COc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:7,16|
BDBM67322 CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNNC(N)=O)C1=O |w:16.18|
BDBM67259 CN(C)c1ccc(\C=C2/[NH+]=C([N-]C2=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |c:9|
BDBM67261 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1cnccn1
BDBM67262 NC(=S)NNC(=S)Nc1ccccc1
BDBM67326 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
BDBM67329 CC1=[NH+]N(C(=O)\C1=C/c1ccc(o1)-[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccc(C)cc1 |t:1|
BDBM67330 COc1cccc(c1)N1CC(C)Cn2c1nc1n(C)c(=O)[nH]c(=O)c21
BDBM67331 CCCN(CCC)c1nc(nc2ccccc12)-c1ccccn1
BDBM67166 COc1ccc2O[C@@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
BDBM67167 COc1ccc2O[C@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
BDBM67221 [H]C12CCC([H])(C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:9:8:6:3.2,THB:29:7:6:3.2|
BDBM67222 [H]C12CCC([H])(C1)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:28:7:6:2.3,THB:9:8:6:2.3|
BDBM67223 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
BDBM67224 CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1cccnc1
BDBM67263 Nc1c(N2CCCC2)c2ccccc2oc1=O
BDBM67264 COC(=O)CSc1[nH]c2ccc(Br)cc2c1[N+]([O-])=O
BDBM67265 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
BDBM67333 CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
BDBM67334 COc1cccc(c1)\[NH+]=C1/[N-]C(=O)\C(S1)=C\c1cc(ccc1O)[N+]([O-])=O
BDBM67335 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)[N+]([O-])=O |w:10.10|
BDBM67266 CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
BDBM67267 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
BDBM67268 CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
BDBM67336 CCOc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:8,17|
BDBM67269 CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c(c2)[N+]([O-])=O)cc1
BDBM67272 Clc1ccc(cc1)C(=O)C[N+]1(CC#Cc2ccccc2)CCOCC1
BDBM67273 CCN1CCN(CC1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
BDBM67274 CC1(C)CC2(CC(c3ccccc3F)c3cc(Cl)c(O)cc3O2)NC(=S)N1
BDBM67275 Cc1ccc(cc1C)N=Nc1ccc(O)c2ncccc12 |w:8.8|
BDBM67276 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:6:5:10.9:2,30:9:2:7.5,THB:8:7:10.9:2,11:10:2:7.5|
BDBM67277 [O-][N+](=O)c1cccc([CH+][N-]NS(=O)(=O)c2ccccc2)c1
BDBM67338 CC(=O)Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
BDBM67339 CCN1C(=S)S\C(=C\c2cccc(OC)c2Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O
BDBM67340 CCOc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
BDBM67169 COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
BDBM67174 Cc1c(Cl)cccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
BDBM67175 OCC1(CO)COC(=O)C(NNc2cc(Cl)ccc2Cl)=N1 |c:20|
BDBM67176 Clc1ccc(C(=O)COC(=O)c2cccnc2Cl)c(Cl)c1
BDBM67177 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)nc(OC)n1
BDBM67178 Brc1ccc2=NC(=O)C(Nc3ccc(cc3)-c3nnc4CCCCCn34)=c2c1 |c:28,t:4|
BDBM67179 Cc1ccccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
BDBM67180 COc1ccc(NS(=O)(=O)c2cc(ccc2N=[NH+]Cc2c(C)[n-]c3ccccc23)[N+]([O-])=O)cc1 |w:16.16|
BDBM67181 CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM67225 Cc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
BDBM67226 Brc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
BDBM67227 Cc1ccc(NC(=S)NNC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)cc1Cl
BDBM67279 CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
BDBM67348 Cc1[n-]n(C(N)=S)c(=O)c1N=[NH+]c1ccc(cc1Cl)[N+]([O-])=O |w:11.12|
BDBM67351 Cc1ncc(C=O)c(CNNc2ccc(cn2)C(F)(F)F)c1O
BDBM67352 Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccccn2)c(F)c1
BDBM67353 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5|
BDBM67354 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM67355 Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM67356 OC(=O)c1ccccc1N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:10.10|
BDBM67357 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:8:7:9.10:2,11:10:2:5.7,THB:6:5:9.10:2,31:9:2:5.7|
BDBM67358 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|
BDBM67359 COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
BDBM67360 CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
BDBM67361 COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
BDBM67362 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
BDBM67363 COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM67364 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
BDBM67365 O=C(COC(=O)c1ccco1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67366 Cc1ccc(OCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1C
BDBM67367 Cn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1
BDBM67368 Cc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(Cl)c1
BDBM67369 Cn1nnc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1
BDBM67370 COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NNc1nc(C)cc(C)n1
BDBM67371 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1
BDBM67372 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
BDBM67373 CC(=NNC(=O)c1cccc2ccccc12)c1ccccn1 |w:2.2|
BDBM67374 Clc1ccccc1C(=O)NN=C(c1ccccc1)c1ccccn1
BDBM67375 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12)c1nc2cc(C)cc(C)c2s1
BDBM67376 COc1ccc(cc1Br)S(=O)(=O)NNc1nc(C)cc(C)n1
BDBM67377 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67378 CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1
BDBM67379 Cc1cc(C)nc(NNS(=O)(=O)c2ccc(F)c(Cl)c2)n1
BDBM67380 CC(=O)Nc1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67381 O=C(COc1ccccc1)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67382 CC(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccn1 |w:2.2|
BDBM67383 Brc1ccc(o1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67384 COc1ccc(CC(=O)OCC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
BDBM67385 CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O
BDBM67386 COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1cccc(F)c1)=NCC(C)C |w:25.28,c:4|
BDBM67171 Oc1ccc2c(oc(=O)c3ccccc23)c1CN(CC=C)CC=C
BDBM67172 CC1(C)Cc2c(CS1)c(nc1sc3c(NN)ncnc3c21)N1CCOCC1
BDBM67173 CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2CCCc12
BDBM67228 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl
BDBM67230 CCC[N+](CCC)(CC#Cc1ccccc1)CC(=O)c1ccc(Cl)cc1
BDBM67231 CCCSc1cc(NCCOC(=O)CCC)c([N+]([O-])=O)c2nonc12
BDBM67232 CC(C)N1CCc2c(C1)sc(NC(=O)c1cc(nc3ccccc13)-c1cccs1)c2C(N)=O
BDBM67233 CCC1CCCCN1CC(=O)c1ccc(OC(F)F)cc1
BDBM67234 COC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
BDBM67235 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2c(C)onc2-c2ccccc2)cc1
BDBM67236 Cc1cccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c1
BDBM67237 COc1ccc(cc1)\N=C1\C(=O)N2c3c1cccc3C(C)=CC2(C)C |c:23|
BDBM67241 Cc1cccc(NC(=S)NN=C2CCCCc3ccccc23)c1 |w:10.9|
BDBM67242 COc1cc(cc(OC)c1OC)C(=O)NN=C(c1ccccc1)c1ccccn1
BDBM67243 CCN(CC)c1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1-n1cncn1)S(=O)(=O)N1CCOCC1
BDBM67281 FC(F)(F)c1cnc(NNC(=S)Nc2cccnc2)c(Cl)c1
BDBM67388 Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1
BDBM67389 Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(=O)n(C)c1=O
BDBM67390 OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
BDBM67191 ClCC(=O)NNc1cccc(Cl)n1
BDBM67192 CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15|
BDBM67193 CCCCNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
BDBM67196 FC(F)(F)c1cccc(Sc2nc(nnc2C(F)(F)F)-c2ccccc2)c1
BDBM67197 CCCCN(CCCC)C(=S)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:12.11|
BDBM67198 Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1
BDBM67199 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)Cc1ccccc1
BDBM67200 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
BDBM67201 COc1ccc(NC2(C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1
BDBM67202 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cn1
BDBM67203 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
BDBM67282 [O-][N+](=O)c1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccccn1
BDBM67283 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCc1ccccc1
BDBM67284 Fc1ccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c(F)c1
BDBM67285 [H]C12CCC(C)(C(C1)=NNC(=S)Nc1cccc(OC)c1)C2(C)C |w:8.9,TLB:8:6:21:3.2|
BDBM67287 CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O
BDBM67288 CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 |w:2.2|
BDBM67289 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM67290 [O-][N+](=O)c1cccc(c1)C(=O)C[n+]1ccc(cc1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
BDBM67291 Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccc2nccnc2c1
BDBM67292 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)c1cnccn1
BDBM67293 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)c1cnccn1
BDBM66944 CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
BDBM66945 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66946 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
BDBM66950 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66953 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
BDBM66793 Cc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM66727 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
BDBM66694 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
BDBM70948 COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
BDBM70650 CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3cccs3)c2C1
BDBM70670 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)[N+]([O-])=O)C#N |w:11.13|
BDBM72680 CN1C(=O)C(C2CC(N=N2)c2ccc(Cl)cc2)C(=O)N(C)C1=O |c:8|
BDBM76097 CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
BDBM76098 CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1
BDBM76099 COc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc2C1)c1nnnn1CC1CCCO1
BDBM76100 CCOc1ccc2[nH]c(=O)c(CN(CCO)C(C(C)C)c3nnnn3C3CCCCC3)cc2c1
BDBM76101 CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
BDBM76102 CCC(N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC
BDBM76103 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12 |t:9,18|
BDBM76104 CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC
BDBM76105 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12 |t:9,18|
BDBM76106 COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:9|
BDBM76107 CCCSc1nc(O)c(CC)c(=O)n1C(C)CC
BDBM76108 COc1ccccc1-n1c(SC)nc(O)cc1=O |(3.08,-2.31,;4.41,-1.54,;5.75,-2.31,;5.75,-3.85,;7.08,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;8.41,.77,;9.75,,;11.08,.77,;8.41,2.31,;7.08,3.08,;7.08,4.62,;5.75,2.31,;5.75,.77,;4.41,,)|
BDBM76109 CCCc1cc(no1)C(=O)Nc1sc2CCCCc2c1C(=O)OCC
BDBM76110 CCSc1nc(O)c(CC)c(=O)n1C(C)CC
BDBM76111 CCC(C)n1c(SCC=C)nc(O)c(CC)c1=O
BDBM76112 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3cc(OC)c(OC)c(OC)c3)c(=O)oc2=CC1=O |c:13,34,t:6|
BDBM76113 COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C(C)C)c3nnnn3Cc3ccccc3)cc2c1
BDBM76114 CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC
BDBM76115 CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC
BDBM76116 CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC
BDBM76117 NC(=NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 |w:2.2|
BDBM76118 [O-][N+](=O)c1ccc(COc2ccc3c4CCCCc4c(=O)oc3c2)cc1
BDBM76119 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1ccncc1)oc1ccccc21
BDBM76120 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1cccnc1)oc1ccccc21
BDBM76121 COc1cc2c(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)oc1ccccc21
BDBM76122 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1
BDBM76123 Cc1cc(C)c2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc2c1
BDBM76124 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)cc1
BDBM76125 CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:24,t:4,6|
BDBM76126 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccccc1 |c:20,t:4,6|
BDBM76127 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 |c:27,t:7,9|
BDBM76128 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
BDBM76129 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1C1CCCCC1 |c:20,t:4,6|
BDBM76130 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccsc1 |c:15,18,t:13|
BDBM76131 Clc1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
BDBM76132 COc1ccc(CN=Nc2cc(C)nc3ccc(C)cc23)c(OC)c1 |w:8.8|
BDBM76133 COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|
BDBM76134 CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccccn3)c(=O)c2cc1OCC
BDBM76135 CCN(CC)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1
BDBM76136 CSc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
BDBM76137 COc1cc(NC(=S)NC(=O)CCc2ccccc2)cc(OC)c1
BDBM76138 O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(CN2CCCCC2)cc1
BDBM76139 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(ccc2c1)N1CCN(CC1)c1ccccc1
BDBM76140 COc1cccc2sc3ccc(NCCC4CCCN4C)cc3c(=O)c12
BDBM76141 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM76142 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1
BDBM76143 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM76144 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cccc2s1
BDBM76145 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Cl)cc2s1
BDBM76146 CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Br)cc2s1
BDBM76147 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(C)cccc2s1
BDBM76148 C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c3ccccc3[nH]c2c1=O
BDBM76149 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
BDBM76150 CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM76151 CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM76152 COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
BDBM79987 Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
BDBM80031 O=C(CSc1cccc2cccnc12)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM80072 CC(N=Nc1ccc2ccccc2n1)c1ccccc1O |w:2.1|
BDBM80039 CN(C)CCSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1
BDBM80006 O=C(NNC(=O)c1ccccc1)c1cc(nn1-c1ccccc1)-c1ccccc1
BDBM80050 CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
BDBM80094 C\C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CCC34C)C2CC1(C)C |c:21|
BDBM83206 Cc1cccc2C(=O)C(=O)N(CCCOc3ccc(cc3)C(C)(C)C)c12
BDBM83208 CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C/c1ccccn1
BDBM83205 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
BDBM50172366 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM269943 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(cc1C#N)C#N |r,wU:2.1,wD:3.3,(-3.28,-10.32,;-2.38,-9.07,;-.85,-9.24,;.06,-7.99,;1.59,-8.15,;-.57,-6.58,;-1.97,-7.21,;.84,-5.96,;-1.19,-5.18,;-.29,-3.93,;1.25,-3.93,;1.73,-2.47,;.48,-1.56,;.48,-.02,;-.85,.75,;-.85,2.29,;.48,3.06,;1.82,2.29,;3.15,3.06,;3.15,4.6,;1.82,.75,;-.76,-2.47,;-2.23,-1.99,;-2.55,-.48,;-1.4,.55,;-1.72,2.05,;-4.01,-.01,;-5.16,-1.04,;-4.84,-2.54,;-3.37,-3.02,;-3.05,-4.53,;-4.2,-5.56,;-.22,-10.64,;1.31,-10.8,;1.94,-12.21,;1.03,-13.46,;-.5,-13.29,;-1.12,-11.89,;-2.66,-11.73,;-4.19,-11.57,;1.66,-14.86,;2.29,-16.27,)|
BDBM269980 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)nc1OC |r,wU:2.1,wD:3.3,(5.52,-9.21,;4.18,-8.44,;4.18,-6.9,;2.85,-6.13,;2.85,-4.59,;1.51,-6.9,;.74,-8.24,;2.28,-8.24,;.18,-6.13,;-1.15,-6.9,;-1.63,-8.37,;-3.17,-8.37,;-3.64,-6.9,;-5.13,-6.51,;-5.53,-5.02,;-7.02,-4.62,;-8.11,-5.71,;-7.71,-7.2,;-8.8,-8.29,;-8.4,-9.77,;-6.22,-7.6,;-2.4,-6,;-2.4,-4.46,;-3.73,-3.69,;-5.07,-4.46,;-6.4,-3.69,;-3.73,-2.15,;-2.4,-1.38,;-1.07,-2.15,;-1.07,-3.69,;.27,-4.46,;1.6,-3.69,;5.52,-6.13,;5.52,-4.59,;6.85,-3.82,;8.18,-4.59,;9.52,-3.82,;8.18,-6.13,;6.85,-6.9,;6.85,-8.44,;8.18,-9.21,)|
BDBM270157 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cc(C)cnn2)n1-c1c(OC)cccc1OC)C1CC(C)(C)C1 |r,wU:3.3,2.1,(-4.52,.88,;-5.86,1.65,;-5.86,3.19,;-7.19,3.96,;-7.19,5.5,;-8.52,3.19,;-9.29,1.86,;-7.75,1.86,;-9.86,3.96,;-11.19,3.19,;-11.67,1.73,;-13.21,1.73,;-13.68,3.19,;-15.17,3.59,;-15.57,5.08,;-17.06,5.48,;-17.46,6.97,;-18.15,4.39,;-17.75,2.9,;-16.26,2.5,;-12.44,4.1,;-12.44,5.64,;-11.1,6.41,;-9.77,5.64,;-8.44,6.41,;-11.1,7.95,;-12.44,8.72,;-13.77,7.95,;-13.77,6.41,;-15.1,5.64,;-16.44,6.41,;-4.52,3.96,;-3.04,3.57,;-2.64,5.05,;-1.1,5.05,;-1.87,6.39,;-4.12,5.45,)|
BDBM270066 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)o1 |r,wU:3.3,2.1,(4.99,-4.99,;3.65,-4.22,;3.65,-2.68,;2.32,-1.91,;2.32,-.37,;.99,-2.68,;-.35,-3.45,;1.76,-4.01,;.22,-1.34,;-1.32,-1.34,;-2.23,-2.59,;-3.69,-2.11,;-3.69,-.57,;-4.78,.27,;-4.38,1.75,;-5.47,2.84,;-6.96,2.44,;-7.36,.96,;-8.85,.56,;-6.27,-.13,;-2.23,-.1,;-1.58,2.01,;-2.67,3.1,;-4.16,2.7,;-5.25,3.79,;-2.27,4.59,;-.78,4.99,;.31,3.9,;-.09,2.41,;1,1.32,;2.48,1.72,;4.99,-1.91,;4.99,-.37,;6.45,.11,;7.36,-1.14,;8.85,-1.54,;6.45,-2.38,)|
BDBM270010 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(5.04,-21.28,;5.81,-19.95,;5.04,-18.62,;3.5,-18.62,;2.73,-17.28,;2.73,-19.95,;1.96,-21.28,;4.07,-20.72,;1.4,-19.18,;.07,-19.95,;.07,-21.49,;-1.4,-21.97,;-2.3,-20.72,;-3.84,-20.72,;-4.61,-19.39,;-6.15,-19.39,;-6.92,-20.72,;-6.15,-22.05,;-6.92,-23.39,;-4.61,-22.05,;-1.4,-19.48,;-1.91,-17.63,;-3.39,-17.23,;-4.48,-18.32,;-5.97,-17.92,;-3.79,-15.74,;-2.7,-14.65,;-1.22,-15.05,;-.82,-16.54,;.67,-16.94,;1.76,-15.85,;5.81,-17.28,;7.35,-17.28,;8.12,-15.95,;7.35,-14.62,;8.12,-13.28,;5.81,-14.62,;5.04,-15.95,)|
BDBM269993 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wU:2.1,3.3,(3.82,1.06,;2.48,1.83,;2.48,3.37,;1.15,4.14,;1.15,5.68,;-.18,3.37,;.59,2.04,;-.95,2.04,;-1.52,4.14,;-2.85,3.37,;-3.33,1.91,;-4.87,1.91,;-5.34,3.37,;-6.83,3.77,;-7.23,5.26,;-8.72,5.66,;-9.8,4.57,;-9.41,3.08,;-7.92,2.68,;-4.1,4.28,;-4.1,5.82,;-5.43,6.59,;-6.76,5.82,;-8.1,6.59,;-5.43,8.13,;-4.1,8.9,;-2.76,8.13,;-2.76,6.59,;-1.43,5.82,;-.1,6.59,;3.82,4.14,;3.82,5.68,;5.15,6.45,;6.49,5.68,;7.82,6.45,;6.49,4.14,;5.15,3.37,)|
BDBM270064 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1nc(C)cs1 |r,wU:3.3,2.1,(5.73,-4.99,;4.4,-4.22,;4.4,-2.68,;3.06,-1.91,;3.06,-.37,;1.73,-2.68,;.4,-3.45,;2.5,-4.01,;.96,-1.34,;-.58,-1.34,;-1.48,-2.59,;-2.95,-2.11,;-2.95,-.57,;-4.04,.27,;-3.64,1.75,;-4.73,2.84,;-6.22,2.44,;-6.61,.96,;-8.1,.56,;-5.53,-.13,;-1.48,-.1,;-.84,2.01,;-1.93,3.1,;-3.41,2.7,;-4.5,3.79,;-1.53,4.59,;-.04,4.99,;1.05,3.9,;.65,2.41,;1.74,1.32,;3.23,1.72,;5.73,-1.91,;5.73,-.37,;7.2,.11,;7.97,1.44,;8.1,-1.14,;7.2,-2.38,)|
BDBM269941 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(cc1C#N)C#N |r,wD:3.3,2.1,(-3.28,-10.32,;-2.38,-9.07,;-.85,-9.24,;.06,-7.99,;1.59,-8.15,;-.57,-6.58,;-1.97,-7.21,;.84,-5.96,;-1.19,-5.18,;-.29,-3.93,;1.25,-3.93,;1.73,-2.47,;.48,-1.56,;.48,-.02,;-.85,.75,;-.85,2.29,;.48,3.06,;1.82,2.29,;3.15,3.06,;3.15,4.6,;1.82,.75,;-.76,-2.47,;-2.23,-1.99,;-2.55,-.48,;-1.4,.55,;-1.72,2.05,;-4.01,-.01,;-5.16,-1.04,;-4.84,-2.54,;-3.37,-3.02,;-3.05,-4.53,;-4.2,-5.56,;-.22,-10.64,;1.31,-10.8,;1.94,-12.21,;1.03,-13.46,;-.5,-13.29,;-1.12,-11.89,;-2.66,-11.73,;-4.19,-11.57,;1.66,-14.86,;2.29,-16.27,)|
BDBM270022 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(5.33,-8.74,;6.1,-7.4,;5.33,-6.07,;3.79,-6.07,;3.02,-4.74,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;1.69,-6.63,;.35,-7.4,;.35,-8.94,;-1.11,-9.42,;-2.02,-8.17,;-3.5,-7.77,;-3.9,-6.29,;-5.39,-5.89,;-6.48,-6.98,;-6.08,-8.46,;-7.17,-9.55,;-8.66,-9.16,;-4.59,-8.86,;-1.11,-6.93,;-1.94,-4.48,;-3.43,-4.08,;-4.52,-5.17,;-6.01,-4.77,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,;6.1,-4.74,;7.64,-4.74,;8.41,-3.4,;7.64,-2.07,;8.41,-.73,;6.1,-2.07,;5.33,-3.4,)|
BDBM269976 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)nc1OC |r,wD:3.3,2.1,(5.64,-9.21,;4.31,-8.44,;4.31,-6.9,;2.98,-6.13,;2.98,-4.59,;1.64,-6.9,;.87,-8.24,;2.41,-8.24,;.31,-6.13,;-1.03,-6.9,;-1.5,-8.37,;-3.04,-8.37,;-3.52,-6.9,;-5,-6.51,;-5.4,-5.02,;-6.89,-4.62,;-7.98,-5.71,;-7.58,-7.2,;-8.67,-8.29,;-8.27,-9.77,;-6.09,-7.6,;-2.27,-6,;-2.27,-4.46,;-3.61,-3.69,;-4.94,-4.46,;-6.27,-3.69,;-3.61,-2.15,;-2.27,-1.38,;-.94,-2.15,;-.94,-3.69,;.4,-4.46,;1.73,-3.69,;5.64,-6.13,;5.64,-4.59,;6.98,-3.82,;8.31,-4.59,;9.64,-3.82,;8.31,-6.13,;6.98,-6.9,;6.98,-8.44,;8.31,-9.21,)|
BDBM270131 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)s1 |r,wD:3.3,2.1,(4.69,-4.74,;3.6,-3.65,;4,-2.16,;2.91,-1.08,;3.31,.41,;1.42,-1.47,;.33,-2.56,;1.82,-2.96,;.33,-.39,;-1.16,-.78,;-1.63,-2.25,;-3.17,-2.25,;-3.65,-.78,;-5.19,-.78,;-5.96,-2.12,;-7.5,-2.12,;-8.27,-.78,;-7.5,.55,;-5.96,.55,;-2.4,.12,;-2.4,1.66,;-1.07,2.43,;.26,1.66,;1.6,2.43,;-1.07,3.97,;-2.4,4.74,;-3.74,3.97,;-3.74,2.43,;-5.07,1.66,;-6.4,2.43,;5.48,-1.77,;6.73,-2.67,;7.97,-1.77,;7.5,-.3,;8.27,1.03,;5.96,-.3,)|
BDBM269777 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1nc(C)c(C)s1 |r,wU:3.3,wD:2.1,(14.21,-10.89,;13.13,-9.8,;13.52,-8.31,;12.44,-7.22,;12.83,-5.74,;10.95,-7.62,;11.69,-8.91,;10.2,-8.91,;9.64,-6.93,;8.15,-7.33,;7.67,-8.8,;6.13,-8.8,;5.66,-7.33,;4.12,-7.33,;3.35,-8.67,;1.81,-8.67,;1.04,-7.33,;1.81,-6,;1.01,-4.62,;3.35,-6,;6.9,-6.43,;6.9,-4.89,;5.57,-4.12,;4.24,-4.89,;2.9,-4.12,;5.57,-2.58,;6.9,-1.81,;8.24,-2.58,;8.24,-4.12,;9.57,-4.89,;10.91,-4.12,;15.01,-7.91,;16.26,-8.82,;17.5,-7.91,;18.84,-8.68,;17.03,-6.45,;17.8,-5.12,;15.49,-6.45,)|
BDBM270002 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,wD:2.1,(2.27,-10.76,;3.6,-9.99,;3.6,-8.45,;2.51,-7.36,;2.91,-5.88,;1.03,-7.76,;-.06,-8.85,;1.42,-9.25,;-.06,-6.67,;-1.55,-7.07,;-2.03,-8.54,;-3.57,-8.54,;-4.04,-7.07,;-5.53,-6.67,;-6.62,-7.76,;-8.11,-7.36,;-8.5,-5.88,;-7.42,-4.79,;-7.81,-3.3,;-5.93,-5.19,;-2.8,-6.17,;-2.8,-4.27,;-4.13,-3.5,;-5.46,-4.27,;-6.8,-3.5,;-4.13,-1.96,;-2.8,-1.19,;-1.46,-1.96,;-1.46,-3.5,;-.13,-4.27,;1.2,-3.5,;5.09,-8.05,;6.18,-9.14,;7.67,-8.74,;8.07,-7.26,;9.55,-6.86,;6.98,-6.17,;5.49,-6.57,)|
BDBM270245 CO[C@H]1C[C@H](CN(C1)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)ncnc1OC |r,wD:4.16,2.1,(3.32,4.08,;4.41,2.99,;4.01,1.5,;2.52,1.1,;2.12,-.39,;3.21,-1.47,;4.7,-1.08,;5.1,.41,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;.63,-.78,;-.14,-2.12,;1.4,-2.12,;-.45,.31,;-1.94,-.09,;-2.42,-1.56,;-3.96,-1.56,;-4.43,-.09,;-5.97,-.09,;-6.74,1.24,;-8.28,1.24,;-9.05,-.09,;-8.28,-1.43,;-6.74,-1.43,;-3.19,.81,;-3.19,2.35,;-4.52,3.12,;-5.86,2.35,;-7.19,3.12,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,;.81,3.12,)|
BDBM269925 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2S(C)(=O)=O)nnc1-c1cncc(C)c1 |r,wD:17.18,(-6.35,-5.82,;-5.02,-6.59,;-3.68,-5.82,;-3.68,-4.28,;-2.35,-3.51,;-1.02,-4.28,;-1.02,-5.82,;.32,-6.59,;1.65,-5.82,;-2.35,-6.59,;-2.35,-8.13,;-1.1,-9.03,;.23,-8.26,;1.56,-9.03,;2.33,-10.36,;.79,-10.36,;2.9,-8.26,;4.23,-9.03,;4.23,-10.57,;5.56,-8.26,;6.9,-9.03,;8.23,-8.26,;8.23,-6.72,;9.56,-5.95,;6.9,-5.95,;5.56,-6.72,;4.23,-5.95,;2.9,-6.72,;5,-4.62,;3.46,-4.62,;-1.58,-10.5,;-3.12,-10.5,;-3.6,-9.03,;-5.08,-8.63,;-5.48,-7.14,;-6.97,-6.75,;-8.06,-7.84,;-7.66,-9.32,;-8.75,-10.41,;-6.17,-9.72,)|
BDBM269843 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(F)cc2F)nnc1-c1cncc(C)c1 |r,wU:17.18,(1.32,-8.51,;-.01,-9.28,;-1.35,-8.51,;-1.39,-6.95,;-2.73,-6.18,;-4.06,-6.95,;-4.06,-8.49,;-5.39,-9.26,;-6.73,-8.49,;-2.73,-9.26,;-2.73,-11.16,;-1.48,-12.06,;-.15,-11.29,;1.19,-12.06,;.42,-13.4,;1.96,-13.4,;2.52,-11.29,;3.85,-12.06,;3.85,-13.6,;5.19,-11.29,;5.19,-9.75,;6.52,-8.98,;7.85,-9.75,;9.19,-8.98,;7.85,-11.29,;6.52,-12.06,;6.52,-13.6,;-1.96,-13.53,;-3.5,-13.53,;-3.97,-12.06,;-5.31,-11.29,;-6.08,-12.63,;-7.62,-12.63,;-8.39,-11.29,;-7.62,-9.96,;-8.39,-8.63,;-6.08,-9.96,)|
BDBM269826 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:17.18,(-5.56,-3.31,;-4.23,-4.08,;-2.89,-3.31,;-2.89,-1.77,;-1.56,-1,;-.22,-1.77,;-.22,-3.31,;1.11,-4.08,;2.44,-3.31,;-1.56,-4.08,;-1.56,-5.62,;-.31,-6.53,;1.18,-6.13,;2.26,-7.22,;1.18,-8.31,;3.35,-8.31,;3.35,-6.13,;4.84,-6.53,;5.24,-8.02,;5.93,-5.44,;5.53,-3.95,;6.62,-2.86,;8.11,-3.26,;9.2,-2.17,;8.51,-4.75,;7.42,-5.84,;-.79,-7.99,;-2.33,-7.99,;-2.8,-6.53,;-4.29,-6.13,;-4.69,-4.64,;-6.18,-4.24,;-7.27,-5.33,;-6.87,-6.82,;-7.96,-7.91,;-5.38,-7.22,)|
BDBM269694 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,(-7.03,5.9,;-5.69,5.13,;-4.36,5.9,;-4.36,7.44,;-3.02,8.21,;-1.69,7.44,;-1.69,5.9,;-.36,5.13,;.98,5.9,;-3.02,5.13,;-3.02,3.59,;-1.78,2.68,;-.45,3.45,;.89,2.68,;.12,1.35,;1.66,1.35,;2.22,3.45,;2.22,4.99,;3.56,2.68,;4.89,3.45,;6.22,2.68,;7.56,3.45,;7.56,4.99,;8.89,5.76,;6.22,5.76,;4.89,4.99,;-2.25,1.22,;-3.79,1.22,;-4.27,2.68,;-5.81,2.68,;-6.58,1.35,;-8.12,1.35,;-8.89,2.68,;-8.12,4.02,;-8.89,5.35,;-6.58,4.02,)|
BDBM269886 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(C=C)c1 |r,wU:16.17,(2,-3.8,;.66,-4.57,;-.67,-3.8,;-.67,-2.26,;-2,-1.49,;-3.34,-2.26,;-3.34,-3.8,;-4.67,-4.57,;-6.01,-3.8,;-2,-4.57,;-2,-6.11,;-.76,-7.02,;.57,-6.25,;1.91,-7.02,;2.68,-8.35,;1.14,-8.35,;3.24,-6.25,;3.24,-4.71,;4.58,-7.02,;5.91,-6.25,;5.91,-4.71,;7.24,-3.94,;8.58,-4.71,;9.91,-3.94,;8.58,-6.25,;7.24,-7.02,;-1.23,-8.48,;-2.77,-8.48,;-3.25,-7.02,;-4.79,-7.02,;-5.56,-8.35,;-7.1,-8.35,;-7.87,-7.02,;-7.1,-5.68,;-7.87,-4.35,;-9.41,-4.35,;-5.56,-5.68,)|
BDBM269710 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(F)c1 |r,wU:16.17,(-7.03,5.9,;-5.69,5.13,;-4.36,5.9,;-4.36,7.44,;-3.02,8.21,;-1.69,7.44,;-1.69,5.9,;-.36,5.13,;.98,5.9,;-3.02,5.13,;-3.02,3.59,;-1.78,2.68,;-.45,3.45,;.89,2.68,;.12,1.35,;1.66,1.35,;2.22,3.45,;2.22,4.99,;3.56,2.68,;4.89,3.45,;6.22,2.68,;7.56,3.45,;7.56,4.99,;8.89,5.76,;6.22,5.76,;4.89,4.99,;-2.25,1.22,;-3.79,1.22,;-4.27,2.68,;-5.81,2.68,;-6.58,1.35,;-8.12,1.35,;-8.89,2.68,;-8.12,4.02,;-8.89,5.35,;-6.58,4.02,)|
BDBM269702 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cnccc1C |r,wU:16.17,(-7.03,6.86,;-5.69,6.09,;-4.36,6.86,;-4.36,8.4,;-3.02,9.17,;-1.69,8.4,;-1.69,6.86,;-.36,6.09,;.98,6.86,;-3.02,6.09,;-3.02,4.55,;-1.78,3.65,;-.45,4.42,;.76,3.65,;.12,2.32,;1.66,2.32,;2.22,4.42,;2.22,5.96,;3.56,3.65,;4.89,4.42,;6.22,3.65,;7.56,4.42,;7.56,5.96,;8.89,6.73,;6.22,6.73,;4.89,5.96,;-2.25,2.19,;-3.79,2.19,;-4.27,3.65,;-5.81,3.65,;-6.58,4.98,;-8.12,4.98,;-8.89,3.65,;-8.12,2.32,;-6.58,2.32,;-5.81,.98,)|
BDBM270084 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)n2cc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(-6.8,1.89,;-5.47,1.12,;-4.13,1.89,;-4.13,3.43,;-2.8,4.2,;-1.47,3.43,;-1.47,1.89,;-.13,1.12,;1.2,1.89,;-2.8,1.12,;-2.8,-.42,;-1.55,-1.33,;-.01,-1.33,;.76,-2.66,;1.15,-4.15,;-.58,-3.43,;2.09,-1.89,;2.09,-.35,;3.42,-2.66,;3.42,-4.2,;4.76,-1.89,;6.22,-2.37,;7.13,-1.12,;8.67,-1.12,;6.22,.13,;4.76,-.35,;-2.03,-2.79,;-3.57,-2.79,;-4.05,-1.33,;-5.59,-1.33,;-6.36,-2.66,;-7.9,-2.66,;-8.67,-1.33,;-7.9,.01,;-8.67,1.34,;-6.36,.01,)|
BDBM269774 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2nc(C)c(C)s2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(3,-3.99,;4.33,-4.76,;5.67,-3.99,;5.67,-2.45,;7,-1.68,;8.33,-2.45,;8.33,-3.99,;9.67,-4.76,;11,-3.99,;7,-4.76,;7,-6.3,;8.25,-7.21,;9.58,-6.44,;10.67,-7.52,;9.9,-8.86,;11.44,-8.86,;12.16,-7.13,;12.56,-5.64,;13.25,-8.22,;12.85,-9.7,;14.73,-7.82,;15.98,-8.72,;17.23,-7.82,;18.56,-8.59,;16.75,-6.35,;17.52,-5.02,;15.21,-6.35,;7.77,-8.67,;6.23,-8.67,;5.76,-7.21,;4.22,-7.21,;3.45,-8.54,;1.91,-8.54,;1.14,-7.21,;1.91,-5.87,;1.14,-4.54,;3.45,-5.87,)|
BDBM269835 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(1.83,-6.71,;.49,-7.48,;-.84,-6.71,;-.89,-5.14,;-2.22,-4.37,;-3.56,-5.14,;-3.56,-6.68,;-4.89,-7.45,;-6.22,-6.68,;-2.22,-7.45,;-2.22,-8.99,;-.98,-9.9,;.36,-9.13,;1.69,-9.9,;.92,-11.23,;2.46,-11.23,;3.03,-9.13,;3.03,-7.59,;4.36,-9.9,;4.36,-11.44,;5.69,-9.13,;7.03,-9.9,;8.36,-9.13,;8.36,-7.59,;9.69,-6.82,;7.03,-6.82,;5.69,-7.59,;-1.45,-11.36,;-2.99,-11.36,;-3.47,-9.9,;-4.95,-9.5,;-5.72,-10.83,;-7.26,-10.83,;-8.03,-9.5,;-7.26,-8.16,;-8.03,-6.83,;-5.72,-8.16,)|
BDBM270059 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wU:16.17,wD:18.19,(-7.1,2.38,;-5.77,1.61,;-4.44,2.38,;-4.44,3.92,;-3.1,4.69,;-1.77,3.92,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-3.1,1.61,;-3.1,.07,;-1.86,-.84,;-.52,-.07,;.81,-.84,;1.58,-2.17,;.04,-2.17,;2.14,-.07,;2.14,1.47,;3.48,-.84,;3.48,-2.38,;4.81,-3.15,;6.14,-2.38,;4.81,-4.69,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-6.24,1.05,)|
BDBM269731 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(cc2)C#N)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-7.69,5.92,;-6.36,5.15,;-5.03,5.92,;-5.03,7.46,;-3.69,8.23,;-2.36,7.46,;-2.36,5.92,;-1.02,5.15,;.31,5.92,;-3.69,5.15,;-3.69,3.61,;-2.45,2.71,;-1.11,3.48,;.22,2.71,;-.55,1.37,;.99,1.37,;1.56,3.48,;1.56,5.02,;2.89,2.71,;2.89,1.17,;4.22,3.48,;5.56,2.71,;6.89,3.48,;6.94,5.04,;5.56,5.79,;4.22,5.02,;8.27,5.82,;9.6,6.59,;-2.92,1.24,;-4.46,1.24,;-4.94,2.71,;-6.48,2.71,;-7.25,1.37,;-8.79,1.37,;-9.56,2.71,;-8.79,4.04,;-9.56,5.37,;-7.25,4.04,)|
BDBM269592 CCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:4.4,3.2,(4.86,-4.69,;4.86,-3.15,;3.53,-2.38,;3.53,-.84,;2.2,-.07,;2.2,1.47,;.86,-.84,;.09,-2.17,;1.63,-2.17,;-.47,-.07,;-1.81,-.84,;-2.28,-2.3,;-3.82,-2.3,;-4.3,-.84,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-8.09,-1.77,;-8.86,-3.11,;-10.4,-3.11,;-6.55,-1.77,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,)|
BDBM269648 CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269651 CNC(=O)c1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,20.21,(-8.12,-5.43,;-7.35,-4.1,;-8.12,-2.76,;-9.66,-2.76,;-7.35,-1.43,;-8.12,-.1,;-7.35,1.24,;-5.81,1.24,;-5.04,-.1,;-5.81,-1.43,;-3.5,-.1,;-3.02,-1.56,;-1.48,-1.56,;-1.01,-.1,;.32,.67,;1.66,-.1,;.89,-1.43,;2.43,-1.43,;2.99,.67,;2.99,2.21,;4.33,-.1,;4.33,-1.64,;5.66,.67,;6.99,-.1,;8.33,.67,;8.33,2.21,;9.66,2.98,;6.99,2.98,;5.66,2.21,;-2.25,.81,;-2.25,2.35,;-.92,3.12,;.41,2.35,;1.75,3.12,;-.92,4.66,;-2.25,5.43,;-3.59,4.66,;-3.59,3.12,;-4.92,2.35,;-6.26,3.12,)|
BDBM269607 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wU:16.17,18.19,(1.27,2.13,;.18,1.04,;-1.31,1.44,;-1.71,2.92,;-3.19,3.32,;-4.28,2.23,;-3.88,.75,;-4.97,-.34,;-6.46,.06,;-2.4,.35,;-2,-1.14,;-.53,-1.62,;.8,-.85,;2.13,-1.62,;1.36,-2.95,;3.47,-2.39,;2.9,-.28,;2.13,1.05,;4.44,-.28,;5.21,-1.62,;5.21,1.05,;6.75,1.05,;7.52,2.39,;6.75,3.72,;7.52,5.05,;5.21,3.72,;4.44,2.39,;-.53,-3.16,;-2,-3.63,;-2.9,-2.39,;-4.44,-2.39,;-5.21,-1.05,;-6.75,-1.05,;-7.52,-2.39,;-6.75,-3.72,;-7.52,-5.05,;-5.21,-3.72,)|
BDBM269611 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(1.27,1.46,;.18,.37,;-1.31,.77,;-1.71,2.26,;-3.19,2.66,;-4.28,1.57,;-3.88,.08,;-4.97,-1.01,;-6.46,-.61,;-2.4,-.32,;-2,-1.81,;-.53,-2.28,;.8,-1.51,;2.13,-2.28,;1.36,-3.62,;3.47,-3.05,;2.9,-.95,;2.13,.38,;4.44,-.95,;5.21,-2.28,;5.21,.39,;6.75,.38,;7.52,1.72,;6.75,3.05,;7.52,4.39,;5.21,3.05,;4.44,1.72,;-.53,-3.82,;-2,-4.3,;-2.9,-3.05,;-4.44,-3.05,;-5.21,-4.39,;-6.75,-4.39,;-7.52,-3.05,;-6.75,-1.72,;-7.52,-.39,;-5.21,-1.72,)|
BDBM269877 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCC(C)(C)O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(1.36,-2.62,;.02,-3.39,;-1.31,-2.62,;-1.36,-1.05,;-2.69,-.28,;-4.03,-1.05,;-4.03,-2.59,;-5.36,-3.36,;-6.69,-2.59,;-2.69,-3.36,;-2.69,-4.9,;-1.45,-5.81,;-.11,-5.04,;1.22,-5.81,;.45,-7.14,;1.99,-7.14,;2.55,-5.04,;2.55,-3.5,;3.89,-5.81,;3.89,-7.35,;5.22,-8.12,;5.22,-9.66,;6.56,-10.43,;5.22,-11.2,;3.89,-10.43,;5.22,-5.04,;6.56,-5.81,;7.89,-5.04,;7.89,-3.5,;9.22,-2.73,;6.56,-2.73,;5.22,-3.5,;-1.92,-7.27,;-3.46,-7.27,;-3.94,-5.81,;-5.34,-5.33,;-6.11,-6.66,;-7.65,-6.66,;-8.42,-5.33,;-7.65,-3.99,;-8.42,-2.66,;-6.11,-3.99,)|
BDBM269930 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wD:16.16,18.19,(.62,-4.58,;-.71,-5.35,;-2.05,-4.58,;-2.05,-3.04,;-3.38,-2.27,;-4.71,-3.04,;-4.71,-4.58,;-6.05,-5.35,;-7.38,-4.58,;-3.38,-5.35,;-3.38,-6.89,;-2.13,-7.8,;-.8,-7.03,;.53,-7.8,;-.24,-9.13,;1.3,-9.13,;1.87,-7.03,;1.87,-5.49,;3.2,-4.72,;3.2,-3.18,;4.53,-5.49,;4.53,-7.03,;3.2,-7.8,;5.87,-7.8,;5.87,-9.34,;7.2,-10.11,;8.54,-9.34,;9.87,-10.11,;8.54,-7.8,;7.2,-7.03,;-2.61,-9.26,;-4.15,-9.26,;-4.63,-7.8,;-6.11,-7.4,;-6.51,-5.91,;-8,-5.51,;-9.09,-6.6,;-8.69,-8.09,;-9.78,-9.18,;-7.2,-8.49,)|
BDBM270244 CO[C@@H]1C[C@H](CN(C1)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)ncnc1OC |r,wU:2.1,wD:4.16,(3.32,4.08,;4.41,2.99,;4.01,1.5,;2.52,1.1,;2.12,-.39,;3.21,-1.47,;4.7,-1.08,;5.1,.41,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;.63,-.78,;-.14,-2.12,;1.4,-2.12,;-.45,.31,;-1.94,-.09,;-2.42,-1.56,;-3.96,-1.56,;-4.43,-.09,;-5.97,-.09,;-6.74,1.24,;-8.28,1.24,;-9.05,-.09,;-8.28,-1.43,;-6.74,-1.43,;-3.19,.81,;-3.19,2.35,;-4.52,3.12,;-5.86,2.35,;-7.19,3.12,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,;.81,3.12,)|
BDBM269756 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(F)cc1C#N |r,wD:2.1,(2.31,-9.47,;3.65,-8.7,;3.65,-7.16,;2.31,-6.39,;.98,-7.16,;-.11,-8.24,;1.38,-8.64,;-.11,-6.07,;-1.6,-6.47,;-2.07,-7.93,;-3.61,-7.93,;-4.09,-6.47,;-5.58,-6.07,;-5.98,-4.58,;-7.46,-4.18,;-8.55,-5.27,;-8.15,-6.76,;-9.24,-7.85,;-8.84,-9.33,;-6.67,-7.16,;-2.84,-5.56,;-2.84,-3.54,;-4.18,-2.77,;-5.51,-3.54,;-6.84,-2.77,;-4.18,-1.23,;-2.84,-.46,;-1.51,-1.23,;-1.51,-2.77,;-.18,-3.54,;1.16,-2.77,;4.98,-6.39,;4.98,-4.85,;6.31,-4.08,;7.65,-4.85,;8.98,-4.08,;7.65,-6.39,;6.31,-7.21,;6.31,-8.75,;6.31,-10.29,)|
BDBM270213 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncnn1C |r,wU:3.3,2.1,(-4.15,-3.38,;-2.62,-3.22,;-1.71,-4.47,;-.18,-4.3,;.72,-5.55,;.44,-2.9,;1.85,-3.52,;-.96,-2.27,;1.07,-1.49,;.16,-.24,;-1.38,-.24,;-1.85,1.22,;-.61,2.12,;-.61,3.66,;.73,4.43,;.73,5.97,;-.61,6.74,;-1.94,5.97,;-3.27,6.74,;-1.94,4.43,;.64,1.22,;2.11,1.7,;3.25,.67,;2.93,-.84,;4.07,-1.87,;4.71,1.14,;5.03,2.65,;3.89,3.68,;2.43,3.2,;1.28,4.23,;1.6,5.74,;-2.34,-5.87,;-1.57,-7.21,;-2.6,-8.35,;-4.01,-7.72,;-3.85,-6.19,;-4.99,-5.16,)|
BDBM270248 CO[C@@H]1C[C@H](CN(C1)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wU:2.1,wD:4.16,(3.32,4.08,;4.41,2.99,;4.01,1.5,;2.52,1.1,;2.12,-.39,;3.21,-1.47,;4.7,-1.08,;5.1,.41,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;.63,-.78,;-.14,-2.12,;1.4,-2.12,;-.45,.31,;-1.94,-.09,;-2.42,-1.56,;-3.96,-1.56,;-4.43,-.09,;-5.97,-.09,;-6.74,1.24,;-8.28,1.24,;-9.05,-.09,;-8.28,-1.43,;-6.74,-1.43,;-3.19,.81,;-3.19,2.35,;-4.52,3.12,;-5.86,2.35,;-7.19,3.12,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,;.81,3.12,)|
BDBM270145 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)ccnc1OC)c1ccc(Cl)cn1 |r,wD:3.3,2.1,(.73,-4.6,;2.21,-4.2,;2.61,-2.71,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;7.08,-1.51,;8.56,-1.11,;5.99,-.42,;4.5,-.82,)|
BDBM269829 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(F)cn1 |r,wD:3.3,2.1,(3.5,-26.2,;4.59,-25.11,;4.39,-23.58,;3.06,-22.81,;2.86,-21.28,;1.97,-23.9,;.88,-24.99,;3.06,-24.99,;.88,-22.81,;-.45,-23.58,;-.93,-25.04,;-2.47,-25.04,;-2.95,-23.58,;-4.43,-23.18,;-4.83,-21.69,;-6.32,-21.3,;-7.41,-22.38,;-7.01,-23.87,;-8.1,-24.96,;-5.52,-24.27,;-1.7,-22.67,;-1.7,-21.13,;-3.03,-20.36,;-4.37,-21.13,;-5.7,-20.36,;-3.03,-18.82,;-1.7,-18.05,;-.37,-18.82,;-.37,-20.36,;.97,-21.13,;2.3,-20.36,;5.48,-22.49,;5.08,-21,;6.17,-19.91,;7.66,-20.31,;8.75,-19.22,;8.06,-21.8,;6.97,-22.89,)|
BDBM269946 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(cc1C#N)C#N |r,wU:3.3,2.1,(1.87,-10.96,;.96,-9.71,;-.57,-9.87,;-1.47,-8.63,;-3.01,-8.79,;-.85,-7.22,;-2.26,-6.59,;.56,-7.85,;-.22,-5.81,;-1.13,-4.57,;-2.67,-4.57,;-3.14,-3.1,;-1.9,-2.2,;-1.9,-.66,;-.56,.11,;-.56,1.65,;-1.9,2.42,;-3.23,1.65,;-4.56,2.42,;-3.23,.11,;-.65,-3.1,;.81,-2.63,;1.96,-3.66,;1.64,-5.16,;2.78,-6.19,;3.42,-3.18,;3.74,-1.67,;2.6,-.64,;1.13,-1.12,;-.01,-.09,;.31,1.42,;-1.2,-11.28,;-2.73,-11.44,;-3.35,-12.85,;-2.45,-14.09,;-.92,-13.93,;-.29,-12.52,;1.24,-12.36,;2.77,-12.2,;-3.07,-15.5,;-3.7,-16.91,)|
BDBM270040 CCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wU:4.4,3.2,(4.81,-11.06,;3.28,-11.23,;2.37,-9.98,;.84,-10.14,;-.07,-8.89,;-1.6,-9.06,;.56,-7.49,;-.85,-6.86,;1.97,-8.11,;1.19,-6.08,;.28,-4.84,;-1.26,-4.84,;-1.73,-3.37,;-.49,-2.47,;-.49,-.93,;.85,-.16,;.85,1.38,;-.49,2.15,;-1.82,1.38,;-1.82,-.16,;.76,-3.37,;2.22,-2.89,;3.37,-3.93,;3.05,-5.43,;4.19,-6.46,;4.83,-3.45,;5.15,-1.94,;4.01,-.91,;2.54,-1.39,;1.4,-.36,;1.72,1.15,;.21,-11.55,;1.12,-12.79,;.49,-14.2,;-1.04,-14.36,;-1.67,-15.77,;-1.95,-13.12,;-1.32,-11.71,)|
BDBM269596 CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,wD:3.2,(4.86,-4.69,;4.86,-3.15,;3.53,-2.38,;3.53,-.84,;2.2,-.07,;2.2,1.47,;.86,-.84,;.09,-2.17,;1.63,-2.17,;-.47,-.07,;-1.81,-.84,;-2.28,-2.3,;-3.82,-2.3,;-4.3,-.84,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-8.09,-1.77,;-8.86,-3.11,;-10.4,-3.11,;-6.55,-1.77,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,)|
BDBM270042 CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.2,wD:4.4,(4.51,-17.86,;2.98,-18.03,;2.08,-16.78,;.55,-16.94,;-.36,-15.69,;-1.89,-15.86,;.27,-14.29,;-1.14,-13.66,;1.67,-14.91,;.89,-12.88,;-.01,-11.64,;-1.55,-11.64,;-2.03,-10.17,;-.78,-9.27,;-.78,-7.73,;.55,-6.96,;.55,-5.42,;-.78,-4.65,;-2.12,-5.42,;-2.12,-6.96,;.46,-10.17,;1.93,-9.69,;3.07,-10.73,;2.75,-12.23,;3.9,-13.26,;4.54,-10.25,;4.86,-8.74,;3.71,-7.71,;2.25,-8.19,;1.1,-7.16,;1.42,-5.65,;-.08,-18.35,;.82,-19.59,;.2,-21,;-1.33,-21.16,;-1.96,-22.57,;-2.24,-19.92,;-1.61,-18.51,)|
BDBM270047 CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:4.4,wD:3.2,(-2.71,-23.71,;-1.18,-23.87,;-.28,-22.62,;1.26,-22.78,;2.16,-21.54,;3.69,-21.7,;1.53,-20.13,;.13,-20.76,;2.94,-19.5,;.91,-18.72,;1.81,-17.48,;3.35,-17.48,;3.83,-16.01,;2.58,-15.11,;2.58,-13.57,;1.25,-12.8,;1.25,-11.26,;2.58,-10.49,;3.92,-11.26,;5.25,-10.49,;3.92,-12.8,;1.34,-16.01,;-.13,-15.54,;-.45,-14.03,;.7,-13,;.38,-11.49,;-1.91,-13.55,;-3.06,-14.58,;-2.74,-16.09,;-1.27,-16.57,;-.95,-18.07,;-2.1,-19.1,;1.88,-24.19,;3.41,-24.35,;4.04,-25.76,;3.14,-27,;3.76,-28.41,;1.6,-26.84,;.98,-25.43,)|
BDBM270193 COC1CN(C1)[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:6.6,wD:7.8,(2.89,-14.2,;4.23,-13.43,;4.23,-11.89,;3.14,-10.8,;4.23,-9.71,;5.32,-10.8,;4.23,-8.17,;2.89,-7.4,;2.89,-5.86,;1.56,-8.17,;.79,-9.5,;2.33,-9.5,;.23,-7.4,;-1.11,-8.17,;-1.11,-9.71,;-2.57,-10.18,;-3.48,-8.94,;-5.02,-8.94,;-5.79,-7.6,;-7.33,-7.6,;-8.1,-8.94,;-7.33,-10.27,;-8.1,-11.6,;-9.64,-11.6,;-5.79,-10.27,;-2.57,-7.69,;-2.97,-6.2,;-1.88,-5.11,;-.39,-5.51,;.69,-4.42,;-2.28,-3.63,;-3.77,-3.23,;-4.86,-4.32,;-4.46,-5.81,;-5.95,-6.2,;-6.34,-4.72,;5.56,-7.4,;6.89,-8.17,;8.23,-7.4,;8.23,-5.86,;9.56,-5.09,;6.89,-5.09,;5.56,-5.86,)|
BDBM270191 COC1CN(C1)[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:6.6,7.8,(2.89,-14.2,;4.23,-13.43,;4.23,-11.89,;3.14,-10.8,;4.23,-9.71,;5.32,-10.8,;4.23,-8.17,;2.89,-7.4,;2.89,-5.86,;1.56,-8.17,;.79,-9.5,;2.33,-9.5,;.23,-7.4,;-1.11,-8.17,;-1.11,-9.71,;-2.57,-10.18,;-3.48,-8.94,;-5.02,-8.94,;-5.79,-7.6,;-7.33,-7.6,;-8.1,-8.94,;-7.33,-10.27,;-8.1,-11.6,;-9.64,-11.6,;-5.79,-10.27,;-2.57,-7.69,;-2.97,-6.2,;-1.88,-5.11,;-.39,-5.51,;.69,-4.42,;-2.28,-3.63,;-3.77,-3.23,;-4.86,-4.32,;-4.46,-5.81,;-5.95,-6.2,;-6.34,-4.72,;5.56,-7.4,;6.89,-8.17,;8.23,-7.4,;8.23,-5.86,;9.56,-5.09,;6.89,-5.09,;5.56,-5.86,)|
BDBM270020 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(5.33,-8.74,;6.1,-7.4,;5.33,-6.07,;3.79,-6.07,;3.02,-4.74,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;1.69,-6.63,;.35,-7.4,;.35,-8.94,;-1.11,-9.42,;-2.02,-8.17,;-3.5,-7.77,;-3.9,-6.29,;-5.39,-5.89,;-6.48,-6.98,;-6.08,-8.46,;-7.17,-9.55,;-4.59,-8.86,;-1.11,-6.93,;-1.94,-4.48,;-3.43,-4.08,;-4.52,-5.17,;-6.01,-4.77,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,;6.1,-4.74,;7.64,-4.74,;8.41,-3.4,;7.64,-2.07,;8.41,-.73,;6.1,-2.07,;5.33,-3.4,)|
BDBM269833 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(cc1F)C#N |r,wD:3.3,2.1,(3.07,-26.2,;4.16,-25.11,;3.96,-23.58,;2.62,-22.81,;2.42,-21.28,;1.53,-23.9,;.45,-24.99,;2.62,-24.99,;.45,-22.81,;-.89,-23.58,;-1.36,-25.04,;-2.9,-25.04,;-3.38,-23.58,;-4.87,-23.18,;-5.27,-21.69,;-6.75,-21.3,;-7.84,-22.38,;-7.44,-23.87,;-8.53,-24.96,;-5.96,-24.27,;-2.13,-22.67,;-2.13,-21.13,;-3.47,-20.36,;-4.8,-21.13,;-6.14,-20.36,;-3.47,-18.82,;-2.13,-18.05,;-.8,-18.82,;-.8,-20.36,;.53,-21.13,;1.87,-20.36,;5.05,-22.49,;4.65,-21,;5.74,-19.91,;7.22,-20.31,;7.62,-21.8,;6.53,-22.89,;6.93,-24.38,;8.31,-19.22,;9.4,-18.14,)|
BDBM269956 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(cc2S(C)(=O)=O)C#N)nnc1-c1cncc(C)c1 |r,wU:17.18,(-7.9,6.51,;-6.57,5.74,;-5.23,6.51,;-5.23,8.05,;-3.9,8.82,;-2.56,8.05,;-2.56,6.51,;-1.23,5.74,;.1,6.51,;-3.9,5.74,;-3.9,4.2,;-2.65,3.3,;-1.32,4.07,;.02,3.3,;-.75,1.96,;.79,1.96,;1.35,4.07,;2.68,3.3,;2.68,1.76,;4.02,4.07,;5.35,3.3,;6.68,4.07,;6.73,5.63,;5.35,6.38,;4.02,5.61,;2.68,6.38,;1.35,5.61,;1.91,7.71,;3.45,7.71,;8.07,6.4,;9.4,7.17,;-3.13,1.83,;-4.67,1.83,;-5.14,3.3,;-6.63,3.69,;-7.03,5.18,;-8.52,5.58,;-9.61,4.49,;-9.21,3,;-10.3,1.91,;-7.72,2.6,)|
BDBM269708 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cc(C)ccn1 |r,wU:16.17,(-7.03,5.9,;-5.69,5.13,;-4.36,5.9,;-4.36,7.44,;-3.02,8.21,;-1.69,7.44,;-1.69,5.9,;-.36,5.13,;.98,5.9,;-3.02,5.13,;-3.02,3.59,;-1.78,2.68,;-.45,3.45,;.89,2.68,;.12,1.35,;1.66,1.35,;2.22,3.45,;2.22,4.99,;3.56,2.68,;4.89,3.45,;6.22,2.68,;7.56,3.45,;7.56,4.99,;8.89,5.76,;6.22,5.76,;4.89,4.99,;-2.25,1.22,;-3.79,1.22,;-4.27,2.68,;-5.81,2.68,;-6.58,4.02,;-8.12,4.02,;-8.89,5.35,;-8.89,2.68,;-8.12,1.35,;-6.58,1.35,)|
BDBM270052 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wU:16.17,(-7.03,1.79,;-5.69,1.02,;-4.36,1.79,;-4.36,3.33,;-3.02,4.1,;-1.69,3.33,;-1.69,1.79,;-.36,1.02,;.98,1.79,;-3.02,1.02,;-3.02,-.52,;-1.78,-1.43,;-.45,-.66,;.89,-1.43,;.12,-2.76,;1.66,-2.76,;2.22,-.66,;2.22,.88,;3.56,-1.43,;4.89,-.66,;6.22,-1.43,;7.56,-.66,;7.56,.88,;8.89,1.65,;6.22,1.65,;4.89,.88,;-2.25,-2.89,;-3.79,-2.89,;-4.27,-1.43,;-5.81,-1.43,;-6.58,-.1,;-8.12,-.1,;-8.89,-1.43,;-8.12,-2.76,;-8.89,-4.1,;-6.58,-2.76,)|
BDBM269704 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(Cl)c1 |r,wU:16.17,(-7.03,5.9,;-5.69,5.13,;-4.36,5.9,;-4.36,7.44,;-3.02,8.21,;-1.69,7.44,;-1.69,5.9,;-.36,5.13,;.98,5.9,;-3.02,5.13,;-3.02,3.59,;-1.78,2.68,;-.45,3.45,;.89,2.68,;.12,1.35,;1.66,1.35,;2.22,3.45,;2.22,4.99,;3.56,2.68,;4.89,3.45,;6.22,2.68,;7.56,3.45,;7.56,4.99,;8.89,5.76,;6.22,5.76,;4.89,4.99,;-2.25,1.22,;-3.79,1.22,;-4.27,2.68,;-5.81,2.68,;-6.58,1.35,;-8.12,1.35,;-8.89,2.68,;-8.12,4.02,;-8.89,5.35,;-6.58,4.02,)|
BDBM270259 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1 |r,wU:18.19,wD:16.17,(-7.6,3.18,;-6.27,2.41,;-4.94,3.18,;-4.94,4.72,;-3.6,5.49,;-2.27,4.72,;-2.27,3.18,;-.94,2.41,;.4,3.18,;-3.6,2.41,;-3.6,.87,;-2.36,-.04,;-.87,.36,;.22,-.73,;-1.27,-1.13,;1.31,-1.82,;1.71,-.33,;2.11,1.16,;2.8,-1.42,;2.4,-2.91,;3.49,-4,;4.97,-3.6,;3.09,-5.49,;4.28,-1.02,;4.76,.44,;6.3,.44,;7.33,1.59,;8.84,1.27,;9.31,-.2,;8.28,-1.34,;6.77,-1.02,;5.53,-1.93,;-2.83,-1.5,;-4.37,-1.5,;-4.85,-.04,;-6.34,.36,;-6.74,1.85,;-8.22,2.24,;-9.31,1.16,;-8.91,-.33,;-7.43,-.73,)|
BDBM270178 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(-7.1,2.38,;-5.77,1.61,;-4.44,2.38,;-4.44,3.92,;-3.1,4.69,;-1.77,3.92,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-3.1,1.61,;-3.1,.07,;-1.86,-.84,;-.52,-.07,;.81,-.84,;1.58,-2.17,;.04,-2.17,;2.14,-.07,;2.14,1.47,;3.48,-.84,;3.48,-2.38,;4.81,-3.15,;6.14,-2.38,;4.81,-4.69,;4.81,-.07,;4.81,1.47,;6.14,2.24,;7.48,1.47,;8.81,2.24,;7.48,-.07,;6.14,-.84,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-8.12,2.93,;-6.24,1.05,)|
BDBM269881 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OCC(C)(C)O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.28,-3.3,;-.05,-4.07,;-1.39,-3.3,;-1.44,-1.74,;-2.77,-.97,;-4.1,-1.74,;-4.1,-3.28,;-5.44,-4.05,;-6.77,-3.28,;-2.77,-4.05,;-2.77,-5.77,;-1.52,-6.67,;-.19,-5.9,;1.14,-6.67,;1.91,-8.01,;.37,-8.01,;2.48,-5.9,;2.48,-4.36,;3.81,-6.67,;3.81,-8.21,;5.14,-8.98,;5.14,-10.52,;6.48,-11.29,;5.14,-12.06,;3.81,-11.29,;5.14,-5.9,;5.14,-4.36,;6.48,-3.59,;7.81,-4.36,;9.15,-3.59,;7.81,-5.9,;6.48,-6.67,;-2,-8.14,;-3.54,-8.14,;-4.02,-6.67,;-5.35,-5.9,;-6.12,-7.24,;-7.66,-7.24,;-8.43,-5.9,;-7.66,-4.57,;-8.43,-3.24,;-6.12,-4.57,)|
BDBM270252 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H]2C[C@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1-c1cccnc1 |r,wU:16.16,18.31,(-6.81,-2.69,;-5.47,-3.46,;-4.14,-2.69,;-4.14,-1.15,;-2.81,-.38,;-1.47,-1.15,;-1.47,-2.69,;-.14,-3.46,;1.19,-2.69,;-2.81,-3.46,;-2.81,-5,;-1.56,-5.9,;-.07,-5.5,;1.02,-6.59,;.25,-7.92,;1.79,-7.92,;2.5,-6.19,;2.9,-4.7,;4.39,-4.31,;5.48,-5.39,;5.08,-6.88,;3.59,-7.28,;6.17,-7.97,;5.77,-9.46,;6.86,-10.55,;8.35,-10.15,;9.44,-11.24,;8.75,-8.66,;7.66,-7.57,;4.79,-2.82,;6.28,-2.42,;6.67,-.93,;7.36,-3.51,;-2.04,-7.36,;-3.58,-7.36,;-4.05,-5.9,;-5.59,-5.9,;-6.36,-4.57,;-7.9,-4.57,;-8.67,-5.9,;-7.9,-7.23,;-6.36,-7.23,)|
BDBM269879 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OCCO)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.36,-2.94,;.02,-3.71,;-1.31,-2.94,;-1.36,-1.37,;-2.69,-.6,;-4.03,-1.37,;-4.03,-2.91,;-5.36,-3.68,;-6.69,-2.91,;-2.69,-3.68,;-2.69,-5.22,;-1.45,-6.13,;-.11,-5.36,;1.22,-6.13,;.45,-7.46,;1.99,-7.46,;2.55,-5.36,;2.55,-3.82,;3.89,-6.13,;3.89,-7.67,;5.22,-8.44,;5.22,-9.98,;6.56,-10.75,;5.22,-5.36,;6.56,-6.13,;7.89,-5.36,;7.89,-3.82,;9.22,-3.05,;6.56,-3.05,;5.22,-3.82,;-1.92,-7.59,;-3.46,-7.59,;-3.94,-6.13,;-5.34,-5.64,;-6.11,-6.98,;-7.65,-6.98,;-8.42,-5.64,;-7.65,-4.31,;-8.42,-2.98,;-6.11,-4.31,)|
BDBM269691 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cccnc1 |r,wD:16.17,(-6.48,-6.09,;-5.15,-6.86,;-3.81,-6.09,;-3.81,-4.55,;-2.48,-3.78,;-1.15,-4.55,;-1.15,-6.09,;.19,-6.86,;1.52,-6.09,;-2.48,-6.86,;-2.48,-8.4,;-1.23,-9.3,;.1,-8.53,;1.43,-9.3,;2.77,-10.07,;.1,-10.07,;2.77,-8.53,;2.77,-6.99,;4.1,-9.3,;5.44,-8.53,;6.77,-9.3,;8.1,-8.53,;8.1,-6.99,;9.44,-6.22,;6.77,-6.22,;5.44,-6.99,;-1.71,-10.77,;-3.25,-10.77,;-3.72,-9.3,;-5.26,-9.3,;-6.03,-7.97,;-7.57,-7.97,;-8.34,-9.3,;-7.57,-10.64,;-6.03,-10.64,)|
BDBM269888 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(C=C)c1 |r,wD:16.17,(1.99,-3.97,;.66,-4.74,;-.68,-3.97,;-.68,-2.43,;-2.01,-1.66,;-3.34,-2.43,;-3.34,-3.97,;-4.68,-4.74,;-6.01,-3.97,;-2.01,-4.74,;-2.01,-6.28,;-.76,-7.19,;.57,-6.42,;1.9,-7.19,;2.67,-8.52,;1.13,-8.52,;3.24,-6.42,;3.24,-4.88,;4.57,-7.19,;5.9,-6.42,;5.9,-4.88,;7.24,-4.11,;8.57,-4.88,;9.9,-4.11,;8.57,-6.42,;7.24,-7.19,;-1.24,-8.65,;-2.78,-8.65,;-3.26,-7.19,;-4.8,-7.19,;-5.57,-8.52,;-7.11,-8.52,;-7.88,-7.19,;-7.11,-5.85,;-7.88,-4.52,;-9.42,-4.52,;-5.57,-5.85,)|
BDBM269823 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-5.56,-12.46,;-4.23,-13.23,;-2.89,-12.46,;-2.89,-10.92,;-1.56,-10.15,;-.22,-10.92,;-.22,-12.46,;1.11,-13.23,;2.44,-12.46,;-1.56,-13.23,;-1.56,-14.77,;-.31,-15.68,;1.18,-15.28,;2.26,-16.37,;1.18,-17.46,;3.35,-17.46,;3.35,-15.28,;2.95,-13.79,;4.84,-15.68,;5.24,-17.17,;5.93,-14.59,;5.53,-13.1,;6.62,-12.01,;8.11,-12.41,;9.2,-11.32,;8.51,-13.9,;7.42,-14.99,;-.79,-17.14,;-2.33,-17.14,;-2.8,-15.68,;-4.29,-15.28,;-4.69,-13.79,;-6.18,-13.39,;-7.27,-14.48,;-6.87,-15.97,;-7.96,-17.06,;-5.38,-16.37,)|
BDBM270098 CCOc1cccc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC)c2ncc(C)cn2)nnc1-c1cccc(OC)n1 |(-3.45,-3.99,.59;-2.74,-3.58,.59;-2.02,-3.99,.59;-1.35,-3.52,.59;-1.52,-2.66,.37;-.99,-2.23,-.22;-.29,-2.66,-.59;-.11,-3.52,-.37;.68,-3.73,-.37;1.27,-3.15,-.37;-.64,-3.95,.22;-.43,-4.74,.01;.35,-5,.01;1.07,-4.59,.01;1.78,-5,.01;1.37,-5.71,.01;2.5,-5.41,.01;2.19,-4.28,.01;1.78,-3.57,.01;3.02,-4.28,.01;3.43,-5,.01;4.26,-5,.01;3.43,-3.57,.01;4.26,-3.57,.01;4.67,-2.86,.01;4.26,-2.14,.01;4.67,-1.43,.01;3.43,-2.14,.01;3.02,-2.86,.01;.35,-5.82,.01;-.43,-6.08,.01;-.92,-5.41,.01;-1.74,-5.41,.01;-2.15,-4.7,.01;-2.98,-4.7,.01;-3.39,-5.41,.01;-2.98,-6.13,.01;-3.39,-6.84,.01;-4.22,-6.84,.01;-2.15,-6.13,.01)|
BDBM269642 CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269633 CNC(=O)c1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,(-8.12,-5.43,;-7.35,-4.1,;-8.12,-2.76,;-9.66,-2.76,;-7.35,-1.43,;-8.12,-.1,;-7.35,1.24,;-5.81,1.24,;-5.04,-.1,;-5.81,-1.43,;-3.5,-.1,;-3.02,-1.56,;-1.48,-1.56,;-1.01,-.1,;.32,.67,;1.66,-.1,;.89,-1.43,;2.43,-1.43,;2.99,.67,;2.99,2.21,;4.33,-.1,;5.66,.67,;6.99,-.1,;8.33,.67,;8.33,2.21,;9.66,2.98,;6.99,2.98,;5.66,2.21,;-2.25,.81,;-2.25,2.35,;-.92,3.12,;.41,2.35,;1.75,3.12,;-.92,4.66,;-2.25,5.43,;-3.59,4.66,;-3.59,3.12,;-4.92,2.35,;-6.26,3.12,)|
BDBM270187 CN[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:2.1,3.3,(4.79,-8.7,;3.46,-7.93,;3.46,-6.39,;2.12,-5.62,;2.12,-4.08,;.79,-6.39,;.02,-7.72,;1.56,-7.72,;-.54,-5.62,;-1.88,-6.39,;-1.88,-7.93,;-3.34,-8.4,;-4.25,-7.16,;-5.79,-7.16,;-6.56,-8.49,;-8.1,-8.49,;-8.87,-7.16,;-8.1,-5.82,;-8.87,-4.49,;-6.56,-5.82,;-3.34,-5.91,;-3.74,-4.42,;-2.65,-3.33,;-1.16,-3.73,;-.08,-2.64,;-3.05,-1.85,;-4.54,-1.45,;-5.63,-2.54,;-5.23,-4.02,;-6.72,-4.42,;-7.11,-2.94,;4.79,-5.62,;6.12,-6.39,;7.46,-5.62,;7.46,-4.08,;8.79,-3.31,;6.12,-3.31,;4.79,-4.08,)|
BDBM270096 CNc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-8.08,-4.76,;-8.85,-3.43,;-8.08,-2.1,;-8.85,-.76,;-8.08,.57,;-6.54,.57,;-5.77,-.76,;-6.54,-2.1,;-4.23,-.76,;-3.75,-2.23,;-2.21,-2.23,;-1.73,-.76,;-.4,.01,;.69,-1.08,;-.4,-2.17,;1.09,-2.57,;2.18,-1.48,;2.18,-3.02,;3.51,-.71,;4.84,-1.48,;4.84,-3.02,;6.18,-3.79,;7.51,-3.02,;8.85,-3.79,;7.51,-1.48,;6.18,-.71,;-2.98,.14,;-2.98,1.68,;-4.31,2.45,;-5.65,1.68,;-6.98,2.45,;-4.31,3.99,;-2.98,4.76,;-1.65,3.99,;-1.65,2.45,;-.31,1.68,;1.02,2.45,)|
BDBM269892 CN[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,wD:3.3,(3.32,-18.18,;4.6,-17.45,;4.6,-15.91,;3.26,-15.14,;3.26,-13.6,;1.93,-15.91,;1.16,-17.24,;2.7,-17.24,;.59,-15.14,;-.74,-15.91,;-1.22,-17.37,;-2.76,-17.37,;-3.23,-15.91,;-4.77,-15.91,;-5.54,-14.57,;-7.08,-14.57,;-7.85,-15.91,;-7.08,-17.24,;-7.85,-18.57,;-9.39,-18.57,;-5.54,-17.24,;-1.99,-15,;-1.99,-13.46,;-.65,-12.69,;.68,-13.46,;2.02,-12.69,;-.65,-11.15,;-1.99,-10.38,;-3.32,-11.15,;-3.32,-12.69,;-4.65,-13.46,;-5.99,-12.69,;5.93,-15.14,;7.26,-15.91,;8.6,-15.14,;8.6,-13.6,;9.93,-12.83,;7.26,-12.83,;5.93,-13.6,)|
BDBM269890 CN[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,wD:3.3,(3.39,-18.18,;4.66,-17.45,;4.66,-15.91,;3.33,-15.14,;3.33,-13.6,;2,-15.91,;1.23,-17.24,;2.77,-17.24,;.66,-15.14,;-.67,-15.91,;-1.15,-17.37,;-2.69,-17.37,;-3.16,-15.91,;-4.7,-15.91,;-5.47,-14.57,;-7.01,-14.57,;-7.78,-15.91,;-7.01,-17.24,;-7.78,-18.57,;-9.32,-18.57,;-5.47,-17.24,;-1.92,-15,;-1.92,-13.46,;-.58,-12.69,;.75,-13.46,;2.08,-12.69,;-.58,-11.15,;-1.92,-10.38,;-3.25,-11.15,;-3.25,-12.69,;-4.58,-13.46,;-5.92,-12.69,;6,-15.14,;7.33,-15.91,;8.66,-15.14,;8.66,-13.6,;10,-12.83,;7.33,-12.83,;6,-13.6,)|
BDBM269859 CO[C@@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,(5.25,.6,;3.92,1.37,;3.92,2.91,;2.59,3.68,;1.25,2.91,;.48,1.57,;2.02,1.57,;-.08,3.68,;-1.41,2.91,;-1.89,1.44,;-3.43,1.44,;-3.91,2.91,;-5.39,3.31,;-5.79,4.79,;-7.28,5.19,;-8.37,4.1,;-7.97,2.62,;-9.06,1.53,;-10.55,1.93,;-6.48,2.22,;-2.66,3.81,;-2.66,5.35,;-1.33,6.12,;.01,5.35,;1.34,6.12,;-1.33,7.66,;-2.66,8.43,;-3.99,7.66,;-3.99,6.12,;-5.33,5.35,;-6.66,6.12,;5.25,3.68,;6.59,2.91,;7.92,3.68,;7.92,5.22,;9.25,5.99,;6.59,5.99,;5.25,5.22,)|
BDBM269725 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wD:3.3,2.1,(3.26,-3.14,;1.72,-2.98,;.82,-4.22,;-.71,-4.06,;-1.62,-5.31,;-1.34,-2.66,;-2.75,-3.28,;.07,-2.03,;-1.97,-1.25,;-1.06,-0,;.48,-0,;.96,1.46,;-.29,2.37,;-.29,3.91,;1.04,4.68,;1.04,6.22,;-.29,6.99,;-1.62,6.22,;-2.96,6.99,;-4.29,6.22,;-1.62,4.68,;-1.54,1.46,;-3,1.94,;-4.15,.91,;-3.82,-.6,;-4.97,-1.63,;-5.61,1.38,;-5.93,2.89,;-4.79,3.92,;-3.32,3.44,;-2.18,4.47,;-2.5,5.98,;1.45,-5.63,;2.98,-5.79,;3.6,-7.2,;2.7,-8.44,;3.32,-9.85,;1.17,-8.28,;.54,-6.88,)|
BDBM270203 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ccnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.76,-2.26,;6.22,-2.26,;5.45,-.93,;3.91,-.93,;3.14,.41,;3.14,-2.26,;4.48,-3.03,;2.37,-3.59,;1.81,-1.49,;.48,-2.26,;.48,-3.8,;-.99,-4.27,;-1.89,-3.03,;-3.38,-2.63,;-3.78,-1.14,;-5.27,-.74,;-6.36,-1.83,;-5.96,-3.32,;-7.05,-4.41,;-8.53,-4.01,;-4.47,-3.72,;-.99,-1.78,;-1.53,.33,;-.44,1.42,;1.05,1.02,;2.14,2.11,;-.84,2.9,;-2.32,3.3,;-3.41,2.21,;-3.02,.73,;-4.1,-.36,;-5.59,.04,;6.22,.41,;7.76,.41,;8.53,1.74,;7.76,3.08,;8.53,4.41,;6.22,3.08,;5.45,1.74,)|
BDBM270171 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(O)ncnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.16,-3.15,;3.82,-2.38,;3.82,-.84,;2.49,-.07,;2.49,1.47,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;-.18,-.07,;-1.51,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-10.64,-1.82,;-6.58,-1.53,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,)|
BDBM269508 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(6.11,-3.4,;4.62,-3,;4.22,-1.51,;2.73,-1.11,;2.33,.38,;1.64,-2.2,;.56,-3.29,;2.73,-3.29,;.56,-1.11,;-.93,-1.51,;-1.41,-2.97,;-2.95,-2.97,;-3.42,-1.51,;-4.91,-1.11,;-5.31,.38,;-6.8,.78,;-7.89,-.31,;-7.49,-1.8,;-8.58,-2.89,;-8.18,-4.38,;-6,-2.2,;-2.18,-.6,;-2.18,1.3,;-3.51,2.07,;-4.85,1.3,;-6.18,2.07,;-3.51,3.61,;-2.18,4.38,;-.84,3.61,;-.84,2.07,;.49,1.3,;1.82,2.07,;5.31,-.42,;6.8,-.82,;7.89,.27,;7.49,1.76,;8.58,2.85,;6,2.16,;4.91,1.07,)|
BDBM269806 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(F)cn1 |r,wD:2.1,(7.77,-13.93,;6.23,-13.93,;5.46,-12.6,;3.92,-12.6,;3.15,-13.93,;2.38,-15.26,;4.49,-14.7,;1.82,-13.16,;.49,-13.93,;.49,-15.47,;-.98,-15.95,;-1.88,-14.7,;-3.37,-14.3,;-3.77,-12.81,;-5.26,-12.42,;-6.35,-13.5,;-5.95,-14.99,;-7.04,-16.08,;-6.64,-17.57,;-4.46,-15.39,;-.98,-13.45,;-1.55,-11.31,;-.46,-10.22,;1.02,-10.62,;2.11,-9.53,;-.86,-8.74,;-2.35,-8.34,;-3.44,-9.43,;-3.04,-10.91,;-4.13,-12,;-5.62,-11.6,;6.23,-11.26,;5.46,-9.93,;6.23,-8.6,;7.77,-8.6,;8.54,-7.26,;8.54,-9.93,;7.77,-11.26,)|
BDBM269952 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(cc1S(C)(=O)=O)C#N |r,wD:2.1,(4.77,-10.95,;3.43,-10.18,;3.43,-8.64,;2.1,-7.87,;.77,-8.64,;1.54,-9.97,;-0,-9.97,;-.57,-7.87,;-1.9,-8.64,;-2.38,-10.11,;-3.92,-10.11,;-4.39,-8.64,;-5.88,-8.24,;-6.28,-6.75,;-7.77,-6.36,;-8.86,-7.44,;-8.46,-8.93,;-9.55,-10.02,;-9.15,-11.51,;-6.97,-9.33,;-3.15,-7.74,;-3.15,-6.2,;-4.48,-5.43,;-5.81,-6.2,;-7.15,-5.43,;-4.48,-3.89,;-3.15,-3.12,;-1.81,-3.89,;-1.81,-5.43,;-.48,-6.2,;.85,-5.43,;4.77,-7.87,;6.1,-8.64,;7.44,-7.87,;7.44,-6.33,;6.1,-5.56,;4.77,-6.33,;3.43,-5.56,;2.1,-6.33,;2.66,-4.23,;4.2,-4.23,;8.77,-5.56,;10.1,-4.79,)|
BDBM269986 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)s1 |r,wD:2.1,(5.07,-8.87,;3.73,-8.1,;3.73,-6.56,;2.4,-5.79,;1.07,-6.56,;1.84,-7.9,;.3,-7.9,;-.27,-5.79,;-1.6,-6.56,;-2.08,-8.03,;-3.62,-8.03,;-4.09,-6.56,;-5.58,-6.16,;-5.98,-4.68,;-7.47,-4.28,;-8.55,-5.37,;-8.16,-6.85,;-9.25,-7.94,;-8.85,-9.43,;-6.67,-7.25,;-2.85,-5.66,;-2.85,-4.12,;-4.18,-3.35,;-5.51,-4.12,;-6.85,-3.35,;-4.18,-1.81,;-2.85,-1.04,;-1.51,-1.81,;-1.51,-3.35,;-.18,-4.12,;1.15,-3.35,;5.07,-5.79,;5.07,-4.25,;6.53,-3.78,;7.44,-5.02,;8.77,-5.79,;6.53,-6.27,)|
BDBM269862 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)C1CCC1 |r,wD:2.1,3.3,(6.61,.56,;5.27,1.33,;5.27,2.87,;3.94,3.64,;3.94,5.18,;2.61,2.87,;1.84,1.53,;3.38,1.53,;1.27,3.64,;-.06,2.87,;-.54,1.4,;-2.08,1.4,;-2.55,2.87,;-4.04,3.27,;-4.44,4.75,;-5.93,5.15,;-7.02,4.06,;-6.62,2.58,;-7.71,1.49,;-9.19,1.89,;-5.13,2.18,;-1.31,3.77,;-1.31,5.31,;.03,6.08,;1.36,5.31,;2.69,6.08,;.03,7.62,;-1.31,8.39,;-2.64,7.62,;-2.64,6.08,;-3.98,5.31,;-5.31,6.08,;6.61,3.64,;8.09,3.24,;8.49,4.73,;7.01,5.13,)|
BDBM269861 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)C1CCC1 |r,wU:3.3,wD:2.1,(6.46,-8.18,;5.13,-7.41,;5.13,-5.87,;3.79,-5.1,;3.79,-3.56,;2.46,-5.87,;1.69,-7.2,;3.23,-7.2,;1.13,-5.1,;-.21,-5.87,;-.68,-7.33,;-2.22,-7.33,;-2.7,-5.87,;-4.19,-5.47,;-4.59,-3.98,;-6.07,-3.58,;-7.16,-4.67,;-6.76,-6.16,;-7.85,-7.25,;-9.34,-6.85,;-5.28,-6.56,;-1.45,-4.96,;-1.45,-3.42,;-.12,-2.65,;1.21,-3.42,;2.55,-2.65,;-.12,-1.11,;-1.45,-.34,;-2.79,-1.11,;-2.79,-2.65,;-4.12,-3.42,;-5.46,-2.65,;6.46,-5.1,;7.95,-5.5,;8.35,-4.01,;6.86,-3.61,)|
BDBM269964 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1cnc(C)nc1 |r,wU:3.3,wD:2.1,(5.12,-20.36,;3.78,-19.59,;3.78,-18.05,;2.45,-17.28,;2.45,-15.74,;1.12,-18.05,;.35,-19.38,;1.89,-19.38,;-.22,-17.28,;-1.55,-18.05,;-2.03,-19.51,;-3.57,-19.51,;-4.04,-18.05,;-5.53,-17.65,;-5.93,-16.16,;-7.42,-15.76,;-8.5,-16.85,;-8.11,-18.34,;-9.2,-19.43,;-8.8,-20.91,;-6.62,-18.74,;-2.8,-17.14,;-2.8,-15.6,;-4.13,-14.83,;-5.46,-15.6,;-6.8,-14.83,;-4.13,-13.29,;-2.8,-12.52,;-1.46,-13.29,;-1.46,-14.83,;-.13,-15.6,;1.2,-14.83,;5.12,-17.28,;6.45,-18.05,;7.79,-17.28,;7.79,-15.74,;9.12,-14.97,;6.45,-14.97,;5.12,-15.74,)|
BDBM270036 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,wD:2.1,(-1.89,-23.6,;-.99,-22.35,;.54,-22.51,;1.45,-21.27,;2.98,-21.43,;.82,-19.86,;-.58,-20.48,;2.23,-19.23,;.2,-18.45,;1.1,-17.21,;2.64,-17.21,;3.12,-15.74,;1.87,-14.84,;1.87,-13.3,;.54,-12.53,;.54,-10.99,;1.87,-10.22,;3.21,-10.99,;4.54,-10.22,;4.54,-8.68,;3.21,-12.53,;.63,-15.74,;-.84,-15.27,;-1.16,-13.76,;-.01,-12.73,;-.33,-11.22,;-2.62,-13.28,;-3.77,-14.31,;-3.45,-15.82,;-1.98,-16.3,;-1.66,-17.8,;-2.81,-18.83,;1.17,-23.92,;2.7,-24.08,;3.33,-25.49,;2.42,-26.73,;3.05,-28.14,;.89,-26.57,;.27,-25.16,)|
BDBM270006 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(cn1)C#N |r,wU:3.3,wD:2.1,(4.81,-9.41,;3.32,-9.01,;2.92,-7.52,;1.43,-7.12,;1.03,-5.64,;.34,-8.21,;-.75,-9.3,;1.43,-9.3,;-.75,-7.12,;-2.23,-7.52,;-2.71,-8.99,;-4.25,-8.99,;-4.72,-7.52,;-6.21,-7.12,;-7.3,-8.21,;-8.79,-7.81,;-9.19,-6.33,;-8.1,-5.24,;-8.5,-3.75,;-6.61,-5.64,;-3.48,-6.62,;-3.48,-4.72,;-4.81,-3.95,;-6.15,-4.72,;-7.48,-3.95,;-4.81,-2.41,;-3.48,-1.64,;-2.14,-2.41,;-2.14,-3.95,;-.81,-4.72,;.52,-3.95,;4.01,-6.43,;3.61,-4.94,;4.7,-3.86,;6.19,-4.25,;6.59,-5.74,;5.5,-6.83,;7.28,-3.17,;8.37,-2.08,)|
BDBM269655 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(OC(F)F)n1 |r,wU:16.17,(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-8.89,-2.76,;-8.12,-4.1,;-8.89,-5.43,;-6.58,-4.1,;-6.58,-1.43,)|
BDBM269604 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,(.98,1.79,;-.36,1.02,;-1.69,1.79,;-1.69,3.33,;-3.02,4.1,;-4.36,3.33,;-4.36,1.79,;-5.69,1.02,;-7.03,1.79,;-3.02,1.02,;-3.02,-.52,;-1.78,-1.43,;-.45,-.66,;.89,-1.43,;.12,-2.76,;1.66,-2.76,;2.22,-.66,;2.22,.88,;3.56,-1.43,;4.89,-.66,;6.22,-1.43,;7.56,-.66,;7.56,.88,;8.89,1.65,;6.22,1.65,;4.89,.88,;-2.25,-2.89,;-3.79,-2.89,;-4.27,-1.43,;-5.81,-1.43,;-6.58,-.1,;-8.12,-.1,;-8.89,-1.43,;-8.12,-2.76,;-8.89,-4.1,;-6.58,-2.76,)|
BDBM270018 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-6.01,-4.77,;-4.52,-5.17,;-3.43,-4.08,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,;-1.94,-4.48,;-1.11,-6.93,;.35,-7.4,;1.69,-6.63,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;3.79,-6.07,;3.02,-4.74,;5.33,-6.07,;6.1,-7.4,;6.1,-4.74,;7.64,-4.74,;8.41,-3.4,;7.64,-2.07,;8.41,-.73,;6.1,-2.07,;5.33,-3.4,;.35,-8.94,;-1.11,-9.42,;-2.02,-8.17,;-3.5,-7.77,;-3.9,-6.29,;-5.39,-5.89,;-6.48,-6.98,;-6.08,-8.46,;-7.17,-9.55,;-4.59,-8.86,)|
BDBM270240 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cccnc1 |r,wD:16.16,18.19,(-7.19,3.12,;-5.86,2.35,;-4.52,3.12,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,;.81,3.12,;-3.19,2.35,;-3.19,.81,;-1.94,-.09,;-.45,.31,;.63,-.78,;-.14,-2.12,;1.4,-2.12,;2.12,-.39,;2.52,1.1,;4.01,1.5,;4.41,2.99,;5.1,.41,;4.7,-1.08,;3.21,-1.47,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;-2.42,-1.56,;-3.96,-1.56,;-4.43,-.09,;-5.97,-.09,;-6.74,1.24,;-8.28,1.24,;-9.05,-.09,;-8.28,-1.43,;-6.74,-1.43,)|
BDBM270014 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ncc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-5.74,-5.54,;-4.26,-5.94,;-3.17,-4.85,;-3.56,-3.36,;-2.48,-2.27,;-.99,-2.67,;-.59,-4.16,;.9,-4.56,;1.99,-3.47,;-1.68,-5.25,;-1.17,-7.1,;.29,-7.57,;1.63,-6.8,;2.96,-7.57,;2.19,-8.9,;4.29,-8.34,;3.73,-6.24,;2.96,-4.9,;5.27,-6.24,;6.04,-7.57,;6.04,-4.9,;7.58,-4.9,;8.35,-3.57,;7.58,-2.24,;8.35,-.9,;6.04,-2.24,;5.27,-3.57,;.29,-9.11,;-1.17,-9.59,;-2.08,-8.34,;-3.62,-8.34,;-4.39,-7.01,;-5.93,-7.01,;-6.7,-8.34,;-5.93,-9.67,;-6.7,-11.01,;-4.39,-9.67,)|
BDBM270058 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(-7.1,2.38,;-5.77,1.61,;-4.44,2.38,;-4.44,3.92,;-3.1,4.69,;-1.77,3.92,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-3.1,1.61,;-3.1,.07,;-1.86,-.84,;-.52,-.07,;.81,-.84,;1.58,-2.17,;.04,-2.17,;2.14,-.07,;2.14,1.47,;3.48,-.84,;3.48,-2.38,;4.81,-3.15,;6.14,-2.38,;4.81,-4.69,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-6.24,1.05,)|
BDBM50058655 CCN(CC)C(=S)SSC(=S)N(CC)CC
BDBM50061921 Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccccc1
BDBM50027837 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027842 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027830 CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027845 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027844 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027832 CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027831 CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027834 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027836 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50171923 OC(C(=O)c1ccco1)c1ccco1
BDBM50227494 O=S(=O)(Nc1cccc2cccnc12)c1ccccc1
BDBM50242271 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50271181 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1
BDBM270030 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:4.4,3.2,(3.48,.48,;1.95,.31,;1.04,1.56,;-.49,1.4,;-1.4,2.65,;-2.93,2.48,;-.77,4.05,;-2.18,4.68,;.64,3.43,;-.14,5.46,;-1.05,6.7,;-2.59,6.7,;-3.06,8.17,;-1.82,9.07,;-1.82,10.61,;-.48,11.38,;-.48,12.92,;-1.82,13.69,;-3.15,12.92,;-4.49,13.69,;-5.82,12.92,;-3.15,11.38,;-.57,8.17,;.89,8.65,;2.04,7.61,;1.72,6.11,;2.86,5.08,;3.5,8.09,;3.82,9.6,;2.68,10.63,;1.21,10.15,;.07,11.18,;.39,12.69,;-1.12,-.01,;-.21,-1.25,;-.84,-2.66,;-2.37,-2.82,;-3,-4.23,;-3.27,-1.58,;-2.65,-.17,)|
BDBM50393942 CC(C)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393943 Cc1ccnc(SCc2cc(=O)c(OC(=O)C(C)(C)C)co2)n1
BDBM50393944 Cc1ccnc(SCc2cc(=O)c(OCc3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM50393945 Cc1ccnc(SCc2cc(=O)c(OCc3ccccc3)co2)n1
BDBM50393946 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccccc2)cc1=O
BDBM50393947 Cc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)cc1
BDBM50393948 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccc(Cl)cc2)cc1=O
BDBM50393949 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccc(OC(F)(F)F)cc2)cc1=O
BDBM50393950 COc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)cc1
BDBM50393894 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)C(F)(F)F)co2)n1
BDBM50393895 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)C#N)co2)n1
BDBM50393896 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393897 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)n1
BDBM50393898 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(c3)[N+]([O-])=O)co2)n1
BDBM50393899 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(c3)[N+]([O-])=O)co2)n1
BDBM50393900 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)n1
BDBM50393901 COc1cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c(cc1OC)[N+]([O-])=O
BDBM50393902 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50393903 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50393904 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393905 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)-c1ccccc1
BDBM50393906 Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393907 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393908 [O-][N+](=O)c1ccc(Cl)cc1C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393909 Cc1ccc(cc1C)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393910 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM50393951 Cc1cc(C)nc(SCc2cc(=O)c(O)co2)n1
BDBM50393952 Cc1ccnc(SCc2cc(=O)c(O)co2)n1
BDBM50393911 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393912 Fc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393913 CC(C)(C)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393914 CCCCOc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393915 CC(C)Oc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393916 CCOc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393917 COc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393918 Cc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393919 Brc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393920 FC(F)(F)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393921 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)C#N
BDBM50393922 Clc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393923 [O-][N+](=O)c1cccc(c1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393924 Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393925 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393926 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1
BDBM50393927 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+]([O-])=O)co2)n1
BDBM50393928 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)S(=O)(=O)N3CCCC3)co2)n1
BDBM50393929 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1
BDBM50393930 COc1ccc(cc1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393931 Cc1ccc(cc1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393953 Oc1coc(CSc2ncccn2)cc1=O
BDBM50393954 Oc1coc(CSc2ccc(F)cc2)cc1=O
BDBM50393955 Oc1coc(CSc2ccccc2)cc1=O
BDBM50393956 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(c3)C#N)co2)n1
BDBM50393957 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(OC(F)(F)F)cc3)co2)n1
BDBM50393958 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)n1
BDBM50393959 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1
BDBM50393960 Cc1cccc(c1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393961 COc1cccc(c1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393962 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)n1
BDBM50393963 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(ccc3Cl)[N+]([O-])=O)co2)n1
BDBM50393964 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393932 Cc1ccnc(n1)S(=O)(=O)Cc1cc(=O)c(OC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)co1
BDBM50393933 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cnco3)co2)n1
BDBM50393934 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(o3)[N+]([O-])=O)co2)n1
BDBM50393935 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccsc3)co2)n1
BDBM50393936 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1
BDBM50393937 Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393938 Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccccc3)co2)n1
BDBM50393939 Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393940 Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccccc3)co2)n1
BDBM50393941 CC(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM269837 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,wD:2.1,(3.03,-11.82,;4.36,-11.05,;4.36,-9.51,;3.03,-8.74,;3.03,-7.2,;1.69,-9.51,;.92,-10.85,;2.46,-10.85,;.36,-8.74,;-.98,-9.51,;-1.45,-10.98,;-2.99,-10.98,;-3.47,-9.51,;-4.95,-9.11,;-5.72,-10.45,;-7.26,-10.45,;-8.03,-9.11,;-7.26,-7.78,;-8.03,-6.45,;-5.72,-7.78,;-2.22,-8.61,;-2.22,-7.07,;-.84,-6.32,;.49,-7.09,;1.83,-6.32,;-.89,-4.76,;-2.22,-3.99,;-3.56,-4.76,;-3.56,-6.3,;-4.89,-7.07,;-6.22,-6.3,;5.69,-8.74,;7.03,-9.51,;8.36,-8.74,;8.36,-7.2,;9.69,-6.43,;7.03,-6.43,;5.69,-7.2,)|
BDBM269619 COc1cc(ccn1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.4,-3.11,;-8.86,-3.11,;-8.09,-1.77,;-6.55,-1.77,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-4.3,-.84,;-3.82,-2.3,;-2.28,-2.3,;-1.81,-.84,;-.47,-.07,;.86,-.84,;.09,-2.17,;1.63,-2.17,;2.2,-.07,;2.2,1.47,;3.53,-.84,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,)|
BDBM269873 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC[C@H](C)O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,wD:21.23,(1.36,-14.72,;.03,-15.49,;-1.3,-14.72,;-1.35,-13.15,;-2.69,-12.38,;-4.02,-13.15,;-4.02,-14.69,;-5.35,-15.46,;-6.69,-14.69,;-2.69,-15.46,;-2.69,-17,;-1.44,-17.9,;-.11,-17.13,;1.23,-17.9,;.46,-19.24,;2,-19.24,;2.56,-17.13,;2.56,-15.59,;3.89,-17.9,;3.89,-19.44,;5.23,-20.21,;5.23,-21.75,;6.56,-22.52,;3.89,-22.52,;5.23,-17.13,;6.56,-17.9,;7.9,-17.13,;7.9,-15.59,;9.23,-14.82,;6.56,-14.82,;5.23,-15.59,;-1.92,-19.37,;-3.46,-19.37,;-3.93,-17.9,;-5.34,-17.42,;-6.11,-18.76,;-7.65,-18.76,;-8.42,-17.42,;-7.65,-16.09,;-8.42,-14.76,;-6.11,-16.09,)|
BDBM269814 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2cc(C)no2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-7.29,-14.62,;-7.69,-13.13,;-6.6,-12.04,;-7,-10.55,;-5.91,-9.46,;-4.42,-9.86,;-4.02,-11.35,;-5.11,-12.44,;-2.69,-12.12,;-2.21,-13.58,;-.67,-13.58,;-.2,-12.12,;1.14,-11.35,;2.47,-12.12,;1.38,-13.21,;3.56,-13.21,;3.56,-11.03,;5.05,-11.43,;5.44,-12.92,;6.13,-10.34,;6.13,-8.8,;7.6,-8.32,;8.37,-6.99,;8.5,-9.57,;7.6,-10.81,;-1.44,-11.21,;-1.44,-9.31,;-2.78,-8.54,;-4.11,-9.31,;-5.45,-8.54,;-2.78,-7,;-1.44,-6.23,;-.11,-7,;-.11,-8.54,;1.22,-9.31,;2.56,-8.54,)|
BDBM269949 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(cc2S(C)(=O)=O)C#N)n1-c1c(OC)cccc1OC |r,wD:17.18,(-9.15,-11.69,;-9.55,-10.2,;-8.46,-9.11,;-8.86,-7.62,;-7.77,-6.53,;-6.28,-6.93,;-5.88,-8.42,;-6.97,-9.51,;-4.39,-8.82,;-3.92,-10.28,;-2.38,-10.28,;-1.9,-8.82,;-.57,-8.05,;.77,-8.82,;1.54,-10.15,;-0,-10.15,;2.1,-8.05,;3.43,-8.82,;3.43,-10.36,;4.77,-8.05,;6.1,-8.82,;7.43,-8.05,;7.43,-6.51,;6.1,-5.74,;4.77,-6.51,;3.43,-5.74,;2.1,-6.51,;2.66,-4.4,;4.2,-4.4,;8.77,-5.74,;10.1,-4.97,;-3.15,-7.91,;-3.15,-6.37,;-4.48,-5.6,;-5.81,-6.37,;-7.15,-5.6,;-4.48,-4.06,;-3.15,-3.29,;-1.81,-4.06,;-1.81,-5.6,;-.48,-6.37,;.85,-5.6,)|
BDBM269809 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(cn2)C#N)n1-c1c(OC)cccc1OC |r,wD:17.18,(-7.37,-18.24,;-7.77,-16.75,;-6.68,-15.66,;-7.08,-14.17,;-5.99,-13.08,;-4.5,-13.48,;-4.1,-14.97,;-5.19,-16.06,;-2.62,-15.37,;-1.71,-16.61,;-.25,-16.14,;-.25,-14.6,;1.09,-13.83,;2.42,-14.6,;1.65,-15.93,;3.75,-15.37,;3.19,-13.26,;4.73,-13.26,;5.5,-14.6,;5.5,-11.93,;4.73,-10.6,;5.5,-9.26,;7.07,-9.21,;7.81,-10.6,;7.04,-11.93,;7.84,-7.88,;8.61,-6.55,;-1.71,-14.12,;-2.29,-11.98,;-1.2,-10.89,;.29,-11.29,;1.38,-10.2,;-1.6,-9.4,;-3.08,-9,;-4.17,-10.09,;-3.77,-11.58,;-4.86,-12.67,;-6.35,-12.27,)|
BDBM269954 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2cnc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.8,-10.19,;-9.2,-8.7,;-8.11,-7.61,;-8.5,-6.12,;-7.42,-5.04,;-5.93,-5.43,;-5.53,-6.92,;-6.62,-8.01,;-4.04,-7.32,;-3.57,-8.78,;-2.03,-8.78,;-1.55,-7.32,;-.22,-6.55,;1.12,-7.32,;1.89,-8.65,;.35,-8.65,;2.45,-6.55,;3.78,-7.32,;3.78,-8.86,;5.12,-6.55,;6.45,-7.32,;7.79,-6.55,;7.79,-5.01,;9.12,-4.24,;6.45,-4.24,;5.12,-5.01,;-2.8,-6.41,;-2.8,-4.87,;-4.13,-4.1,;-5.46,-4.87,;-6.8,-4.1,;-4.13,-2.56,;-2.8,-1.79,;-1.46,-2.56,;-1.46,-4.1,;-.13,-4.87,;1.2,-4.1,)|
BDBM269958 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2cnc(C)nc2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.8,-9.79,;-9.2,-8.3,;-8.11,-7.21,;-8.5,-5.73,;-7.42,-4.64,;-5.93,-5.04,;-5.53,-6.52,;-6.62,-7.61,;-4.04,-6.92,;-3.57,-8.39,;-2.03,-8.39,;-1.55,-6.92,;-.22,-6.15,;1.12,-6.92,;.35,-8.26,;1.89,-8.26,;2.45,-6.15,;3.78,-6.92,;3.78,-8.46,;5.12,-6.15,;6.45,-6.92,;7.79,-6.15,;7.79,-4.61,;9.12,-3.84,;6.45,-3.84,;5.12,-4.61,;-2.8,-6.02,;-2.8,-4.48,;-4.13,-3.71,;-5.46,-4.48,;-6.8,-3.71,;-4.13,-2.17,;-2.8,-1.4,;-1.46,-2.17,;-1.46,-3.71,;-.13,-4.48,;1.2,-3.71,)|
BDBM269760 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ccc(F)cc2F)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-9.25,-20.18,;-8.85,-18.69,;-7.36,-18.3,;-6.96,-16.81,;-5.47,-16.41,;-4.39,-17.5,;-4.78,-18.99,;-6.27,-19.38,;-3.7,-20.08,;-3.7,-21.62,;-2.23,-22.09,;-1.33,-20.85,;.21,-20.85,;.98,-22.18,;1.75,-23.51,;-.35,-22.95,;2.32,-21.41,;2.32,-19.87,;3.65,-22.18,;3.65,-23.72,;4.99,-21.41,;4.99,-19.87,;6.32,-19.1,;7.65,-19.87,;8.99,-19.1,;7.65,-21.41,;6.32,-22.18,;6.32,-23.72,;-2.23,-19.6,;-1.47,-16.75,;-2.56,-15.66,;-4.04,-16.06,;-5.13,-14.97,;-2.16,-14.17,;-.67,-13.77,;.42,-14.86,;.02,-16.35,;1.11,-17.44,;2.6,-17.04,)|
BDBM269961 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2cnc(C)nc2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-8.8,-20.91,;-9.2,-19.43,;-8.11,-18.34,;-8.5,-16.85,;-7.42,-15.76,;-5.93,-16.16,;-5.53,-17.65,;-6.62,-18.74,;-4.04,-18.05,;-3.57,-19.51,;-2.03,-19.51,;-1.55,-18.05,;-.22,-17.28,;1.12,-18.05,;.35,-19.38,;1.89,-19.38,;2.45,-17.28,;2.45,-15.74,;3.78,-18.05,;3.78,-19.59,;5.12,-17.28,;6.45,-18.05,;7.79,-17.28,;7.79,-15.74,;9.12,-14.97,;6.45,-14.97,;5.12,-15.74,;-2.8,-17.14,;-2.8,-15.6,;-4.13,-14.83,;-5.46,-15.6,;-6.8,-14.83,;-4.13,-13.29,;-2.8,-12.52,;-1.46,-13.29,;-1.46,-14.83,;-.13,-15.6,;1.2,-14.83,)|
BDBM269990 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cc[nH]c1=O |r,wU:18.19,16.17,(-8.89,-10.62,;-9.29,-9.13,;-8.2,-8.04,;-8.6,-6.56,;-7.51,-5.47,;-6.02,-5.87,;-5.62,-7.35,;-6.71,-8.44,;-4.13,-7.75,;-3.66,-9.22,;-2.12,-9.22,;-1.64,-7.75,;-.31,-6.98,;1.02,-7.75,;1.79,-9.09,;.25,-9.09,;2.36,-6.98,;2.36,-5.44,;3.69,-7.75,;3.69,-9.29,;5.03,-6.98,;6.36,-7.75,;7.69,-6.98,;7.69,-5.44,;9.03,-4.67,;6.36,-4.67,;5.03,-5.44,;-2.89,-6.85,;-2.89,-5.31,;-4.22,-4.54,;-5.56,-5.31,;-6.89,-4.54,;-4.22,-3,;-2.89,-2.23,;-1.56,-3,;-1.56,-4.54,;-.22,-5.31,)|
BDBM269884 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
BDBM270088 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2CCCO[C@@H]2c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.16,21.23,(-6.42,-3.12,;-7.19,-1.79,;-6.42,-.45,;-7.19,.88,;-6.42,2.21,;-4.88,2.21,;-4.11,.88,;-4.88,-.45,;-2.57,.88,;-2.09,-.59,;-.55,-.59,;-.08,.88,;1.46,.88,;2.23,-.45,;2.63,-1.94,;.9,-1.22,;3.57,.32,;3.57,1.86,;4.9,2.63,;6.24,1.86,;6.24,.32,;4.9,-.45,;5.3,-1.94,;4.21,-3.03,;4.61,-4.52,;6.1,-4.92,;6.5,-6.4,;7.19,-3.83,;6.79,-2.34,;-1.32,1.78,;-1.32,3.32,;-2.65,4.09,;-3.99,3.32,;-5.32,4.09,;-2.65,5.63,;-1.32,6.4,;.01,5.63,;.01,4.09,;1.35,3.32,;2.68,4.09,)|
BDBM270232 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)n1-c1c(F)cccc1F |r,wD:16.16,18.19,(-8.28,-4.09,;-9.05,-2.76,;-8.28,-1.43,;-9.05,-.09,;-8.28,1.24,;-6.74,1.24,;-5.97,-.09,;-6.74,-1.43,;-4.43,-.09,;-3.96,-1.56,;-2.42,-1.56,;-1.94,-.09,;-.45,.31,;.63,-.78,;1.4,-2.12,;-.14,-2.12,;2.12,-.39,;2.52,1.1,;4.01,1.5,;4.41,2.99,;5.1,.41,;4.7,-1.08,;3.21,-1.47,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;-3.19,.81,;-3.19,2.35,;-4.52,3.12,;-5.86,2.35,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,)|
BDBM270138 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](C)c2cnc(OC)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-11.19,-4,;-9.65,-4,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-6.57,-1.33,;-7.34,-2.66,;-5.03,-1.33,;-4.56,-2.79,;-3.02,-2.79,;-2.54,-1.33,;-1.05,-.93,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;1.52,-1.62,;1.92,-.13,;2.61,-2.71,;2.21,-4.2,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;7.08,-1.51,;8.56,-1.11,;9.65,-2.2,;5.99,-.42,;4.5,-.82,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,)|
BDBM269613 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)|
BDBM269797 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(cc2)C#N)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-10.66,6.44,;-9.12,6.44,;-8.35,5.1,;-9.12,3.77,;-8.35,2.43,;-6.81,2.43,;-6.04,3.77,;-6.81,5.1,;-4.5,3.77,;-4.03,2.3,;-2.49,2.3,;-2.01,3.77,;-.68,4.54,;.65,3.77,;1.05,2.28,;-.43,2.68,;2.19,3.77,;2.96,5.1,;2.96,2.43,;2.19,1.1,;4.5,2.43,;5.27,1.1,;6.81,1.1,;7.64,2.43,;6.81,3.77,;5.27,3.77,;9.18,2.44,;10.72,2.44,;-3.26,4.67,;-3.26,6.21,;-4.59,6.98,;-5.93,6.21,;-7.26,6.98,;-4.59,8.52,;-3.26,9.29,;-1.93,8.52,;-1.93,6.98,;-.59,6.21,;.74,6.98,)|
BDBM269801 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccccc2OC)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-7.45,6.32,;-8.22,4.99,;-7.45,3.65,;-8.22,2.32,;-7.45,.99,;-5.91,.99,;-5.14,2.32,;-5.91,3.65,;-3.6,2.32,;-3.13,.86,;-1.59,.86,;-1.11,2.32,;.22,3.09,;1.56,2.32,;.79,.99,;2.33,.99,;2.89,3.09,;2.89,4.63,;4.22,2.32,;4.22,.78,;5.56,3.09,;6.89,2.32,;8.22,3.09,;8.22,4.63,;6.89,5.4,;5.56,4.63,;4.22,5.4,;4.22,6.94,;-2.36,3.23,;-2.36,4.77,;-3.69,5.54,;-5.03,4.77,;-6.36,5.54,;-3.69,7.08,;-2.36,7.85,;-1.02,7.08,;-1.02,5.54,;.31,4.77,;1.64,5.54,)|
BDBM269616 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)|
BDBM269901 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)|
BDBM269906 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C2CC2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.41,-8.33,;-6.92,-8.73,;-5.83,-7.64,;-6.23,-6.16,;-5.14,-5.07,;-3.65,-5.47,;-3.25,-6.95,;-4.34,-8.04,;-1.77,-7.35,;-1.29,-8.82,;.25,-8.82,;.73,-7.35,;2.06,-6.58,;3.39,-7.35,;2.62,-8.69,;4.16,-8.69,;4.73,-6.58,;4.73,-5.04,;6.06,-7.35,;6.06,-8.89,;7.39,-6.58,;8.93,-6.58,;8.16,-5.25,;-.52,-6.45,;-.52,-4.91,;-1.85,-4.14,;-3.19,-4.91,;-4.52,-4.14,;-1.85,-2.6,;-.52,-1.83,;.81,-2.6,;.81,-4.14,;2.15,-4.91,;3.48,-4.14,)|
BDBM269909 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C2CCCCC2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.96,-8.33,;-7.48,-8.73,;-6.39,-7.64,;-6.79,-6.16,;-5.7,-5.07,;-4.21,-5.47,;-3.81,-6.95,;-4.9,-8.04,;-2.32,-7.35,;-1.85,-8.82,;-.31,-8.82,;.17,-7.35,;1.5,-6.58,;2.84,-7.35,;2.07,-8.69,;3.61,-8.69,;4.17,-6.58,;4.17,-5.04,;5.5,-7.35,;5.5,-8.89,;6.84,-6.58,;8.17,-7.35,;9.5,-6.58,;9.5,-5.04,;8.17,-4.27,;6.84,-5.04,;-1.08,-6.45,;-1.08,-4.91,;-2.41,-4.14,;-3.74,-4.91,;-5.08,-4.14,;-2.41,-2.6,;-1.08,-1.83,;.26,-2.6,;.26,-4.14,;1.59,-4.91,;2.92,-4.14,)|
BDBM269768 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(F)cc2S(C)(=O)=O)n1-c1c(OC)cccc1OC |r,wD:18.19,16.17,(-8.62,-6.29,;-8.22,-4.81,;-6.73,-4.41,;-6.33,-2.92,;-4.85,-2.52,;-3.76,-3.61,;-4.16,-5.1,;-5.64,-5.5,;-3.07,-6.19,;-3.07,-7.73,;-1.6,-8.2,;-.7,-6.96,;.84,-6.96,;1.61,-8.29,;.28,-9.06,;2.38,-9.63,;2.95,-7.52,;2.95,-6.03,;4.24,-8.27,;4.24,-9.76,;5.53,-7.52,;5.53,-6.03,;6.82,-5.28,;8.12,-6.03,;9.41,-5.28,;8.12,-7.52,;6.82,-8.41,;6.82,-9.95,;5.28,-9.95,;6.82,-11.49,;8.36,-9.95,;-1.6,-5.71,;-1.17,-3.4,;.32,-3.01,;1.41,-4.1,;2.9,-3.7,;.72,-1.52,;-.37,-.43,;-1.86,-.83,;-2.26,-2.32,;-3.74,-2.71,;-4.83,-1.63,)|
BDBM269713 CCNC(=O)c1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:19.20,(-5.04,2.44,;-5.81,1.1,;-7.35,1.1,;-8.12,2.44,;-9.66,2.44,;-7.35,3.77,;-8.12,5.1,;-7.35,6.44,;-5.81,6.44,;-5.04,5.1,;-5.81,3.77,;-3.5,5.1,;-3.02,3.64,;-1.48,3.64,;-1.01,5.1,;.32,5.87,;1.66,5.1,;.89,3.77,;2.43,3.77,;2.99,5.87,;2.99,7.41,;4.33,5.1,;5.66,5.87,;6.99,5.1,;8.33,5.87,;8.33,7.41,;9.66,8.18,;6.99,8.18,;5.66,7.41,;-2.25,6.01,;-2.25,7.55,;-3.59,8.32,;-4.92,7.55,;-6.26,8.32,;-3.59,9.86,;-2.25,10.63,;-.92,9.86,;-.92,8.32,;.41,7.55,;1.75,8.32,)|
BDBM270249 CO[C@H]1C[C@H](CN(C1)c1ncc(F)cn1)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wD:4.16,2.1,(3.32,4.08,;4.41,2.99,;4.01,1.5,;2.52,1.1,;2.12,-.39,;3.21,-1.47,;4.7,-1.08,;5.1,.41,;5.79,-2.16,;5.39,-3.65,;6.48,-4.74,;7.97,-4.34,;9.05,-5.43,;8.36,-2.86,;7.27,-1.77,;.63,-.78,;-.14,-2.12,;1.4,-2.12,;-.45,.31,;-1.94,-.09,;-2.42,-1.56,;-3.96,-1.56,;-4.43,-.09,;-5.97,-.09,;-6.74,1.24,;-8.28,1.24,;-9.05,-.09,;-8.28,-1.43,;-6.74,-1.43,;-3.19,.81,;-3.19,2.35,;-4.52,3.12,;-5.86,2.35,;-7.19,3.12,;-4.52,4.66,;-3.19,5.43,;-1.85,4.66,;-1.85,3.12,;-.52,2.35,;.81,3.12,)|
BDBM270254 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1-c1cccnc1 |r,wU:18.31,wD:16.16,(-6.81,-2.69,;-5.47,-3.46,;-4.14,-2.69,;-4.14,-1.15,;-2.81,-.38,;-1.47,-1.15,;-1.47,-2.69,;-.14,-3.46,;1.19,-2.69,;-2.81,-3.46,;-2.81,-5,;-1.56,-5.9,;-.07,-5.5,;1.02,-6.59,;.25,-7.92,;1.79,-7.92,;2.5,-6.19,;2.9,-4.7,;4.39,-4.31,;5.48,-5.39,;5.08,-6.88,;3.59,-7.28,;6.17,-7.97,;5.77,-9.46,;6.86,-10.55,;8.35,-10.15,;9.44,-11.24,;8.75,-8.66,;7.66,-7.57,;4.79,-2.82,;6.28,-2.42,;6.67,-.93,;7.36,-3.51,;-2.04,-7.36,;-3.58,-7.36,;-4.05,-5.9,;-5.59,-5.9,;-6.36,-4.57,;-7.9,-4.57,;-8.67,-5.9,;-7.9,-7.23,;-6.36,-7.23,)|
BDBM270024 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)c2cnc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.66,-9.16,;-7.17,-9.55,;-6.08,-8.46,;-6.48,-6.98,;-5.39,-5.89,;-3.9,-6.29,;-3.5,-7.77,;-4.59,-8.86,;-2.02,-8.17,;-1.11,-9.42,;.35,-8.94,;.35,-7.4,;1.69,-6.63,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;3.79,-6.07,;3.02,-4.74,;5.33,-6.07,;6.1,-7.4,;6.1,-4.74,;7.64,-4.74,;8.41,-3.4,;7.64,-2.07,;8.41,-.73,;6.1,-2.07,;5.33,-3.4,;-1.11,-6.93,;-1.94,-4.48,;-3.43,-4.08,;-4.52,-5.17,;-6.01,-4.77,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,)|
BDBM269972 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)c2ncc(C)nc2OC)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.39,-9.74,;-8.79,-8.25,;-7.7,-7.16,;-8.1,-5.67,;-7.01,-4.58,;-5.53,-4.98,;-5.13,-6.47,;-6.22,-7.56,;-3.64,-6.87,;-3.16,-8.33,;-1.62,-8.33,;-1.15,-6.87,;.19,-6.1,;1.52,-6.87,;.75,-8.2,;2.29,-8.2,;2.85,-6.1,;2.85,-4.56,;4.19,-6.87,;4.19,-8.41,;5.52,-6.1,;5.52,-4.56,;6.85,-3.79,;8.19,-4.56,;9.52,-3.79,;8.19,-6.1,;6.85,-6.87,;6.85,-8.41,;8.19,-9.18,;-2.39,-5.96,;-2.39,-4.42,;-3.73,-3.65,;-5.06,-4.42,;-6.4,-3.65,;-3.73,-2.11,;-2.39,-1.34,;-1.06,-2.11,;-1.06,-3.65,;.27,-4.42,;1.61,-3.65,)|
BDBM269852 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
BDBM269625 COc1cccnc1-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-6.58,-4.76,;-5.81,-3.43,;-6.58,-2.1,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM270146 COc1ccnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.22,1.89,;-1.12,1.12,;-2.45,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,;-3.79,1.12,;-3.79,-.42,;-2.54,-1.33,;-1.05,-.93,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;1.52,-1.62,;1.92,-.13,;2.61,-2.71,;2.21,-4.2,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;7.08,-1.51,;8.56,-1.11,;5.99,-.42,;4.5,-.82,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,)|
BDBM269786 COc1cnc(cn1)[C@H](O)[C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC |r,wD:8.9,10.11,(9.57,9.67,;8.49,10.75,;7,10.36,;6.6,8.87,;5.11,8.47,;4.02,9.56,;4.42,11.05,;5.91,11.44,;2.54,9.16,;2.14,7.67,;1.45,10.25,;1.85,11.74,;-.04,9.85,;-.81,8.52,;.36,8.36,;-1.13,10.94,;-2.46,10.17,;-2.94,8.7,;-4.48,8.7,;-4.95,10.17,;-6.49,10.17,;-7.26,8.84,;-8.8,8.84,;-9.57,10.17,;-8.8,11.5,;-9.57,12.84,;-7.26,11.5,;-3.71,11.07,;-3.71,12.61,;-5.04,13.38,;-6.38,12.61,;-7.71,13.38,;-5.04,14.92,;-3.71,15.69,;-2.38,14.92,;-2.38,13.38,;-1.04,12.61,;.31,13.35,)|
BDBM269783 COc1cnc(cn1)[C@H](O)[C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC |r,wU:10.11,wD:8.9,(20.95,-8.64,;19.86,-7.55,;18.37,-7.95,;17.97,-9.43,;16.48,-9.83,;15.39,-8.74,;15.79,-7.26,;17.28,-6.86,;13.91,-9.14,;13.51,-10.63,;12.82,-8.05,;13.22,-6.57,;11.33,-8.45,;12.08,-9.74,;10.58,-9.74,;10.02,-7.74,;8.53,-8.14,;8.06,-9.61,;6.52,-9.61,;6.04,-8.14,;4.5,-8.14,;3.73,-9.48,;2.19,-9.48,;1.42,-8.14,;2.19,-6.81,;1.4,-5.43,;3.73,-6.81,;7.29,-7.24,;7.29,-5.7,;5.95,-4.93,;4.62,-5.7,;3.29,-4.93,;5.95,-3.39,;7.29,-2.62,;8.62,-3.39,;8.62,-4.93,;9.95,-5.7,;11.29,-4.93,)|
BDBM269598 COc1cncc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.4,-3.11,;-8.86,-3.11,;-8.09,-1.77,;-8.86,-.44,;-8.09,.89,;-6.55,.89,;-5.78,-.44,;-6.55,-1.77,;-4.3,-.84,;-3.82,-2.3,;-2.28,-2.3,;-1.81,-.84,;-.47,-.07,;.86,-.84,;.09,-2.17,;1.63,-2.17,;2.2,-.07,;2.2,1.47,;3.53,-.84,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,)|
BDBM270270 COc1nc[nH]c(=O)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ccc(Cl)cn2)nnc1-c1cccnc1 |r,wU:15.16,17.18,(.76,1.89,;-.57,1.12,;-1.91,1.89,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.19,-3.35,;1.35,-3.35,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.04,-.82,;6.53,-.42,;7.62,-1.51,;9.11,-1.11,;7.22,-3,;5.73,-3.4,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,.01,;-8.34,.01,;-9.11,-1.33,;-8.34,-2.66,;-6.8,-2.66,)|
BDBM270077 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2CCCO[C@@H]2c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.16,21.23,(-5.03,3.53,;-3.69,2.76,;-2.36,3.53,;-2.36,5.07,;-1.02,5.84,;.31,5.07,;.31,3.53,;1.64,2.76,;2.98,3.53,;-1.02,2.76,;-1.02,1.22,;.22,.32,;1.56,1.09,;2.89,.32,;3.66,-1.02,;2.12,-1.02,;4.22,1.09,;4.22,2.63,;5.56,3.4,;6.89,2.63,;6.89,1.09,;5.56,.32,;5.56,-1.22,;4.22,-1.99,;4.22,-3.53,;5.56,-4.3,;5.56,-5.84,;6.89,-3.53,;6.89,-1.99,;-.25,-1.15,;-1.79,-1.15,;-2.27,.32,;-3.81,.32,;-4.58,-1.02,;-6.12,-1.02,;-6.89,.32,;-6.12,1.65,;-6.89,2.98,;-4.58,1.65,)|
BDBM269999 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@](C)(F)c2ncc(cn2)C#N)nnc1-c1cncc(C)c1 |r,wU:16.17,18.20,wD:18.19,(-6.16,-17.31,;-4.67,-17.71,;-3.58,-16.62,;-3.98,-15.13,;-2.89,-14.04,;-1.4,-14.44,;-1.01,-15.93,;.48,-16.33,;1.57,-15.24,;-2.09,-17.02,;-1.17,-19.85,;.08,-20.76,;1.41,-19.99,;2.75,-20.76,;1.98,-22.09,;4.08,-21.53,;3.52,-19.42,;2.75,-18.09,;5.06,-19.42,;5.06,-20.96,;5.83,-20.76,;5.83,-18.09,;7.37,-18.09,;8.14,-16.76,;7.37,-15.42,;5.83,-15.42,;5.06,-16.76,;8.14,-14.09,;8.91,-12.75,;-.4,-22.22,;-1.94,-22.22,;-2.41,-20.76,;-3.9,-20.36,;-4.3,-18.87,;-5.79,-18.47,;-6.87,-19.56,;-6.48,-21.05,;-7.57,-22.14,;-4.99,-21.45,)|
BDBM269820 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(cc2F)C#N)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-6.23,-12.46,;-4.9,-13.23,;-3.56,-12.46,;-3.56,-10.92,;-2.23,-10.15,;-.9,-10.92,;-.9,-12.46,;.44,-13.23,;1.77,-12.46,;-2.23,-13.23,;-2.23,-14.77,;-.99,-15.68,;.5,-15.28,;1.59,-16.37,;.5,-17.46,;2.68,-17.46,;2.68,-15.28,;2.28,-13.79,;4.17,-15.68,;4.57,-17.17,;5.26,-14.59,;6.74,-14.99,;7.83,-13.9,;7.47,-12.37,;5.95,-12.01,;4.86,-13.1,;3.37,-12.7,;8.56,-11.28,;9.65,-10.2,;-1.46,-17.14,;-3,-17.14,;-3.48,-15.68,;-4.96,-15.28,;-5.36,-13.79,;-6.85,-13.39,;-7.94,-14.48,;-7.54,-15.97,;-8.63,-17.06,;-6.05,-16.37,)|
BDBM269602 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM50014622 CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014623 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014624 CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50014625 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50014626 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014627 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50014628 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014629 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O |r|
BDBM50014630 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50014631 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014632 CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50014635 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014653 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50014659 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50014663 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50014679 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r|
BDBM50014605 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014606 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(N)=O |r|
BDBM50014607 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50014608 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014609 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50014610 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014611 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O)C(N)=O |r|
BDBM50014612 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50014613 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O |r|
BDBM50014614 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
BDBM50014615 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
BDBM270092 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](C)n2cc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-7.9,-4.76,;-8.67,-3.43,;-7.9,-2.1,;-8.67,-.76,;-7.9,.57,;-6.36,.57,;-5.59,-.76,;-6.36,-2.1,;-4.05,-.76,;-3.57,-2.23,;-2.03,-2.23,;-1.55,-.76,;-.01,-.76,;.76,-2.1,;1.15,-3.58,;-.58,-2.87,;2.09,-1.33,;2.09,.21,;3.42,-2.1,;3.42,-3.64,;4.76,-1.33,;6.22,-1.8,;7.13,-.56,;8.67,-.56,;6.22,.69,;4.76,.21,;-2.8,.14,;-2.8,1.68,;-4.13,2.45,;-5.47,1.68,;-6.8,2.45,;-4.13,3.99,;-2.8,4.76,;-1.47,3.99,;-1.47,2.45,;-.13,1.68,;1.2,2.45,)|
BDBM50014616 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50014617 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(C)=O)C(N)=O |r|
BDBM50014618 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50014619 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50014620 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50014621 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O |r|
BDBM50019419 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:34:33:31:27.28.29,24:25:27.34.28:32.30.31,THB:34:28:25.33.32:31,29:28:25:32.30.31,29:30:25:27.34.28,35:25:27.34.28:32.30.31,24:25:31:27.28.29,(56.32,-26.53,;57,-27.91,;56.16,-29.2,;54.62,-29.11,;53.77,-30.4,;54.48,-31.78,;56.01,-31.87,;56.7,-33.24,;55.87,-34.52,;56.85,-30.58,;58.38,-30.66,;58.85,-32.13,;60.39,-32.13,;60.87,-30.67,;59.62,-29.75,;59.62,-28.21,;60.96,-27.45,;60.96,-25.91,;59.62,-25.13,;59.62,-23.59,;58.28,-25.92,;58.29,-27.45,;61.3,-33.38,;60.67,-34.79,;62.83,-33.22,;63.74,-34.46,;64.93,-33.19,;66.26,-33.67,;67.66,-33.33,;67.67,-31.8,;66.27,-31.22,;64.92,-31.7,;65.23,-32.45,;65.24,-34.04,;66.65,-34.6,;63.1,-35.87,;61.57,-36.03,;64.01,-37.12,)|
BDBM50019423 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O |(18.77,-17.38,;19.54,-16.04,;21.08,-16.04,;21.85,-17.38,;23.39,-17.38,;24.16,-16.04,;23.39,-14.71,;24.16,-13.38,;25.7,-13.38,;21.85,-14.71,;20.85,-12.98,;21.48,-11.57,;20.33,-10.54,;19,-11.31,;19.32,-12.81,;18.29,-13.96,;18.76,-15.42,;17.73,-16.57,;16.23,-16.25,;15.2,-17.39,;15.75,-14.78,;16.78,-13.64,;20.49,-9.01,;21.9,-8.38,;19.25,-8.1,;19.41,-6.57,;20.9,-7,;21.99,-5.92,;21.62,-4.43,;20.13,-4,;19.04,-5.09,;17.87,-6.68,;17.01,-5.4,;17.2,-8.06,)|
BDBM50077992 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(O)=O |r|
BDBM50077994 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C)cc1)C(O)=O |r|
BDBM50077995 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(O)=O |r|
BDBM50077996 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r|
BDBM50077997 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM50077999 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50078000 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC1(CCc2ccccc12)C(O)=O |r|
BDBM50078001 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccccc1)C(O)=O |r|
BDBM50078002 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O |r|
BDBM50078003 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1csc2ccccc12)C(O)=O |r|
BDBM50078005 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C\C=C\c1ccccc1)C(O)=O |r|
BDBM50078006 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O |r|
BDBM50078007 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM50078008 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(O)=O |r|
BDBM50078011 CCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM50078012 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM50078014 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM50027847 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027848 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50078010 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)C(O)=O |r|
BDBM50027849 CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027851 CCCCCCCCCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027855 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
BDBM50027868 CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027892 CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027894 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027921 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
BDBM50027833 CCCCCCCCCCCCCCCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50027843 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027922 CCCCCCCCCCCCCCCCN[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50027852 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027853 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
BDBM50077993 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(O)=O |r|
BDBM50077998 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r|
BDBM50078004 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1c2ccccc2Cc2ccccc12)C(O)=O |r|
BDBM50078009 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(O)=O)c1ccccc1 |r|
BDBM50078013 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM50027850 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027854 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50027918 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
BDBM310222 CO[C@@H]1CCC[C@H](OC)[C@H]1n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1C1CCCO1 |r|
BDBM50172372 CSCCC(NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183379 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](C(O)=O)c1ccccc1 |r,wD:25.31,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.68,-8.73,;6.9,-6.61,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)|
BDBM50172368 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172369 CSCCC(NC(=O)C1CSSCC(N)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172382 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183335 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(O)=O |(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;5.89,-10.26,;4.36,-10.1,;3.74,-8.69,;2.21,-8.53,;1.7,-7.4,;1.48,-9.53,)|
BDBM50172370 CSCCC(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(C)C)C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC1CSSCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC1=O)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172371 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50172375 CSCCC(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183350 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;2.22,-11.21,;3.95,-12.47,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)|
BDBM50183368 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NCC1CCCCC1 |(4.75,-11.88,;4.33,-10.72,;2.82,-10.43,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)|
BDBM50172376 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50172377 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183337 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.67,-8.74,;6.91,-6.62,;3.74,-8.69,;2.51,-8.56,;4.23,-9.82,)|
BDBM50183339 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N1CC[C@@H](C1)C(O)=O |r,wD:27.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.51,-7.48,;3.26,-8.38,;2.01,-7.47,;2.5,-6.01,;.55,-7.94,;.28,-9.14,;-.36,-7.11,)|
BDBM50183341 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)|
BDBM50183358 COc1cccc(O)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(-1.19,-7.54,;.05,-7.58,;.77,-8.93,;-.04,-10.24,;.69,-11.6,;2.22,-11.65,;3.04,-10.34,;4.27,-10.38,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;4,-.78,;4.01,.45,;5.07,-1.4,)|
BDBM50183360 OC(=O)[C@@H](NC(=O)c1cc(-c2c(O)cccc2O)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wU:3.29,(4.01,.45,;4,-.78,;5.07,-1.4,;2.67,-1.54,;2.66,-3.08,;4,-3.86,;5.07,-3.24,;3.99,-5.4,;2.75,-6.28,;3.22,-7.74,;2.31,-8.99,;3.04,-10.34,;4.27,-10.38,;2.22,-11.65,;.69,-11.6,;-.04,-10.24,;.77,-8.93,;.19,-7.85,;4.76,-7.75,;5.24,-6.29,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)|
BDBM50183361 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NCC(O)=O |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;-.2,-10.9,;-.82,-12.31,;.08,-13.55,;1.62,-13.39,;2.24,-11.98,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.65,-7.59,;6.27,-6.18,;5.54,-5.19,;7.5,-6.05,)|
BDBM50172361 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172362 CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50172363 CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50172365 CSCCC(NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183343 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)|
BDBM50183344 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;8.02,-9.16,;6.07,-10.02,;3.74,-8.69,;4.36,-10.1,;5.58,-10.23,;3.63,-11.09,)|
BDBM50183346 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:25.28,(59.81,-27.67,;60.52,-26.3,;59.69,-25.01,;58.16,-25.08,;57.32,-23.77,;58.04,-22.41,;59.58,-22.34,;60.29,-20.98,;59.47,-19.68,;60.4,-23.65,;61.93,-23.58,;62.4,-25.04,;63.94,-25.04,;64.42,-23.58,;63.17,-22.67,;63.17,-21.13,;64.51,-20.36,;64.5,-18.82,;63.17,-18.05,;63.16,-16.53,;61.83,-18.83,;61.84,-20.37,;64.85,-26.29,;64.22,-27.7,;66.38,-26.13,;67.28,-27.38,;68.81,-27.22,;69.72,-28.47,;71.25,-28.31,;69.09,-29.87,;66.65,-28.79,;65.12,-28.95,;67.55,-30.04,)|
BDBM50183348 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.34,-13.75,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)|
BDBM50183353 Cc1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
BDBM50183357 OC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r|
BDBM50183362 COC(=O)CNC(=O)[C@@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wD:8.36,(8.3,-4.89,;7.8,-6.02,;6.27,-6.18,;5.54,-5.19,;5.65,-7.59,;4.11,-7.75,;3.49,-9.16,;4.21,-10.16,;1.96,-9.33,;1.05,-8.08,;1.68,-6.67,;2.9,-6.54,;.77,-5.43,;1.25,-3.96,;,-3.08,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.74,-.92,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;-1.24,-3.97,;-.77,-5.43,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.33,-10.73,;-.2,-10.9,;-.82,-12.31,;.08,-13.55,;1.62,-13.39,;2.24,-11.98,)|
BDBM50183363 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NO |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;2.23,-11.98,;1.6,-13.39,;.07,-13.55,;-.83,-12.3,;-.2,-10.89,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.34,-7.62,)|
BDBM50183365 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NCc1ccccc1 |r,wU:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;3.49,-9.17,;4.12,-7.76,;5.65,-7.6,;6.55,-8.85,;5.92,-10.25,;4.39,-10.41,;1.33,-10.73,;.1,-10.86,;2.23,-11.98,;1.61,-13.39,;2.51,-14.64,;1.89,-16.04,;2.8,-17.29,;4.33,-17.13,;4.95,-15.72,;4.04,-14.47,)|
BDBM50183366 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N(C)C |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;2.23,-11.98,;1.6,-13.39,;.07,-13.55,;-.83,-12.3,;-.2,-10.89,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.34,-7.62,;3.39,-6.76,)|
BDBM50183367 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r,wU:25.28,(8.13,.14,;6.93,-.15,;5.87,.96,;6.3,2.44,;5.24,3.56,;3.74,3.19,;3.31,1.71,;1.81,1.35,;.96,2.24,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;4.94,-4.79,;4.22,-5.79,;6.47,-4.95,;7.1,-6.36,;8.63,-6.52,;9.26,-7.92,;10.79,-8.08,;11.7,-6.83,;11.07,-5.43,;9.53,-5.27,;6.19,-7.6,;6.69,-8.73,;4.97,-7.47,)|
BDBM50183369 COC(=O)[C@@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wU:4.32,(6.41,-.94,;5.34,-1.55,;4,-.78,;4.01,.45,;2.67,-1.54,;2.66,-3.08,;4,-3.86,;5.07,-3.24,;3.99,-5.4,;2.75,-6.28,;3.22,-7.74,;2.31,-8.99,;2.82,-10.43,;4.33,-10.72,;4.75,-11.88,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;4.76,-7.75,;5.24,-6.29,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)|
BDBM50183372 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](C1CCCCC1)C(O)=O |r,wD:25.28,(4.75,-11.88,;4.33,-10.72,;2.82,-10.43,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;4,-.78,;4.01,.45,;5.07,-1.4,)|
BDBM50183373 COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](C2CCCCC2)C(O)=O)n(n1)-c1ccc(F)cc1 |r|
BDBM50183374 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)|
BDBM50183378 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;5.61,-12.91,;6.51,-11.67,;5.89,-10.26,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)|
BDBM50183380 CC1=CC(=O)C(=C\C1=N\OS(=O)(=O)c1ccccc1)C1CCCCC1 |c:5,t:1|
BDBM50172383 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50183340 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.34,wD:25.27,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;5.89,-10.26,;6.8,-9.02,;6.18,-7.61,;6.52,-11.67,;5.8,-12.66,;7.75,-11.8,)|
BDBM50183349 COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-14,;3.78,-15.41,;5.01,-15.54,;2.87,-16.65,;3.49,-18.06,;2.77,-19.05,;4.72,-18.19,;3.99,-19.19,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)|
BDBM50172378 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172385 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172386 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172387 CCCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172388 CSCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172389 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O
BDBM50172390 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM50172391 CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
BDBM269974 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)nc2OC)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.39,-9.74,;-8.79,-8.25,;-7.7,-7.16,;-8.1,-5.67,;-7.01,-4.58,;-5.53,-4.98,;-5.13,-6.47,;-6.22,-7.56,;-3.64,-6.87,;-3.16,-8.33,;-1.62,-8.33,;-1.15,-6.87,;.19,-6.1,;1.52,-6.87,;.75,-8.2,;2.29,-8.2,;2.85,-6.1,;2.85,-4.56,;4.19,-6.87,;4.19,-8.41,;5.52,-6.1,;5.52,-4.56,;6.85,-3.79,;8.19,-4.56,;9.52,-3.79,;8.19,-6.1,;6.85,-6.87,;6.85,-8.41,;8.19,-9.18,;-2.39,-5.96,;-2.39,-4.42,;-3.73,-3.65,;-5.06,-4.42,;-6.4,-3.65,;-3.73,-2.11,;-2.39,-1.34,;-1.06,-2.11,;-1.06,-3.65,;.27,-4.42,;1.61,-3.65,)|
BDBM269913 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)C2CCOCC2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.89,-8.11,;-7.41,-8.51,;-6.32,-7.42,;-6.71,-5.94,;-5.63,-4.85,;-4.14,-5.25,;-3.74,-6.73,;-4.83,-7.82,;-2.25,-7.13,;-1.78,-8.6,;-.24,-8.6,;.24,-7.13,;1.57,-6.36,;2.91,-7.13,;3.68,-8.47,;2.14,-8.47,;4.24,-6.36,;4.24,-4.82,;5.57,-7.13,;5.57,-8.67,;6.91,-6.36,;8.24,-7.13,;9.58,-6.36,;9.58,-4.82,;8.24,-4.05,;6.91,-4.82,;-1.01,-6.23,;-1.01,-4.69,;-2.34,-3.92,;-3.67,-4.69,;-5.01,-3.92,;-2.34,-2.38,;-1.01,-1.61,;.33,-2.38,;.33,-3.92,;1.66,-4.69,;2.99,-3.92,)|
BDBM269839 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-10.91,3.94,;-9.37,3.94,;-8.6,5.27,;-9.37,6.6,;-8.6,7.94,;-7.06,7.94,;-6.29,6.6,;-7.06,5.27,;-4.8,6.2,;-4.32,4.74,;-2.78,4.74,;-2.31,6.2,;-.97,6.97,;.36,6.2,;-.41,4.87,;1.13,4.87,;1.69,6.97,;1.69,8.51,;3.03,6.2,;3.03,4.66,;4.36,6.97,;5.69,6.2,;7.03,6.97,;7.03,8.51,;8.36,9.28,;5.69,9.28,;4.36,8.51,;-3.55,7.11,;-3.55,8.65,;-2.17,9.39,;-.84,8.62,;.49,9.39,;-2.22,10.96,;-3.55,11.73,;-4.89,10.96,;-4.89,9.42,;-6.22,8.65,;-7.56,9.42,)|
BDBM270154 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)C2CC(F)(F)C2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-20.27,-8.26,;-18.78,-8.66,;-17.69,-7.57,;-18.09,-6.09,;-17,-5,;-15.51,-5.4,;-15.12,-6.88,;-16.21,-7.97,;-13.63,-7.28,;-13.15,-8.75,;-11.61,-8.75,;-11.14,-7.28,;-9.8,-6.51,;-8.47,-7.28,;-9.24,-8.62,;-7.7,-8.62,;-7.14,-6.51,;-7.14,-4.97,;-5.8,-7.28,;-5.8,-8.82,;-4.47,-6.51,;-2.98,-6.91,;-2.58,-5.42,;-1.04,-5.42,;-1.81,-4.09,;-4.07,-5.02,;-12.38,-6.38,;-12.38,-4.84,;-11.05,-4.07,;-9.72,-4.84,;-8.38,-4.07,;-11.05,-2.53,;-12.38,-1.76,;-13.72,-2.53,;-13.72,-4.07,;-15.05,-4.84,;-16.38,-4.07,)|
BDBM269763 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ccc(F)cc2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-9.25,-20.18,;-8.85,-18.69,;-7.36,-18.3,;-6.96,-16.81,;-5.47,-16.41,;-4.39,-17.5,;-4.78,-18.99,;-6.27,-19.38,;-3.7,-20.08,;-3.7,-21.62,;-2.23,-22.09,;-1.33,-20.85,;.21,-20.85,;.98,-22.18,;1.75,-23.51,;-.35,-22.95,;2.32,-21.41,;2.32,-19.87,;3.65,-22.18,;3.65,-23.72,;4.99,-21.41,;6.32,-22.18,;7.65,-21.41,;7.65,-19.87,;8.99,-19.1,;6.32,-19.1,;4.99,-19.87,;-2.23,-19.6,;-1.47,-16.75,;-2.56,-15.66,;-4.04,-16.06,;-5.13,-14.97,;-2.16,-14.17,;-.67,-13.77,;.42,-14.86,;.02,-16.35,;1.11,-17.44,;2.6,-17.04,)|
BDBM269902 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)|
BDBM269561 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(cc1)N(C)C)c1ncc(C)cn1 |r|
BDBM269562 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1ccccc1 |r|
BDBM269563 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:4.4,3.2,(5.16,-4.69,;5.16,-3.15,;3.82,-2.38,;3.82,-.84,;2.49,-.07,;2.49,1.47,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;-.18,-.07,;-1.51,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,)|
BDBM269564 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM269565 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wD:3.3,2.1,(3.11,-2.99,;1.58,-2.83,;.67,-4.08,;-.86,-3.92,;-1.76,-5.16,;-1.48,-2.51,;-2.89,-3.14,;-.08,-1.89,;-2.11,-1.1,;-1.2,.14,;.34,.14,;.81,1.61,;-.43,2.51,;-.43,4.05,;-1.77,4.82,;-1.77,6.36,;-.43,7.13,;.9,6.36,;2.23,7.13,;.9,4.82,;-1.68,1.61,;-3.14,2.08,;-4.29,1.05,;-3.97,-.46,;-5.11,-1.49,;-5.75,1.53,;-6.07,3.03,;-4.93,4.06,;-3.47,3.59,;-2.32,4.62,;-2.64,6.12,;1.3,-5.49,;2.83,-5.65,;3.46,-7.05,;2.55,-8.3,;3.18,-9.71,;1.02,-8.14,;.4,-6.73,)|
BDBM269628 CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,(-11.2,3.24,;-10.43,1.91,;-8.89,1.91,;-8.12,.57,;-8.89,-.76,;-8.12,-2.1,;-6.58,-2.1,;-5.81,-.76,;-6.58,.57,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269629 CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269690 COc1cccc(n1)-c1nnc(NS(=O)(=O)CCc2ccc(F)cc2C#N)n1-c1c(OC)ncnc1OC |(-9.01,.02,;-7.67,-.75,;-6.34,.02,;-6.34,1.56,;-5.01,2.33,;-3.67,1.56,;-3.67,.02,;-5.01,-.75,;-2.34,-.75,;-2.34,-2.29,;-.88,-2.77,;.03,-1.52,;1.57,-1.52,;2.34,-2.85,;3.11,-4.19,;1.01,-3.62,;3.67,-2.08,;3.67,-.54,;5.01,.23,;5.01,1.77,;6.34,2.54,;7.67,1.77,;9.01,2.54,;7.67,.23,;6.38,-.65,;6.4,-2.19,;6.42,-3.73,;-.88,-.27,;-.48,1.21,;-1.57,2.3,;-3.05,1.9,;-4.14,2.99,;-1.17,3.79,;.32,4.19,;1.41,3.1,;1.01,1.61,;2.1,.52,;3.59,.92,)|
BDBM269693 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cccnc1 |r,wD:16.17,(.85,-3.58,;-.49,-4.35,;-1.82,-3.58,;-1.82,-2.04,;-3.16,-1.27,;-4.49,-2.04,;-4.49,-3.58,;-5.82,-4.35,;-7.16,-3.58,;-3.16,-4.35,;-3.16,-5.89,;-1.91,-6.79,;-.58,-6.02,;.76,-6.79,;-.01,-8.13,;1.53,-8.13,;2.09,-6.02,;2.09,-4.48,;3.43,-6.79,;4.76,-6.02,;6.09,-6.79,;7.43,-6.02,;7.43,-4.48,;8.76,-3.71,;6.09,-3.71,;4.76,-4.48,;-2.39,-8.26,;-3.93,-8.26,;-4.4,-6.79,;-5.94,-6.79,;-6.71,-5.46,;-8.25,-5.46,;-9.02,-6.79,;-8.25,-8.13,;-6.71,-8.13,)|
BDBM269754 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(F)cc1S(C)(=O)=O |r,wD:2.1,(2.77,-8.98,;4.1,-8.21,;4.1,-6.67,;2.77,-5.9,;1.44,-6.67,;.67,-8,;2.21,-8,;.1,-5.9,;-1.23,-6.67,;-1.71,-8.13,;-3.25,-8.13,;-3.72,-6.67,;-5.06,-5.9,;-5.45,-4.41,;-6.94,-4.01,;-8.03,-5.1,;-7.63,-6.59,;-8.73,-7.67,;-8.33,-9.16,;-6.15,-6.99,;-2.48,-5.76,;-2.48,-3.68,;-3.81,-2.91,;-5.14,-3.68,;-6.48,-2.91,;-3.81,-1.37,;-2.48,-.6,;-1.14,-1.37,;-1.14,-2.91,;.19,-3.68,;1.52,-2.91,;5.44,-5.9,;5.44,-4.36,;6.77,-3.59,;8.1,-4.36,;9.44,-3.59,;8.1,-5.9,;6.77,-6.67,;6.77,-8.21,;5.44,-8.98,;8.1,-8.98,;8.1,-7.44,)|
BDBM269755 CO[C@H](CS(=O)(=O)N(CC[Si](C)(C)C)c1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(F)cc1Br |r,wD:2.1,(2.9,-11.43,;4.23,-10.66,;4.23,-9.12,;2.9,-8.35,;1.56,-9.12,;.79,-10.45,;2.33,-10.45,;.23,-8.35,;.63,-6.86,;2.12,-6.46,;2.51,-4.97,;4,-4.57,;1.43,-3.88,;2.91,-3.48,;-1.1,-9.12,;-1.58,-10.58,;-3.12,-10.58,;-3.6,-9.12,;-4.93,-8.35,;-5.33,-6.86,;-6.81,-6.46,;-7.9,-7.54,;-7.51,-9.03,;-8.6,-10.12,;-8.2,-11.61,;-6.02,-9.43,;-2.35,-8.21,;-2.35,-3.78,;-3.68,-3.01,;-5.02,-3.78,;-6.35,-3.01,;-3.68,-1.47,;-2.35,-.7,;-1.02,-1.47,;-1.02,-3.01,;.32,-3.78,;1.65,-3.01,;5.56,-8.35,;5.56,-6.81,;6.9,-6.04,;8.23,-6.81,;9.57,-6.04,;8.23,-8.35,;6.9,-9.12,;6.9,-10.66,)|
BDBM269813 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@H](O)c2cc(C)on2)n1-c1c(OC)cccc1OC |r,wU:17.18,(-7.3,-15.16,;-7.7,-13.68,;-6.61,-12.59,;-7.01,-11.1,;-5.92,-10.01,;-4.43,-10.41,;-4.03,-11.9,;-5.12,-12.99,;-2.7,-12.67,;-2.22,-14.13,;-.68,-14.13,;-.21,-12.67,;1.13,-11.9,;2.46,-12.67,;1.37,-13.76,;3.55,-13.76,;3.55,-11.58,;5.04,-11.98,;5.43,-13.46,;6.12,-10.89,;6.12,-9.35,;7.59,-8.87,;8.36,-7.54,;8.49,-10.12,;7.59,-11.36,;-1.45,-11.76,;-1.45,-9.86,;-2.79,-9.09,;-4.12,-9.86,;-5.45,-9.09,;-2.79,-7.55,;-1.45,-6.78,;-.12,-7.55,;-.12,-9.09,;1.21,-9.86,;2.55,-9.09,)|
BDBM269816 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-7.61,-14.86,;-8.01,-13.38,;-6.92,-12.29,;-7.32,-10.8,;-6.23,-9.71,;-4.74,-10.11,;-4.34,-11.6,;-5.43,-12.69,;-3.01,-12.37,;-2.53,-13.83,;-.99,-13.83,;-.52,-12.37,;.82,-11.6,;2.15,-12.37,;1.06,-13.46,;3.24,-13.46,;3.24,-11.28,;4.73,-11.68,;5.13,-13.16,;5.82,-10.59,;7.3,-10.99,;8.39,-9.9,;7.99,-8.41,;9.08,-7.32,;6.51,-8.01,;5.42,-9.1,;-1.76,-11.46,;-1.76,-9.56,;-3.1,-8.79,;-4.43,-9.56,;-5.76,-8.79,;-3.1,-7.25,;-1.76,-6.48,;-.43,-7.25,;-.43,-8.79,;.91,-9.56,;2.24,-8.79,)|
BDBM269911 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@@H](C)[C@@H](O)C2CCOCC2)n1-c1c(OC)cccc1OC |r,wU:24.25,wD:22.23,(-8.79,-21.99,;-7.3,-22.39,;-6.21,-21.3,;-6.61,-19.81,;-5.52,-18.72,;-4.03,-19.12,;-3.63,-20.61,;-4.72,-21.7,;-2.15,-21.01,;-1.67,-22.47,;-.13,-22.47,;.35,-21.01,;1.68,-20.24,;1.68,-18.7,;3.01,-17.93,;3.01,-15.3,;1.68,-14.53,;4.63,-14.53,;3.01,-13.77,;3.01,-21.01,;2.24,-22.34,;3.78,-19.67,;4.35,-21.78,;4.35,-23.32,;5.68,-21.01,;5.68,-19.47,;7.01,-21.78,;7.01,-23.32,;8.35,-24.09,;9.68,-23.32,;9.68,-21.78,;8.35,-21.01,;-.9,-20.1,;-1.62,-17.75,;-3.11,-17.35,;-4.2,-18.44,;-5.69,-18.04,;-3.51,-15.86,;-2.42,-14.77,;-.93,-15.17,;-.53,-16.66,;.95,-17.06,;2.04,-15.97,)|
BDBM269912 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C2CCOCC2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.93,-8.38,;-7.44,-8.78,;-6.35,-7.69,;-6.75,-6.2,;-5.66,-5.11,;-4.17,-5.51,;-3.78,-7,;-4.86,-8.09,;-2.29,-7.4,;-1.81,-8.86,;-.27,-8.86,;.2,-7.4,;1.54,-6.63,;2.87,-7.4,;2.1,-8.73,;3.64,-8.73,;4.2,-6.63,;4.2,-5.09,;5.54,-7.4,;5.54,-8.94,;6.87,-6.63,;8.21,-7.4,;9.54,-6.63,;9.54,-5.09,;8.21,-4.32,;6.87,-5.09,;-1.04,-6.49,;-1.04,-4.95,;-2.38,-4.18,;-3.71,-4.95,;-5.04,-4.18,;-2.38,-2.64,;-1.04,-1.87,;.29,-2.64,;.29,-4.18,;1.63,-4.95,;2.96,-4.18,)|
BDBM269914 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C2CCOCC2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.92,-8.96,;-7.43,-9.36,;-6.34,-8.27,;-6.74,-6.78,;-5.65,-5.69,;-4.16,-6.09,;-3.76,-7.58,;-4.85,-8.67,;-2.27,-7.98,;-1.8,-9.44,;-.26,-9.44,;.22,-7.98,;1.55,-7.21,;2.88,-7.98,;2.11,-9.31,;3.65,-9.31,;4.22,-7.21,;4.22,-5.67,;5.55,-7.98,;5.55,-9.52,;6.89,-7.21,;8.22,-7.98,;9.55,-7.21,;9.55,-5.67,;8.22,-4.9,;6.89,-5.67,;-1.03,-7.07,;-1.03,-5.53,;-2.36,-4.76,;-3.7,-5.53,;-5.03,-4.76,;-2.36,-3.22,;-1.03,-2.45,;.3,-3.22,;.3,-4.76,;1.64,-5.53,;2.97,-4.76,)|
BDBM269960 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2cnc(C)nc2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-8.82,-20.91,;-9.22,-19.43,;-8.13,-18.34,;-8.53,-16.85,;-7.44,-15.76,;-5.96,-16.16,;-5.56,-17.65,;-6.65,-18.74,;-4.07,-18.05,;-3.59,-19.51,;-2.05,-19.51,;-1.58,-18.05,;-.24,-17.28,;1.09,-18.05,;.32,-19.38,;1.86,-19.38,;2.42,-17.28,;2.42,-15.74,;3.76,-18.05,;3.76,-19.59,;5.09,-17.28,;6.42,-18.05,;7.76,-17.28,;7.76,-15.74,;9.09,-14.97,;6.42,-14.97,;5.09,-15.74,;-2.82,-17.14,;-2.82,-15.6,;-4.16,-14.83,;-5.49,-15.6,;-6.82,-14.83,;-4.16,-13.29,;-2.82,-12.52,;-1.49,-13.29,;-1.49,-14.83,;-.16,-15.6,;1.18,-14.83,)|
BDBM270153 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)C2CC(F)(F)C2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-10.52,-7.61,;-9.03,-8.01,;-7.94,-6.92,;-8.34,-5.44,;-7.25,-4.35,;-5.77,-4.75,;-5.37,-6.23,;-6.46,-7.32,;-3.88,-6.63,;-3.4,-8.1,;-1.86,-8.1,;-1.39,-6.63,;-.05,-5.86,;1.28,-6.63,;.51,-7.97,;2.05,-7.97,;2.61,-5.86,;2.61,-4.32,;3.95,-6.63,;3.95,-8.17,;5.28,-5.86,;6.77,-6.26,;7.17,-4.77,;8.5,-4,;8.39,-5.71,;5.68,-4.37,;-2.63,-5.73,;-2.63,-4.16,;-3.97,-3.39,;-5.3,-4.16,;-6.63,-3.39,;-3.97,-1.85,;-2.63,-1.08,;-1.3,-1.85,;-1.3,-3.39,;.03,-4.16,;1.37,-3.39,)|
BDBM270156 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)C1CC(F)(F)C1 |r,wU:3.3,2.1,(-7.14,-9.59,;-5.8,-8.82,;-5.8,-7.28,;-7.14,-6.51,;-7.14,-4.97,;-8.47,-7.28,;-9.24,-8.62,;-7.7,-8.62,;-9.8,-6.51,;-11.14,-7.28,;-11.61,-8.75,;-13.15,-8.75,;-13.63,-7.28,;-15.12,-6.88,;-15.51,-5.4,;-17,-5,;-18.09,-6.09,;-17.69,-7.57,;-18.78,-8.66,;-16.21,-7.97,;-12.38,-6.38,;-12.38,-4.84,;-11.05,-4.07,;-9.72,-4.84,;-8.38,-4.07,;-11.05,-2.53,;-12.38,-1.76,;-13.72,-2.53,;-13.72,-4.07,;-15.05,-4.84,;-16.38,-4.07,;-4.47,-6.51,;-2.98,-6.91,;-2.58,-5.42,;-1.04,-5.42,;-1.81,-4.09,;-4.07,-5.02,)|
BDBM269566 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(4.81,-3.92,;3.48,-3.15,;3.48,-1.61,;2.14,-.84,;2.14,.7,;.81,-1.61,;.04,-2.94,;1.58,-2.94,;-.52,-.84,;-1.86,-1.61,;-2.33,-3.07,;-3.87,-3.07,;-4.35,-1.61,;-5.84,-1.21,;-6.93,-2.3,;-8.41,-1.9,;-8.81,-.41,;-7.72,.68,;-6.24,.28,;-3.1,-.7,;-3.1,.84,;-4.44,1.61,;-5.77,.84,;-7.1,1.61,;-4.44,3.15,;-3.1,3.92,;-1.77,3.15,;-1.77,1.61,;-.44,.84,;.9,1.61,;4.81,-.84,;6.14,-1.61,;7.48,-.84,;7.48,.7,;8.81,1.47,;6.14,1.47,;4.81,.7,)|
BDBM269567 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wD:3.3,2.1,(3.42,-2.85,;1.89,-2.69,;.98,-3.93,;-.55,-3.77,;-1.46,-5.02,;-1.18,-2.36,;-2.58,-2.99,;.23,-1.74,;-1.8,-.96,;-.9,.29,;.64,.29,;1.12,1.75,;-.13,2.66,;-.13,4.2,;1.21,4.97,;1.21,6.51,;-.13,7.28,;-1.46,6.51,;-1.46,4.97,;-1.37,1.75,;-2.84,2.23,;-3.98,1.2,;-3.66,-.31,;-4.81,-1.34,;-5.45,1.67,;-5.77,3.18,;-4.62,4.21,;-3.16,3.74,;-2.01,4.77,;-2.33,6.27,;1.61,-5.34,;3.14,-5.5,;3.77,-6.91,;2.86,-8.15,;3.49,-9.56,;1.33,-7.99,;.7,-6.59,)|
BDBM269568 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(-7.1,1.22,;-5.77,.45,;-4.44,1.22,;-4.44,2.76,;-3.1,3.53,;-1.77,2.76,;-1.77,1.22,;-.44,.45,;.9,1.22,;-3.1,.45,;-3.1,-1.09,;-1.86,-1.99,;-.52,-1.22,;.81,-1.99,;.04,-3.33,;1.58,-3.33,;2.14,-1.22,;2.14,.32,;3.48,-1.99,;3.48,-3.53,;4.81,-1.22,;6.14,-1.99,;7.48,-1.22,;7.48,.32,;8.81,1.09,;6.14,1.09,;4.81,.32,;-2.33,-3.46,;-3.87,-3.46,;-4.35,-1.99,;-5.84,-1.59,;-6.24,-.11,;-7.72,.29,;-8.81,-.8,;-8.41,-2.28,;-6.93,-2.68,)|
BDBM269569 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)C(=O)N2CCCC2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-9.13,-2.31,;-7.64,-2.71,;-6.56,-1.62,;-6.95,-.13,;-5.87,.96,;-4.38,.56,;-3.98,-.93,;-5.07,-2.02,;-2.49,-1.33,;-2.02,-2.79,;-.48,-2.79,;,-1.33,;1.49,-.93,;2.58,-2.02,;1.49,-3.11,;2.98,-3.51,;4.06,-1.62,;4.46,-.13,;5.15,-2.71,;4.75,-4.2,;6.64,-2.31,;7.12,-.85,;8.66,-.85,;9.13,-2.31,;7.89,-3.22,;-1.25,-.42,;-1.25,1.12,;-2.58,1.89,;-3.91,1.12,;-5.25,1.89,;-2.58,3.43,;-1.25,4.2,;.09,3.43,;.09,1.89,;1.42,1.12,;2.76,1.89,)|
BDBM269630 COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269631 COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269632 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cc(Br)ccn1 |r,wU:16.17,(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,2.57,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,)|
BDBM269697 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccnc1C |r,wU:16.17,(-7.03,6.96,;-5.69,6.19,;-4.36,6.96,;-4.36,8.5,;-3.02,9.27,;-1.69,8.5,;-1.69,6.96,;-.36,6.19,;.98,6.96,;-3.02,6.19,;-3.02,4.65,;-1.78,3.74,;-.45,4.51,;.89,3.74,;.12,2.41,;1.66,2.41,;2.22,4.51,;2.22,6.05,;3.56,3.74,;4.89,4.51,;6.22,3.74,;7.56,4.51,;7.56,6.05,;8.89,6.82,;6.22,6.82,;4.89,6.05,;-2.25,2.28,;-3.79,2.28,;-4.27,3.74,;-5.81,3.74,;-6.58,5.08,;-8.12,5.08,;-8.89,3.74,;-8.12,2.41,;-6.58,2.41,;-5.81,1.08,)|
BDBM269758 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)c2ccc(F)cc2F)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.3,-18.97,;-8.7,-17.48,;-7.61,-16.39,;-8.01,-14.9,;-6.92,-13.81,;-5.43,-14.21,;-5.03,-15.7,;-6.12,-16.79,;-3.55,-16.1,;-3.07,-17.56,;-1.53,-17.56,;-1.05,-16.1,;.28,-15.33,;1.61,-16.1,;.84,-17.43,;2.38,-17.43,;2.95,-15.33,;2.95,-13.79,;4.28,-16.1,;4.28,-17.64,;5.61,-15.33,;5.61,-13.79,;6.95,-13.02,;8.28,-13.79,;9.62,-13.02,;8.28,-15.33,;6.95,-16.1,;6.95,-17.64,;-2.3,-15.19,;-2.3,-13.65,;-3.63,-12.88,;-4.97,-13.65,;-6.3,-12.88,;-3.63,-11.34,;-2.3,-10.57,;-.97,-11.34,;-.97,-12.88,;.37,-13.65,;1.7,-12.88,)|
BDBM269759 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(F)cc2F)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-8.3,-18.97,;-8.7,-17.48,;-7.61,-16.39,;-8.01,-14.9,;-6.92,-13.81,;-5.43,-14.21,;-5.03,-15.7,;-6.12,-16.79,;-3.55,-16.1,;-3.07,-17.56,;-1.53,-17.56,;-1.05,-16.1,;.28,-15.33,;1.61,-16.1,;.84,-17.43,;2.38,-17.43,;2.95,-15.33,;2.95,-13.79,;4.28,-16.1,;4.28,-17.64,;5.61,-15.33,;5.61,-13.79,;6.95,-13.02,;8.28,-13.79,;9.62,-13.02,;8.28,-15.33,;6.95,-16.1,;6.95,-17.64,;-2.3,-15.19,;-2.3,-13.65,;-3.63,-12.88,;-4.97,-13.65,;-6.3,-12.88,;-3.63,-11.34,;-2.3,-10.57,;-.97,-11.34,;-.97,-12.88,;.37,-13.65,;1.7,-12.88,)|
BDBM269856 COc1cccc(OC)c1-n1c(nnc1-c1cncc(C)c1)N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)C1(C)COC1 |r,wD:33.36,(-4.7,-2.82,;-3.61,-3.91,;-2.12,-3.51,;-1.72,-2.03,;-.23,-1.63,;.85,-2.72,;.46,-4.2,;1.54,-5.29,;3.03,-4.9,;-1.03,-4.6,;-1.43,-6.09,;-.53,-7.34,;-1.43,-8.58,;-2.89,-8.11,;-2.89,-6.57,;-4.23,-5.8,;-5.56,-6.57,;-6.9,-5.8,;-6.9,-4.26,;-5.56,-3.49,;-5.56,-1.95,;-4.23,-4.26,;1.01,-7.34,;1.78,-6,;3.32,-6,;4.09,-4.67,;5.63,-4.67,;4.09,-3.13,;4.86,-6,;1.78,-8.67,;2.55,-10,;.45,-9.44,;3.12,-7.9,;4.45,-8.67,;4.45,-10.21,;5.79,-7.9,;4.7,-6.81,;6.87,-8.99,;7.96,-7.9,;6.87,-6.81,)|
BDBM269963 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1cnc(C)nc1 |r,wU:3.3,wD:2.1,(5.09,-20.36,;3.76,-19.59,;3.76,-18.05,;2.42,-17.28,;2.42,-15.74,;1.09,-18.05,;.32,-19.38,;1.86,-19.38,;-.24,-17.28,;-1.58,-18.05,;-2.05,-19.51,;-3.59,-19.51,;-4.07,-18.05,;-5.56,-17.65,;-5.96,-16.16,;-7.44,-15.76,;-8.53,-16.85,;-8.13,-18.34,;-9.22,-19.43,;-8.82,-20.91,;-6.65,-18.74,;-2.82,-17.14,;-2.82,-15.6,;-4.16,-14.83,;-5.49,-15.6,;-6.82,-14.83,;-4.16,-13.29,;-2.82,-12.52,;-1.49,-13.29,;-1.49,-14.83,;-.16,-15.6,;1.18,-14.83,;5.09,-17.28,;6.42,-18.05,;7.76,-17.28,;7.76,-15.74,;9.09,-14.97,;6.42,-14.97,;5.09,-15.74,)|
BDBM270026 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(5.26,-9.87,;6.03,-8.53,;5.26,-7.2,;3.72,-7.2,;2.95,-5.87,;2.95,-8.53,;2.18,-9.87,;4.28,-9.3,;1.62,-7.76,;.28,-8.53,;.28,-10.07,;-1.18,-10.55,;-2.09,-9.3,;-3.57,-8.91,;-4.66,-9.99,;-6.15,-9.6,;-6.55,-8.11,;-5.46,-7.02,;-3.97,-7.42,;-1.18,-8.06,;-2.01,-5.61,;-3.5,-5.22,;-4.59,-6.3,;-6.08,-5.91,;-3.9,-3.73,;-2.81,-2.64,;-1.32,-3.04,;-.92,-4.53,;.56,-4.92,;1.65,-3.84,;6.03,-5.87,;7.57,-5.87,;8.34,-4.53,;7.57,-3.2,;8.34,-1.87,;6.03,-3.2,;5.26,-4.53,)|
BDBM270027 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-8.5,-21.53,;-7.01,-21.93,;-5.92,-20.84,;-6.32,-19.36,;-5.23,-18.27,;-3.74,-18.67,;-3.35,-20.15,;-4.43,-21.24,;-1.86,-20.55,;-.95,-21.8,;.51,-21.32,;.51,-19.78,;1.85,-19.01,;3.18,-19.78,;2.41,-21.12,;4.51,-20.55,;3.95,-18.45,;3.18,-17.11,;5.49,-18.45,;6.26,-19.78,;6.26,-17.11,;7.8,-17.11,;8.57,-15.78,;7.8,-14.45,;8.57,-13.11,;6.26,-14.45,;5.49,-15.78,;-.95,-19.31,;-1.78,-16.86,;-3.27,-16.46,;-4.36,-17.55,;-5.85,-17.15,;-3.67,-14.98,;-2.58,-13.89,;-1.09,-14.29,;-.7,-15.77,;.79,-16.17,;1.88,-15.08,)|
BDBM270028 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(-6.97,.3,;-5.49,-.1,;-4.4,.99,;-4.79,2.48,;-3.71,3.57,;-2.22,3.17,;-1.82,1.68,;-.33,1.28,;.76,2.37,;-2.91,.59,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;1.28,-3.66,;3.39,-3.1,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-5.56,-3.79,;-7.05,-3.39,;-7.44,-1.9,;-6.36,-.81,;-4.87,-1.21,)|
BDBM270029 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(-6.97,.3,;-5.49,-.1,;-4.4,.99,;-4.79,2.48,;-3.71,3.57,;-2.22,3.17,;-1.82,1.68,;-.33,1.28,;.76,2.37,;-2.91,.59,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;1.28,-3.66,;3.39,-3.1,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-5.56,-3.79,;-7.05,-3.39,;-7.44,-1.9,;-6.36,-.81,;-4.87,-1.21,)|
BDBM270158 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)C1CC(C)(C)C1 |r,wU:3.3,2.1,(-4.52,.88,;-5.86,1.65,;-5.86,3.19,;-7.19,3.96,;-7.19,5.5,;-8.52,3.19,;-9.29,1.86,;-7.75,1.86,;-9.86,3.96,;-11.19,3.19,;-11.67,1.73,;-13.21,1.73,;-13.68,3.19,;-15.17,3.59,;-16.26,2.5,;-17.75,2.9,;-18.15,4.39,;-17.06,5.48,;-17.46,6.97,;-15.57,5.08,;-12.44,4.1,;-12.44,5.64,;-11.1,6.41,;-9.77,5.64,;-8.44,6.41,;-11.1,7.95,;-12.44,8.72,;-13.77,7.95,;-13.77,6.41,;-15.1,5.64,;-16.44,6.41,;-4.52,3.96,;-3.04,3.57,;-2.64,5.05,;-1.1,5.05,;-1.87,6.39,;-4.12,5.45,)|
BDBM270160 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:17.18,(-8.44,6.41,;-9.77,5.64,;-11.1,6.41,;-11.1,7.95,;-12.44,8.72,;-13.77,7.95,;-13.77,6.41,;-15.1,5.64,;-16.44,6.41,;-12.44,5.64,;-12.44,4.1,;-11.19,3.19,;-9.86,3.96,;-8.52,3.19,;-9.29,1.86,;-7.75,1.86,;-7.19,3.96,;-5.86,3.19,;-5.86,1.65,;-4.52,3.96,;-3.19,3.19,;-1.86,3.96,;-1.85,5.5,;-.52,6.27,;-3.19,6.27,;-4.52,5.5,;-11.67,1.73,;-13.21,1.73,;-13.68,3.19,;-15.17,3.59,;-16.26,2.5,;-17.75,2.9,;-18.15,4.39,;-17.06,5.48,;-17.46,6.97,;-15.57,5.08,)|
BDBM269570 COc1cc(ccn1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-9.9,-2.97,;-8.41,-3.37,;-7.32,-2.28,;-5.84,-2.68,;-4.75,-1.59,;-5.15,-.11,;-6.63,.29,;-7.72,-.8,;-3.26,-1.99,;-2.78,-3.46,;-1.24,-3.46,;-.77,-1.99,;.57,-1.22,;1.9,-1.99,;1.13,-3.33,;2.67,-3.33,;3.23,-1.22,;3.23,.32,;4.57,-1.99,;4.57,-3.53,;5.9,-1.22,;7.23,-1.99,;8.57,-1.22,;8.57,.32,;9.9,1.09,;7.23,1.09,;5.9,.32,;-2.01,-1.09,;-2.01,.45,;-3.35,1.22,;-4.68,.45,;-6.02,1.22,;-3.35,2.76,;-2.01,3.53,;-.68,2.76,;-.68,1.22,;.65,.45,;1.99,1.22,)|
BDBM269571 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269572 COc1cncc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-9.9,-2.97,;-8.41,-3.37,;-7.32,-2.28,;-7.72,-.8,;-6.63,.29,;-5.15,-.11,;-4.75,-1.59,;-5.84,-2.68,;-3.26,-1.99,;-2.78,-3.46,;-1.24,-3.46,;-.77,-1.99,;.57,-1.22,;1.9,-1.99,;1.13,-3.33,;2.67,-3.33,;3.23,-1.22,;3.23,.32,;4.57,-1.99,;4.57,-3.53,;5.9,-1.22,;7.23,-1.99,;8.57,-1.22,;8.57,.32,;9.9,1.09,;7.23,1.09,;5.9,.32,;-2.01,-1.09,;-2.01,.45,;-3.35,1.22,;-4.68,.45,;-6.02,1.22,;-3.35,2.76,;-2.01,3.53,;-.68,2.76,;-.68,1.22,;.65,.45,;1.99,1.22,)|
BDBM269573 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cccc(C)n1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269637 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C#N |r,wD:16.17,(1.36,2.45,;.03,1.68,;-1.31,2.45,;-1.31,3.99,;-2.64,4.76,;-3.97,3.99,;-3.97,2.45,;-5.31,1.68,;-6.64,2.45,;-2.64,1.68,;-2.64,.14,;-1.39,-.76,;-.06,.01,;1.27,-.76,;.5,-2.1,;2.04,-2.1,;2.61,.01,;2.61,1.55,;3.94,-.76,;5.27,.01,;6.61,-.76,;7.94,.01,;7.94,1.55,;9.28,2.32,;6.61,2.32,;5.27,1.55,;-1.87,-2.23,;-3.41,-2.23,;-3.89,-.76,;-5.43,-.76,;-6.2,.57,;-7.74,.57,;-8.51,-.76,;-7.75,-2.19,;-6.2,-2.1,;-8.5,-3.54,;-9.25,-4.88,)|
BDBM269698 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccnc1C |r,wU:16.17,(-7.03,6.92,;-5.69,6.15,;-4.36,6.92,;-4.36,8.46,;-3.02,9.23,;-1.69,8.46,;-1.69,6.92,;-.36,6.15,;.98,6.92,;-3.02,6.15,;-3.02,4.61,;-1.78,3.7,;-.45,4.47,;.89,3.7,;.12,2.37,;1.66,2.37,;2.22,4.47,;2.22,6.01,;3.56,3.7,;4.89,4.47,;6.22,3.7,;7.56,4.47,;7.56,6.01,;8.89,6.78,;6.22,6.78,;4.89,6.01,;-2.25,2.24,;-3.79,2.24,;-4.27,3.7,;-5.81,3.7,;-6.58,5.04,;-8.12,5.04,;-8.89,3.7,;-8.12,2.37,;-6.58,2.37,;-5.81,1.04,)|
BDBM269699 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1ccc(C)nc1 |r,wU:16.17,(-6.26,5.9,;-4.92,5.13,;-3.59,5.9,;-3.59,7.44,;-2.25,8.21,;-.92,7.44,;-.92,5.9,;.41,5.13,;1.75,5.9,;-2.25,5.13,;-2.25,3.59,;-1.01,2.69,;.32,3.46,;1.66,2.69,;.89,1.35,;2.43,1.35,;2.99,3.46,;2.99,5,;4.33,2.69,;5.66,3.46,;6.99,2.69,;8.33,3.46,;8.33,5,;9.66,5.77,;6.99,5.77,;5.66,5,;-1.48,1.22,;-3.02,1.22,;-3.5,2.69,;-5.04,2.69,;-5.81,4.02,;-7.35,4.02,;-8.12,2.69,;-9.66,2.69,;-7.35,1.35,;-5.81,1.35,)|
BDBM269700 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1ccc(C)nc1 |r,wU:16.17,(-6.26,5.7,;-4.92,4.93,;-3.59,5.7,;-3.59,7.24,;-2.25,8.01,;-.92,7.24,;-.92,5.7,;.41,4.93,;1.75,5.7,;-2.25,4.93,;-2.25,3.39,;-1.01,2.49,;.32,3.26,;1.66,2.49,;.89,1.15,;2.43,1.15,;2.99,3.26,;2.99,4.8,;4.33,2.49,;5.66,3.26,;6.99,2.49,;8.33,3.26,;8.33,4.8,;9.66,5.57,;6.99,5.57,;5.66,4.8,;-1.48,1.02,;-3.02,1.02,;-3.5,2.49,;-5.04,2.49,;-5.81,3.82,;-7.35,3.82,;-8.12,2.49,;-9.66,2.49,;-7.35,1.15,;-5.81,1.15,)|
BDBM269701 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cnccc1C |r,wU:16.17,(-7.03,6.86,;-5.69,6.09,;-4.36,6.86,;-4.36,8.4,;-3.02,9.17,;-1.69,8.4,;-1.69,6.86,;-.36,6.09,;.98,6.86,;-3.02,6.09,;-3.02,4.55,;-1.78,3.65,;-.45,4.42,;.89,3.65,;.12,2.32,;1.66,2.32,;2.22,4.42,;2.22,5.96,;3.56,3.65,;4.89,4.42,;6.22,3.65,;7.56,4.42,;7.56,5.96,;8.89,6.73,;6.22,6.73,;4.89,5.96,;-2.25,2.19,;-3.79,2.19,;-4.27,3.65,;-5.81,3.65,;-6.58,4.98,;-8.12,4.98,;-8.89,3.65,;-8.12,2.32,;-6.58,2.32,;-5.81,.98,)|
BDBM269857 COc1cccc(OC)c1-n1c(nnc1-c1cncc(C)c1)N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)C1CCC1 |r,wD:33.36,(-5.29,-3.78,;-3.96,-4.55,;-2.63,-3.78,;-2.63,-2.24,;-1.29,-1.47,;.04,-2.24,;.04,-3.78,;1.37,-4.55,;2.71,-3.78,;-1.29,-4.55,;-1.29,-6.09,;-.05,-6.99,;-.52,-8.46,;-2.06,-8.46,;-2.54,-6.99,;-4.03,-6.59,;-5.12,-7.68,;-6.6,-7.28,;-7,-5.8,;-5.91,-4.71,;-6.31,-3.22,;-4.43,-5.11,;1.29,-6.22,;2.06,-4.89,;3.6,-4.89,;4.37,-3.55,;5.91,-3.55,;4.37,-2.01,;5.46,-4.64,;2.62,-6.99,;1.85,-8.33,;3.39,-8.33,;3.95,-6.22,;5.29,-6.99,;5.29,-8.53,;6.62,-6.22,;8.11,-6.62,;8.51,-5.13,;7.02,-4.73,)|
BDBM269858 C[C@@H](O)[C@H](O)c1ncc(C)cn1 |r|
BDBM269968 COc1cccc(OC)c1-n1c(NS(=O)(=O)C(\C)=C(/C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269969 COc1cccc(n1)-c1nnc(NS(=O)(=O)C(\C)=C(/C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |(-8.76,-4.2,;-9.16,-2.71,;-8.07,-1.62,;-8.47,-.13,;-7.38,.96,;-5.89,.56,;-5.49,-.93,;-6.58,-2.02,;-4,-1.33,;-3.53,-2.79,;-1.99,-2.79,;-1.51,-1.33,;-.18,-.56,;1.15,-1.33,;.38,-2.66,;1.92,-2.66,;2.49,-.56,;2.49,.98,;3.82,-1.33,;3.82,-2.87,;5.16,-.56,;6.49,-1.33,;7.82,-.56,;7.82,.98,;9.16,1.75,;6.49,1.75,;5.16,.98,;-2.76,-.42,;-2.76,1.12,;-4.09,1.89,;-5.43,1.12,;-6.76,1.89,;-4.09,3.43,;-2.76,4.2,;-1.42,3.43,;-1.42,1.89,;-.09,1.12,;1.24,1.89,)|
BDBM270032 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(-2.61,-5.95,;-1.7,-4.71,;-.17,-4.87,;.74,-3.62,;2.27,-3.78,;.11,-2.21,;-1.3,-2.84,;1.52,-1.59,;-.52,-.81,;.39,.44,;1.93,.44,;2.4,1.9,;1.16,2.81,;1.16,4.35,;2.49,5.12,;2.49,6.66,;1.16,7.43,;-.18,6.66,;-.18,5.12,;-.09,1.9,;-1.55,2.38,;-1.87,3.89,;-.73,4.92,;-1.05,6.42,;-3.34,4.36,;-4.48,3.33,;-4.16,1.83,;-2.7,1.35,;-2.38,-.16,;-3.52,-1.19,;.46,-6.27,;1.99,-6.43,;2.61,-7.84,;1.71,-9.09,;2.34,-10.49,;.18,-8.93,;-.45,-7.52,)|
BDBM270033 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wD:3.3,2.1,(-2.61,-5.95,;-1.7,-4.71,;-.17,-4.87,;.74,-3.62,;2.27,-3.78,;.11,-2.21,;-1.3,-2.84,;1.52,-1.59,;-.52,-.81,;.39,.44,;1.93,.44,;2.4,1.9,;1.16,2.81,;1.16,4.35,;2.49,5.12,;2.49,6.66,;1.16,7.43,;-.18,6.66,;-.18,5.12,;-.09,1.9,;-1.55,2.38,;-1.87,3.89,;-.73,4.92,;-1.05,6.42,;-3.34,4.36,;-4.48,3.33,;-4.16,1.83,;-2.7,1.35,;-2.38,-.16,;-3.52,-1.19,;.46,-6.27,;1.99,-6.43,;2.61,-7.84,;1.71,-9.09,;2.34,-10.49,;.18,-8.93,;-.45,-7.52,)|
BDBM270161 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@@H](O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:17.18,(.86,-3.29,;-.47,-4.06,;-1.81,-3.29,;-1.81,-1.75,;-3.14,-.98,;-4.48,-1.75,;-4.48,-3.29,;-5.81,-4.06,;-7.14,-3.29,;-3.14,-4.06,;-3.14,-5.6,;-1.9,-6.5,;-.56,-5.73,;.77,-6.5,;0,-7.84,;1.54,-7.84,;2.11,-5.73,;3.44,-6.5,;3.44,-8.04,;4.77,-5.73,;6.11,-6.5,;7.44,-5.73,;7.44,-4.19,;8.77,-3.42,;6.11,-3.42,;4.77,-4.19,;-2.37,-7.97,;-3.91,-7.97,;-4.39,-6.5,;-5.87,-6.11,;-6.96,-7.19,;-8.45,-6.8,;-8.85,-5.31,;-7.76,-4.22,;-8.16,-2.73,;-6.27,-4.62,)|
BDBM270162 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ncnc1OC)C1CC(C)(C)C1 |r,wU:2.1,wD:3.3,(17.04,-8.7,;15.7,-7.93,;15.7,-6.39,;14.37,-5.62,;14.37,-4.08,;13.03,-6.39,;12.26,-7.72,;13.8,-7.72,;11.7,-5.62,;10.37,-6.39,;9.89,-7.85,;8.35,-7.85,;7.88,-6.39,;6.39,-5.99,;5.99,-4.5,;4.5,-4.1,;3.41,-5.19,;3.81,-6.68,;2.72,-7.77,;1.23,-7.37,;5.3,-7.08,;9.12,-5.48,;9.12,-3.94,;10.46,-3.17,;11.79,-3.94,;13.12,-3.17,;10.46,-1.63,;9.12,-.86,;7.79,-1.63,;7.79,-3.17,;6.45,-3.94,;5.12,-3.17,;17.04,-5.62,;18.52,-6.02,;18.92,-4.53,;20.46,-4.53,;19.69,-3.2,;17.43,-4.13,)|
BDBM270163 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ncnc1OC)C1CC(C)(C)C1 |r,wU:2.1,3.3,(-4.08,1,;-5.41,1.77,;-5.41,3.31,;-6.74,4.08,;-6.74,5.62,;-8.08,3.31,;-8.85,1.97,;-7.31,1.97,;-9.41,4.08,;-10.74,3.31,;-11.22,1.84,;-12.76,1.84,;-13.24,3.31,;-14.72,3.7,;-15.12,5.19,;-16.61,5.59,;-17.7,4.5,;-17.3,3.01,;-18.39,1.93,;-19.88,2.32,;-15.81,2.62,;-11.99,4.21,;-11.99,5.75,;-10.66,6.52,;-9.32,5.75,;-7.99,6.52,;-10.66,8.06,;-11.99,8.83,;-13.32,8.06,;-13.32,6.52,;-14.66,5.75,;-15.99,6.52,;-4.08,4.08,;-2.59,3.68,;-2.19,5.17,;-.65,5.17,;-1.42,6.5,;-3.68,5.56,)|
BDBM270164 COc1c(Br)cc(Br)c(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:20.21,18.19,(2.4,-5.29,;1.07,-6.06,;-.27,-5.29,;-.27,-3.75,;1.07,-2.98,;-1.6,-2.98,;-2.94,-3.75,;-4.27,-2.98,;-2.94,-5.29,;-4.27,-6.06,;-5.6,-5.29,;-1.6,-6.06,;-1.6,-7.6,;-.36,-8.51,;.98,-7.74,;2.31,-8.51,;1.54,-9.84,;3.08,-9.84,;3.64,-7.74,;3.64,-6.2,;4.98,-8.51,;4.98,-10.05,;6.31,-7.74,;7.65,-8.51,;8.98,-7.74,;8.98,-6.2,;10.31,-5.43,;7.65,-5.43,;6.31,-6.2,;-.83,-9.97,;-2.37,-9.97,;-2.85,-8.51,;-4.34,-8.11,;-5.42,-9.2,;-6.91,-8.8,;-7.31,-7.31,;-6.22,-6.22,;-6.62,-4.74,;-4.73,-6.62,)|
BDBM269574 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wD:3.3,2.1,(1.75,-6.11,;.85,-4.86,;-.69,-5.02,;-1.59,-3.78,;-3.12,-3.94,;-.96,-2.37,;-2.37,-1.74,;.44,-3,;-.34,-.96,;-1.24,.28,;-2.78,.28,;-3.26,1.75,;-2.01,2.65,;-2.01,4.19,;-3.35,4.96,;-3.35,6.5,;-2.01,7.27,;-.68,6.5,;.65,7.27,;-.68,4.96,;-.77,1.75,;.7,2.22,;1.84,1.19,;1.52,-.31,;2.67,-1.34,;3.31,1.67,;3.63,3.18,;2.48,4.21,;1.02,3.73,;-.13,4.76,;.19,6.27,;-1.31,-6.43,;-2.84,-6.59,;-3.47,-8,;-2.56,-9.24,;-3.19,-10.65,;-1.03,-9.08,;-.41,-7.68,)|
BDBM269575 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(1.75,-6.11,;.85,-4.86,;-.69,-5.02,;-1.59,-3.78,;-3.12,-3.94,;-.96,-2.37,;-2.37,-1.74,;.44,-3,;-.34,-.96,;-1.24,.28,;-2.78,.28,;-3.26,1.75,;-2.01,2.65,;-2.01,4.19,;-3.35,4.96,;-3.35,6.5,;-2.01,7.27,;-.68,6.5,;.65,7.27,;-.68,4.96,;-.77,1.75,;.7,2.22,;1.84,1.19,;1.52,-.31,;2.67,-1.34,;3.31,1.67,;3.63,3.18,;2.48,4.21,;1.02,3.73,;-.13,4.76,;.19,6.27,;-1.31,-6.43,;-2.84,-6.59,;-3.47,-8,;-2.56,-9.24,;-3.19,-10.65,;-1.03,-9.08,;-.41,-7.68,)|
BDBM269576 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wD:3.3,2.1,(1.75,-6.11,;.85,-4.86,;-.69,-5.02,;-1.59,-3.78,;-3.12,-3.94,;-.96,-2.37,;-2.37,-1.74,;.44,-3,;-.34,-.96,;-1.24,.28,;-2.78,.28,;-3.26,1.75,;-2.01,2.65,;-2.01,4.19,;-3.35,4.96,;-3.35,6.5,;-2.01,7.27,;-.68,6.5,;.65,7.27,;-.68,4.96,;-.77,1.75,;.7,2.22,;1.84,1.19,;1.52,-.31,;2.67,-1.34,;3.31,1.67,;3.63,3.18,;2.48,4.21,;1.02,3.73,;-.13,4.76,;.19,6.27,;-1.31,-6.43,;-2.84,-6.59,;-3.47,-8,;-2.56,-9.24,;-3.19,-10.65,;-1.03,-9.08,;-.41,-7.68,)|
BDBM269577 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269639 COc1ccc(nc1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.84,-2.05,;-10.05,-.73,;-8.51,-.76,;-7.74,.57,;-6.2,.57,;-5.43,-.76,;-6.2,-2.1,;-7.75,-2.19,;-3.89,-.76,;-3.41,-2.23,;-1.87,-2.23,;-1.39,-.76,;-.06,.01,;1.27,-.76,;.5,-2.1,;2.04,-2.1,;2.61,.01,;2.61,1.55,;3.94,-.76,;5.27,.01,;6.61,-.76,;7.94,.01,;7.94,1.55,;9.28,2.32,;6.61,2.32,;5.27,1.55,;-2.64,.14,;-2.64,1.68,;-1.31,2.45,;.03,1.68,;1.36,2.45,;-1.31,3.99,;-2.64,4.76,;-3.97,3.99,;-3.97,2.45,;-5.31,1.68,;-6.64,2.45,)|
BDBM269640 COc1ccc(nc1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,-.7,;-9.66,-2.03,;-8.12,-2.03,;-7.35,-.7,;-5.81,-.7,;-5.04,-2.03,;-5.81,-3.36,;-7.35,-3.36,;-3.5,-2.03,;-3.02,-3.49,;-1.48,-3.49,;-1.01,-2.03,;.32,-1.26,;1.66,-2.03,;.89,-3.36,;2.43,-3.36,;2.99,-1.26,;2.99,.28,;4.33,-2.03,;5.66,-1.26,;6.99,-2.03,;8.33,-1.26,;8.33,.28,;9.66,1.05,;6.99,1.05,;5.66,.28,;-2.25,-1.13,;-2.25,.41,;-.92,1.18,;.41,.41,;1.75,1.18,;-.92,2.72,;-2.25,3.49,;-3.59,2.72,;-3.59,1.18,;-4.92,.41,;-6.26,1.18,)|
BDBM269641 COc1ccc(nc1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-10.43,-.7,;-9.66,-2.03,;-8.12,-2.03,;-7.35,-.7,;-5.81,-.7,;-5.04,-2.03,;-5.81,-3.36,;-7.35,-3.36,;-3.5,-2.03,;-3.02,-3.49,;-1.48,-3.49,;-1.01,-2.03,;.32,-1.26,;1.66,-2.03,;.89,-3.36,;2.43,-3.36,;2.99,-1.26,;2.99,.28,;4.33,-2.03,;5.66,-1.26,;6.99,-2.03,;8.33,-1.26,;8.33,.28,;9.66,1.05,;6.99,1.05,;5.66,.28,;-2.25,-1.13,;-2.25,.41,;-.92,1.18,;.41,.41,;1.75,1.18,;-.92,2.72,;-2.25,3.49,;-3.59,2.72,;-3.59,1.18,;-4.92,.41,;-6.26,1.18,)|
BDBM269762 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@H](O)c2ccc(F)cc2)n1-c1c(OC)cccc1OC |r,wU:24.25,wD:22.23,(-8.87,-19.99,;-9.27,-18.51,;-8.18,-17.42,;-8.58,-15.93,;-7.49,-14.84,;-6,-15.24,;-5.6,-16.73,;-6.69,-17.82,;-4.12,-17.13,;-3.64,-18.59,;-2.1,-18.59,;-1.62,-17.13,;-.14,-16.73,;.26,-15.24,;1.75,-14.84,;2.15,-13.35,;3.64,-12.95,;1.06,-12.26,;2.55,-11.87,;.95,-17.82,;1.35,-19.3,;-.14,-18.9,;2.29,-17.05,;2.29,-15.51,;3.62,-17.82,;3.62,-19.36,;4.95,-17.05,;6.29,-17.82,;7.62,-17.05,;7.62,-15.51,;8.95,-14.74,;6.29,-14.74,;4.95,-15.51,;-2.87,-16.22,;-2.87,-14.68,;-4.2,-13.91,;-5.54,-14.68,;-6.87,-13.91,;-4.2,-12.37,;-2.87,-11.6,;-1.54,-12.37,;-1.54,-13.91,;-.2,-14.68,;1.13,-13.91,)|
BDBM269817 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-7.74,-14.62,;-8.13,-13.13,;-7.05,-12.04,;-7.44,-10.55,;-6.35,-9.46,;-4.87,-9.86,;-4.47,-11.35,;-5.56,-12.44,;-3.14,-12.12,;-2.66,-13.58,;-1.12,-13.58,;-.64,-12.12,;.69,-11.35,;2.02,-12.12,;.94,-13.21,;3.11,-13.21,;3.11,-11.03,;4.6,-11.43,;5,-12.92,;5.69,-10.34,;7.18,-10.74,;8.27,-9.65,;7.87,-8.16,;8.96,-7.07,;6.38,-7.76,;5.29,-8.85,;-1.89,-11.21,;-1.89,-9.31,;-3.22,-8.54,;-4.56,-9.31,;-5.89,-8.54,;-3.22,-7,;-1.89,-6.23,;-.56,-7,;-.56,-8.54,;.78,-9.31,;2.11,-8.54,)|
BDBM269819 C[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1F)S(N)(=O)=O |r|
BDBM269818 CCc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-7.68,-9.32,;-8.08,-7.83,;-6.99,-6.75,;-7.39,-5.26,;-6.3,-4.17,;-4.82,-4.57,;-4.42,-6.06,;-5.51,-7.14,;-2.93,-6.45,;-2.45,-7.92,;-.91,-7.92,;-.44,-6.45,;1.05,-6.06,;2.14,-7.14,;1.05,-8.23,;3.23,-8.23,;3.23,-6.06,;4.71,-6.45,;5.11,-7.94,;5.8,-5.36,;7.29,-5.76,;8.38,-4.67,;7.98,-3.19,;9.07,-2.1,;6.49,-2.79,;5.4,-3.88,;-1.68,-5.55,;-1.68,-4.01,;-3.02,-3.24,;-4.35,-4.01,;-5.69,-3.24,;-3.02,-1.7,;-1.68,-.93,;-.35,-1.7,;-.35,-3.24,;.98,-4.01,;2.32,-3.24,)|
BDBM269970 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269971 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.76,-4.2,;-9.16,-2.71,;-8.07,-1.62,;-8.47,-.13,;-7.38,.96,;-5.89,.56,;-5.49,-.93,;-6.58,-2.02,;-4,-1.33,;-3.53,-2.79,;-1.99,-2.79,;-1.51,-1.33,;-.18,-.56,;1.15,-1.33,;.38,-2.66,;1.92,-2.66,;2.49,-.56,;2.49,.98,;3.82,-1.33,;3.82,-2.87,;5.16,-.56,;6.49,-1.33,;7.82,-.56,;7.82,.98,;9.16,1.75,;6.49,1.75,;5.16,.98,;-2.76,-.42,;-2.76,1.12,;-4.09,1.89,;-5.43,1.12,;-6.76,1.89,;-4.09,3.43,;-2.76,4.2,;-1.42,3.43,;-1.42,1.89,;-.09,1.12,;1.24,1.89,)|
BDBM270034 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:2.1,wD:3.3,(-3.39,.65,;-2.48,1.89,;-.95,1.73,;-.04,2.98,;1.49,2.82,;-.67,4.39,;-2.08,3.76,;.74,5.01,;-1.3,5.79,;-.39,7.04,;1.15,7.04,;1.62,8.5,;.38,9.41,;.38,10.95,;1.71,11.72,;1.71,13.26,;.38,14.03,;-.95,13.26,;-.95,11.72,;-.87,8.5,;-2.33,8.98,;-2.65,10.49,;-1.51,11.52,;-1.83,13.02,;-4.12,10.96,;-5.26,9.93,;-4.94,8.42,;-3.48,7.95,;-3.16,6.44,;-4.3,5.41,;-.32,.33,;1.21,.17,;1.84,-1.24,;.93,-2.49,;1.56,-3.89,;-.6,-2.33,;-1.23,-.92,)|
BDBM270035 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,wD:2.1,(-1.92,-12.55,;-1.02,-11.3,;.51,-11.47,;1.42,-10.22,;2.95,-10.38,;.79,-8.81,;-.61,-9.44,;2.2,-8.19,;.17,-7.41,;1.07,-6.16,;2.61,-6.16,;3.09,-4.7,;1.84,-3.79,;1.84,-2.25,;3.18,-1.48,;3.18,.06,;1.84,.83,;.51,.06,;.51,-1.48,;.6,-4.7,;-.87,-4.22,;-1.19,-2.71,;-.04,-1.68,;-.37,-.18,;-2.65,-2.24,;-3.8,-3.27,;-3.48,-4.77,;-2.01,-5.25,;-1.69,-6.76,;-2.84,-7.79,;1.14,-12.87,;2.67,-13.03,;3.3,-14.44,;2.39,-15.69,;3.02,-17.09,;.86,-15.53,;.23,-14.12,)|
BDBM270100 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.63,-2.14,;6.09,-2.14,;5.32,-.8,;3.78,-.8,;3.01,.53,;3.01,-2.14,;2.24,-3.47,;4.34,-2.91,;1.68,-1.37,;.34,-2.14,;.34,-3.68,;-1.12,-4.15,;-2.03,-2.91,;-3.51,-2.51,;-3.91,-1.02,;-5.4,-.62,;-6.49,-1.71,;-6.09,-3.2,;-6.86,-4.53,;-8.4,-4.53,;-4.6,-3.6,;-1.12,-1.66,;-1.81,.4,;-3.3,.8,;-4.39,-.29,;-5.87,.11,;-3.69,2.29,;-2.61,3.38,;-1.12,2.98,;-.72,1.49,;.77,1.09,;1.54,2.43,;3.08,2.43,;.77,3.76,;6.09,.53,;5.32,1.86,;6.09,3.2,;7.63,3.2,;8.4,4.53,;8.4,1.86,;7.63,.53,)|
BDBM270101 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.67,-2.33,;5.13,-2.33,;4.36,-.99,;2.82,-.99,;2.05,.34,;2.05,-2.33,;1.28,-3.66,;3.39,-3.1,;.72,-1.56,;-.61,-2.33,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,;-2.08,-1.85,;-2.76,.21,;-4.25,.61,;-5.34,-.48,;-6.83,-.08,;-4.65,2.1,;-3.56,3.19,;-2.07,2.79,;-1.68,1.3,;-.19,.9,;.58,2.24,;2.12,2.24,;-.19,3.57,;5.13,.34,;4.36,1.67,;5.13,3.01,;6.67,3.01,;7.44,4.34,;7.44,1.67,;6.67,.34,)|
BDBM270102 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.16,-2.33,;5.62,-2.33,;4.85,-.99,;3.31,-.99,;2.54,.34,;2.54,-2.33,;1.77,-3.66,;3.88,-3.1,;1.21,-1.56,;-.13,-2.33,;-.13,-3.87,;-1.59,-4.34,;-2.49,-3.1,;-4.96,-2.63,;-6.05,-3.71,;-7.53,-3.32,;-7.93,-1.83,;-6.84,-.74,;-7.24,.75,;-5.36,-1.14,;-1.59,-1.85,;-2.28,.21,;-3.76,.61,;-4.85,-.48,;-6.34,-.08,;-4.16,2.1,;-3.07,3.19,;-1.59,2.79,;-1.19,1.3,;.3,.9,;1.07,2.24,;2.61,2.24,;.3,3.57,;5.62,.34,;4.85,1.67,;5.62,3.01,;7.16,3.01,;7.93,4.34,;7.93,1.67,;7.16,.34,)|
BDBM270103 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC(F)F)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.91,-2.33,;5.37,-2.33,;4.6,-.99,;3.06,-.99,;2.29,.34,;2.29,-2.33,;1.52,-3.66,;3.62,-3.1,;.96,-1.56,;-.38,-2.33,;-.38,-3.87,;-1.84,-4.34,;-2.75,-3.1,;-4.23,-2.7,;-4.63,-1.21,;-6.12,-.81,;-7.21,-1.9,;-6.81,-3.39,;-5.32,-3.79,;-1.84,-1.85,;-2.53,.21,;-4.02,.61,;-5.1,-.48,;-6.59,-.08,;-6.99,1.41,;-7.68,-1.17,;-4.41,2.1,;-3.33,3.19,;-1.84,2.79,;-1.44,1.3,;.05,.9,;.82,2.24,;.05,3.57,;2.36,2.24,;5.37,.34,;4.6,1.67,;5.37,3.01,;6.91,3.01,;7.68,4.34,;7.68,1.67,;6.91,.34,)|
BDBM270165 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(Br)c1 |r,wU:18.19,16.17,(-7.1,1.22,;-5.77,.45,;-4.44,1.22,;-4.44,2.76,;-3.1,3.53,;-1.77,2.76,;-1.77,1.22,;-.44,.45,;.9,1.22,;-3.1,.45,;-3.1,-1.09,;-1.86,-1.99,;-.52,-1.22,;.81,-1.99,;.04,-3.33,;1.58,-3.33,;2.14,-1.22,;2.14,.32,;3.48,-1.99,;3.48,-3.53,;4.81,-1.22,;6.14,-1.99,;7.48,-1.22,;7.48,.32,;8.81,1.09,;6.14,1.09,;4.81,.32,;-2.33,-3.46,;-3.87,-3.46,;-4.35,-1.99,;-5.84,-1.59,;-6.93,-2.68,;-8.41,-2.28,;-8.81,-.8,;-7.72,.29,;-8.12,1.78,;-6.24,-.11,)|
BDBM270166 COc1c(Br)cc(Br)c(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(c1)C1CC1 |r,wU:20.21,18.19,(2.4,-5.29,;1.07,-6.06,;-.27,-5.29,;-.27,-3.75,;1.07,-2.98,;-1.6,-2.98,;-2.94,-3.75,;-4.27,-2.98,;-2.94,-5.29,;-4.27,-6.06,;-5.6,-5.29,;-1.6,-6.06,;-1.6,-7.6,;-.36,-8.51,;.98,-7.74,;2.31,-8.51,;1.54,-9.84,;3.08,-9.84,;3.64,-7.74,;3.64,-6.2,;4.98,-8.51,;4.98,-10.05,;6.31,-7.74,;7.65,-8.51,;8.98,-7.74,;8.98,-6.2,;10.31,-5.43,;7.65,-5.43,;6.31,-6.2,;-.83,-9.97,;-2.37,-9.97,;-2.85,-8.51,;-4.34,-8.11,;-5.42,-9.2,;-6.91,-8.8,;-7.31,-7.31,;-6.22,-6.22,;-4.73,-6.62,;-6.62,-4.74,;-6.22,-3.25,;-7.71,-3.65,)|
BDBM270167 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2cn3ccccc3n2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(2.4,-5.29,;1.07,-6.06,;-.27,-5.29,;-.27,-3.75,;-1.6,-2.98,;-2.94,-3.75,;-2.94,-5.29,;-4.27,-6.06,;-5.6,-5.29,;-1.6,-6.06,;-1.6,-7.6,;-.36,-8.51,;.98,-7.74,;2.31,-8.51,;1.54,-9.84,;3.08,-9.84,;3.64,-7.74,;3.64,-6.2,;4.98,-8.51,;4.98,-10.05,;6.31,-7.74,;6.47,-6.21,;7.98,-5.89,;8.75,-4.55,;10.29,-4.55,;11.06,-5.89,;10.29,-7.22,;8.75,-7.22,;7.72,-8.37,;-.83,-9.97,;-2.37,-9.97,;-2.85,-8.51,;-4.34,-8.11,;-4.73,-6.62,;-6.22,-6.22,;-7.31,-7.31,;-6.91,-8.8,;-5.42,-9.2,)|
BDBM270168 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2cn3ccccc3n2)nnc1-c1cccnc1 |r,wU:18.19,16.17,(.09,-3.44,;-1.24,-4.21,;-2.57,-3.44,;-2.57,-1.9,;-3.91,-1.13,;-5.24,-1.9,;-5.24,-3.44,;-6.57,-4.21,;-7.91,-3.44,;-3.91,-4.21,;-3.91,-5.75,;-2.66,-6.66,;-1.33,-5.89,;.01,-6.66,;-.76,-7.99,;.78,-7.99,;1.34,-5.89,;1.34,-4.35,;2.67,-6.66,;2.67,-8.2,;4.01,-5.89,;4.17,-4.36,;5.67,-4.04,;6.44,-2.7,;7.98,-2.7,;8.75,-4.04,;7.98,-5.37,;6.44,-5.37,;5.41,-6.52,;-3.14,-8.12,;-4.68,-8.12,;-5.15,-6.66,;-6.64,-6.26,;-7.04,-4.77,;-8.53,-4.38,;-9.62,-5.46,;-9.22,-6.95,;-7.73,-7.35,)|
BDBM269636 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C#N |r,wU:16.17,(1.36,2.45,;.03,1.68,;-1.31,2.45,;-1.31,3.99,;-2.64,4.76,;-3.97,3.99,;-3.97,2.45,;-5.31,1.68,;-6.64,2.45,;-2.64,1.68,;-2.64,.14,;-1.39,-.76,;-.06,.01,;1.27,-.76,;.5,-2.1,;2.04,-2.1,;2.61,.01,;2.61,1.55,;3.94,-.76,;5.27,.01,;6.61,-.76,;7.94,.01,;7.94,1.55,;9.28,2.32,;6.61,2.32,;5.27,1.55,;-1.87,-2.23,;-3.41,-2.23,;-3.89,-.76,;-5.43,-.76,;-6.2,.57,;-7.74,.57,;-8.51,-.76,;-7.75,-2.19,;-6.2,-2.1,;-8.5,-3.54,;-9.25,-4.88,)|
BDBM270136 COc1cnc(cn1)[C@H](O)[C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wD:10.11,8.9,(9.65,-2.2,;8.56,-1.11,;7.08,-1.51,;5.99,-.42,;4.5,-.82,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;2.61,-2.71,;2.21,-4.2,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,)|
BDBM269578 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269579 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269580 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269581 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-10.64,-1.82,;-9.16,-2.22,;-8.07,-1.13,;-8.47,.36,;-7.38,1.45,;-5.89,1.05,;-5.49,-.44,;-6.58,-1.53,;-4,-.84,;-3.53,-2.3,;-1.99,-2.3,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,)|
BDBM269645 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C(=O)N1CCC1 |r,wU:16.17,(.98,2.45,;-.36,1.68,;-1.69,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-3.02,1.68,;-3.02,.14,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-2.25,-2.23,;-3.79,-2.23,;-4.27,-.76,;-5.81,-.76,;-6.58,.57,;-8.12,.57,;-8.89,-.76,;-8.12,-2.1,;-6.58,-2.1,;-8.89,-3.43,;-10.43,-3.43,;-8.12,-4.76,;-8.44,-6.27,;-7.19,-7.17,;-6.87,-5.67,)|
BDBM269977 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)nc1OC |r,wU:3.3,wD:2.1,(5.64,-9.21,;4.31,-8.44,;4.31,-6.9,;2.98,-6.13,;2.98,-4.59,;1.64,-6.9,;.87,-8.24,;2.41,-8.24,;.31,-6.13,;-1.03,-6.9,;-1.5,-8.37,;-3.04,-8.37,;-3.52,-6.9,;-5,-6.51,;-5.4,-5.02,;-6.89,-4.62,;-7.98,-5.71,;-7.58,-7.2,;-8.67,-8.29,;-8.27,-9.77,;-6.09,-7.6,;-2.27,-6,;-2.27,-4.46,;-3.61,-3.69,;-4.94,-4.46,;-6.27,-3.69,;-3.61,-2.15,;-2.27,-1.38,;-.94,-2.15,;-.94,-3.69,;.4,-4.46,;1.73,-3.69,;5.64,-6.13,;5.64,-4.59,;6.98,-3.82,;8.31,-4.59,;9.64,-3.82,;8.31,-6.13,;6.98,-6.9,;6.98,-8.44,;8.31,-9.21,)|
BDBM270104 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC(F)F)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.03,-2.26,;5.49,-2.26,;4.72,-.93,;3.18,-.93,;2.41,.41,;2.41,-2.26,;1.64,-3.59,;3.75,-3.03,;1.08,-1.49,;-.25,-2.26,;-.25,-3.8,;-1.72,-4.27,;-2.62,-3.03,;-4.11,-2.63,;-4.51,-1.14,;-6,-.74,;-7.09,-1.83,;-6.69,-3.32,;-7.78,-4.41,;-5.2,-3.72,;-1.72,-1.78,;-2.41,.28,;-3.89,.68,;-4.98,-.41,;-6.47,-.01,;-6.47,1.53,;-7.8,-.78,;-4.29,2.17,;-3.2,3.26,;-1.72,2.86,;-1.32,1.37,;.17,.97,;.94,2.31,;.17,3.64,;2.48,2.31,;5.49,.41,;4.72,1.74,;5.49,3.08,;7.03,3.08,;7.8,4.41,;7.8,1.74,;7.03,.41,)|
BDBM270105 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(.94,2.31,;.17,.97,;-1.32,1.37,;-1.72,2.86,;-3.2,3.26,;-4.29,2.17,;-3.89,.68,;-4.98,-.41,;-6.47,-.01,;-2.41,.28,;-1.72,-1.78,;-.25,-2.26,;1.08,-1.49,;2.41,-2.26,;1.64,-3.59,;3.75,-3.03,;3.18,-.93,;2.41,.41,;4.72,-.93,;5.49,-2.26,;5.49,.41,;4.72,1.74,;5.49,3.08,;7.03,3.08,;7.8,4.41,;7.8,1.74,;7.03,.41,;-.25,-3.8,;-1.72,-4.27,;-2.62,-3.03,;-4.11,-2.63,;-4.51,-1.14,;-6,-.74,;-7.09,-1.83,;-6.69,-3.32,;-7.78,-4.41,;-5.2,-3.72,)|
BDBM270106 COc1cnc(nc1)[C@@H](C)[C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wU:10.11,8.9,(6.86,.32,;5.53,1.09,;4.19,.32,;4.19,-1.22,;2.86,-1.99,;1.53,-1.22,;1.53,.32,;2.86,1.09,;.19,-1.99,;.19,-3.53,;-1.14,-1.22,;-1.14,.32,;-2.47,-1.99,;-3.24,-3.33,;-1.7,-3.33,;-3.81,-1.22,;-5.14,-1.99,;-5.62,-3.46,;-7.16,-3.46,;-7.63,-1.99,;-9.12,-1.59,;-9.52,-.11,;-11.01,.29,;-12.1,-.8,;-11.7,-2.28,;-10.21,-2.68,;-6.39,-1.09,;-6.39,.45,;-7.72,1.22,;-9.06,.45,;-10.39,1.22,;-7.72,2.76,;-6.39,3.53,;-5.05,2.76,;-5.05,1.22,;-3.72,.45,;-2.39,1.22,)|
BDBM270107 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(C)cccc1C)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.19,-3.92,;.85,-3.15,;.85,-1.61,;-.48,-.84,;-.48,.7,;-1.82,-1.61,;-2.59,-2.94,;-1.05,-2.94,;-3.15,-.84,;-4.48,-1.61,;-4.96,-3.07,;-6.5,-3.07,;-6.97,-1.61,;-8.46,-1.21,;-9.55,-2.3,;-11.04,-1.9,;-11.44,-.41,;-10.35,.68,;-10.75,2.16,;-8.86,.28,;-5.73,-.7,;-5.73,.84,;-7.06,1.61,;-8.4,.84,;-7.06,3.15,;-5.73,3.92,;-4.4,3.15,;-4.4,1.61,;-3.06,.84,;2.19,-.84,;3.52,-1.61,;4.85,-.84,;4.85,.7,;6.19,1.47,;3.52,1.47,;2.19,.7,)|
BDBM270169 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:3.2,4.4,(1.34,-10.51,;1.34,-8.97,;2.67,-8.2,;2.67,-6.66,;1.34,-5.89,;1.34,-4.35,;.01,-6.66,;-.76,-7.99,;.78,-7.99,;-1.33,-5.89,;-2.66,-6.66,;-3.14,-8.12,;-4.68,-8.12,;-5.15,-6.66,;-6.64,-6.26,;-7.73,-7.35,;-9.22,-6.95,;-9.62,-5.46,;-8.53,-4.38,;-8.93,-2.89,;-7.04,-4.77,;-3.91,-5.75,;-3.91,-4.21,;-2.57,-3.44,;-1.24,-4.21,;-2.57,-1.9,;-3.91,-1.13,;-5.24,-1.9,;-5.24,-3.44,;-6.57,-4.21,;4.01,-5.89,;5.34,-6.66,;6.67,-5.89,;6.67,-4.35,;8.01,-3.58,;5.34,-3.58,;4.01,-4.35,)|
BDBM270170 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cccc(C)n1 |r,wU:16.17,wD:18.19,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269507 COc1cccc(n1)-c1nnc(NS(C)(=O)=O)n1-c1c(OC)cccc1OC |(-8.18,-4.38,;-8.58,-2.89,;-7.49,-1.8,;-7.89,-.31,;-6.8,.78,;-5.31,.38,;-4.91,-1.11,;-6,-2.2,;-3.42,-1.51,;-2.95,-2.97,;-1.41,-2.97,;-.93,-1.51,;.56,-1.11,;1.64,-2.2,;2.73,-1.11,;.56,-3.29,;2.73,-3.29,;-2.18,-.6,;-2.18,1.3,;-3.51,2.07,;-4.85,1.3,;-6.18,2.07,;-3.51,3.61,;-2.18,4.38,;-.84,3.61,;-.84,2.07,;.49,1.3,;1.82,2.07,)|
BDBM269510 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:3.3,2.1,(4.81,-3.92,;3.48,-3.15,;3.48,-1.61,;2.14,-.84,;2.14,.7,;.81,-1.61,;.04,-2.94,;1.58,-2.94,;-.52,-.84,;-1.86,-1.61,;-2.33,-3.07,;-3.87,-3.07,;-4.35,-1.61,;-5.84,-1.21,;-6.93,-2.3,;-8.41,-1.9,;-8.81,-.41,;-7.72,.68,;-8.12,2.16,;-6.24,.28,;-3.1,-.7,;-3.1,.84,;-1.77,1.61,;-.44,.84,;.9,1.61,;-1.77,3.15,;-3.1,3.92,;-4.44,3.15,;-4.44,1.61,;-5.77,.84,;-7.1,1.61,;4.81,-.84,;6.14,-1.61,;7.48,-.84,;7.48,.7,;8.81,1.47,;6.14,1.47,;4.81,.7,)|
BDBM269582 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-10.64,-1.82,;-9.16,-2.22,;-8.07,-1.13,;-8.47,.36,;-7.38,1.45,;-5.89,1.05,;-5.49,-.44,;-6.58,-1.53,;-4,-.84,;-3.53,-2.3,;-1.99,-2.3,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,)|
BDBM269583 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-10.64,-1.82,;-9.16,-2.22,;-8.07,-1.13,;-8.47,.36,;-7.38,1.45,;-5.89,1.05,;-5.49,-.44,;-6.58,-1.53,;-4,-.84,;-3.53,-2.3,;-1.99,-2.3,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,)|
BDBM269584 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-10.64,-1.82,;-9.16,-2.22,;-8.07,-1.13,;-8.47,.36,;-7.38,1.45,;-5.89,1.05,;-5.49,-.44,;-6.58,-1.53,;-4,-.84,;-3.53,-2.3,;-1.99,-2.3,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,)|
BDBM269585 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)nnc1-c1cccc(C)n1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269646 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C(=O)N1CCC1 |r,wU:16.17,(1.75,3.4,;.41,2.63,;-.92,3.4,;-.92,4.94,;-2.25,5.71,;-3.59,4.94,;-3.59,3.4,;-4.92,2.63,;-6.26,3.4,;-2.25,2.63,;-2.25,1.09,;-1.01,.18,;.32,.95,;1.66,.18,;.89,-1.15,;2.43,-1.15,;2.99,.95,;2.99,2.49,;4.33,.18,;5.66,.95,;6.99,.18,;8.33,.95,;8.33,2.49,;9.66,3.26,;6.99,3.26,;5.66,2.49,;-1.48,-1.28,;-3.02,-1.28,;-3.5,.18,;-5.04,.18,;-5.81,1.51,;-7.35,1.51,;-8.12,.18,;-7.35,-1.15,;-5.81,-1.15,;-8.12,-2.49,;-9.66,-2.49,;-7.35,-3.82,;-7.75,-5.31,;-6.26,-5.71,;-5.86,-4.22,)|
BDBM269647 CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269767 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@H](O)c2ccc(F)cc2Br)n1-c1c(OC)cccc1OC |r,wU:24.25,wD:22.23,(2.02,-10.37,;1.62,-8.88,;2.71,-7.79,;2.31,-6.3,;3.4,-5.21,;4.89,-5.61,;5.28,-7.1,;4.19,-8.19,;6.77,-7.5,;7.25,-8.96,;8.79,-8.96,;9.26,-7.5,;10.75,-7.1,;11.52,-5.77,;13.01,-5.37,;13.41,-3.88,;12.32,-2.79,;14.89,-3.48,;13.81,-2.39,;12.08,-7.87,;12.85,-9.2,;11.31,-9.2,;13.42,-7.1,;13.42,-5.56,;14.75,-7.87,;14.75,-9.41,;16.09,-7.1,;16.09,-5.56,;17.42,-4.79,;18.75,-5.56,;20.09,-4.79,;18.75,-7.1,;17.42,-7.87,;17.42,-9.41,;8.02,-6.59,;8.02,-5.05,;6.68,-4.28,;5.35,-5.05,;4.02,-4.28,;6.68,-2.74,;8.02,-1.97,;9.35,-2.74,;9.35,-4.28,;10.68,-5.05,;12.02,-4.28,)|
BDBM269770 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](O)c2nc(C)c(C)s2)cc1 |r|
BDBM269867 COc1cccc(OC)c1-n1c(NS(=O)(=O)N[C@@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:17.18,(1,1.2,;-.34,.43,;-1.67,1.2,;-1.72,2.76,;-3.05,3.53,;-4.38,2.76,;-4.38,1.22,;-5.72,.45,;-7.05,1.22,;-3.05,.45,;-3.05,-1.09,;-1.81,-1.99,;-.47,-1.22,;.86,-1.99,;.09,-3.33,;1.63,-3.33,;2.2,-1.22,;3.53,-1.99,;3.53,-3.53,;4.86,-1.22,;6.2,-1.99,;7.53,-1.22,;7.53,.32,;8.86,1.09,;6.2,1.09,;4.86,.32,;-2.28,-3.46,;-3.82,-3.46,;-4.3,-1.99,;-5.78,-1.59,;-6.55,-2.93,;-8.09,-2.93,;-8.86,-1.59,;-8.09,-.26,;-8.86,1.07,;-6.55,-.26,)|
BDBM269868 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,16.17,(1.57,-2.91,;.24,-3.68,;-1.1,-2.91,;-1.14,-1.35,;-2.48,-.58,;-3.81,-1.35,;-3.81,-2.89,;-5.15,-3.66,;-6.48,-2.89,;-2.48,-3.66,;-2.48,-5.2,;-1.23,-6.1,;.1,-5.33,;1.44,-6.1,;.67,-7.43,;2.21,-7.43,;2.77,-5.33,;2.77,-3.79,;4.1,-6.1,;4.1,-7.64,;5.44,-8.41,;5.44,-9.95,;6.77,-10.72,;5.44,-5.33,;6.77,-6.1,;8.1,-5.33,;8.1,-3.79,;9.44,-3.02,;6.77,-3.02,;5.44,-3.79,;-1.71,-7.57,;-3.25,-7.57,;-3.72,-6.1,;-5.21,-5.7,;-5.98,-7.04,;-7.52,-7.04,;-8.29,-5.7,;-7.52,-4.37,;-8.29,-3.04,;-5.98,-4.37,)|
BDBM269869 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,16.17,(1.44,-2.91,;.11,-3.68,;-1.22,-2.91,;-1.27,-1.35,;-2.61,-.58,;-3.94,-1.35,;-3.94,-2.89,;-5.27,-3.66,;-6.61,-2.89,;-2.61,-3.66,;-2.61,-5.2,;-1.36,-6.1,;-.03,-5.33,;1.31,-6.1,;.54,-7.43,;2.08,-7.43,;2.64,-5.33,;2.64,-3.79,;3.98,-6.1,;3.98,-7.64,;5.31,-8.41,;5.31,-9.95,;6.64,-10.72,;5.31,-5.33,;6.64,-6.1,;7.98,-5.33,;7.98,-3.79,;9.31,-3.02,;6.64,-3.02,;5.31,-3.79,;-1.84,-7.57,;-3.38,-7.57,;-3.85,-6.1,;-5.34,-5.7,;-6.11,-7.04,;-7.65,-7.04,;-8.42,-5.7,;-7.65,-4.37,;-8.42,-3.04,;-6.11,-4.37,)|
BDBM269870 COCCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:5.4,6.6,(6.64,-12.26,;6.64,-10.72,;5.31,-9.95,;5.31,-8.41,;3.98,-7.64,;3.98,-6.1,;2.64,-5.33,;2.64,-3.79,;1.31,-6.1,;.54,-7.43,;2.08,-7.43,;-.03,-5.33,;-1.36,-6.1,;-1.84,-7.57,;-3.38,-7.57,;-3.85,-6.1,;-5.34,-5.7,;-6.11,-7.04,;-7.65,-7.04,;-8.42,-5.7,;-7.65,-4.37,;-8.42,-3.04,;-6.11,-4.37,;-2.61,-5.2,;-2.61,-3.66,;-1.22,-2.91,;.11,-3.68,;1.44,-2.91,;-1.27,-1.35,;-2.61,-.58,;-3.94,-1.35,;-3.94,-2.89,;-5.27,-3.66,;-6.61,-2.89,;5.31,-5.33,;6.64,-6.1,;7.98,-5.33,;7.98,-3.79,;9.31,-3.02,;6.64,-3.02,;5.31,-3.79,)|
BDBM269916 COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,16.17,(2.17,-4.02,;1.08,-5.11,;-.4,-4.71,;-.8,-3.23,;-2.29,-2.83,;-3.38,-3.92,;-2.98,-5.4,;-4.07,-6.49,;-5.56,-6.09,;-1.49,-5.8,;-1.09,-7.29,;.37,-7.77,;1.7,-7,;3.04,-7.77,;2.27,-9.1,;4.37,-8.54,;3.81,-6.43,;3.04,-5.1,;5.35,-6.43,;6.12,-7.77,;6.12,-5.1,;7.66,-5.1,;8.43,-3.76,;7.66,-2.43,;8.43,-1.1,;6.12,-2.43,;5.35,-3.76,;.37,-9.31,;-1.09,-9.78,;-2,-8.54,;-3.54,-8.54,;-4.31,-7.2,;-5.85,-7.2,;-6.62,-8.54,;-5.85,-9.87,;-6.62,-11.2,;-4.31,-9.87,)|
BDBM269917 COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,16.17,(1.27,2.13,;.18,1.04,;-1.31,1.44,;-1.71,2.92,;-3.19,3.32,;-4.28,2.23,;-3.88,.75,;-4.97,-.34,;-6.46,.06,;-2.4,.35,;-2,-1.14,;-.53,-1.62,;.8,-.85,;2.13,-1.62,;1.36,-2.95,;3.47,-2.39,;2.9,-.28,;2.13,1.05,;4.44,-.28,;5.21,-1.62,;5.21,1.05,;6.75,1.05,;7.52,2.39,;6.75,3.72,;7.52,5.05,;5.21,3.72,;4.44,2.39,;-.53,-3.16,;-2,-3.63,;-2.9,-2.39,;-4.44,-2.39,;-5.21,-1.05,;-6.75,-1.05,;-7.52,-2.39,;-6.75,-3.72,;-7.52,-5.05,;-5.21,-3.72,)|
BDBM269918 COc1ncccc1-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1cn(C)c2ccccc12 |r,wU:18.19,16.17,(-3.77,2.88,;-5.31,2.88,;-6.08,4.22,;-7.64,4.26,;-8.41,5.6,;-7.64,6.93,;-6.1,6.93,;-5.33,5.6,;-3.79,5.6,;-2.89,4.35,;-1.42,4.83,;-1.42,6.37,;-.09,7.14,;1.24,6.37,;.47,5.03,;2.58,5.6,;2.01,7.7,;1.24,9.04,;3.55,7.7,;4.32,6.37,;4.32,9.04,;5.86,9.04,;6.63,10.37,;5.86,11.7,;6.63,13.04,;4.32,11.7,;3.55,10.37,;-2.89,6.84,;-3.66,8.18,;-2.75,9.42,;-3.66,10.67,;-3.26,12.16,;-5.12,10.19,;-6.46,10.96,;-7.79,10.19,;-7.79,8.65,;-6.46,7.88,;-5.12,8.65,)|
BDBM269979 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)nc1OC |r,wD:3.3,2.1,(5.52,-9.21,;4.18,-8.44,;4.18,-6.9,;2.85,-6.13,;2.85,-4.59,;1.51,-6.9,;.74,-8.24,;2.28,-8.24,;.18,-6.13,;-1.15,-6.9,;-1.63,-8.37,;-3.17,-8.37,;-3.64,-6.9,;-5.13,-6.51,;-5.53,-5.02,;-7.02,-4.62,;-8.11,-5.71,;-7.71,-7.2,;-8.8,-8.29,;-8.4,-9.77,;-6.22,-7.6,;-2.4,-6,;-2.4,-4.46,;-3.73,-3.69,;-5.07,-4.46,;-6.4,-3.69,;-3.73,-2.15,;-2.4,-1.38,;-1.07,-2.15,;-1.07,-3.69,;.27,-4.46,;1.6,-3.69,;5.52,-6.13,;5.52,-4.59,;6.85,-3.82,;8.18,-4.59,;9.52,-3.82,;8.18,-6.13,;6.85,-6.9,;6.85,-8.44,;8.18,-9.21,)|
BDBM270045 CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.2,wD:4.4,(4.61,-18,;3.08,-18.16,;2.17,-16.91,;.64,-17.07,;-.26,-15.83,;-1.79,-15.99,;.36,-14.42,;-1.04,-13.79,;1.77,-15.04,;.99,-13.01,;.08,-11.77,;-1.46,-11.77,;-1.93,-10.3,;-.69,-9.4,;-.69,-7.86,;-2.02,-7.09,;-2.02,-5.55,;-.69,-4.78,;.65,-5.55,;1.98,-4.78,;.65,-7.09,;.56,-10.3,;2.02,-9.83,;3.17,-10.86,;2.85,-12.36,;3.99,-13.39,;4.63,-10.38,;4.95,-8.87,;3.81,-7.84,;2.34,-8.32,;1.2,-7.29,;1.52,-5.78,;.02,-18.48,;.92,-19.72,;.29,-21.13,;-1.24,-21.29,;-1.86,-22.7,;-2.14,-20.05,;-1.52,-18.64,)|
BDBM270108 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(F)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(3.28,-3.92,;1.95,-3.15,;1.95,-1.61,;.62,-.84,;.62,.7,;-.72,-1.61,;-1.49,-2.94,;.05,-2.94,;-2.05,-.84,;-3.39,-1.61,;-3.86,-3.07,;-5.4,-3.07,;-5.88,-1.61,;-7.36,-1.21,;-7.76,.28,;-9.25,.68,;-10.34,-.41,;-9.94,-1.9,;-11.03,-2.99,;-12.52,-2.59,;-8.45,-2.3,;-4.63,-.7,;-4.63,.84,;-5.96,1.61,;-7.3,.84,;-5.96,3.15,;-4.63,3.92,;-3.3,3.15,;-3.3,1.61,;-1.96,.84,;-.63,1.61,;3.28,-.84,;4.62,-1.61,;5.95,-.84,;5.95,.7,;7.28,1.47,;4.62,1.47,;3.28,.7,)|
BDBM270109 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(Cl)cccc1Cl)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.18,-3.92,;.85,-3.15,;.85,-1.61,;-.48,-.84,;-.48,.7,;-1.82,-1.61,;-2.59,-2.94,;-1.05,-2.94,;-3.15,-.84,;-4.48,-1.61,;-4.96,-3.07,;-6.5,-3.07,;-6.98,-1.61,;-8.46,-1.21,;-9.55,-2.3,;-11.04,-1.9,;-11.44,-.41,;-10.35,.68,;-10.75,2.16,;-8.86,.28,;-5.73,-.7,;-5.73,.84,;-7.06,1.61,;-8.4,.84,;-7.06,3.15,;-5.73,3.92,;-4.4,3.15,;-4.4,1.61,;-3.06,.84,;2.18,-.84,;3.52,-1.61,;4.85,-.84,;4.85,.7,;6.19,1.47,;3.52,1.47,;2.18,.7,)|
BDBM270110 Fc1cnc(CCS(Cl)(=O)=O)nc1
BDBM270111 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.18,-3.92,;.85,-3.15,;.85,-1.61,;-.48,-.84,;-.48,.7,;-1.82,-1.61,;-2.59,-2.94,;-1.05,-2.94,;-3.15,-.84,;-4.48,-1.61,;-4.96,-3.07,;-6.5,-3.07,;-6.98,-1.61,;-8.46,-1.21,;-9.55,-2.3,;-11.04,-1.9,;-11.44,-.41,;-10.35,.68,;-10.75,2.16,;-8.86,.28,;-5.73,-.7,;-5.73,.84,;-7.06,1.61,;-8.4,.84,;-7.06,3.15,;-5.73,3.92,;-4.4,3.15,;-4.4,1.61,;-3.06,.84,;2.18,-.84,;3.52,-1.61,;4.85,-.84,;4.85,.7,;6.19,1.47,;3.52,1.47,;2.18,.7,)|
BDBM270112 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(F)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.18,-3.92,;.85,-3.15,;.85,-1.61,;-.48,-.84,;-.48,.7,;-1.82,-1.61,;-2.59,-2.94,;-1.05,-2.94,;-3.15,-.84,;-4.48,-1.61,;-4.96,-3.07,;-6.5,-3.07,;-6.98,-1.61,;-8.46,-1.21,;-8.86,.28,;-10.35,.68,;-11.44,-.41,;-11.04,-1.9,;-12.13,-2.99,;-13.62,-2.59,;-9.55,-2.3,;-5.73,-.7,;-5.73,.84,;-7.06,1.61,;-8.4,.84,;-7.06,3.15,;-5.73,3.92,;-4.4,3.15,;-4.4,1.61,;-3.06,.84,;-1.73,1.61,;2.18,-.84,;3.52,-1.61,;4.85,-.84,;4.85,.7,;6.19,1.47,;3.52,1.47,;2.18,.7,)|
BDBM270173 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.16,-3.15,;3.82,-2.38,;3.82,-.84,;2.49,-.07,;2.49,1.47,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;-.18,-.07,;-1.51,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-10.64,-1.82,;-6.58,-1.53,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,)|
BDBM270174 COc1cnc(nc1)[C@@H](OC(C)C)[C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC |r,wU:8.9,wD:13.14,(9.16,3.78,;9.16,2.24,;7.82,1.47,;7.82,-.07,;6.49,-.84,;5.16,-.07,;5.16,1.47,;6.49,2.24,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;2.49,-.07,;2.49,1.47,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;-.18,-.07,;-1.51,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,;-2.76,.07,;-2.76,1.61,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-1.42,3.92,;-2.76,4.69,;-4.09,3.92,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,)|
BDBM270175 COc1cnc(nc1)[C@H](OC(C)C)[C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC |r,wU:13.14,wD:8.9,(9.16,3.78,;9.16,2.24,;7.82,1.47,;7.82,-.07,;6.49,-.84,;5.16,-.07,;5.16,1.47,;6.49,2.24,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;2.49,-.07,;2.49,1.47,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;-.18,-.07,;-1.51,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,;-2.76,.07,;-2.76,1.61,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-1.42,3.92,;-2.76,4.69,;-4.09,3.92,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,)|
BDBM270176 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ccc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(1.24,2.38,;-.09,1.61,;-1.42,2.38,;-1.42,3.92,;-2.76,4.69,;-4.09,3.92,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;5.16,-.07,;5.16,1.47,;6.49,2.24,;7.82,1.47,;9.16,2.24,;7.82,-.07,;6.49,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM269511 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:3.3,2.1,(1.74,-4.79,;3.08,-4.02,;3.08,-2.48,;1.99,-1.39,;2.39,.1,;.5,-1.79,;-.59,-2.88,;.9,-3.28,;-.59,-.7,;-2.07,-1.1,;-2.55,-2.56,;-4.09,-2.56,;-4.57,-1.1,;-6.05,-.7,;-7.14,-1.79,;-8.63,-1.39,;-9.03,.1,;-7.94,1.19,;-8.34,2.67,;-6.45,.79,;-3.32,-.19,;-3.32,1.71,;-4.65,2.48,;-5.99,1.71,;-7.32,2.48,;-4.65,4.02,;-3.32,4.79,;-1.99,4.02,;-1.99,2.48,;-.65,1.71,;.68,2.48,;4.57,-2.08,;5.66,-3.17,;7.14,-2.77,;7.54,-1.28,;9.03,-.88,;6.45,-.19,;4.96,-.59,)|
BDBM269512 CCS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC |(6.57,.28,;6.57,-1.26,;5.23,-2.03,;4.46,-3.36,;6,-3.36,;3.9,-1.26,;2.57,-2.03,;2.09,-3.49,;.55,-3.49,;.07,-2.03,;-1.41,-1.63,;-1.81,-.14,;-3.3,.25,;-4.39,-.83,;-3.99,-2.32,;-5.08,-3.41,;-6.57,-3.01,;-2.5,-2.72,;1.32,-1.13,;1.32,.41,;2.65,1.18,;3.99,.41,;5.32,1.18,;2.65,2.72,;1.32,3.49,;-.01,2.72,;-.01,1.18,;-1.35,.41,;-2.68,1.18,)|
BDBM269513 CCS(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC |(5.82,.28,;5.82,-1.26,;4.49,-2.03,;3.72,-3.36,;5.26,-3.36,;3.16,-1.26,;1.82,-2.03,;1.35,-3.49,;-.19,-3.49,;-.67,-2.03,;-2.16,-1.63,;-2.56,-.14,;-4.04,.25,;-5.13,-.83,;-4.73,-2.32,;-5.82,-3.41,;-3.25,-2.72,;.58,-1.13,;.58,.41,;1.91,1.18,;3.24,.41,;4.58,1.18,;1.91,2.72,;.58,3.49,;-.76,2.72,;-.76,1.18,;-2.09,.41,;-3.43,1.18,)|
BDBM269514 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1ccccc1OC |r,wD:16.17,(-8.76,-4.2,;-9.16,-2.71,;-8.07,-1.62,;-8.47,-.13,;-7.38,.96,;-5.89,.56,;-5.49,-.93,;-6.58,-2.02,;-4,-1.33,;-3.53,-2.79,;-1.99,-2.79,;-1.51,-1.33,;-.18,-.56,;1.15,-1.33,;.38,-2.66,;1.92,-2.66,;2.49,-.56,;2.49,.98,;3.82,-1.33,;5.16,-.56,;6.49,-1.33,;7.82,-.56,;7.82,.98,;9.16,1.75,;6.49,1.75,;5.16,.98,;-2.76,-.42,;-2.76,1.12,;-1.42,1.89,;-1.42,3.43,;-2.76,4.2,;-4.09,3.43,;-4.09,1.89,;-5.43,1.12,;-6.76,1.89,)|
BDBM269515 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1c(C)noc1C |r,wD:16.17,(-8.76,-3.84,;-9.16,-2.35,;-8.07,-1.27,;-8.47,.22,;-7.38,1.31,;-5.89,.91,;-5.49,-.57,;-6.58,-1.66,;-4,-.97,;-3.53,-2.44,;-1.99,-2.44,;-1.51,-.97,;-.18,-.2,;1.15,-.97,;.38,-2.31,;1.92,-2.31,;2.49,-.2,;2.49,1.34,;3.82,-.97,;5.16,-.2,;6.49,-.97,;7.82,-.2,;7.82,1.34,;9.16,2.11,;6.49,2.11,;5.16,1.34,;-2.76,-.07,;-2.76,1.47,;-1.51,2.38,;-.18,1.61,;-1.99,3.84,;-3.53,3.84,;-4,2.38,;-5.34,1.61,)|
BDBM269586 COc1cccc(n1)-c1nnc(NS(=O)(=O)C(C)C)n1-c1c(OC)cccc1OC |(-7.23,-3.01,;-5.75,-3.41,;-4.66,-2.32,;-5.06,-.83,;-3.97,.25,;-2.48,-.14,;-2.08,-1.63,;-3.17,-2.72,;-.59,-2.03,;-.12,-3.49,;1.42,-3.49,;1.9,-2.03,;3.23,-1.26,;4.57,-2.03,;3.8,-3.36,;5.34,-3.36,;5.9,-1.26,;7.23,-2.03,;5.9,.28,;.65,-1.13,;.65,.41,;-.68,1.18,;-2.01,.41,;-3.35,1.18,;-.68,2.72,;.65,3.49,;1.99,2.72,;1.99,1.18,;3.32,.41,;4.65,1.18,)|
BDBM269587 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccnc(OC)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-4.68,.84,;-6.02,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;-.68,1.61,;.65,.84,;1.99,1.61,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269588 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccncc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(4.81,-3.92,;3.48,-3.15,;3.48,-1.61,;2.14,-.84,;2.14,.7,;.81,-1.61,;.04,-2.94,;1.58,-2.94,;-.52,-.84,;-1.86,-1.61,;-2.33,-3.07,;-3.87,-3.07,;-4.35,-1.61,;-5.84,-1.21,;-6.24,.28,;-7.72,.68,;-8.81,-.41,;-8.41,-1.9,;-6.93,-2.3,;-3.1,-.7,;-3.1,.84,;-4.44,1.61,;-5.77,.84,;-7.1,1.61,;-4.44,3.15,;-3.1,3.92,;-1.77,3.15,;-1.77,1.61,;-.44,.84,;.9,1.61,;4.81,-.84,;6.14,-1.61,;7.48,-.84,;7.48,.7,;8.81,1.47,;6.14,1.47,;4.81,.7,)|
BDBM269589 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM269716 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C(=O)N(C)C |r,wU:16.17,(-6.26,9.32,;-4.92,8.55,;-3.59,9.32,;-3.59,10.86,;-2.25,11.63,;-.92,10.86,;-.92,9.32,;.41,8.55,;1.75,9.32,;-2.25,8.55,;-2.25,7.01,;-1.01,6.1,;.32,6.87,;1.66,6.1,;.89,4.77,;2.43,4.77,;2.99,6.87,;2.99,8.41,;4.33,6.1,;5.66,6.87,;6.99,6.1,;8.33,6.87,;8.33,8.41,;9.66,9.18,;6.99,9.18,;5.66,8.41,;-1.48,4.64,;-3.02,4.64,;-3.5,6.1,;-5.04,6.1,;-5.81,7.44,;-7.35,7.44,;-8.12,6.1,;-7.35,4.77,;-5.81,4.77,;-8.12,3.44,;-9.66,3.44,;-7.35,2.1,;-5.81,2.1,;-8.12,.77,)|
BDBM269717 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C(=O)N(C)C |r,wU:16.17,(-6.26,9.27,;-4.92,8.5,;-3.59,9.27,;-3.59,10.81,;-2.25,11.58,;-.92,10.81,;-.92,9.27,;.41,8.5,;1.75,9.27,;-2.25,8.5,;-2.25,6.96,;-1.01,6.05,;.32,6.82,;1.66,6.05,;.89,4.72,;2.43,4.72,;2.99,6.82,;2.99,8.36,;4.33,6.05,;5.66,6.82,;6.99,6.05,;8.33,6.82,;8.33,8.36,;9.66,9.13,;6.99,9.13,;5.66,8.36,;-1.48,4.59,;-3.02,4.59,;-3.5,6.05,;-5.04,6.05,;-5.81,7.39,;-7.35,7.39,;-8.12,6.05,;-7.35,4.72,;-5.81,4.72,;-8.12,3.39,;-9.66,3.39,;-7.35,2.05,;-5.81,2.05,;-8.12,.72,)|
BDBM269771 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2nc(C)c(C)s2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(3.06,-4.2,;4.39,-4.97,;5.73,-4.2,;5.73,-2.66,;7.06,-1.89,;8.39,-2.66,;8.39,-4.2,;9.73,-4.97,;11.06,-4.2,;7.06,-4.97,;7.06,-6.51,;8.31,-7.41,;9.64,-6.64,;10.73,-7.73,;9.96,-9.06,;11.5,-9.06,;12.22,-7.33,;12.62,-5.84,;13.31,-8.42,;12.91,-9.91,;14.79,-8.02,;16.04,-8.93,;17.29,-8.02,;18.62,-8.79,;16.81,-6.56,;17.58,-5.22,;15.27,-6.56,;7.83,-8.88,;6.29,-8.88,;5.82,-7.41,;4.28,-7.41,;3.51,-8.74,;1.97,-8.74,;1.2,-7.41,;1.97,-6.08,;1.2,-4.74,;3.51,-6.08,)|
BDBM269772 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2nc(C)c(C)s2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(3.08,-3.98,;4.41,-4.75,;5.75,-3.98,;5.75,-2.44,;7.08,-1.67,;8.41,-2.44,;8.41,-3.98,;9.75,-4.75,;11.08,-3.98,;7.08,-4.75,;7.08,-6.29,;8.33,-7.2,;9.66,-6.43,;10.75,-7.52,;9.98,-8.85,;11.52,-8.85,;12.24,-7.12,;12.63,-5.63,;13.32,-8.21,;12.93,-9.7,;14.81,-7.81,;16.06,-8.72,;17.3,-7.81,;18.64,-8.58,;16.83,-6.35,;17.6,-5.01,;15.29,-6.35,;7.85,-8.66,;6.31,-8.66,;5.83,-7.2,;4.29,-7.2,;3.52,-8.53,;1.98,-8.53,;1.21,-7.2,;1.98,-5.87,;1.21,-4.53,;3.52,-5.87,)|
BDBM269773 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2nc(C)c(C)s2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(3.33,-4.18,;4.67,-4.95,;6,-4.18,;6,-2.64,;7.34,-1.87,;8.67,-2.64,;8.67,-4.18,;10,-4.95,;11.34,-4.18,;7.34,-4.95,;7.34,-6.49,;8.58,-7.4,;9.91,-6.63,;11,-7.72,;10.23,-9.05,;11.77,-9.05,;12.49,-7.32,;12.89,-5.83,;13.58,-8.41,;13.18,-9.89,;15.07,-8.01,;16.31,-8.91,;17.56,-8.01,;18.89,-8.78,;17.08,-6.54,;17.85,-5.21,;15.54,-6.54,;8.11,-8.86,;6.57,-8.86,;6.09,-7.4,;4.55,-7.4,;3.78,-8.73,;2.24,-8.73,;1.47,-7.4,;2.24,-6.06,;1.47,-4.73,;3.78,-6.06,)|
BDBM269871 COCCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:6.6,5.4,(6.56,-12.19,;6.56,-10.65,;5.22,-9.88,;5.22,-8.34,;3.89,-7.57,;3.89,-6.03,;2.55,-5.26,;2.55,-3.72,;1.22,-6.03,;.45,-7.36,;1.99,-7.36,;-.11,-5.26,;-1.45,-6.03,;-1.92,-7.49,;-3.46,-7.49,;-3.94,-6.03,;-5.34,-5.55,;-6.11,-6.88,;-7.65,-6.88,;-8.42,-5.55,;-7.65,-4.21,;-8.42,-2.88,;-6.11,-4.21,;-2.69,-5.12,;-2.69,-3.58,;-1.31,-2.84,;.02,-3.61,;1.36,-2.84,;-1.36,-1.27,;-2.69,-.5,;-4.03,-1.27,;-4.03,-2.81,;-5.36,-3.58,;-6.69,-2.81,;5.22,-5.26,;6.56,-6.03,;7.89,-5.26,;7.89,-3.72,;9.22,-2.95,;6.56,-2.95,;5.22,-3.72,)|
BDBM269872 COCCO[C@H]([C@@H](C)S(=O)(=O)\N=c1/n(C)nc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:6.6,5.4,(6.56,-23.88,;6.56,-22.34,;5.23,-21.57,;5.23,-20.03,;3.9,-19.26,;3.9,-17.72,;2.56,-16.95,;2.56,-15.41,;1.23,-17.72,;.46,-19.06,;2,-19.06,;-.11,-16.95,;-1.44,-17.72,;-1.9,-19.26,;-1.01,-20.52,;-3.46,-19.19,;-3.93,-17.72,;-5.34,-17.24,;-6.11,-18.58,;-7.65,-18.58,;-8.42,-17.24,;-7.65,-15.91,;-8.42,-14.57,;-6.11,-15.91,;-2.69,-16.82,;-2.69,-15.28,;-1.3,-14.54,;.03,-15.31,;1.36,-14.54,;-1.35,-12.97,;-2.69,-12.2,;-4.02,-12.97,;-4.02,-14.51,;-5.35,-15.28,;-6.69,-14.51,;5.23,-16.95,;6.56,-17.72,;7.9,-16.95,;7.9,-15.41,;9.23,-14.64,;6.56,-14.64,;5.23,-15.41,)|
BDBM269919 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wD:18.19,16.17,(2.17,-4.02,;1.08,-5.11,;-.4,-4.71,;-.8,-3.23,;-2.29,-2.83,;-3.38,-3.92,;-2.98,-5.4,;-4.07,-6.49,;-5.56,-6.09,;-1.49,-5.8,;-1.09,-7.29,;.37,-7.77,;1.7,-7,;3.04,-7.77,;2.27,-9.1,;4.37,-8.54,;3.81,-6.43,;3.04,-5.1,;5.35,-6.43,;6.12,-7.77,;6.12,-5.1,;7.66,-5.1,;8.43,-3.76,;7.66,-2.43,;8.43,-1.1,;6.12,-2.43,;5.35,-3.76,;.37,-9.31,;-1.09,-9.78,;-2,-8.54,;-3.54,-8.54,;-4.31,-7.2,;-5.85,-7.2,;-6.62,-8.54,;-5.85,-9.87,;-6.62,-11.2,;-4.31,-9.87,)|
BDBM269920 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wU:18.19,16.17,(1.27,2.13,;.18,1.04,;-1.31,1.44,;-1.71,2.92,;-3.19,3.32,;-4.28,2.23,;-3.88,.75,;-4.97,-.34,;-6.46,.06,;-2.4,.35,;-2,-1.14,;-.53,-1.62,;.8,-.85,;2.13,-1.62,;1.36,-2.95,;3.47,-2.39,;2.9,-.28,;2.13,1.05,;4.44,-.28,;5.21,-1.62,;5.21,1.05,;6.75,1.05,;7.52,2.39,;6.75,3.72,;7.52,5.05,;5.21,3.72,;4.44,2.39,;-.53,-3.16,;-2,-3.63,;-2.9,-2.39,;-4.44,-2.39,;-5.21,-1.05,;-6.75,-1.05,;-7.52,-2.39,;-6.75,-3.72,;-7.52,-5.05,;-5.21,-3.72,)|
BDBM269921 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(Cl)n1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;1.92,-3.33,;.38,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM269922 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(n1)-c1ccccc1 |r,wU:16.17,18.19,(-5.47,2.43,;-4.14,1.66,;-2.8,2.43,;-2.8,3.97,;-1.47,4.74,;-.14,3.97,;-.14,2.43,;1.2,1.66,;2.53,2.43,;-1.47,1.66,;-1.47,.12,;-.22,-.78,;1.11,-.01,;2.44,-.78,;3.21,-2.12,;1.67,-2.12,;3.78,-.01,;3.78,1.53,;5.11,-.78,;5.11,-2.32,;6.44,-.01,;7.78,-.78,;9.11,-.01,;9.11,1.53,;10.45,2.3,;7.78,2.3,;6.44,1.53,;-.7,-2.25,;-2.24,-2.25,;-2.72,-.78,;-4.2,-.39,;-4.6,1.1,;-6.09,1.5,;-7.18,.41,;-6.78,-1.08,;-5.29,-1.47,;-7.87,-2.16,;-9.36,-1.77,;-10.45,-2.86,;-10.05,-4.34,;-8.56,-4.74,;-7.47,-3.65,)|
BDBM269982 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(Cl)s2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.13,-9.77,;-8.53,-8.29,;-7.44,-7.2,;-7.84,-5.71,;-6.75,-4.62,;-5.26,-5.02,;-4.86,-6.51,;-5.95,-7.6,;-3.38,-6.9,;-2.9,-8.37,;-1.36,-8.37,;-.88,-6.9,;.45,-6.13,;1.78,-6.9,;1.01,-8.24,;2.55,-8.24,;3.12,-6.13,;4.45,-6.9,;4.45,-8.44,;5.78,-6.13,;5.78,-4.59,;7.25,-4.12,;8.15,-5.36,;9.49,-6.13,;7.25,-6.61,;-2.13,-6,;-2.13,-4.46,;-3.46,-3.69,;-4.8,-4.46,;-6.13,-3.69,;-3.46,-2.15,;-2.13,-1.38,;-.8,-2.15,;-.8,-3.69,;.54,-4.46,;1.87,-3.69,)|
BDBM269983 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(Cl)s2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.26,-9.77,;-8.66,-8.29,;-7.57,-7.2,;-7.97,-5.71,;-6.88,-4.62,;-5.39,-5.02,;-4.99,-6.51,;-6.08,-7.6,;-3.5,-6.9,;-3.03,-8.37,;-1.49,-8.37,;-1.01,-6.9,;.32,-6.13,;1.66,-6.9,;.89,-8.24,;2.43,-8.24,;2.99,-6.13,;4.32,-6.9,;4.32,-8.44,;5.66,-6.13,;5.66,-4.59,;7.12,-4.12,;8.03,-5.36,;9.36,-6.13,;7.12,-6.61,;-2.26,-6,;-2.26,-4.46,;-3.59,-3.69,;-4.92,-4.46,;-6.26,-3.69,;-3.59,-2.15,;-2.26,-1.38,;-.92,-2.15,;-.92,-3.69,;.41,-4.46,;1.74,-3.69,)|
BDBM269984 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ncc(Cl)s2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.85,-9.43,;-9.25,-7.94,;-8.16,-6.85,;-8.55,-5.37,;-7.47,-4.28,;-5.98,-4.68,;-5.58,-6.16,;-6.67,-7.25,;-4.09,-6.56,;-3.62,-8.03,;-2.08,-8.03,;-1.6,-6.56,;-.27,-5.79,;1.07,-6.56,;1.84,-7.9,;.3,-7.9,;2.4,-5.79,;3.73,-6.56,;3.73,-8.1,;5.07,-5.79,;5.07,-4.25,;6.53,-3.78,;7.44,-5.02,;8.77,-5.79,;6.53,-6.27,;-2.85,-5.66,;-2.85,-4.12,;-4.18,-3.35,;-5.51,-4.12,;-6.85,-3.35,;-4.18,-1.81,;-2.85,-1.04,;-1.51,-1.81,;-1.51,-3.35,;-.18,-4.12,;1.15,-3.35,)|
BDBM269985 CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)s1 |r,wD:2.1,(5.04,-8.87,;3.71,-8.1,;3.71,-6.56,;2.37,-5.79,;1.04,-6.56,;1.81,-7.9,;.27,-7.9,;-.29,-5.79,;-1.63,-6.56,;-2.1,-8.03,;-3.64,-8.03,;-4.12,-6.56,;-5.61,-6.16,;-6,-4.68,;-7.49,-4.28,;-8.58,-5.37,;-8.18,-6.85,;-9.27,-7.94,;-8.87,-9.43,;-6.7,-7.25,;-2.87,-5.66,;-2.87,-4.12,;-4.21,-3.35,;-5.54,-4.12,;-6.87,-3.35,;-4.21,-1.81,;-2.87,-1.04,;-1.54,-1.81,;-1.54,-3.35,;-.21,-4.12,;1.13,-3.35,;5.04,-5.79,;5.04,-4.25,;6.51,-3.78,;7.41,-5.02,;8.74,-5.79,;6.51,-6.27,)|
BDBM270046 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:4.4,3.2,(-3.63,-6.15,;-2.1,-6.31,;-1.2,-5.06,;.34,-5.22,;1.24,-3.98,;2.77,-4.14,;.61,-2.57,;-.79,-3.2,;2.02,-1.94,;-.01,-1.16,;.89,.08,;2.43,.08,;2.91,1.55,;1.66,2.45,;1.66,3.99,;.33,4.76,;.33,6.3,;1.66,7.07,;3,6.3,;4.33,7.07,;3,4.76,;.42,1.55,;-1.05,2.02,;-1.37,3.53,;-.22,4.56,;-.54,6.07,;-2.83,4.01,;-3.98,2.98,;-3.66,1.47,;-2.19,.99,;-1.87,-.51,;-3.02,-1.54,;.96,-6.63,;2.49,-6.79,;3.12,-8.2,;2.21,-9.44,;2.84,-10.85,;.68,-9.28,;.06,-7.87,)|
BDBM270049 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2cnc(C)cn2)nnc1-c1cccnc1 |r,wU:18.19,16.17,(-6.52,3.37,;-5.19,2.6,;-3.86,3.37,;-3.86,4.91,;-2.52,5.68,;-1.19,4.91,;-1.19,3.37,;.14,2.6,;1.48,3.37,;-2.52,2.6,;-2.52,.59,;-1.28,-.31,;.06,.46,;1.15,-.63,;2.23,.46,;.06,-1.72,;2.23,-1.72,;1.84,-3.21,;3.72,-1.32,;4.12,.16,;4.81,-2.41,;4.41,-3.9,;5.5,-4.99,;6.99,-4.59,;8.08,-5.68,;7.39,-3.1,;6.3,-2.01,;-1.75,-1.78,;-3.29,-1.78,;-3.77,-.31,;-5.1,.46,;-5.5,1.94,;-6.99,2.34,;-8.08,1.25,;-7.68,-.24,;-6.19,-.63,)|
BDBM270113 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(F)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,wD:3.3,(2.18,-3.92,;.85,-3.15,;.85,-1.61,;-.48,-.84,;-.48,.7,;-1.82,-1.61,;-2.59,-2.94,;-1.05,-2.94,;-3.15,-.84,;-4.48,-1.61,;-4.96,-3.07,;-6.5,-3.07,;-6.98,-1.61,;-8.46,-1.21,;-8.86,.28,;-10.35,.68,;-11.44,-.41,;-11.04,-1.9,;-12.13,-2.99,;-13.62,-2.59,;-9.55,-2.3,;-5.73,-.7,;-5.73,.84,;-7.06,1.61,;-8.4,.84,;-7.06,3.15,;-5.73,3.92,;-4.4,3.15,;-4.4,1.61,;-3.06,.84,;-1.73,1.61,;2.18,-.84,;3.52,-1.61,;4.85,-.84,;4.85,.7,;6.19,1.47,;3.52,1.47,;2.18,.7,)|
BDBM270114 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(1.24,1.22,;-.09,.45,;-1.42,1.22,;-1.42,2.76,;-2.76,3.53,;-4.09,2.76,;-4.09,1.22,;-5.43,.45,;-6.76,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
BDBM270115 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.9,1.22,;-.44,.45,;-1.77,1.22,;-1.77,2.76,;-3.1,3.53,;-4.44,2.76,;-4.44,1.22,;-5.77,.45,;-7.1,1.22,;-3.1,.45,;-3.1,-1.09,;-1.86,-1.99,;-.52,-1.22,;.81,-1.99,;.04,-3.33,;1.58,-3.33,;2.14,-1.22,;2.14,.32,;3.48,-1.99,;3.48,-3.53,;4.81,-1.22,;6.14,-1.99,;7.48,-1.22,;7.48,.32,;8.81,1.09,;6.14,1.09,;4.81,.32,;-2.33,-3.46,;-3.87,-3.46,;-4.35,-1.99,;-5.84,-1.59,;-6.24,-.11,;-7.72,.29,;-8.81,-.8,;-8.41,-2.28,;-6.93,-2.68,)|
BDBM270116 COc1cnc(nc1)[C@@H](C)[C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC |r,wU:10.11,8.9,(7.2,.32,;5.87,1.09,;4.54,.32,;4.54,-1.22,;3.2,-1.99,;1.87,-1.22,;1.87,.32,;3.2,1.09,;.54,-1.99,;.54,-3.53,;-.8,-1.22,;-.8,.32,;-2.13,-1.99,;-2.9,-3.33,;-1.36,-3.33,;-3.47,-1.22,;-4.8,-1.99,;-5.28,-3.46,;-6.82,-3.46,;-7.29,-1.99,;-8.78,-1.59,;-9.18,-.11,;-10.66,.29,;-11.75,-.8,;-11.35,-2.28,;-12.44,-3.37,;-9.87,-2.68,;-6.05,-1.09,;-6.05,.45,;-4.71,1.22,;-3.38,.45,;-2.04,1.22,;-4.71,2.76,;-6.05,3.53,;-7.38,2.76,;-7.38,1.22,;-8.71,.45,;-10.05,1.22,)|
BDBM270177 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2ccc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.24,2.38,;-.09,1.61,;-1.42,2.38,;-1.42,3.92,;-2.76,4.69,;-4.09,3.92,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;5.16,-.07,;5.16,1.47,;6.49,2.24,;7.82,1.47,;9.16,2.24,;7.82,-.07,;6.49,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
BDBM270180 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(-7.1,2.38,;-5.77,1.61,;-4.44,2.38,;-4.44,3.92,;-3.1,4.69,;-1.77,3.92,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-3.1,1.61,;-3.1,.07,;-1.86,-.84,;-.52,-.07,;.81,-.84,;1.58,-2.17,;.04,-2.17,;2.14,-.07,;2.14,1.47,;3.48,-.84,;3.48,-2.38,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-8.12,2.93,;-6.24,1.05,)|
BDBM269516 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccnc1)c1ncc(C)cn1 |r|
BDBM269517 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccccc1)c1ncc(C)cn1 |r|
BDBM269518 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(7.52,-1.62,;5.98,-1.62,;5.21,-.28,;3.67,-.28,;2.9,1.05,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;1.57,-.85,;.24,-1.62,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,;-1.23,-1.14,;-1.63,.35,;-.54,1.44,;.95,1.04,;2.04,2.13,;-.94,2.92,;-2.42,3.32,;-3.51,2.23,;-3.11,.75,;-4.2,-.34,;-5.69,.06,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,)|
BDBM269519 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(7.52,-1.62,;5.98,-1.62,;5.21,-.28,;3.67,-.28,;2.9,1.05,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;1.57,-.85,;.24,-1.62,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,;-1.23,-1.14,;-1.63,.35,;-.54,1.44,;.95,1.04,;1.72,2.37,;-.94,2.92,;-2.42,3.32,;-3.51,2.23,;-3.11,.75,;-4.2,-.34,;-5.69,.06,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,)|
BDBM269520 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(8.29,-.95,;6.75,-.95,;5.98,.38,;4.44,.38,;3.67,1.72,;3.67,-.95,;2.9,-2.28,;5.01,-1.72,;2.34,-.18,;1.01,-.95,;1.01,-2.49,;-.46,-2.96,;-1.36,-1.72,;-2.9,-1.72,;-3.67,-.39,;-5.21,-.39,;-5.98,-1.72,;-5.21,-3.05,;-5.98,-4.39,;-7.52,-4.39,;-3.67,-3.05,;-.46,-.47,;-.86,1.01,;.23,2.1,;1.72,1.71,;2.49,3.04,;-.17,3.59,;-1.65,3.99,;-2.74,2.9,;-2.34,1.41,;-3.43,.32,;-4.92,.72,;6.75,1.72,;8.29,1.72,;9.06,3.05,;8.29,4.39,;9.06,5.72,;6.75,4.39,;5.98,3.05,)|
BDBM269590 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccnc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM269591 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(OC)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.21,-3.92,;3.88,-3.15,;3.88,-1.61,;2.54,-.84,;2.54,.7,;1.21,-1.61,;.44,-2.94,;1.98,-2.94,;-.13,-.84,;-1.46,-1.61,;-1.93,-3.07,;-3.47,-3.07,;-3.95,-1.61,;-5.44,-1.21,;-6.53,-2.3,;-8.01,-1.9,;-8.41,-.41,;-7.32,.68,;-7.72,2.16,;-9.21,2.56,;-5.84,.28,;-2.7,-.7,;-2.7,.84,;-4.04,1.61,;-5.37,.84,;-6.71,1.61,;-4.04,3.15,;-2.7,3.92,;-1.37,3.15,;-1.37,1.61,;-.04,.84,;1.3,1.61,;5.21,-.84,;6.54,-1.61,;7.88,-.84,;7.88,.7,;9.21,1.47,;6.54,1.47,;5.21,.7,)|
BDBM269654 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(=O)[nH]1 |r,wU:16.17,18.19,(.98,1.79,;-.36,1.02,;-1.69,1.79,;-1.69,3.33,;-3.02,4.1,;-4.36,3.33,;-4.36,1.79,;-5.69,1.02,;-7.03,1.79,;-3.02,1.02,;-3.02,-.52,;-1.78,-1.43,;-.45,-.66,;.89,-1.43,;.12,-2.76,;1.66,-2.76,;2.22,-.66,;2.22,.88,;3.56,-1.43,;3.56,-2.97,;4.89,-.66,;6.22,-1.43,;7.56,-.66,;7.56,.88,;8.89,1.65,;6.22,1.65,;4.89,.88,;-2.25,-2.89,;-3.79,-2.89,;-4.27,-1.43,;-5.81,-1.43,;-6.58,-.1,;-8.12,-.1,;-8.89,-1.43,;-8.12,-2.76,;-8.89,-4.1,;-6.58,-2.76,)|
BDBM269718 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cccc(n1)C(=O)N(C)C |r,wU:16.17,(-6.26,9.25,;-4.92,8.48,;-3.59,9.25,;-3.59,10.79,;-2.25,11.56,;-.92,10.79,;-.92,9.25,;.41,8.48,;1.75,9.25,;-2.25,8.48,;-2.25,6.94,;-1.01,6.03,;.32,6.8,;1.66,6.03,;.89,4.7,;2.43,4.7,;2.99,6.8,;2.99,8.34,;4.33,6.03,;5.66,6.8,;6.99,6.03,;8.33,6.8,;8.33,8.34,;9.66,9.11,;6.99,9.11,;5.66,8.34,;-1.48,4.57,;-3.02,4.57,;-3.5,6.03,;-5.04,6.03,;-5.81,7.36,;-7.35,7.36,;-8.12,6.03,;-7.35,4.7,;-5.81,4.7,;-8.12,3.36,;-9.66,3.36,;-7.35,2.03,;-5.81,2.03,;-8.12,.7,)|
BDBM269719 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(.82,-12.76,;-.51,-13.53,;-1.85,-12.76,;-1.85,-11.22,;-3.18,-10.45,;-4.52,-11.22,;-4.52,-12.76,;-5.85,-13.53,;-7.18,-12.76,;-3.18,-13.53,;-3.18,-15.07,;-1.94,-15.98,;-.6,-15.21,;.73,-15.98,;-.04,-17.31,;1.5,-17.31,;2.06,-15.21,;2.06,-13.67,;3.4,-15.98,;3.4,-17.52,;4.73,-15.21,;6.07,-15.98,;7.4,-15.21,;7.4,-13.67,;8.73,-12.9,;6.07,-12.9,;4.73,-13.67,;-2.41,-17.44,;-3.95,-17.44,;-4.43,-15.98,;-5.97,-15.98,;-6.74,-17.31,;-8.28,-17.31,;-9.05,-15.98,;-8.28,-14.65,;-9.05,-13.31,;-6.74,-14.65,)|
BDBM269776 CO[C@H]([C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1nc(C)c(C)s1 |r|
BDBM269923 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1C1=CC=CC(c2ccccc2)=[N]1O |r,wU:16.17,18.19,c:35,44,t:33,(-5.47,2.43,;-4.14,1.66,;-2.8,2.43,;-2.8,3.97,;-1.47,4.74,;-.14,3.97,;-.14,2.43,;1.2,1.66,;2.53,2.43,;-1.47,1.66,;-1.47,.12,;-.22,-.78,;1.11,-.01,;2.44,-.78,;3.21,-2.12,;1.67,-2.12,;3.78,-.01,;3.78,1.53,;5.11,-.78,;5.11,-2.32,;6.44,-.01,;7.78,-.78,;9.11,-.01,;9.11,1.53,;10.45,2.3,;7.78,2.3,;6.44,1.53,;-.7,-2.25,;-2.24,-2.25,;-2.72,-.78,;-4.2,-.39,;-4.6,1.1,;-6.09,1.5,;-7.18,.41,;-6.78,-1.08,;-7.87,-2.16,;-9.36,-1.77,;-10.45,-2.86,;-10.05,-4.34,;-8.56,-4.74,;-7.47,-3.65,;-5.29,-1.47,;-4.89,-2.96,)|
BDBM269924 COc1cccc(OC)c1-n1c(nnc1-c1cncc(C)c1)N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)c1ccc(Cl)cc1S(C)(=O)=O |r,wD:33.36,(-6.33,-4.54,;-4.99,-5.31,;-3.66,-4.54,;-3.66,-3,;-2.33,-2.23,;-.99,-3,;-.99,-4.54,;.34,-5.31,;1.67,-4.54,;-2.33,-5.31,;-2.33,-6.85,;-1.08,-7.76,;-1.56,-9.22,;-3.1,-9.22,;-3.57,-7.76,;-5.06,-7.36,;-5.46,-5.87,;-6.95,-5.47,;-8.04,-6.56,;-7.64,-8.05,;-8.73,-9.14,;-6.15,-8.45,;.25,-6.99,;-.52,-8.32,;.25,-9.65,;-.52,-10.99,;-1.85,-10.22,;.82,-11.76,;-1.29,-12.32,;1.59,-7.76,;2.36,-9.09,;.82,-9.09,;2.92,-6.99,;4.25,-7.76,;4.25,-9.3,;5.59,-6.99,;6.92,-7.76,;8.25,-6.99,;8.25,-5.45,;9.59,-4.68,;6.92,-4.68,;5.59,-5.45,;4.25,-4.68,;2.92,-5.45,;5.02,-3.34,;3.48,-3.34,)|
BDBM269988 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)ccnc1OC |r,wU:16.17,18.19,(-8.49,-10.33,;-8.89,-8.85,;-7.8,-7.76,;-8.2,-6.27,;-7.11,-5.18,;-5.62,-5.58,;-5.22,-7.07,;-6.31,-8.15,;-3.74,-7.46,;-3.26,-8.93,;-1.72,-8.93,;-1.24,-7.46,;.09,-6.69,;1.42,-7.46,;.65,-8.8,;2.19,-8.8,;2.76,-6.69,;2.76,-5.15,;4.09,-7.46,;4.09,-9,;5.43,-6.69,;6.76,-7.46,;8.09,-6.69,;8.09,-5.15,;9.43,-4.38,;6.76,-4.38,;5.43,-5.15,;-2.49,-6.56,;-2.49,-5.02,;-3.82,-4.25,;-5.16,-5.02,;-6.49,-4.25,;-3.82,-2.71,;-2.49,-1.94,;-1.16,-2.71,;-1.16,-4.25,;.18,-5.02,;1.51,-4.25,)|
BDBM269989 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cc[nH]c1=O |r,wU:18.19,16.17,(-8.92,-10.62,;-9.31,-9.13,;-8.23,-8.04,;-8.62,-6.56,;-7.53,-5.47,;-6.05,-5.87,;-5.65,-7.35,;-6.74,-8.44,;-4.16,-7.75,;-3.69,-9.22,;-2.15,-9.22,;-1.67,-7.75,;-.34,-6.98,;1,-7.75,;1.77,-9.09,;.23,-9.09,;2.33,-6.98,;2.33,-5.44,;3.67,-7.75,;3.67,-9.29,;5,-6.98,;6.33,-7.75,;7.67,-6.98,;7.67,-5.44,;9,-4.67,;6.33,-4.67,;5,-5.44,;-2.92,-6.85,;-2.92,-5.31,;-4.25,-4.54,;-5.58,-5.31,;-6.92,-4.54,;-4.25,-3,;-2.92,-2.23,;-1.58,-3,;-1.58,-4.54,;-.25,-5.31,)|
BDBM270050 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2cnc(C)cn2)nnc1-c1cccnc1 |r,wD:18.19,16.17,(-6.52,3.37,;-5.19,2.6,;-3.86,3.37,;-3.86,4.91,;-2.52,5.68,;-1.19,4.91,;-1.19,3.37,;.14,2.6,;1.48,3.37,;-2.52,2.6,;-2.52,.59,;-1.28,-.31,;.06,.46,;1.15,-.63,;2.23,.46,;.06,-1.72,;2.23,-1.72,;1.84,-3.21,;3.72,-1.32,;4.12,.16,;4.81,-2.41,;4.41,-3.9,;5.5,-4.99,;6.99,-4.59,;8.08,-5.68,;7.39,-3.1,;6.3,-2.01,;-1.75,-1.78,;-3.29,-1.78,;-3.77,-.31,;-5.1,.46,;-5.5,1.94,;-6.99,2.34,;-8.08,1.25,;-7.68,-.24,;-6.19,-.63,)|
BDBM270051 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wU:18.19,16.17,(-5.6,-6.44,;-4.27,-7.21,;-2.94,-6.44,;-2.94,-4.9,;-1.6,-4.13,;-.27,-4.9,;-.27,-6.44,;1.06,-7.21,;2.4,-6.44,;-1.6,-7.21,;-1.6,-9.22,;-.36,-10.12,;.98,-9.35,;2.31,-10.12,;3.64,-10.89,;.98,-10.89,;3.64,-9.35,;3.64,-7.81,;4.98,-10.12,;4.98,-11.66,;6.31,-9.35,;6.31,-7.81,;7.65,-7.04,;8.98,-7.81,;10.31,-7.04,;8.98,-9.35,;7.65,-10.12,;-.83,-11.59,;-2.37,-11.59,;-2.85,-10.12,;-4.18,-9.35,;-4.95,-8.02,;-6.49,-8.02,;-7.26,-9.35,;-6.49,-10.69,;-4.95,-10.69,)|
BDBM270117 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(Cl)cn2)nnc1-c1cccnc1 |r,wU:16.17,wD:18.19,(-2.04,1.22,;-3.38,.45,;-4.71,1.22,;-4.71,2.76,;-6.05,3.53,;-7.38,2.76,;-7.38,1.22,;-8.71,.45,;-10.05,1.22,;-6.05,.45,;-6.05,-1.09,;-4.8,-1.99,;-3.47,-1.22,;-2.13,-1.99,;-2.9,-3.33,;-1.36,-3.33,;-.8,-1.22,;-.8,.32,;.54,-1.99,;.54,-3.53,;1.87,-1.22,;3.2,-1.99,;4.54,-1.22,;4.54,.32,;5.87,1.09,;3.2,1.09,;1.87,.32,;-5.28,-3.46,;-6.82,-3.46,;-7.29,-1.99,;-8.78,-1.59,;-9.87,-2.68,;-11.35,-2.28,;-11.75,-.8,;-10.66,.29,;-9.18,-.11,)|
BDBM270118 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:3.3,2.1,(3.28,-3.92,;1.95,-3.15,;1.95,-1.61,;.61,-.84,;.61,.7,;-.72,-1.61,;-1.49,-2.94,;.05,-2.94,;-2.05,-.84,;-3.39,-1.61,;-3.86,-3.07,;-5.4,-3.07,;-5.88,-1.61,;-7.37,-1.21,;-7.76,.28,;-9.25,.68,;-10.34,-.41,;-9.94,-1.9,;-11.03,-2.99,;-12.52,-2.59,;-8.45,-2.3,;-4.63,-.7,;-4.63,.84,;-5.97,1.61,;-7.3,.84,;-5.97,3.15,;-4.63,3.92,;-3.3,3.15,;-3.3,1.61,;-1.97,.84,;3.28,-.84,;4.62,-1.61,;5.95,-.84,;5.95,.7,;7.28,1.47,;4.62,1.47,;3.28,.7,)|
BDBM270119 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(OC)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(3.28,-3.92,;1.95,-3.15,;1.95,-1.61,;.61,-.84,;.61,.7,;-.72,-1.61,;-1.49,-2.94,;.05,-2.94,;-2.05,-.84,;-3.39,-1.61,;-3.86,-3.07,;-5.4,-3.07,;-5.88,-1.61,;-7.37,-1.21,;-7.76,.28,;-9.25,.68,;-10.34,-.41,;-9.94,-1.9,;-11.03,-2.99,;-12.52,-2.59,;-8.45,-2.3,;-4.63,-.7,;-4.63,.84,;-3.3,1.61,;-1.97,.84,;-.63,1.61,;-3.3,3.15,;-4.63,3.92,;-5.97,3.15,;-5.97,1.61,;-7.3,.84,;-8.63,1.61,;3.28,-.84,;4.62,-1.61,;5.95,-.84,;5.95,.7,;7.28,1.47,;4.62,1.47,;3.28,.7,)|
BDBM270120 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-.63,1.61,;-1.97,.84,;-3.3,1.61,;-3.3,3.15,;-4.63,3.92,;-5.97,3.15,;-5.97,1.61,;-7.3,.84,;-8.63,1.61,;-4.63,.84,;-4.63,-.7,;-3.39,-1.61,;-2.05,-.84,;-.72,-1.61,;-1.49,-2.94,;.05,-2.94,;.61,-.84,;.61,.7,;1.95,-1.61,;1.95,-3.15,;3.28,-.84,;4.62,-1.61,;5.95,-.84,;5.95,.7,;7.28,1.47,;4.62,1.47,;3.28,.7,;-3.86,-3.07,;-5.4,-3.07,;-5.88,-1.61,;-7.37,-1.21,;-7.76,.28,;-9.25,.68,;-10.34,-.41,;-9.94,-1.9,;-11.03,-2.99,;-8.45,-2.3,)|
BDBM270181 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(cn1)C1=CCOCC1 |r,wU:2.1,3.3,t:41,(3.42,-3.85,;2.08,-3.08,;2.08,-1.54,;.75,-.77,;.75,.77,;-.58,-1.54,;-1.35,-2.87,;.19,-2.87,;-1.92,-.77,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-7.11,-1.91,;-8.2,-3,;-9.69,-2.6,;-10.08,-1.11,;-9,-.03,;-9.39,1.46,;-7.51,-.42,;-4.72,-1.06,;-5.12,.42,;-4.03,1.51,;-2.54,1.11,;-1.45,2.2,;-4.43,3,;-5.91,3.4,;-7,2.31,;-6.6,.82,;-8.09,.42,;-8.49,1.91,;3.42,-.77,;4.75,-1.54,;6.08,-.77,;6.08,.77,;4.75,1.54,;3.42,.77,;7.42,1.54,;7.42,3.08,;8.75,3.85,;10.08,3.08,;10.08,1.54,;8.75,.77,)|
BDBM270182 COC1CN(C1)[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(C2=CC=CN(C2)OC)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:6.6,7.8,c:20,t:18,(5.53,-14.42,;4.2,-13.65,;4.2,-12.11,;3.11,-11.02,;4.2,-9.93,;5.29,-11.02,;4.2,-8.39,;2.87,-7.62,;2.87,-6.08,;1.53,-8.39,;.76,-9.72,;2.3,-9.72,;.2,-7.62,;-1.13,-8.39,;-1.13,-9.93,;-2.6,-10.4,;-3.5,-9.16,;-5.04,-9.16,;-5.81,-7.82,;-7.35,-7.82,;-8.12,-9.16,;-7.35,-10.49,;-5.81,-10.49,;-8.12,-11.83,;-9.66,-11.83,;-2.6,-7.91,;-3,-6.43,;-1.91,-5.34,;-.42,-5.73,;.67,-4.65,;-2.31,-3.85,;-3.79,-3.45,;-4.88,-4.54,;-4.49,-6.03,;-5.97,-6.43,;-6.37,-4.94,;5.53,-7.62,;6.87,-8.39,;8.2,-7.62,;8.2,-6.08,;9.53,-5.31,;6.87,-5.31,;5.53,-6.08,)|
BDBM270183 COC1CN(C1)[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(C2=CC=CN(C2)OC)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:6.6,wD:7.8,c:20,t:18,(5.53,-14.42,;4.2,-13.65,;4.2,-12.11,;3.11,-11.02,;4.2,-9.93,;5.29,-11.02,;4.2,-8.39,;2.87,-7.62,;2.87,-6.08,;1.53,-8.39,;.76,-9.72,;2.3,-9.72,;.2,-7.62,;-1.13,-8.39,;-1.13,-9.93,;-2.6,-10.4,;-3.5,-9.16,;-5.04,-9.16,;-5.81,-7.82,;-7.35,-7.82,;-8.12,-9.16,;-7.35,-10.49,;-5.81,-10.49,;-8.12,-11.83,;-9.66,-11.83,;-2.6,-7.91,;-3,-6.43,;-1.91,-5.34,;-.42,-5.73,;.67,-4.65,;-2.31,-3.85,;-3.79,-3.45,;-4.88,-4.54,;-4.49,-6.03,;-5.97,-6.43,;-6.37,-4.94,;5.53,-7.62,;6.87,-8.39,;8.2,-7.62,;8.2,-6.08,;9.53,-5.31,;6.87,-5.31,;5.53,-6.08,)|
BDBM270184 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(cn1)-c1cccnc1 |r,wU:2.1,3.3,(3.43,-3.85,;2.08,-3.08,;2.08,-1.54,;.75,-.77,;.75,.77,;-.58,-1.54,;-1.35,-2.87,;.19,-2.87,;-1.92,-.77,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-7.11,-1.91,;-8.2,-3,;-9.69,-2.6,;-10.08,-1.11,;-9,-.03,;-9.39,1.46,;-7.51,-.42,;-4.72,-1.06,;-5.12,.42,;-4.03,1.51,;-2.54,1.11,;-1.45,2.2,;-4.43,3,;-5.91,3.4,;-7,2.31,;-6.6,.82,;-8.09,.42,;-8.49,1.91,;3.42,-.77,;4.75,-1.54,;6.08,-.77,;6.08,.77,;4.75,1.54,;3.42,.77,;7.42,1.54,;7.42,3.08,;8.75,3.85,;10.08,3.08,;10.08,1.54,;8.75,.77,)|
BDBM269720 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(.85,-12.76,;-.49,-13.53,;-1.82,-12.76,;-1.82,-11.22,;-3.16,-10.45,;-4.49,-11.22,;-4.49,-12.76,;-5.82,-13.53,;-7.16,-12.76,;-3.16,-13.53,;-3.16,-15.07,;-1.91,-15.98,;-.58,-15.21,;.76,-15.98,;-.01,-17.31,;1.53,-17.31,;2.09,-15.21,;2.09,-13.67,;3.43,-15.98,;3.43,-17.52,;4.76,-15.21,;6.09,-15.98,;7.43,-15.21,;7.43,-13.67,;8.76,-12.9,;6.09,-12.9,;4.76,-13.67,;-2.39,-17.44,;-3.93,-17.44,;-4.4,-15.98,;-5.94,-15.98,;-6.71,-17.31,;-8.25,-17.31,;-9.02,-15.98,;-8.25,-14.65,;-9.02,-13.31,;-6.71,-14.65,)|
BDBM269521 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(8.29,-.95,;6.75,-.95,;5.98,.38,;4.44,.38,;3.67,1.72,;3.67,-.95,;2.9,-2.28,;5.01,-1.72,;2.34,-.18,;1.01,-.95,;1.01,-2.49,;-.46,-2.96,;-1.36,-1.72,;-2.9,-1.72,;-3.67,-.39,;-5.21,-.39,;-5.98,-1.72,;-5.21,-3.05,;-5.98,-4.39,;-7.52,-4.39,;-3.67,-3.05,;-.46,-.47,;-.86,1.01,;.23,2.1,;1.72,1.71,;2.81,2.79,;-.17,3.59,;-1.65,3.99,;-2.74,2.9,;-2.34,1.41,;-3.43,.32,;-4.92,.72,;6.75,1.72,;8.29,1.72,;9.06,3.05,;8.29,4.39,;9.06,5.72,;6.75,4.39,;5.98,3.05,)|
BDBM269522 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(C)cn1 |r|
BDBM269523 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cc(C)ccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(7.52,-1.62,;5.98,-1.62,;5.21,-.28,;3.67,-.28,;2.9,1.05,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;1.57,-.85,;.24,-1.62,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,;-1.23,-1.14,;-1.63,.35,;-3.11,.75,;-3.51,2.23,;-5,2.63,;-2.42,3.32,;-.94,2.92,;-.54,1.44,;.95,1.04,;2.04,2.13,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,)|
BDBM269524 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC(F)F)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:3.3,2.1,(7.52,-1.62,;5.98,-1.62,;5.21,-.28,;3.67,-.28,;2.9,1.05,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;1.57,-.85,;.24,-1.62,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,;-1.23,-1.14,;-1.63,.35,;-3.11,.75,;-4.2,-.34,;-5.69,.06,;-6.78,-1.03,;-6.09,1.54,;-3.51,2.23,;-2.42,3.32,;-.94,2.92,;-.54,1.44,;.95,1.04,;2.04,2.13,;1.64,3.61,;3.58,2.13,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,)|
BDBM269594 CCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:4.4,3.2,(4.86,-4.69,;4.86,-3.15,;3.53,-2.38,;3.53,-.84,;2.2,-.07,;2.2,1.47,;.86,-.84,;.09,-2.17,;1.63,-2.17,;-.47,-.07,;-1.81,-.84,;-2.28,-2.3,;-3.82,-2.3,;-4.3,-.84,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-8.09,-1.77,;-6.55,-1.77,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,)|
BDBM269595 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,3.2,(4.86,-4.69,;4.86,-3.15,;3.53,-2.38,;3.53,-.84,;2.2,-.07,;2.2,1.47,;.86,-.84,;.09,-2.17,;1.63,-2.17,;-.47,-.07,;-1.81,-.84,;-2.28,-2.3,;-3.82,-2.3,;-4.3,-.84,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-8.09,-1.77,;-6.55,-1.77,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,)|
BDBM269658 CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;2.22,-2.41,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269659 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.22,-3.92,;3.56,-3.15,;3.56,-1.61,;2.22,-.84,;2.22,.7,;.89,-1.61,;.12,-2.94,;1.66,-2.94,;-.45,-.84,;-1.78,-1.61,;-2.25,-3.07,;-3.79,-3.07,;-4.27,-1.61,;-5.81,-1.61,;-6.58,-.27,;-8.12,-.27,;-8.89,-1.61,;-8.12,-2.94,;-6.58,-2.94,;-3.02,-.7,;-3.02,.84,;-1.69,1.61,;-.36,.84,;.98,1.61,;-1.69,3.15,;-3.02,3.92,;-4.36,3.15,;-4.36,1.61,;-5.69,.84,;-7.03,1.61,;4.89,-.84,;6.22,-1.61,;7.56,-.84,;7.56,.7,;8.89,1.47,;6.22,1.47,;4.89,.7,)|
BDBM269660 CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;2.22,-3.07,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269661 CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269723 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(.85,-12.76,;-.49,-13.53,;-1.82,-12.76,;-1.82,-11.22,;-3.16,-10.45,;-4.49,-11.22,;-4.49,-12.76,;-5.82,-13.53,;-7.16,-12.76,;-3.16,-13.53,;-3.16,-15.07,;-1.91,-15.98,;-.58,-15.21,;.76,-15.98,;-.01,-17.31,;1.53,-17.31,;2.09,-15.21,;2.09,-13.67,;3.43,-15.98,;3.43,-17.52,;4.76,-15.21,;6.09,-15.98,;7.43,-15.21,;7.43,-13.67,;8.76,-12.9,;6.09,-12.9,;4.76,-13.67,;-2.39,-17.44,;-3.93,-17.44,;-4.4,-15.98,;-5.94,-15.98,;-6.71,-17.31,;-8.25,-17.31,;-9.02,-15.98,;-8.25,-14.65,;-9.02,-13.31,;-6.71,-14.65,)|
BDBM269724 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(3.26,-3.14,;1.72,-2.98,;.82,-4.22,;-.71,-4.06,;-1.62,-5.31,;-1.34,-2.66,;-2.75,-3.28,;.07,-2.03,;-1.97,-1.25,;-1.06,-0,;.48,-0,;.96,1.46,;-.29,2.37,;-.29,3.91,;1.04,4.68,;1.04,6.22,;-.29,6.99,;-1.62,6.22,;-2.96,6.99,;-4.29,6.22,;-1.62,4.68,;-1.54,1.46,;-3,1.94,;-4.15,.91,;-3.82,-.6,;-4.97,-1.63,;-5.61,1.38,;-5.93,2.89,;-4.79,3.92,;-3.32,3.44,;-2.18,4.47,;-2.5,5.98,;1.45,-5.63,;2.98,-5.79,;3.6,-7.2,;2.7,-8.44,;3.32,-9.85,;1.17,-8.28,;.54,-6.88,)|
BDBM269779 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1nc(C)c(C)s1 |r,wU:3.3,wD:2.1,(14.49,-10.89,;13.4,-9.8,;13.8,-8.31,;12.71,-7.22,;13.1,-5.74,;11.22,-7.62,;11.96,-8.91,;10.47,-8.91,;9.91,-6.93,;8.42,-7.33,;7.95,-8.8,;6.41,-8.8,;5.93,-7.33,;4.39,-7.33,;3.62,-8.67,;2.08,-8.67,;1.31,-7.33,;2.08,-6,;1.28,-4.62,;3.62,-6,;7.18,-6.43,;7.18,-4.89,;5.84,-4.12,;4.51,-4.89,;3.17,-4.12,;5.84,-2.58,;7.18,-1.81,;8.51,-2.58,;8.51,-4.12,;9.84,-4.89,;11.18,-4.12,;15.28,-7.91,;16.53,-8.82,;17.77,-7.91,;19.11,-8.68,;17.3,-6.45,;18.07,-5.12,;15.76,-6.45,)|
BDBM269782 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](O)c2cnc(OC)cn2)cc1 |r|
BDBM269822 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-6.23,-12.46,;-4.9,-13.23,;-3.56,-12.46,;-3.56,-10.92,;-2.23,-10.15,;-.9,-10.92,;-.9,-12.46,;.44,-13.23,;1.77,-12.46,;-2.23,-13.23,;-2.23,-14.77,;-.99,-15.68,;.5,-15.28,;1.59,-16.37,;.5,-17.46,;2.68,-17.46,;2.68,-15.28,;2.28,-13.79,;4.17,-15.68,;4.57,-17.17,;5.26,-14.59,;4.86,-13.1,;5.95,-12.01,;7.47,-12.37,;8.56,-11.28,;7.83,-13.9,;6.74,-14.99,;-1.46,-17.14,;-3,-17.14,;-3.48,-15.68,;-4.96,-15.28,;-5.36,-13.79,;-6.85,-13.39,;-7.94,-14.48,;-7.54,-15.97,;-8.63,-17.06,;-6.05,-16.37,)|
BDBM269927 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C=C)cc1
BDBM269928 COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(F)cc2[N+]#[C-])nnc1-c1cccc(=O)[nH]1 |(.98,1.79,;-.36,1.02,;-1.69,1.79,;-1.69,3.33,;-3.02,4.1,;-4.36,3.33,;-4.36,1.79,;-5.69,1.02,;-7.03,1.79,;-3.02,1.02,;-3.02,-.52,;-1.78,-1.43,;-.45,-.66,;.89,-1.43,;.12,-2.76,;1.66,-2.76,;2.22,-.66,;3.56,-1.43,;4.89,-.66,;6.22,-1.43,;7.56,-.66,;7.56,.88,;8.89,1.65,;6.22,1.65,;4.82,.97,;3.49,1.75,;2.17,2.54,;-2.25,-2.89,;-3.79,-2.89,;-4.27,-1.43,;-5.81,-1.43,;-6.58,-.1,;-8.12,-.1,;-8.89,-1.43,;-8.12,-2.76,;-8.89,-4.1,;-6.58,-2.76,)|
BDBM269929 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wD:16.16,18.19,(.75,-4.8,;-.58,-5.57,;-1.91,-4.8,;-1.91,-3.26,;-3.25,-2.49,;-4.58,-3.26,;-4.58,-4.8,;-5.91,-5.57,;-7.25,-4.8,;-3.25,-5.57,;-3.25,-7.11,;-2,-8.02,;-.67,-7.25,;.67,-8.02,;-.1,-9.35,;1.44,-9.35,;2,-7.25,;2,-5.71,;3.33,-4.94,;3.33,-3.4,;4.67,-5.71,;4.67,-7.25,;3.33,-8.02,;6,-8.02,;6,-9.56,;7.34,-10.33,;8.67,-9.56,;10,-10.33,;8.67,-8.02,;7.34,-7.25,;-2.48,-9.48,;-4.02,-9.48,;-4.49,-8.02,;-5.98,-7.62,;-6.38,-6.13,;-7.87,-5.73,;-8.95,-6.82,;-8.56,-8.31,;-9.65,-9.4,;-7.07,-8.71,)|
BDBM269992 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Cl)cn2)cc1 |r|
BDBM270055 COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(F)cc2C#N)nnc1-c1cncc(C)c1 |(-7.03,1.99,;-5.69,1.22,;-4.36,1.99,;-4.36,3.53,;-3.02,4.3,;-1.69,3.53,;-1.69,1.99,;-.36,1.22,;.98,1.99,;-3.02,1.22,;-3.02,-.32,;-1.78,-1.22,;-.45,-.45,;.89,-1.22,;1.66,-2.56,;.12,-2.56,;2.22,-.45,;3.56,-1.22,;4.89,-.45,;4.89,1.09,;6.22,1.86,;7.56,1.09,;8.89,1.86,;7.56,-.45,;6.22,-1.28,;6.22,-2.82,;6.22,-4.36,;-2.25,-2.69,;-3.79,-2.69,;-4.27,-1.22,;-5.81,-1.22,;-6.58,-2.56,;-8.12,-2.56,;-8.89,-1.22,;-8.12,.11,;-8.89,1.44,;-6.58,.11,)|
BDBM270056 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-6.52,3.5,;-5.19,2.73,;-3.86,3.5,;-3.86,5.04,;-2.52,5.81,;-1.19,5.04,;-1.19,3.5,;.14,2.73,;1.48,3.5,;-2.52,2.73,;-2.52,.46,;-1.28,-.44,;.06,.33,;1.15,-.76,;2.23,.33,;.06,-1.85,;2.23,-1.85,;1.84,-3.34,;3.72,-1.45,;4.12,.04,;4.81,-2.54,;4.41,-4.03,;5.5,-5.12,;6.99,-4.72,;8.08,-5.81,;7.39,-3.23,;6.3,-2.14,;-1.75,-1.91,;-3.29,-1.91,;-3.77,-.44,;-5.1,.33,;-6.19,-.76,;-7.68,-.36,;-8.08,1.13,;-6.99,2.22,;-7.39,3.7,;-5.5,1.82,)|
BDBM270057 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@H](O)c2ccc(F)cc2Br)cc1 |r|
BDBM270121 CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(OC)cn1 |r,wU:2.1,wD:3.3,(1.87,-3.92,;.54,-3.15,;.54,-1.61,;-.8,-.84,;-.8,.7,;-2.13,-1.61,;-2.9,-2.94,;-1.36,-2.94,;-3.47,-.84,;-4.8,-1.61,;-5.28,-3.07,;-6.82,-3.07,;-7.29,-1.61,;-8.78,-1.21,;-9.18,.28,;-10.67,.68,;-11.75,-.41,;-11.36,-1.9,;-12.44,-2.99,;-9.87,-2.3,;-6.05,-.7,;-6.05,.84,;-4.71,1.61,;-3.38,.84,;-2.04,1.61,;-4.71,3.15,;-6.05,3.92,;-7.38,3.15,;-7.38,1.61,;-8.71,.84,;-10.05,1.61,;1.87,-.84,;3.2,-1.61,;4.54,-.84,;4.54,.7,;5.87,1.47,;7.2,.7,;3.2,1.47,;1.87,.7,)|
BDBM270122 COc1cccc(F)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:15.16,17.18,(-1.38,1.22,;-2.71,.45,;-4.04,1.22,;-4.04,2.76,;-5.38,3.53,;-6.71,2.76,;-6.71,1.22,;-8.05,.45,;-5.38,.45,;-5.38,-1.09,;-4.13,-1.99,;-2.8,-1.22,;-1.46,-1.99,;-2.23,-3.33,;-.69,-3.33,;-.13,-1.22,;-.13,.32,;1.2,-1.99,;1.2,-3.53,;2.54,-1.22,;3.87,-1.99,;5.2,-1.22,;5.2,.32,;6.54,1.09,;3.87,1.09,;2.54,.32,;-4.61,-3.46,;-6.15,-3.46,;-6.62,-1.99,;-8.11,-1.59,;-8.51,-.11,;-10,.29,;-11.09,-.8,;-10.69,-2.28,;-11.78,-3.37,;-9.2,-2.68,)|
BDBM270123 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(F)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM270124 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wD:2.1,3.3,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-10.64,-2.59,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;1.24,3.15,;-.09,2.38,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM270185 CN[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(3.43,-3.85,;2.08,-3.08,;2.08,-1.54,;.75,-.77,;.75,.77,;-.58,-1.54,;-1.35,-2.87,;.19,-2.87,;-1.92,-.77,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-7.11,-1.91,;-8.2,-3,;-9.69,-2.6,;-10.08,-1.11,;-9,-.03,;-9.39,1.46,;-7.51,-.42,;-4.72,-1.06,;-5.12,.42,;-4.03,1.51,;-2.54,1.11,;-1.45,2.2,;-4.43,3,;-5.91,3.4,;-7,2.31,;-6.6,.82,;-8.09,.42,;-8.49,1.91,;3.42,-.77,;4.75,-1.54,;6.08,-.77,;6.08,.77,;7.42,1.54,;4.75,1.54,;3.42,.77,)|
BDBM270186 CN[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,wD:2.1,(4.34,4.79,;3,5.56,;3,7.1,;1.67,7.87,;1.67,9.41,;.33,7.1,;-.44,5.76,;1.1,5.76,;-1,7.87,;-2.33,7.1,;-2.81,5.63,;-4.35,5.63,;-4.82,7.1,;-6.36,7.1,;-7.13,5.76,;-8.67,5.76,;-9.44,7.1,;-8.67,8.43,;-9.44,9.76,;-7.13,8.43,;-3.58,8,;-3.98,9.49,;-5.47,9.89,;-6.95,9.49,;-7.72,10.82,;-5.86,11.38,;-4.77,12.47,;-3.29,12.07,;-2.89,10.58,;-1.4,10.18,;-.07,10.95,;4.34,7.87,;5.67,7.1,;7,7.87,;7,9.41,;8.34,10.18,;5.67,10.18,;4.34,9.41,)|
BDBM269525 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccncc1)c1ncc(C)cn1 |r|
BDBM269526 CCOc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)nnc1-c1cccc(OC)n1 |r,wU:17.18,19.20,(1.64,3.61,;2.04,2.13,;.95,1.04,;-.54,1.44,;-.94,2.92,;-2.42,3.32,;-3.51,2.23,;-3.11,.75,;-4.2,-.34,;-5.69,.06,;-1.63,.35,;-1.23,-1.14,;.24,-1.62,;1.57,-.85,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;3.67,-.28,;2.9,1.05,;5.21,-.28,;5.98,-1.62,;7.52,-1.62,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,)|
BDBM269527 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wU:3.3,2.1,(6.75,-2.28,;5.21,-2.28,;4.44,-.95,;2.9,-.95,;2.13,.38,;2.13,-2.28,;1.36,-3.62,;3.47,-3.05,;.8,-1.51,;-.53,-2.28,;-.53,-3.82,;-2,-4.3,;-2.9,-3.05,;-4.44,-3.05,;-5.21,-1.72,;-6.75,-1.72,;-7.52,-3.05,;-6.75,-4.39,;-5.21,-4.39,;-2,-1.81,;-2.4,-.32,;-3.88,.08,;-4.97,-1.01,;-6.46,-.61,;-4.28,1.57,;-3.19,2.66,;-1.71,2.26,;-1.31,.77,;.18,.37,;1.27,1.46,;5.21,.39,;4.44,1.72,;5.21,3.05,;6.75,3.05,;7.52,4.39,;7.52,1.72,;6.75,.38,)|
BDBM269528 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(4.99,-8.8,;5.76,-7.47,;4.99,-6.14,;3.45,-6.14,;2.68,-4.8,;2.68,-7.47,;1.91,-8.8,;4.01,-8.24,;1.34,-6.7,;.01,-7.47,;.01,-9.01,;-1.46,-9.49,;-2.36,-8.24,;-3.85,-7.84,;-4.94,-8.93,;-6.42,-8.53,;-6.82,-7.04,;-5.73,-5.96,;-4.25,-6.35,;-1.46,-6.99,;-2.29,-4.55,;-3.77,-4.15,;-4.86,-5.24,;-6.35,-4.84,;-4.17,-2.66,;-3.08,-1.58,;-1.6,-1.97,;-1.2,-3.46,;.29,-3.86,;1.38,-2.77,;5.76,-4.8,;7.3,-4.8,;8.07,-3.47,;7.3,-2.14,;8.07,-.8,;5.76,-2.14,;4.99,-3.47,)|
BDBM269529 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(Cl)cc1)c1ncc(C)cn1 |r|
BDBM269599 COc1cncc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,1.97,;-8.89,.64,;-8.12,-.7,;-8.89,-2.03,;-8.12,-3.36,;-6.58,-3.36,;-5.81,-2.03,;-6.58,-.7,;-4.27,-2.03,;-3.79,-3.49,;-2.25,-3.49,;-1.78,-2.03,;-.45,-1.26,;.89,-2.03,;.12,-3.36,;1.66,-3.36,;2.22,-1.26,;2.22,.28,;3.56,-2.03,;4.89,-1.26,;6.22,-2.03,;7.56,-1.26,;7.56,.28,;8.89,1.05,;6.22,1.05,;4.89,.28,;-3.02,-1.13,;-3.02,.41,;-4.36,1.18,;-5.69,.41,;-7.03,1.18,;-4.36,2.72,;-3.02,3.49,;-1.69,2.72,;-1.69,1.18,;-.36,.41,;.98,1.18,)|
BDBM269601 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-4.36,3.99,;-3.02,4.76,;-1.69,3.99,;-1.69,2.45,;-.36,1.68,;.98,2.45,)|
BDBM269662 CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269663 COc1cc(C)cc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-8.89,1.91,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269664 COc1cc(C)cc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-8.89,1.91,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM269665 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cc(C)cc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(2.22,-3.07,;3.56,-2.3,;3.56,-.76,;2.22,.01,;2.22,1.55,;.89,-.76,;.12,-2.1,;1.66,-2.1,;-.45,.01,;-1.78,-.76,;-2.25,-2.23,;-3.79,-2.23,;-4.27,-.76,;-5.81,-.76,;-6.58,.57,;-8.12,.57,;-8.89,1.91,;-8.89,-.76,;-8.12,-2.1,;-8.89,-3.43,;-8.12,-4.76,;-6.58,-2.1,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,)|
BDBM269728 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(3.26,-3.14,;1.72,-2.98,;.82,-4.22,;-.71,-4.06,;-1.62,-5.31,;-1.34,-2.66,;-2.75,-3.28,;.07,-2.03,;-1.97,-1.25,;-1.06,-0,;.48,-0,;.96,1.46,;-.29,2.37,;-.29,3.91,;1.04,4.68,;1.04,6.22,;-.29,6.99,;-1.62,6.22,;-2.96,6.99,;-1.62,4.68,;-1.54,1.46,;-3,1.94,;-4.15,.91,;-3.82,-.6,;-4.97,-1.63,;-5.61,1.38,;-5.93,2.89,;-4.79,3.92,;-3.32,3.44,;-2.18,4.47,;-2.5,5.98,;1.45,-5.63,;2.98,-5.79,;3.6,-7.2,;2.7,-8.44,;3.32,-9.85,;1.17,-8.28,;.54,-6.88,)|
BDBM269729 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wD:3.3,2.1,(3.26,-3.14,;1.72,-2.98,;.82,-4.22,;-.71,-4.06,;-1.62,-5.31,;-1.34,-2.66,;-2.75,-3.28,;.07,-2.03,;-1.97,-1.25,;-1.06,-0,;.48,-0,;.96,1.46,;-.29,2.37,;-.29,3.91,;1.04,4.68,;1.04,6.22,;-.29,6.99,;-1.62,6.22,;-2.96,6.99,;-1.62,4.68,;-1.54,1.46,;-3,1.94,;-4.15,.91,;-3.82,-.6,;-4.97,-1.63,;-5.61,1.38,;-5.93,2.89,;-4.79,3.92,;-3.32,3.44,;-2.18,4.47,;-2.5,5.98,;1.45,-5.63,;2.98,-5.79,;3.6,-7.2,;2.7,-8.44,;3.32,-9.85,;1.17,-8.28,;.54,-6.88,)|
BDBM269785 COc1cnc(cn1)[C@H](O)[C@@H](C)S(N)(=O)=O |r|
BDBM269825 COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:17.18,(-5.43,-3.31,;-4.1,-4.08,;-2.76,-3.31,;-2.76,-1.77,;-1.43,-1,;-.1,-1.77,;-.1,-3.31,;1.24,-4.08,;2.57,-3.31,;-1.43,-4.08,;-1.43,-5.62,;-.18,-6.53,;1.3,-6.13,;2.39,-7.22,;1.3,-8.31,;3.48,-8.31,;3.48,-6.13,;4.97,-6.53,;5.37,-8.02,;6.06,-5.44,;5.66,-3.95,;6.75,-2.86,;8.24,-3.26,;9.32,-2.17,;8.63,-4.75,;7.55,-5.84,;-.66,-7.99,;-2.2,-7.99,;-2.68,-6.53,;-4.16,-6.13,;-4.56,-4.64,;-6.05,-4.24,;-7.14,-5.33,;-6.74,-6.82,;-7.83,-7.91,;-5.25,-7.22,)|
BDBM269883 COCCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:6.6,wD:5.4,(6.48,-13.22,;6.48,-11.68,;5.14,-10.91,;5.14,-9.37,;3.81,-8.6,;3.81,-7.06,;2.48,-6.29,;2.48,-4.75,;1.14,-7.06,;1.91,-8.39,;.37,-8.39,;-.19,-6.29,;-1.52,-7.06,;-2,-8.52,;-3.54,-8.52,;-4.02,-7.06,;-5.35,-6.29,;-6.12,-7.62,;-7.66,-7.62,;-8.43,-6.29,;-7.66,-4.95,;-8.43,-3.62,;-6.12,-4.95,;-2.77,-6.15,;-2.77,-4.43,;-1.39,-3.69,;-.05,-4.46,;1.28,-3.69,;-1.44,-2.12,;-2.77,-1.35,;-4.1,-2.12,;-4.1,-3.66,;-5.44,-4.43,;-6.77,-3.66,;5.14,-6.29,;5.14,-4.75,;6.48,-3.98,;7.81,-4.75,;9.15,-3.98,;7.81,-6.29,;6.48,-7.06,)|
BDBM269932 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:16.16,18.19,(.75,-4.64,;-.58,-5.41,;-1.92,-4.64,;-1.92,-3.1,;-3.25,-2.33,;-4.59,-3.1,;-4.59,-4.64,;-5.92,-5.41,;-7.25,-4.64,;-3.25,-5.41,;-3.25,-6.95,;-2.01,-7.85,;-.67,-7.08,;.66,-7.85,;-.11,-9.19,;1.43,-9.19,;1.99,-7.08,;1.99,-5.54,;3.33,-4.77,;3.33,-3.23,;4.66,-5.54,;4.66,-7.08,;3.33,-7.85,;6,-7.85,;6,-9.39,;7.33,-10.16,;8.66,-9.39,;10,-10.16,;8.66,-7.85,;7.33,-7.08,;-2.48,-9.32,;-4.02,-9.32,;-4.5,-7.85,;-5.99,-7.45,;-6.38,-5.97,;-7.87,-5.57,;-8.96,-6.66,;-8.56,-8.14,;-9.65,-9.23,;-7.07,-8.54,)|
BDBM269933 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.16,(.75,-4.64,;-.58,-5.41,;-1.92,-4.64,;-1.92,-3.1,;-3.25,-2.33,;-4.59,-3.1,;-4.59,-4.64,;-5.92,-5.41,;-7.25,-4.64,;-3.25,-5.41,;-3.25,-6.95,;-2.01,-7.85,;-.67,-7.08,;.66,-7.85,;-.11,-9.19,;1.43,-9.19,;1.99,-7.08,;1.99,-5.54,;3.33,-4.77,;3.33,-3.23,;4.66,-5.54,;4.66,-7.08,;3.33,-7.85,;6,-7.85,;6,-9.39,;7.33,-10.16,;8.66,-9.39,;10,-10.16,;8.66,-7.85,;7.33,-7.08,;-2.48,-9.32,;-4.02,-9.32,;-4.5,-7.85,;-5.99,-7.45,;-6.38,-5.97,;-7.87,-5.57,;-8.96,-6.66,;-8.56,-8.14,;-9.65,-9.23,;-7.07,-8.54,)|
BDBM269934 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:16.16,18.19,(.62,-4.64,;-.71,-5.41,;-2.05,-4.64,;-2.05,-3.1,;-3.38,-2.33,;-4.71,-3.1,;-4.71,-4.64,;-6.05,-5.41,;-7.38,-4.64,;-3.38,-5.41,;-3.38,-6.95,;-2.13,-7.85,;-.8,-7.08,;.53,-7.85,;-.24,-9.19,;1.3,-9.19,;1.87,-7.08,;1.87,-5.54,;3.2,-4.77,;3.2,-3.23,;4.53,-5.54,;4.53,-7.08,;3.2,-7.85,;5.87,-7.85,;5.87,-9.39,;7.2,-10.16,;8.54,-9.39,;9.87,-10.16,;8.54,-7.85,;7.2,-7.08,;-2.61,-9.32,;-4.15,-9.32,;-4.63,-7.85,;-6.11,-7.45,;-6.51,-5.97,;-8,-5.57,;-9.09,-6.66,;-8.69,-8.14,;-9.78,-9.23,;-7.2,-8.54,)|
BDBM269995 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wU:2.1,3.3,(3.93,1.06,;2.59,1.83,;2.59,3.37,;1.26,4.14,;1.26,5.68,;-.07,3.37,;.7,2.04,;-.84,2.04,;-1.41,4.14,;-2.74,3.37,;-3.22,1.91,;-4.76,1.91,;-5.23,3.37,;-6.72,3.77,;-7.12,5.26,;-8.61,5.66,;-9.69,4.57,;-9.3,3.08,;-10.39,1.99,;-7.81,2.68,;-3.99,4.28,;-3.99,5.82,;-5.32,6.59,;-6.65,5.82,;-7.99,6.59,;-5.32,8.13,;-3.99,8.9,;-2.65,8.13,;-2.65,6.59,;-1.32,5.82,;.01,6.59,;3.93,4.14,;3.93,5.68,;5.26,6.45,;6.6,5.68,;7.93,6.45,;6.6,4.14,;5.26,3.37,)|
BDBM269996 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wU:2.1,3.3,(4.16,1.06,;2.83,1.83,;2.83,3.37,;1.5,4.14,;1.5,5.68,;.16,3.37,;.93,2.04,;-.61,2.04,;-1.17,4.14,;-2.51,3.37,;-2.98,1.91,;-4.52,1.91,;-5,3.37,;-6.48,3.77,;-6.88,5.26,;-8.37,5.66,;-9.46,4.57,;-9.06,3.08,;-10.15,1.99,;-7.57,2.68,;-3.75,4.28,;-3.75,5.82,;-5.08,6.59,;-6.42,5.82,;-7.75,6.59,;-5.08,8.13,;-3.75,8.9,;-2.42,8.13,;-2.42,6.59,;-1.08,5.82,;.25,6.59,;4.16,4.14,;4.16,5.68,;5.5,6.45,;6.83,5.68,;8.16,6.45,;6.83,4.14,;5.5,3.37,)|
BDBM269997 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wD:3.3,2.1,(4.92,-9.19,;3.59,-8.42,;3.59,-6.88,;2.25,-6.11,;2.25,-4.57,;.92,-6.88,;1.69,-8.21,;.15,-8.21,;-.42,-6.11,;-1.75,-6.88,;-2.22,-8.34,;-3.76,-8.34,;-4.24,-6.88,;-5.73,-6.48,;-6.13,-4.99,;-7.61,-4.59,;-8.7,-5.68,;-8.3,-7.17,;-9.39,-8.26,;-6.82,-7.57,;-2.99,-5.97,;-2.99,-4.43,;-4.33,-3.66,;-5.66,-4.43,;-7,-3.66,;-4.33,-2.12,;-2.99,-1.35,;-1.66,-2.12,;-1.66,-3.66,;-.33,-4.43,;1.01,-3.66,;4.92,-6.11,;4.92,-4.57,;6.25,-3.8,;7.59,-4.57,;8.92,-3.8,;7.59,-6.11,;6.25,-6.88,)|
BDBM270125 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-10.64,-2.59,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;1.24,3.15,;-.09,2.38,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM270126 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(F)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-1.42,1.61,;-.09,.84,;-1.42,3.15,;-2.76,3.92,;-4.09,3.15,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
BDBM270127 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(-6.76,1.61,;-5.43,.84,;-4.09,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;-2.76,.84,;-2.76,-.7,;-1.51,-1.61,;-.18,-.84,;1.15,-1.61,;.38,-2.94,;1.92,-2.94,;2.49,-.84,;2.49,.7,;3.82,-1.61,;3.82,-3.15,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-6.58,-2.3,;-8.07,-1.9,;-8.47,-.41,;-7.38,.68,;-5.89,.28,)|
BDBM270128 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)c2ncc(C)cn2)cc1 |r|
BDBM270189 CN[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,wD:2.1,(4.79,-8.7,;3.46,-7.93,;3.46,-6.39,;2.12,-5.62,;2.12,-4.08,;.79,-6.39,;.02,-7.72,;1.56,-7.72,;-.54,-5.62,;-1.88,-6.39,;-1.88,-7.93,;-3.34,-8.4,;-4.25,-7.16,;-5.79,-7.16,;-6.56,-8.49,;-8.1,-8.49,;-8.87,-7.16,;-8.1,-5.82,;-8.87,-4.49,;-6.56,-5.82,;-3.34,-5.91,;-3.74,-4.42,;-2.65,-3.33,;-1.16,-3.73,;-.08,-2.64,;-3.05,-1.85,;-4.54,-1.45,;-5.63,-2.54,;-5.23,-4.02,;-6.72,-4.42,;-7.11,-2.94,;4.79,-5.62,;6.12,-6.39,;7.46,-5.62,;7.46,-4.08,;8.79,-3.31,;6.12,-3.31,;4.79,-4.08,)|
BDBM270190 CN[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,wD:2.1,(4.46,4.79,;3.13,5.56,;3.13,7.1,;1.8,7.87,;1.8,9.41,;.46,7.1,;-.31,5.76,;1.23,5.76,;-.87,7.87,;-2.21,7.1,;-2.68,5.63,;-4.22,5.63,;-4.7,7.1,;-6.24,7.1,;-7.01,5.76,;-8.55,5.76,;-9.32,7.1,;-8.55,8.43,;-9.32,9.76,;-7.01,8.43,;-3.45,8,;-3.85,9.49,;-5.34,9.89,;-6.82,9.49,;-7.59,10.82,;-5.74,11.38,;-4.65,12.47,;-3.16,12.07,;-2.76,10.58,;-1.27,10.18,;.06,10.95,;4.46,7.87,;5.8,7.1,;7.13,7.87,;7.13,9.41,;8.46,10.18,;5.8,10.18,;4.46,9.41,)|
BDBM269530 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(OC)cc1)c1ncc(C)cn1 |r|
BDBM269531 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(F)c1)c1ncc(C)cn1 |r|
BDBM269532 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:4.4,3.2,(5.9,-4.69,;5.9,-3.15,;4.57,-2.38,;4.57,-.84,;3.23,-.07,;3.23,1.47,;1.9,-.84,;1.13,-2.17,;2.67,-2.17,;.57,-.07,;-.77,-.84,;-1.24,-2.3,;-2.78,-2.3,;-3.26,-.84,;-4.75,-.44,;-5.15,1.05,;-6.63,1.45,;-7.72,.36,;-7.32,-1.13,;-8.41,-2.22,;-9.9,-1.82,;-5.84,-1.53,;-2.01,.07,;-2.01,1.61,;-3.35,2.38,;-4.68,1.61,;-6.02,2.38,;-3.35,3.92,;-2.01,4.69,;-.68,3.92,;-.68,2.38,;.65,1.61,;1.99,2.38,;5.9,-.07,;7.23,-.84,;8.57,-.07,;8.57,1.47,;9.9,2.24,;7.23,2.24,;5.9,1.47,)|
BDBM269533 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(OC)cn1 |r,wU:3.3,2.1,(5.23,-3.92,;3.9,-3.15,;3.9,-1.61,;2.57,-.84,;2.57,.7,;1.23,-1.61,;.46,-2.94,;2,-2.94,;-.1,-.84,;-1.44,-1.61,;-1.91,-3.07,;-3.45,-3.07,;-3.93,-1.61,;-5.41,-1.21,;-5.81,.28,;-7.3,.68,;-8.39,-.41,;-7.99,-1.9,;-9.08,-2.99,;-10.57,-2.59,;-6.5,-2.3,;-2.68,-.7,;-2.68,.84,;-4.02,1.61,;-5.35,.84,;-6.68,1.61,;-4.02,3.15,;-2.68,3.92,;-1.35,3.15,;-1.35,1.61,;-.01,.84,;1.32,1.61,;5.23,-.84,;6.57,-1.61,;7.9,-.84,;7.9,.7,;9.23,1.47,;10.57,.7,;6.57,1.47,;5.23,.7,)|
BDBM269534 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccccc1)c1ncc(F)cn1 |r|
BDBM269666 CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
BDBM269667 COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(C)cc2C#N)nnc1-c1cncc(Cl)c1 |(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;3.56,-.1,;4.89,.67,;4.89,2.21,;6.22,2.98,;7.56,2.21,;8.89,2.98,;7.56,.67,;6.22,-.1,;6.22,-1.64,;6.22,-3.18,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-8.89,-2.76,;-6.58,-1.43,)|
BDBM269668 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,)|
BDBM269669 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,)|
BDBM269730 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(cc2)C#N)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-7.69,5.81,;-6.36,5.04,;-5.03,5.81,;-5.03,7.35,;-3.69,8.12,;-2.36,7.35,;-2.36,5.81,;-1.02,5.04,;.31,5.81,;-3.69,5.04,;-3.69,3.5,;-2.45,2.6,;-1.11,3.37,;.22,2.6,;-.55,1.26,;.99,1.26,;1.56,3.37,;1.56,4.91,;2.89,2.6,;2.89,1.06,;4.22,3.37,;5.56,2.6,;6.89,3.37,;6.94,4.94,;5.56,5.68,;4.22,4.91,;8.27,5.71,;9.6,6.48,;-2.92,1.13,;-4.46,1.13,;-4.94,2.6,;-6.48,2.6,;-7.25,1.26,;-8.79,1.26,;-9.56,2.6,;-8.79,3.93,;-9.56,5.27,;-7.25,3.93,)|
BDBM269733 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncccn1 |r,wU:3.3,2.1,(5.48,-3.92,;4.14,-3.15,;4.14,-1.61,;2.81,-.84,;2.81,.7,;1.48,-1.61,;.71,-2.94,;2.25,-2.94,;.14,-.84,;-1.19,-1.61,;-1.67,-3.07,;-3.21,-3.07,;-3.68,-1.61,;-5.17,-1.21,;-6.26,-2.3,;-7.75,-1.9,;-8.15,-.41,;-7.06,.68,;-7.45,2.16,;-5.57,.28,;-2.44,-.7,;-2.44,.84,;-3.77,1.61,;-5.1,.84,;-6.44,1.61,;-3.77,3.15,;-2.44,3.92,;-1.1,3.15,;-1.1,1.61,;.23,.84,;1.56,1.61,;5.48,-.84,;6.81,-1.61,;8.15,-.84,;8.15,.7,;6.81,1.47,;5.48,.7,)|
BDBM269788 CO[C@H]([C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1cnc(OC)cn1 |r|
BDBM269789 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1cnc(OC)cn1 |r,wU:2.1,3.3,(3.24,23.21,;2.14,24.32,;2.54,25.8,;1.45,26.89,;1.85,28.38,;-.04,26.49,;-.81,25.16,;.36,25.01,;-1.13,27.58,;-2.46,26.81,;-2.94,25.35,;-4.48,25.35,;-4.95,26.81,;-6.49,26.81,;-7.26,25.48,;-8.8,25.48,;-9.57,26.81,;-8.8,28.15,;-9.57,29.48,;-7.26,28.15,;-3.71,27.72,;-3.71,29.26,;-5.04,30.03,;-6.38,29.26,;-7.71,30.03,;-5.04,31.57,;-3.71,32.34,;-2.38,31.57,;-2.38,30.03,;-1.04,29.26,;.31,29.99,;4.02,26.2,;4.42,27.69,;5.91,28.09,;7,27,;8.49,27.4,;9.57,26.31,;6.6,25.51,;5.11,25.11,)|
BDBM269790 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1cnc(OC)cn1 |r,wU:2.1,3.3,(3.24,23.78,;2.14,24.88,;2.54,26.37,;1.45,27.46,;1.85,28.95,;-.04,27.06,;-.81,25.73,;.36,25.57,;-1.13,28.15,;-2.46,27.38,;-2.94,25.92,;-4.48,25.92,;-4.95,27.38,;-6.49,27.38,;-7.26,26.05,;-8.8,26.05,;-9.57,27.38,;-8.8,28.71,;-9.57,30.05,;-7.26,28.71,;-3.71,28.29,;-3.71,29.83,;-5.04,30.6,;-6.38,29.83,;-7.71,30.6,;-5.04,32.14,;-3.71,32.91,;-2.38,32.14,;-2.38,30.6,;-1.04,29.83,;.31,30.56,;4.02,26.77,;4.42,28.26,;5.91,28.66,;7,27.57,;8.49,27.97,;9.57,26.88,;6.6,26.08,;5.11,25.68,)|
BDBM269791 C\C(=C(\C)S(N)(=O)=O)c1ncc(C)cn1
BDBM269792 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:18.19,16.17,(-10.75,-1.29,;-9.42,-2.06,;-8.07,-1.28,;-8.07,.28,;-6.72,1.06,;-5.37,.28,;-5.37,-1.28,;-6.72,-2.06,;-4.02,-2.06,;-3.54,-3.53,;-2,-3.53,;-1.53,-2.06,;-.2,-1.29,;.89,-2.38,;.12,-3.71,;1.29,-3.87,;2.38,-1.98,;2.78,-.5,;3.47,-3.07,;3.07,-4.56,;4.96,-2.67,;6.05,-3.76,;7.53,-3.36,;7.93,-1.88,;9.42,-1.48,;6.84,-.79,;5.36,-1.19,;-2.77,-1.16,;-2.77,1.48,;-4.11,2.25,;-5.44,1.48,;-6.78,2.25,;-4.11,3.79,;-2.77,4.56,;-1.44,3.79,;-1.44,2.25,;-.11,1.48,;1.25,2.21,)|
BDBM269828 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@H](O)c2ccc(F)cn2)cc1 |r|
BDBM269831 CO[C@@H]([C@H](C)S(N)(=O)=O)c1ccc(Br)cc1F |r|
BDBM269935 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wD:16.16,18.19,(-7.17,-2.71,;-5.83,-3.48,;-4.5,-2.71,;-4.5,-1.17,;-3.17,-.4,;-1.83,-1.17,;-1.83,-2.71,;-.5,-3.48,;.84,-2.71,;-3.17,-3.48,;-3.17,-5.02,;-1.92,-5.92,;-.43,-5.53,;.66,-6.62,;-.11,-7.95,;1.43,-7.95,;1.99,-5.85,;1.99,-4.31,;3.32,-3.54,;3.32,-2,;4.66,-4.31,;4.66,-5.85,;3.32,-6.62,;5.99,-6.62,;5.99,-8.16,;7.33,-8.93,;8.66,-8.16,;9.99,-8.93,;8.66,-6.62,;7.33,-5.85,;-2.4,-7.39,;-3.94,-7.39,;-4.41,-5.92,;-5.9,-5.53,;-6.3,-4.04,;-7.78,-3.64,;-8.87,-4.73,;-8.48,-6.22,;-9.56,-7.31,;-6.99,-6.62,)|
BDBM269936 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.16,18.19,(-10.51,-6.68,;-9.03,-7.08,;-7.94,-5.99,;-8.33,-4.5,;-7.25,-3.41,;-5.76,-3.81,;-5.36,-5.3,;-6.45,-6.39,;-3.87,-5.69,;-3.4,-7.16,;-1.86,-7.16,;-1.38,-5.69,;.11,-5.3,;1.2,-6.39,;.43,-7.72,;1.97,-7.72,;2.53,-5.62,;2.53,-4.08,;3.86,-3.31,;3.86,-1.77,;5.2,-4.08,;5.2,-5.62,;3.86,-6.39,;6.53,-6.39,;6.53,-7.93,;7.86,-8.7,;9.2,-7.93,;10.53,-8.7,;9.2,-6.39,;7.86,-5.62,;-2.63,-4.79,;-2.63,-3.25,;-3.96,-2.48,;-5.29,-3.25,;-6.63,-2.48,;-3.96,-.94,;-2.63,-.17,;-1.29,-.94,;-1.29,-2.48,;.04,-3.25,;1.37,-2.48,)|
BDBM269937 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2C[C@@H](O)CN(C2)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.16,(-10.5,-6.68,;-9.01,-7.08,;-7.92,-5.99,;-8.32,-4.5,;-7.23,-3.41,;-5.75,-3.81,;-5.35,-5.3,;-6.44,-6.39,;-3.86,-5.69,;-3.39,-7.16,;-1.85,-7.16,;-1.37,-5.69,;.12,-5.3,;1.21,-6.39,;.44,-7.72,;1.98,-7.72,;2.54,-5.62,;2.54,-4.08,;3.87,-3.31,;3.87,-1.77,;5.21,-4.08,;5.21,-5.62,;3.87,-6.39,;6.54,-6.39,;6.54,-7.93,;7.88,-8.7,;9.21,-7.93,;10.54,-8.7,;9.21,-6.39,;7.88,-5.62,;-2.62,-4.79,;-2.62,-3.25,;-3.95,-2.48,;-5.28,-3.25,;-6.62,-2.48,;-3.95,-.94,;-2.62,-.17,;-1.28,-.94,;-1.28,-2.48,;.05,-3.25,;1.39,-2.48,)|
BDBM269938 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.16,18.19,(-10.5,-6.79,;-9.01,-7.19,;-7.93,-6.1,;-8.32,-4.62,;-7.24,-3.53,;-5.75,-3.93,;-5.35,-5.41,;-6.44,-6.5,;-3.86,-5.81,;-3.39,-7.28,;-1.85,-7.28,;-1.37,-5.81,;.12,-5.41,;1.21,-6.5,;.44,-7.84,;1.98,-7.84,;2.54,-5.73,;2.54,-4.19,;3.87,-3.42,;3.87,-1.88,;5.21,-4.19,;5.21,-5.73,;3.87,-6.5,;6.54,-6.5,;6.54,-8.04,;7.88,-8.81,;9.21,-8.04,;10.54,-8.81,;9.21,-6.5,;7.88,-5.73,;-2.62,-4.91,;-2.62,-3.37,;-3.95,-2.6,;-5.28,-3.37,;-6.62,-2.6,;-3.95,-1.06,;-2.62,-.29,;-1.28,-1.06,;-1.28,-2.6,;.05,-3.37,;1.39,-2.6,)|
BDBM269998 CO[C@@H]([C@H](C)S(=O)(=O)N(CC[Si](C)(C)C)c1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(4.91,-4.44,;3.58,-3.67,;3.58,-2.13,;2.25,-1.36,;2.25,.18,;.91,-2.13,;1.68,-3.46,;-.42,-2.9,;-.42,-1.36,;-.02,.13,;1.47,.53,;1.86,2.01,;.78,3.1,;3.63,2.41,;3.23,.92,;-1.96,-1.36,;-2.44,-2.83,;-3.98,-2.83,;-4.45,-1.36,;-5.94,-.96,;-7.03,-2.05,;-8.52,-1.65,;-8.92,-.16,;-7.83,.92,;-8.22,2.41,;-6.34,.53,;-3.21,-.46,;-3.79,1.47,;-5.27,1.86,;-6.76,1.47,;-7.85,2.55,;-5.67,3.35,;-4.58,4.44,;-3.1,4.04,;-2.7,2.55,;-1.21,2.16,;-.12,3.24,;4.91,-1.36,;6.25,-2.13,;7.58,-1.36,;7.58,.18,;8.92,.95,;6.25,.95,;4.91,.18,)|
BDBM270001 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,wD:18.19,(-6.16,-17.31,;-4.67,-17.71,;-3.58,-16.62,;-3.98,-15.13,;-2.89,-14.04,;-1.4,-14.44,;-1.01,-15.93,;.48,-16.33,;1.57,-15.24,;-2.09,-17.02,;-1.17,-19.85,;.08,-20.76,;1.41,-19.99,;2.75,-20.76,;1.98,-22.09,;4.08,-21.53,;3.52,-19.42,;2.75,-18.09,;5.06,-19.42,;5.06,-20.96,;5.83,-18.09,;7.37,-18.09,;8.14,-16.76,;7.37,-15.42,;8.14,-14.09,;5.83,-15.42,;5.06,-16.76,;-.4,-22.22,;-1.94,-22.22,;-2.41,-20.76,;-3.9,-20.36,;-4.3,-18.87,;-5.79,-18.47,;-6.87,-19.56,;-6.48,-21.05,;-7.57,-22.14,;-4.99,-21.45,)|
BDBM270062 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccccn2)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.67,-2.33,;5.13,-2.33,;4.36,-.99,;2.82,-.99,;2.05,.34,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;.72,-1.56,;-.61,-2.33,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,;-2.08,-1.85,;-2.62,.26,;-4.1,.66,;-5.19,-.43,;-6.68,-.03,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,)|
BDBM270063 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccccn2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.67,-2.33,;5.13,-2.33,;4.36,-.99,;2.82,-.99,;2.05,.34,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;.72,-1.56,;-.61,-2.33,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,;-2.08,-1.85,;-2.62,.26,;-4.1,.66,;-5.19,-.43,;-6.68,-.03,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,)|
BDBM270065 COc1cccc(OC)c1-n1c(nn(C)\c1=N/S(=O)(=O)[C@@H](C)[C@H](C)c1ncc(C)cn1)-c1cncc(C)c1 |r,wU:20.22,22.24,(2.02,-2.73,;.93,-3.81,;-.56,-3.42,;-.96,-1.93,;-2.44,-1.53,;-3.53,-2.62,;-3.14,-4.11,;-4.22,-5.19,;-5.71,-4.8,;-1.65,-4.5,;-.92,-7.21,;-1.83,-8.45,;-.92,-9.7,;.54,-9.22,;1.88,-9.99,;.54,-7.68,;1.88,-6.91,;3.21,-7.68,;2.44,-9.02,;4.54,-8.45,;3.98,-6.35,;3.21,-5.02,;5.52,-6.35,;6.29,-7.68,;6.29,-5.02,;5.52,-3.68,;6.29,-2.35,;7.83,-2.35,;8.6,-1.02,;8.6,-3.68,;7.83,-5.02,;-3.32,-8.05,;-3.71,-6.57,;-5.2,-6.17,;-6.29,-7.26,;-5.89,-8.75,;-6.98,-9.83,;-4.4,-9.14,)|
BDBM270129 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
BDBM270130 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-8.76,8.36,;-7.43,7.59,;-6.1,8.36,;-6.1,9.9,;-4.76,10.67,;-3.43,9.9,;-3.43,8.36,;-2.1,7.59,;-.76,8.36,;-4.76,7.59,;-4.76,6.05,;-3.52,5.15,;-2.18,5.92,;-.85,5.15,;-1.62,3.82,;-.08,3.82,;.48,5.92,;.48,7.46,;1.82,5.15,;1.82,3.61,;3.15,5.92,;3.15,7.46,;4.48,8.23,;5.82,7.46,;7.15,8.23,;5.82,5.92,;4.48,5.15,;-3.99,3.68,;-5.53,3.68,;-6.01,5.15,;-7.55,5.15,;-8.32,6.48,;-9.86,6.48,;-10.63,5.15,;-9.86,3.82,;-10.63,2.48,;-8.32,3.82,)|
BDBM270132 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)s1 |r,wU:3.3,2.1,(4.69,-4.74,;3.6,-3.65,;4,-2.16,;2.91,-1.08,;3.31,.41,;1.42,-1.47,;.33,-2.56,;1.82,-2.96,;.33,-.39,;-1.16,-.78,;-1.63,-2.25,;-3.17,-2.25,;-3.65,-.78,;-5.19,-.78,;-5.96,-2.12,;-7.5,-2.12,;-8.27,-.78,;-7.5,.55,;-5.96,.55,;-2.4,.12,;-2.4,1.66,;-1.07,2.43,;.26,1.66,;1.6,2.43,;-1.07,3.97,;-2.4,4.74,;-3.74,3.97,;-3.74,2.43,;-5.07,1.66,;-6.4,2.43,;5.48,-1.77,;6.73,-2.67,;7.97,-1.77,;7.5,-.3,;8.27,1.03,;5.96,-.3,)|
BDBM270195 C[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC(F)F)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:1.0,2.2,(3.56,-3.34,;3.56,-1.8,;2.22,-1.03,;2.22,.51,;.89,-1.8,;.12,-3.14,;1.66,-3.14,;-.45,-1.03,;-1.78,-1.8,;-2.25,-3.27,;-3.79,-3.27,;-4.27,-1.8,;-5.81,-1.8,;-6.58,-.47,;-8.12,-.47,;-8.89,-1.8,;-8.12,-3.14,;-8.89,-4.47,;-6.58,-3.14,;-3.02,-.9,;-3.02,1.39,;-1.69,2.16,;-.36,1.39,;.98,2.16,;2.31,1.39,;.98,3.7,;-1.69,3.7,;-3.02,4.47,;-4.36,3.7,;-4.36,2.16,;-5.69,1.39,;-7.03,2.16,;-8.36,1.39,;-7.03,3.7,;4.89,-1.03,;6.22,-1.8,;7.56,-1.03,;7.56,.51,;8.89,1.28,;6.22,1.28,;4.89,.51,)|
BDBM270196 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)C#CC)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(.98,2.16,;-.36,1.39,;-1.69,2.16,;-1.69,3.7,;-3.02,4.47,;-4.36,3.7,;-4.36,2.16,;-5.69,1.39,;-7.03,2.16,;-3.02,1.39,;-3.02,-.9,;-1.78,-1.8,;-.45,-1.03,;.89,-1.8,;.12,-3.14,;1.66,-3.14,;2.22,-1.03,;2.22,.51,;3.56,-1.8,;3.56,-3.34,;4.89,-1.03,;6.22,-.26,;7.56,.51,;-2.25,-3.27,;-3.79,-3.27,;-4.27,-1.8,;-5.81,-1.8,;-6.58,-.47,;-8.12,-.47,;-8.89,-1.8,;-8.12,-3.14,;-8.89,-4.47,;-6.58,-3.14,)|
BDBM269535 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:4.4,3.2,(4.81,-4.69,;4.81,-3.15,;3.48,-2.38,;3.48,-.84,;2.14,-.07,;2.14,1.47,;.81,-.84,;.04,-2.17,;1.58,-2.17,;-.52,-.07,;-1.86,-.84,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.24,1.05,;-7.72,1.45,;-8.81,.36,;-8.41,-1.13,;-6.93,-1.53,;-3.1,.07,;-3.1,1.61,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-1.77,3.92,;-3.1,4.69,;-4.44,3.92,;-4.44,2.38,;-5.77,1.61,;-7.1,2.38,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,)|
BDBM269536 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;-.68,1.61,;.65,.84,;1.99,1.61,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269537 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc2ccccc2c1)c1ncc(C)cn1 |r|
BDBM269538 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(c1)C(=O)OC)c1ncc(C)cn1 |r|
BDBM269539 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(Cl)c1C)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;.65,3.92,;-.68,1.61,;.65,.84,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269670 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1cccnc1 |r,wU:16.17,wD:18.19,(.98,3.12,;-.36,2.35,;-1.69,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,;-3.02,2.35,;-3.02,.81,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-2.25,-1.56,;-3.79,-1.56,;-4.27,-.1,;-5.81,-.1,;-6.58,1.24,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,)|
BDBM269671 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(OCC(F)(F)F)n1 |r,wU:16.17,18.19,(1.27,3.56,;.18,2.48,;-1.31,2.87,;-1.71,4.36,;-3.19,4.76,;-4.28,3.67,;-3.88,2.18,;-4.97,1.09,;-6.46,1.49,;-2.4,1.78,;-2,.3,;-.53,-.18,;.8,.59,;2.13,-.18,;1.36,-1.51,;3.47,-.95,;2.9,1.15,;2.13,2.49,;4.44,1.15,;5.21,-.18,;5.21,2.49,;6.75,2.49,;7.52,3.82,;6.75,5.16,;7.52,6.49,;5.21,5.16,;4.44,3.82,;-.53,-1.72,;-2,-2.19,;-2.9,-.95,;-4.44,-.95,;-5.21,.38,;-6.75,.38,;-7.52,-.95,;-6.75,-2.28,;-7.52,-3.62,;-9.06,-3.62,;-9.83,-4.95,;-10.6,-6.28,;-11.17,-4.18,;-8.5,-5.72,;-5.21,-2.28,)|
BDBM269672 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(OCCO)n1 |r,wU:16.17,18.19,(1.27,2.79,;.18,1.71,;-1.31,2.1,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,;-2.4,1.01,;-2,-.47,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-.53,-2.49,;-2,-2.96,;-2.9,-1.72,;-4.44,-1.72,;-5.21,-.39,;-6.75,-.39,;-7.52,-1.72,;-6.75,-3.05,;-7.52,-4.39,;-6.75,-5.72,;-5.21,-5.72,;-4.44,-4.39,;-5.21,-3.05,)|
BDBM269673 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OCC(F)(F)F)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:3.3,2.1,(4.83,3,;3.49,2.23,;3.49,.69,;2.16,-.08,;2.16,-1.62,;.83,.69,;.06,-.65,;1.6,2.02,;-.51,1.46,;-1.84,.69,;-1.84,-.85,;-3.3,-1.33,;-4.21,-.08,;-5.75,-.08,;-6.52,1.25,;-8.06,1.25,;-8.83,-.08,;-8.06,-1.42,;-8.83,-2.75,;-10.37,-2.75,;-11.14,-4.08,;-11.91,-5.42,;-12.47,-3.31,;-9.81,-4.85,;-6.52,-1.42,;-3.3,1.16,;-3.7,2.65,;-2.61,3.74,;-1.13,3.34,;-.04,4.43,;-3.01,5.23,;-4.5,5.62,;-5.59,4.54,;-5.19,3.05,;-6.28,1.96,;-7.77,2.36,;4.83,-.08,;6.16,.69,;7.5,-.08,;7.5,-1.62,;8.83,-2.39,;6.16,-2.39,;4.83,-1.62,)|
BDBM269734 CCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:4.4,3.2,(4.79,-4.69,;4.79,-3.15,;3.45,-2.38,;3.45,-.84,;2.12,-.07,;2.12,1.47,;.79,-.84,;.02,-2.17,;1.56,-2.17,;-.55,-.07,;-1.88,-.84,;-2.36,-2.3,;-3.9,-2.3,;-4.37,-.84,;-5.71,-.07,;-6.48,-1.4,;-8.02,-1.4,;-8.79,-.07,;-8.02,1.27,;-8.79,2.6,;-6.48,1.27,;-3.13,.07,;-3.13,1.61,;-1.72,2.29,;-.4,1.51,;.95,2.26,;-1.79,3.92,;-3.13,4.69,;-4.46,3.92,;-4.46,2.38,;-5.8,1.61,;-7.13,2.38,;4.79,-.07,;6.12,-.84,;7.45,-.07,;7.45,1.47,;8.79,2.24,;6.12,2.24,;4.79,1.47,)|
BDBM269735 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,3.2,(4.79,-4.69,;4.79,-3.15,;3.45,-2.38,;3.45,-.84,;2.12,-.07,;2.12,1.47,;.79,-.84,;.02,-2.17,;1.56,-2.17,;-.55,-.07,;-1.88,-.84,;-2.36,-2.3,;-3.9,-2.3,;-4.37,-.84,;-5.71,-.07,;-6.48,-1.4,;-8.02,-1.4,;-8.79,-.07,;-8.02,1.27,;-8.79,2.6,;-6.48,1.27,;-3.13,.07,;-3.13,1.61,;-1.72,2.29,;-.4,1.51,;.95,2.26,;-1.79,3.92,;-3.13,4.69,;-4.46,3.92,;-4.46,2.38,;-5.8,1.61,;-7.13,2.38,;4.79,-.07,;6.12,-.84,;7.45,-.07,;7.45,1.47,;8.79,2.24,;6.12,2.24,;4.79,1.47,)|
BDBM269736 CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,wD:3.2,(4.79,-4.69,;4.79,-3.15,;3.45,-2.38,;3.45,-.84,;2.12,-.07,;2.12,1.47,;.79,-.84,;.02,-2.17,;1.56,-2.17,;-.55,-.07,;-1.88,-.84,;-2.36,-2.3,;-3.9,-2.3,;-4.37,-.84,;-5.71,-.07,;-6.48,-1.4,;-8.02,-1.4,;-8.79,-.07,;-8.02,1.27,;-8.79,2.6,;-6.48,1.27,;-3.13,.07,;-3.13,1.61,;-1.75,2.35,;-.41,1.58,;.92,2.35,;-1.79,3.92,;-3.13,4.69,;-4.46,3.92,;-4.46,2.38,;-5.65,1.72,;-6.97,2.51,;4.79,-.07,;6.12,-.84,;7.45,-.07,;7.45,1.47,;8.79,2.24,;6.12,2.24,;4.79,1.47,)|
BDBM269737 CCO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.2,wD:4.4,(4.79,-4.69,;4.79,-3.15,;3.45,-2.38,;3.45,-.84,;2.12,-.07,;2.12,1.47,;.79,-.84,;.02,-2.17,;1.56,-2.17,;-.55,-.07,;-1.88,-.84,;-2.36,-2.3,;-3.9,-2.3,;-4.37,-.84,;-5.71,-.07,;-6.48,-1.4,;-8.02,-1.4,;-8.79,-.07,;-8.02,1.27,;-8.79,2.6,;-6.48,1.27,;-3.13,.07,;-3.13,1.61,;-1.75,2.35,;-.41,1.58,;.92,2.35,;-1.79,3.92,;-3.13,4.69,;-4.46,3.92,;-4.46,2.38,;-5.65,1.72,;-6.97,2.51,;4.79,-.07,;6.12,-.84,;7.45,-.07,;7.45,1.47,;8.79,2.24,;6.12,2.24,;4.79,1.47,)|
BDBM269793 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)c2ccc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:23.24,(-6.07,-18.93,;-6.84,-17.6,;-6.07,-16.27,;-6.84,-14.93,;-6.07,-13.6,;-4.53,-13.6,;-3.76,-14.93,;-4.53,-16.27,;-2.22,-14.93,;-1.31,-16.18,;.15,-15.7,;.15,-14.16,;1.48,-13.39,;1.48,-11.85,;2.82,-11.08,;2.82,-9.54,;4.36,-9.54,;1.28,-9.54,;2.82,-8,;2.82,-14.16,;4.15,-14.93,;2.05,-15.5,;3.59,-12.83,;5.13,-12.83,;5.9,-14.16,;5.9,-11.5,;5.13,-10.16,;5.9,-8.83,;7.44,-8.83,;8.21,-7.49,;8.21,-10.16,;7.44,-11.5,;-1.31,-13.69,;-2.57,-11.39,;-4.11,-11.39,;-4.88,-12.72,;-6.42,-12.72,;-4.88,-10.06,;-4.11,-8.72,;-2.57,-8.72,;-1.8,-10.06,;-.26,-10.06,;.51,-8.72,)|
BDBM269794 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@H](O)c2ccc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,(-8.65,5.74,;-9.05,7.22,;-7.96,8.31,;-8.36,9.8,;-7.27,10.89,;-5.78,10.49,;-5.38,9,;-6.47,7.91,;-4.05,8.23,;-3.58,6.79,;-2.06,6.79,;-1.59,8.23,;-.27,8.99,;1.06,8.22,;.29,6.89,;1.83,6.89,;2.4,8.99,;3.73,8.22,;3.73,6.68,;5.06,8.99,;4.67,10.48,;5.75,11.57,;7.24,11.17,;8.33,12.26,;7.64,9.68,;6.55,8.59,;-2.82,9.13,;-2.82,11.73,;-4.14,12.49,;-5.45,11.73,;-6.77,12.49,;-4.14,14.01,;-2.82,14.77,;-1.5,14.01,;-1.5,12.49,;-.18,11.73,;1.15,12.46,)|
BDBM269795 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@H](O)c2ccc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,(-8.87,9.22,;-9.27,10.71,;-8.18,11.8,;-8.58,13.29,;-7.49,14.38,;-6.01,13.98,;-5.61,12.49,;-6.7,11.4,;-4.27,11.72,;-3.8,10.27,;-2.28,10.27,;-1.81,11.72,;-.49,12.48,;.84,11.71,;.07,10.38,;1.61,10.38,;2.17,12.48,;3.51,11.71,;3.51,10.17,;4.84,12.48,;4.44,13.97,;5.53,15.06,;7.02,14.66,;8.11,15.75,;7.42,13.17,;6.33,12.08,;-3.04,12.61,;-3.04,15.22,;-4.36,15.98,;-5.68,15.22,;-7,15.98,;-4.36,17.5,;-3.04,18.26,;-1.72,17.5,;-1.72,15.98,;-.41,15.22,;.93,15.94,)|
BDBM269796 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(cc2)C#N)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-10.66,6.44,;-9.12,6.44,;-8.35,5.1,;-9.12,3.77,;-8.35,2.43,;-6.81,2.43,;-6.04,3.77,;-6.81,5.1,;-4.5,3.77,;-4.03,2.3,;-2.49,2.3,;-2.01,3.77,;-.68,4.54,;.65,3.77,;1.05,2.28,;-.43,2.68,;2.19,3.77,;2.96,5.1,;2.96,2.43,;2.19,1.1,;4.5,2.43,;5.27,1.1,;6.81,1.1,;7.64,2.43,;6.81,3.77,;5.27,3.77,;9.18,2.44,;10.72,2.44,;-3.26,4.67,;-3.26,6.21,;-4.59,6.98,;-5.93,6.21,;-7.26,6.98,;-4.59,8.52,;-3.26,9.29,;-1.92,8.52,;-1.92,6.98,;-.59,6.21,;.74,6.98,)|
BDBM269832 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(cc1F)C#N |r,wD:3.3,2.1,(3.02,-26.2,;4.11,-25.11,;3.91,-23.58,;2.58,-22.81,;2.37,-21.28,;1.49,-23.9,;.4,-24.99,;2.58,-24.99,;.4,-22.81,;-.94,-23.58,;-1.41,-25.04,;-2.95,-25.04,;-3.43,-23.58,;-4.92,-23.18,;-5.31,-21.69,;-6.8,-21.3,;-7.89,-22.38,;-7.49,-23.87,;-8.58,-24.96,;-6,-24.27,;-2.18,-22.67,;-2.18,-21.13,;-3.52,-20.36,;-4.85,-21.13,;-6.18,-20.36,;-3.52,-18.82,;-2.18,-18.05,;-.85,-18.82,;-.85,-20.36,;.48,-21.13,;1.82,-20.36,;5,-22.49,;4.6,-21,;5.69,-19.91,;7.18,-20.31,;7.57,-21.8,;6.49,-22.89,;6.88,-24.38,;8.26,-19.22,;9.35,-18.14,)|
BDBM269939 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.16,18.19,(-10.51,-6.79,;-9.02,-7.19,;-7.93,-6.1,;-8.33,-4.62,;-7.24,-3.53,;-5.75,-3.93,;-5.35,-5.41,;-6.44,-6.5,;-3.86,-5.81,;-3.39,-7.28,;-1.85,-7.28,;-1.37,-5.81,;.11,-5.41,;1.2,-6.5,;.43,-7.84,;1.97,-7.84,;2.54,-5.73,;2.54,-4.19,;3.87,-3.42,;3.87,-1.88,;5.21,-4.19,;5.21,-5.73,;3.87,-6.5,;6.54,-6.5,;6.54,-8.04,;7.87,-8.81,;9.21,-8.04,;10.54,-8.81,;9.21,-6.5,;7.87,-5.73,;-2.62,-4.91,;-2.62,-3.37,;-3.95,-2.6,;-5.29,-3.37,;-6.62,-2.6,;-3.95,-1.06,;-2.62,-.29,;-1.28,-1.06,;-1.28,-2.6,;.05,-3.37,;1.38,-2.6,)|
BDBM269940 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Br)cc2Br)cc1 |r|
BDBM270004 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(cn1)C#N |r,wU:3.3,wD:2.1,(6.39,-21.73,;5.06,-20.96,;5.06,-19.42,;3.52,-19.42,;2.75,-18.09,;2.75,-20.76,;1.98,-22.09,;4.08,-21.53,;1.41,-19.99,;.08,-20.76,;-.4,-22.22,;-1.94,-22.22,;-2.41,-20.76,;-3.9,-20.36,;-4.3,-18.87,;-5.79,-18.47,;-6.87,-19.56,;-6.48,-21.05,;-7.57,-22.14,;-9.05,-21.74,;-4.99,-21.45,;-1.17,-19.85,;-2.09,-17.02,;-3.58,-16.62,;-4.67,-17.71,;-6.16,-17.31,;-3.98,-15.13,;-2.89,-14.04,;-1.4,-14.44,;-1.01,-15.93,;.48,-16.33,;1.57,-15.24,;5.83,-18.09,;7.37,-18.09,;8.14,-16.76,;7.37,-15.42,;5.83,-15.42,;5.06,-16.76,;8.14,-14.09,;8.91,-12.75,)|
BDBM270005 COc1cccc(n1)-c1nnc(NS(=O)(=O)CCc2ccc(Br)cn2)n1-c1c(OC)cccc1OC |(-10,2.26,;-10.4,3.75,;-9.31,4.84,;-9.71,6.33,;-8.62,7.42,;-7.13,7.02,;-6.73,5.53,;-7.82,4.44,;-5.25,5.13,;-4.77,3.67,;-3.23,3.67,;-2.75,5.13,;-1.27,5.53,;-.18,4.44,;-1.27,3.35,;.91,3.35,;.91,5.53,;2.4,5.13,;3.49,6.22,;4.97,5.82,;6.06,6.91,;5.66,8.4,;6.75,9.49,;4.18,8.8,;3.09,7.71,;-4,6.04,;-4,7.58,;-5.33,8.35,;-6.67,7.58,;-8,8.35,;-5.33,9.89,;-4,10.66,;-2.67,9.89,;-2.67,8.35,;-1.33,7.58,;0,8.35,)|
BDBM270134 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2cnc(C)cn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(.76,1.89,;-.57,1.12,;-1.91,1.89,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;-7.24,1.89,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.51,-3.11,;.98,-3.51,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.73,-3.4,;7.22,-3,;7.62,-1.51,;9.11,-1.11,;6.53,-.42,;5.04,-.82,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,-2.66,;-8.34,-2.66,;-9.11,-1.33,;-8.34,.01,;-6.8,.01,)|
BDBM270135 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.76,1.89,;-.57,1.12,;-1.91,1.89,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;-7.24,1.89,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.51,-3.11,;.98,-3.51,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.73,-3.4,;7.22,-3,;7.62,-1.51,;9.11,-1.11,;6.53,-.42,;5.04,-.82,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,-2.66,;-8.34,-2.66,;-9.11,-1.33,;-8.34,.01,;-6.8,.01,)|
BDBM270197 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(C)nn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(.98,2.16,;-.36,1.39,;-1.69,2.16,;-1.69,3.7,;-3.02,4.47,;-4.36,3.7,;-4.36,2.16,;-5.69,1.39,;-7.03,2.16,;-3.02,1.39,;-3.02,-.9,;-1.78,-1.8,;-.45,-1.03,;.89,-1.8,;.12,-3.14,;1.66,-3.14,;2.22,-1.03,;2.22,.51,;3.56,-1.8,;3.56,-3.34,;4.89,-1.03,;6.22,-1.8,;7.56,-1.03,;7.56,.51,;8.89,1.28,;6.22,1.28,;4.89,.51,;-2.25,-3.27,;-3.79,-3.27,;-4.27,-1.8,;-5.81,-1.8,;-6.58,-.47,;-8.12,-.47,;-8.89,-1.8,;-8.12,-3.14,;-8.89,-4.47,;-6.58,-3.14,)|
BDBM270198 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(C)nn2)nnc1-c1cncc(C)c1 |r,wD:18.19,16.17,(.23,-2.85,;-.86,-3.94,;-2.35,-3.54,;-2.74,-2.06,;-4.23,-1.66,;-5.32,-2.75,;-4.92,-4.23,;-6.41,-4.63,;-6.81,-3.14,;-3.43,-4.63,;-3.04,-6.12,;-1.57,-6.6,;-.24,-5.83,;1.1,-6.6,;.33,-7.93,;1.87,-7.93,;2.43,-5.83,;2.43,-4.29,;3.76,-6.6,;3.76,-8.14,;5.1,-5.83,;6.43,-6.6,;7.76,-5.83,;7.76,-4.29,;9.1,-3.52,;6.43,-3.52,;5.1,-4.29,;-1.57,-8.14,;-3.04,-8.61,;-3.94,-7.37,;-5.43,-6.97,;-6.52,-8.06,;-8.01,-7.66,;-8.4,-6.17,;-7.32,-5.08,;-7.71,-3.59,;-5.83,-5.48,)|
BDBM270199 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(C)nn2)nnc1-c1cccnc1 |r,wD:18.19,16.17,(-.18,-2.85,;-1.27,-3.94,;-2.76,-3.54,;-3.16,-2.06,;-4.64,-1.66,;-5.73,-2.75,;-5.33,-4.23,;-6.82,-4.63,;-7.22,-3.14,;-3.85,-4.63,;-3.45,-6.12,;-1.98,-6.6,;-.65,-5.83,;.68,-6.6,;-.09,-7.93,;1.45,-7.93,;2.02,-5.83,;2.02,-4.29,;3.35,-6.6,;3.35,-8.14,;4.68,-5.83,;6.02,-6.6,;7.35,-5.83,;7.35,-4.29,;8.69,-3.52,;6.02,-3.52,;4.68,-4.29,;-1.98,-8.14,;-3.45,-8.61,;-4.35,-7.37,;-5.84,-6.97,;-6.24,-5.48,;-7.73,-5.08,;-8.82,-6.17,;-8.42,-7.66,;-6.93,-8.06,)|
BDBM270200 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2ccc(C)nn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(-6.61,-3,;-5.28,-3.77,;-3.94,-3,;-3.94,-1.46,;-2.61,-.69,;-1.27,-1.46,;-1.27,-3,;.06,-3.77,;1.39,-3,;-2.61,-3.77,;-2.61,-5.31,;-1.36,-6.21,;-.03,-5.44,;1.31,-6.21,;2.08,-7.55,;.54,-7.55,;2.64,-5.44,;2.64,-3.9,;3.97,-6.21,;3.97,-7.75,;5.31,-5.44,;6.64,-6.21,;7.97,-5.44,;7.97,-3.9,;9.31,-3.13,;6.64,-3.13,;5.31,-3.9,;-1.84,-7.68,;-3.38,-7.68,;-3.85,-6.21,;-5.34,-5.81,;-5.74,-4.33,;-7.23,-3.93,;-8.32,-5.02,;-7.92,-6.5,;-6.43,-6.9,)|
BDBM269540 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(c1)[N+]#[C-])c1ncc(C)cn1 |r|
BDBM269541 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(OC)cn1 |r,wU:3.3,2.1,(4.49,-3.92,;3.16,-3.15,;3.16,-1.61,;1.82,-.84,;1.82,.7,;.49,-1.61,;-.28,-2.94,;1.26,-2.94,;-.85,-.84,;-2.18,-1.61,;-2.66,-3.07,;-4.2,-3.07,;-4.67,-1.61,;-6.16,-1.21,;-6.56,.28,;-8.04,.68,;-9.13,-.41,;-8.73,-1.9,;-9.82,-2.99,;-7.25,-2.3,;-3.43,-.7,;-3.43,.84,;-4.76,1.61,;-6.09,.84,;-7.43,1.61,;-4.76,3.15,;-3.43,3.92,;-2.09,3.15,;-2.09,1.61,;-.76,.84,;.58,1.61,;4.49,-.84,;5.82,-1.61,;7.16,-.84,;7.16,.7,;8.49,1.47,;9.82,.7,;5.82,1.47,;4.49,.7,)|
BDBM269542 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(OC)cn1 |r,wU:3.3,2.1,(4.14,-3.92,;2.81,-3.15,;2.81,-1.61,;1.48,-.84,;1.48,.7,;.14,-1.61,;-.63,-2.94,;.91,-2.94,;-1.19,-.84,;-2.52,-1.61,;-3,-3.07,;-4.54,-3.07,;-5.02,-1.61,;-6.5,-1.21,;-7.59,-2.3,;-9.08,-1.9,;-9.48,-.41,;-8.39,.68,;-6.9,.28,;-3.77,-.7,;-3.77,.84,;-5.1,1.61,;-6.44,.84,;-7.77,1.61,;-5.1,3.15,;-3.77,3.92,;-2.44,3.15,;-2.44,1.61,;-1.1,.84,;.23,1.61,;4.14,-.84,;5.48,-1.61,;6.81,-.84,;6.81,.7,;8.15,1.47,;9.48,.7,;5.48,1.47,;4.14,.7,)|
BDBM269543 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1ccccc1)c1ncc(OC)cn1 |r|
BDBM269544 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(Br)c1)c1ncc(C)cn1 |r|
BDBM269610 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(1.08,2.33,;-.25,1.55,;-1.59,2.32,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,;-3.05,1.61,;-3.05,.07,;-1.81,-.84,;-.47,-.07,;.86,-.84,;.09,-2.17,;1.63,-2.17,;2.2,-.07,;2.2,1.47,;3.53,-.84,;3.53,-2.38,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,;-2.28,-2.3,;-3.82,-2.3,;-4.3,-.84,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-8.09,-1.77,;-8.86,-3.11,;-6.55,-1.77,)|
BDBM269674 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OCCO)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(4.58,-2.87,;3.25,-2.1,;3.25,-.56,;1.91,.21,;1.91,1.75,;.58,-.56,;-.19,-1.9,;1.35,-1.9,;-.75,.21,;-2.09,-.56,;-2.56,-2.03,;-4.1,-2.03,;-4.58,-.56,;-6.12,-.56,;-6.89,.77,;-8.43,.77,;-9.2,-.56,;-8.43,-1.9,;-9.2,-3.23,;-8.43,-4.56,;-6.94,-4.96,;-5.61,-4.19,;-6.89,-1.9,;-3.33,.34,;-3.33,1.88,;-2,2.65,;-.67,1.88,;.67,2.65,;-2,4.19,;-3.33,4.96,;-4.67,4.19,;-4.67,2.65,;-6,1.88,;-7.33,2.65,;4.74,-.16,;5.82,-1.25,;7.31,-.85,;7.71,.63,;9.2,1.03,;6.62,1.72,;5.13,1.32,)|
BDBM269675 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2cccc(Cl)n2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.67,2.65,;-.67,1.88,;-2,2.65,;-2,4.19,;-3.33,4.96,;-4.67,4.19,;-4.67,2.65,;-6,1.88,;-7.33,2.65,;-3.33,1.88,;-3.33,.34,;-2.09,-.56,;-.75,.21,;.58,-.56,;-.19,-1.9,;1.35,-1.9,;1.91,.21,;1.91,1.75,;3.25,-.56,;3.25,-2.1,;4.74,-.16,;5.13,1.32,;6.62,1.72,;7.71,.63,;7.31,-.85,;8.4,-1.94,;5.82,-1.25,;-2.56,-2.03,;-4.1,-2.03,;-4.58,-.56,;-6.12,-.56,;-6.89,.77,;-8.43,.77,;-9.2,-.56,;-8.43,-1.9,;-6.89,-1.9,)|
BDBM269676 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](O)c2cccc(Cl)n2)nnc1-c1cccnc1 |r,wU:18.19,wD:16.17,(.67,2.65,;-.67,1.88,;-2,2.65,;-2,4.19,;-3.33,4.96,;-4.67,4.19,;-4.67,2.65,;-6,1.88,;-7.33,2.65,;-3.33,1.88,;-3.33,.34,;-2.09,-.56,;-.75,.21,;.58,-.56,;-.19,-1.9,;1.35,-1.9,;1.91,.21,;1.91,1.75,;3.25,-.56,;3.25,-2.1,;4.74,-.16,;5.13,1.32,;6.62,1.72,;7.71,.63,;7.31,-.85,;8.4,-1.94,;5.82,-1.25,;-2.56,-2.03,;-4.1,-2.03,;-4.58,-.56,;-6.12,-.56,;-6.89,.77,;-8.43,.77,;-9.2,-.56,;-8.43,-1.9,;-6.89,-1.9,)|
BDBM269677 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(OCC(C)(C)O)n1 |r,wU:16.17,18.19,(1.27,3.46,;.18,2.37,;-1.31,2.77,;-1.71,4.26,;-3.19,4.66,;-4.28,3.57,;-3.88,2.08,;-4.97,.99,;-6.46,1.39,;-2.4,1.68,;-2,.19,;-.53,-.28,;.8,.49,;2.13,-.28,;1.36,-1.62,;3.47,-1.05,;2.9,1.05,;2.13,2.39,;4.44,1.05,;5.21,-.28,;5.21,2.39,;4.44,3.72,;5.21,5.05,;6.75,5.05,;7.52,6.39,;7.52,3.72,;6.75,2.39,;-.53,-1.82,;-2,-2.3,;-2.9,-1.05,;-4.44,-1.05,;-5.21,.28,;-6.75,.28,;-7.52,-1.05,;-6.75,-2.39,;-7.52,-3.72,;-6.75,-5.05,;-5.21,-5.05,;-4.44,-3.72,;-4.44,-6.39,;-3.67,-5.05,;-5.21,-2.39,)|
BDBM269738 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)c2cn3ccccc3n2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-10.26,2.4,;-8.77,2,;-7.68,3.09,;-8.08,4.58,;-6.99,5.67,;-5.5,5.27,;-5.1,3.78,;-6.19,2.7,;-3.62,3.39,;-3.14,1.92,;-1.6,1.92,;-1.12,3.39,;.21,4.16,;1.54,3.39,;.77,2.05,;2.31,2.05,;2.88,4.16,;2.88,5.7,;4.21,3.39,;4.21,1.85,;5.54,4.16,;5.71,5.69,;7.21,6.01,;7.98,7.34,;9.52,7.34,;10.29,6.01,;9.52,4.67,;7.98,4.67,;6.95,3.53,;-2.37,4.29,;-2.37,5.83,;-3.7,6.6,;-5.04,5.83,;-6.37,6.6,;-3.7,8.14,;-2.37,8.91,;-1.04,8.14,;-1.04,6.6,;.3,5.83,;1.63,6.6,)|
BDBM269739 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2cn3ccccc3n2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-10.29,-8.35,;-8.8,-8.75,;-7.72,-7.66,;-8.11,-6.17,;-7.03,-5.09,;-5.54,-5.48,;-5.14,-6.97,;-6.23,-8.06,;-3.65,-7.37,;-3.18,-8.84,;-1.64,-8.84,;-1.16,-7.37,;.17,-6.6,;1.51,-7.37,;.74,-8.7,;2.28,-8.7,;2.84,-6.6,;2.84,-5.06,;4.17,-7.37,;4.17,-8.91,;5.51,-6.6,;5.67,-5.07,;7.18,-4.75,;7.95,-3.42,;9.49,-3.42,;10.26,-4.75,;9.49,-6.08,;7.95,-6.08,;6.92,-7.23,;-2.41,-6.47,;-2.41,-4.93,;-3.74,-4.16,;-5.07,-4.93,;-6.41,-4.16,;-3.74,-2.62,;-2.41,-1.85,;-1.07,-2.62,;-1.07,-4.16,;.26,-4.93,;1.6,-4.16,)|
BDBM269740 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)c2cn(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.22,1.18,;-8.62,2.67,;-7.53,3.76,;-7.93,5.25,;-6.84,6.33,;-5.36,5.94,;-4.96,4.45,;-6.05,3.36,;-3.47,4.05,;-2.99,2.58,;-1.45,2.58,;-.98,4.05,;.36,4.82,;1.69,4.05,;.92,2.72,;2.46,2.72,;3.02,4.82,;3.02,6.36,;4.36,4.05,;4.36,2.51,;5.69,4.82,;5.69,6.36,;7.16,6.84,;7.93,8.17,;8.06,5.59,;7.16,4.34,;-2.22,4.95,;-2.22,6.49,;-3.56,7.26,;-4.89,6.49,;-6.22,7.26,;-3.56,8.8,;-2.22,9.57,;-.89,8.8,;-.89,7.26,;.44,6.49,;1.78,7.26,)|
BDBM269741 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)c2cn(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.22,1.18,;-8.62,2.67,;-7.53,3.76,;-7.93,5.25,;-6.84,6.33,;-5.36,5.94,;-4.96,4.45,;-6.05,3.36,;-3.47,4.05,;-2.99,2.58,;-1.45,2.58,;-.98,4.05,;.36,4.82,;1.69,4.05,;.92,2.72,;2.46,2.72,;3.02,4.82,;3.02,6.36,;4.36,4.05,;4.36,2.51,;5.69,4.82,;5.69,6.36,;7.16,6.84,;7.93,8.17,;8.06,5.59,;7.16,4.34,;-2.22,4.95,;-2.22,6.49,;-3.56,7.26,;-4.89,6.49,;-6.22,7.26,;-3.56,8.8,;-2.22,9.57,;-.89,8.8,;-.89,7.26,;.44,6.49,;1.78,7.26,)|
BDBM269896 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(4.81,-3.92,;3.48,-3.15,;3.48,-1.61,;2.14,-.84,;2.14,.7,;.81,-1.61,;.04,-2.94,;1.58,-2.94,;-.52,-.84,;-1.86,-1.61,;-2.33,-3.07,;-3.87,-3.07,;-4.35,-1.61,;-5.84,-1.21,;-6.93,-2.3,;-8.41,-1.9,;-8.81,-.41,;-7.72,.68,;-8.12,2.16,;-6.24,.28,;-3.1,-.7,;-3.1,.84,;-1.77,1.61,;-.44,.84,;.9,1.61,;-1.77,3.15,;-3.1,3.92,;-4.44,3.15,;-4.44,1.61,;-5.77,.84,;-7.1,1.61,;4.81,-.84,;6.14,-1.61,;7.48,-.84,;7.48,.7,;8.81,1.47,;6.14,1.47,;4.81,.7,)|
BDBM269897 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:4.4,3.2,(4.81,-4.69,;4.81,-3.15,;3.48,-2.38,;3.48,-.84,;2.14,-.07,;2.14,1.47,;.81,-.84,;.04,-2.17,;1.58,-2.17,;-.52,-.07,;-1.86,-.84,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-8.12,2.93,;-6.24,1.05,;-3.1,.07,;-3.1,1.61,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-1.77,3.92,;-3.1,4.69,;-4.44,3.92,;-4.44,2.38,;-5.77,1.61,;-7.1,2.38,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,)|
BDBM269898 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:4.4,3.2,(4.81,-4.75,;4.81,-3.21,;3.48,-2.44,;3.48,-.9,;2.14,-.13,;2.14,1.41,;.81,-.9,;.04,-2.24,;1.58,-2.24,;-.52,-.13,;-1.86,-.9,;-2.33,-2.37,;-3.87,-2.37,;-4.35,-.9,;-5.84,-.5,;-6.24,.98,;-7.72,1.38,;-8.81,.29,;-8.41,-1.2,;-6.93,-1.59,;-3.1,0,;-3.5,1.78,;-2.41,2.87,;-1.08,2.1,;.25,2.87,;-2.81,4.35,;-4.3,4.75,;-5.39,3.66,;-4.99,2.18,;-6.48,1.78,;-6.88,3.27,;4.81,-.13,;6.14,-.9,;7.48,-.13,;7.48,1.41,;8.81,2.18,;6.14,2.18,;4.81,1.41,)|
BDBM269945 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(cc1C#N)C#N |r,wD:3.3,2.1,(-2.87,-10.26,;-1.96,-9.02,;-.43,-9.18,;.48,-7.93,;2.01,-8.09,;-.15,-6.52,;-1.56,-7.15,;1.26,-5.9,;-.78,-5.12,;.13,-3.87,;1.67,-3.87,;2.14,-2.41,;.9,-1.5,;.9,.04,;-.44,.81,;-.44,2.35,;.9,3.12,;2.23,2.35,;3.56,3.12,;2.23,.81,;-.35,-2.41,;-1.81,-1.93,;-2.13,-.42,;-.99,.61,;-1.31,2.11,;-3.6,.05,;-4.74,-.98,;-4.42,-2.49,;-2.96,-2.96,;-2.64,-4.47,;-3.78,-5.5,;.2,-10.58,;1.73,-10.75,;2.35,-12.15,;1.45,-13.4,;-.08,-13.24,;-.71,-11.83,;-2.24,-11.67,;-3.77,-11.51,;2.08,-14.8,;2.7,-16.21,)|
BDBM270070 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ccnc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.46,-4.99,;4.13,-4.22,;4.13,-2.68,;2.79,-1.91,;2.79,-.37,;1.46,-2.68,;.13,-3.45,;2.23,-4.01,;.69,-1.34,;-.85,-1.34,;-1.76,-2.59,;-3.22,-2.11,;-3.22,-.57,;-4.31,.27,;-3.91,1.75,;-5,2.84,;-6.49,2.44,;-6.89,.96,;-8.37,.56,;-9.46,1.65,;-5.8,-.13,;-1.76,-.1,;-1.11,2.01,;.38,2.41,;1.47,1.32,;2.96,1.72,;.78,3.9,;-.31,4.99,;-1.8,4.59,;-2.2,3.1,;-3.68,2.7,;-4.77,3.79,;5.46,-1.91,;6.79,-2.68,;8.13,-1.91,;8.13,-.37,;9.46,.4,;6.79,.4,;5.46,-.37,)|
BDBM270071 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncnn1C |r,wD:3.3,2.1,(5.73,-4.99,;4.4,-4.22,;4.4,-2.68,;3.06,-1.91,;3.06,-.37,;1.73,-2.68,;.4,-3.45,;2.5,-4.01,;.96,-1.34,;-.58,-1.34,;-1.48,-2.59,;-2.95,-2.11,;-2.95,-.57,;-4.04,.27,;-3.64,1.75,;-4.73,2.84,;-6.22,2.44,;-6.61,.96,;-8.1,.56,;-5.53,-.13,;-1.48,-.1,;-.84,2.01,;-1.93,3.1,;-3.41,2.7,;-4.5,3.79,;-1.53,4.59,;-.04,4.99,;1.05,3.9,;.65,2.41,;1.74,1.32,;3.23,1.72,;5.73,-1.91,;5.73,-.37,;7.2,.11,;8.1,-1.14,;7.2,-2.38,;7.97,-3.72,)|
BDBM270072 COCCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:19.20,21.22,(-11.51,-5.43,;-10.74,-4.1,;-9.2,-4.1,;-8.43,-2.76,;-6.89,-2.76,;-6.12,-1.43,;-6.89,-.1,;-6.12,1.24,;-4.58,1.24,;-3.81,-.1,;-4.58,-1.43,;-2.27,-.1,;-1.79,-1.56,;-.25,-1.56,;.22,-.1,;1.56,.67,;2.89,-.1,;3.66,-1.43,;2.12,-1.43,;4.22,.67,;4.22,2.21,;5.56,-.1,;5.56,-1.64,;7.05,.3,;8.13,-.79,;9.62,-.39,;10.02,1.1,;11.51,1.5,;8.93,2.19,;7.44,1.79,;-1.02,.81,;-1.02,2.35,;-2.36,3.12,;-3.69,2.35,;-5.02,3.12,;-2.36,4.66,;-1.02,5.43,;.31,4.66,;.31,3.12,;1.64,2.35,;2.98,3.12,)|
BDBM270075 CNc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-9.97,-4.1,;-8.43,-4.1,;-7.66,-2.76,;-8.43,-1.43,;-7.66,-.1,;-6.12,-.1,;-5.35,-1.43,;-6.12,-2.76,;-3.81,-1.43,;-3.33,-2.89,;-1.79,-2.89,;-1.32,-1.43,;.02,-.66,;1.35,-1.43,;2.12,-2.76,;.58,-2.76,;2.68,-.66,;2.68,.88,;4.02,-1.43,;4.02,-2.97,;5.51,-1.03,;6.59,-2.12,;8.08,-1.72,;8.48,-.23,;9.97,.17,;7.39,.86,;5.9,.46,;-2.56,-.52,;-2.56,1.02,;-3.9,1.79,;-5.23,1.02,;-6.56,1.79,;-3.9,3.33,;-2.56,4.1,;-1.23,3.33,;-1.23,1.79,;.1,1.02,;1.44,1.79,)|
BDBM270137 COc1cnc(cn1)[C@H](C)[C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wD:10.11,8.9,(9.65,-2.2,;8.56,-1.11,;7.08,-1.51,;5.99,-.42,;4.5,-.82,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;2.61,-2.71,;2.21,-4.2,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,)|
BDBM270140 COc1cnc(cn1)[C@H](O)[C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wU:10.11,wD:8.9,(9.65,-2.2,;8.56,-1.11,;7.08,-1.51,;5.99,-.42,;4.5,-.82,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;2.61,-2.71,;2.21,-4.2,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,)|
BDBM270201 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](O)c2ccc(C)nn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(-6.61,-3,;-5.28,-3.77,;-3.94,-3,;-3.94,-1.46,;-2.61,-.69,;-1.27,-1.46,;-1.27,-3,;.06,-3.77,;1.39,-3,;-2.61,-3.77,;-2.61,-5.31,;-1.36,-6.21,;-.03,-5.44,;1.31,-6.21,;2.08,-7.55,;.54,-7.55,;2.64,-5.44,;2.64,-3.9,;3.97,-6.21,;3.97,-7.75,;5.31,-5.44,;6.64,-6.21,;7.97,-5.44,;7.97,-3.9,;9.31,-3.13,;6.64,-3.13,;5.31,-3.9,;-1.84,-7.68,;-3.38,-7.68,;-3.85,-6.21,;-5.34,-5.81,;-5.74,-4.33,;-7.23,-3.93,;-8.32,-5.02,;-7.92,-6.5,;-9.01,-7.59,;-6.43,-6.9,)|
BDBM270202 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](O)c2ccc(C)nn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(-6.67,-3.11,;-5.34,-3.88,;-4,-3.11,;-4,-1.57,;-2.67,-.8,;-1.34,-1.57,;-1.34,-3.11,;-0,-3.88,;1.33,-3.11,;-2.67,-3.88,;-2.67,-5.42,;-1.43,-6.32,;-.09,-5.55,;1.24,-6.32,;2.01,-7.66,;.47,-7.66,;2.58,-5.55,;2.58,-4.01,;3.91,-6.32,;3.91,-7.86,;5.24,-5.55,;6.58,-6.32,;7.91,-5.55,;7.91,-4.01,;9.24,-3.24,;6.58,-3.24,;5.24,-4.01,;-1.9,-7.79,;-3.44,-7.79,;-3.92,-6.32,;-5.4,-5.93,;-6.49,-7.01,;-7.98,-6.62,;-8.38,-5.13,;-7.29,-4.04,;-7.69,-2.55,;-5.8,-4.44,)|
BDBM269545 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccccc1C)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;-.68,1.61,;.65,.84,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269546 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(C)c1)c1ncc(C)cn1 |r|
BDBM269547 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(F)c(c1)C(F)(F)F)c1ncc(C)cn1 |r|
BDBM269548 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(OC)c1)c1ncc(C)cn1 |r|
BDBM269549 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(F)cc1)c1ncc(C)cn1 |r|
BDBM269550 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(Cl)c1)c1ncc(C)cn1 |r|
BDBM269678 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OCC(C)(C)O)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(6.75,-.28,;5.21,-.28,;4.44,1.05,;2.9,1.05,;2.13,2.39,;2.13,-.28,;1.36,-1.62,;3.47,-1.05,;.8,.49,;-.53,-.28,;-.53,-1.82,;-2,-2.3,;-2.9,-1.05,;-4.44,-1.05,;-5.21,.28,;-6.75,.28,;-7.52,-1.05,;-6.75,-2.39,;-7.52,-3.72,;-6.75,-5.05,;-5.21,-5.05,;-4.44,-3.72,;-4.44,-6.39,;-3.67,-5.05,;-5.21,-2.39,;-2,.19,;-2.4,1.68,;-1.31,2.77,;.18,2.37,;1.27,3.46,;-1.71,4.26,;-3.19,4.66,;-4.28,3.57,;-3.88,2.08,;-4.97,.99,;-6.46,1.39,;5.21,2.39,;4.44,3.72,;5.21,5.05,;6.75,5.05,;7.52,6.39,;7.52,3.72,;6.75,2.39,)|
BDBM269679 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(OCC(O)(C(F)(F)F)C(F)(F)F)n1 |r,wD:16.17,18.19,(1.11,4.72,;.79,3.22,;1.94,2.19,;3.4,2.66,;4.54,1.63,;4.22,.13,;2.76,-.35,;2.44,-1.86,;3.58,-2.89,;1.62,.68,;.15,.21,;-.33,-1.26,;.58,-2.51,;-.05,-3.91,;-1.45,-3.29,;1.36,-4.54,;-.67,-5.32,;-2.2,-5.48,;.23,-6.56,;1.76,-6.4,;-.39,-7.97,;.51,-9.22,;-.12,-10.62,;-1.65,-10.79,;-2.27,-12.19,;-2.55,-9.54,;-1.93,-8.13,;-1.87,-1.26,;-2.34,.21,;-1.1,1.11,;-1.1,2.65,;.24,3.42,;.24,4.96,;-1.1,5.73,;-2.43,4.96,;-3.76,5.73,;-3.76,7.27,;-5.1,8.04,;-4.33,9.37,;-6.43,8.81,;-7.76,9.58,;-5.66,10.14,;-7.2,7.48,;-5.87,6.71,;-6.64,5.37,;-7.4,6.55,;-4.53,5.94,;-2.43,3.42,)|
BDBM269680 CNc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.39,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.39,;2.13,1.72,;4.44,.39,;5.21,-.95,;6.75,-.95,;5.21,1.72,;4.44,3.05,;5.21,4.39,;6.75,4.39,;7.52,5.72,;7.52,3.05,;6.75,1.72,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)|
BDBM269681 COCCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:19.20,21.22,(-2.9,-4.39,;-4.44,-4.39,;-5.21,-5.72,;-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.39,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.39,;2.13,1.72,;4.44,.39,;5.21,-.95,;6.75,-.95,;5.21,1.72,;4.44,3.05,;5.21,4.39,;6.75,4.39,;7.52,5.72,;7.52,3.05,;6.75,1.72,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)|
BDBM269742 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2cc(C)n(C)n2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.69,-9.57,;-9.09,-8.09,;-8,-7,;-8.39,-5.51,;-7.31,-4.42,;-5.82,-4.82,;-5.42,-6.31,;-6.51,-7.4,;-3.93,-6.71,;-3.46,-8.17,;-1.92,-8.17,;-1.44,-6.71,;-.11,-5.94,;1.23,-6.71,;.46,-8.04,;2,-8.04,;2.56,-5.94,;2.56,-4.4,;3.89,-6.71,;3.89,-8.25,;5.23,-5.94,;5.23,-4.4,;6.69,-3.92,;7.46,-2.59,;7.6,-5.17,;9.09,-5.57,;6.69,-6.41,;-2.69,-5.8,;-2.69,-4.26,;-4.02,-3.49,;-5.35,-4.26,;-6.69,-3.49,;-4.02,-1.95,;-2.69,-1.18,;-1.35,-1.95,;-1.35,-3.49,;-.02,-4.26,;1.31,-3.49,)|
BDBM269743 COc1cccc(OC)c1\N=C(/CS(=O)(=O)[C@@H](C)[C@H](C)c1ncc(C)cn1)NNC(=O)c1cncc(C)c1 |r|
BDBM269744 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1-c1c(OC)cccc1OC |r,wD:23.24,(-9.1,-9.61,;-9.5,-8.12,;-8.41,-7.03,;-8.81,-5.55,;-7.72,-4.46,;-6.23,-4.86,;-5.83,-6.34,;-6.92,-7.43,;-4.34,-6.74,;-3.87,-8.21,;-2.33,-8.21,;-1.85,-6.74,;-.37,-6.34,;.03,-4.86,;1.52,-4.46,;2.29,-3.12,;1.52,-1.79,;3.06,-1.79,;3.78,-2.73,;.97,-7.11,;.2,-8.45,;1.74,-8.45,;2.3,-6.34,;3.64,-7.11,;3.64,-8.65,;4.97,-6.34,;6.3,-7.11,;7.64,-6.34,;7.64,-4.8,;8.97,-4.03,;6.3,-4.03,;4.97,-4.8,;-3.1,-5.84,;-3.1,-4.3,;-1.76,-3.53,;-.43,-4.3,;.9,-3.53,;-1.76,-1.99,;-3.1,-1.22,;-4.43,-1.99,;-4.43,-3.53,;-5.77,-4.3,;-7.1,-3.53,)|
BDBM269745 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-9,-9.59,;-9.39,-8.11,;-8.3,-7.02,;-8.7,-5.53,;-7.61,-4.44,;-6.13,-4.84,;-5.73,-6.33,;-6.82,-7.41,;-4.24,-6.72,;-3.76,-8.19,;-2.22,-8.19,;-1.75,-6.72,;-.42,-5.95,;.92,-6.72,;.15,-8.06,;1.69,-8.06,;2.25,-5.95,;3.59,-6.72,;3.59,-8.26,;4.92,-5.95,;6.25,-6.72,;7.59,-5.95,;7.59,-4.41,;8.92,-3.64,;6.25,-3.64,;4.92,-4.41,;-2.99,-5.82,;-2.99,-4.28,;-1.66,-3.51,;-.33,-4.28,;1.01,-3.51,;-1.66,-1.97,;-2.99,-1.2,;-4.33,-1.97,;-4.33,-3.51,;-5.66,-4.28,;-7,-3.51,)|
BDBM269841 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(O)n2)n1-c1c(O)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,wD:2.1,(1.99,-9.13,;3.32,-8.36,;3.32,-6.82,;1.99,-6.05,;1.99,-4.51,;.65,-6.82,;-.12,-8.16,;1.42,-8.16,;-.68,-6.05,;-2.01,-6.82,;-2.49,-8.29,;-4.03,-8.29,;-4.5,-6.82,;-5.84,-6.05,;-6.61,-4.72,;-8.15,-4.72,;-8.92,-6.05,;-8.15,-7.39,;-8.92,-8.72,;-6.61,-7.39,;-3.26,-5.92,;-3.26,-4.05,;-4.59,-3.28,;-5.93,-4.05,;-4.59,-1.74,;-3.26,-.97,;-1.92,-1.74,;-1.88,-3.31,;-.54,-4.08,;.79,-3.31,;4.66,-6.05,;5.99,-6.82,;7.32,-6.05,;7.32,-4.51,;8.66,-3.74,;5.99,-3.74,;4.66,-4.51,)|
BDBM269842 CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,wD:2.1,(2.52,-13.99,;3.85,-13.22,;3.85,-11.68,;2.52,-10.91,;2.52,-9.37,;1.19,-11.68,;.42,-13.01,;1.96,-13.01,;-.15,-10.91,;-1.48,-11.68,;-1.96,-13.14,;-3.5,-13.14,;-3.97,-11.68,;-5.31,-10.91,;-6.08,-9.57,;-7.62,-9.57,;-8.39,-10.91,;-7.62,-12.24,;-8.39,-13.58,;-9.93,-13.58,;-6.08,-12.24,;-2.73,-10.77,;-2.73,-8.87,;-1.35,-8.13,;-.01,-8.9,;1.32,-8.13,;-1.39,-6.56,;-2.73,-5.79,;-4.06,-6.56,;-4.06,-8.1,;-5.39,-8.87,;-6.73,-8.1,;5.19,-10.91,;6.52,-11.68,;7.85,-10.91,;7.85,-9.37,;9.19,-8.6,;6.52,-8.6,;5.19,-9.37,)|
BDBM269899 CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wD:4.4,3.2,(3.83,-5.77,;2.3,-5.93,;1.39,-4.68,;-.14,-4.84,;-1.04,-3.6,;-2.57,-3.76,;-.42,-2.19,;-1.82,-1.56,;.99,-2.81,;.21,-.78,;-.69,.46,;-2.23,.46,;-2.71,1.93,;-1.46,2.83,;-1.46,4.37,;-.13,5.14,;-.13,6.68,;-1.46,7.45,;-2.8,6.68,;-2.8,5.14,;-.22,1.93,;1.25,2.41,;2.39,1.37,;2.07,-.13,;3.21,-1.16,;3.85,1.85,;4.17,3.36,;3.03,4.39,;1.57,3.91,;.42,4.94,;.74,6.45,;-.76,-6.25,;.14,-7.49,;-.48,-8.9,;-2.02,-9.06,;-2.64,-10.47,;-2.92,-7.82,;-2.3,-6.41,)|
BDBM269900 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wU:24.25,wD:22.23,(-7.94,-18.77,;-6.46,-19.17,;-5.37,-18.08,;-5.77,-16.59,;-4.68,-15.5,;-3.19,-15.9,;-2.79,-17.39,;-3.88,-18.48,;-1.3,-17.79,;-.83,-19.25,;.71,-19.25,;1.19,-17.79,;2.52,-17.02,;2.52,-15.48,;3.86,-14.71,;3.86,-13.17,;5.19,-12.4,;2.52,-12.4,;3.86,-11.63,;3.86,-17.79,;4.63,-16.46,;3.09,-19.12,;5.19,-18.56,;5.19,-20.1,;6.52,-17.79,;6.52,-16.25,;7.86,-18.56,;9.19,-17.79,;7.86,-20.1,;9.19,-19.33,;-.06,-16.88,;-.85,-14.53,;.24,-13.44,;1.72,-13.84,;2.81,-12.75,;-.16,-11.95,;-1.65,-11.56,;-2.74,-12.64,;-2.34,-14.13,;-3.43,-15.22,;-4.92,-14.82,)|
BDBM269948 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2S(C)(=O)=O)n1-c1c(OC)cccc1OC |r,wD:23.24,(-9.02,-10.12,;-9.42,-8.63,;-8.33,-7.54,;-8.73,-6.05,;-7.64,-4.96,;-6.15,-5.36,;-5.76,-6.85,;-6.84,-7.94,;-4.27,-7.25,;-3.79,-8.71,;-2.25,-8.71,;-1.78,-7.25,;-.44,-6.48,;-1.21,-7.81,;-.44,-9.14,;-1.21,-10.48,;-2.55,-9.71,;.12,-11.25,;-1.98,-11.81,;.89,-7.25,;1.66,-8.58,;.12,-8.58,;2.23,-6.48,;3.56,-7.25,;3.56,-8.79,;4.89,-6.48,;6.23,-7.25,;7.56,-6.48,;7.56,-4.94,;8.89,-4.17,;6.23,-4.17,;4.89,-4.94,;3.56,-4.17,;2.23,-4.94,;2.79,-2.83,;4.33,-2.83,;-3.02,-6.34,;-3.02,-4.8,;-4.36,-4.03,;-5.69,-4.8,;-7.02,-4.03,;-4.36,-2.49,;-3.02,-1.72,;-1.69,-2.49,;-1.69,-4.03,;-.35,-4.8,;.98,-4.03,)|
BDBM270076 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ccc(Br)c(C)n2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(-7.33,1.22,;-6,.45,;-4.67,1.22,;-4.67,2.76,;-3.33,3.53,;-2,2.76,;-2,1.22,;-.67,.45,;.67,1.22,;-3.33,.45,;-3.33,-1.09,;-2.09,-1.99,;-.75,-1.22,;.58,-1.99,;1.35,-3.33,;-.19,-3.33,;1.91,-1.22,;1.91,.32,;3.25,-1.99,;3.25,-3.53,;4.74,-1.59,;5.13,-.11,;6.62,.29,;7.71,-.8,;9.2,-.4,;7.31,-2.28,;8.4,-3.37,;5.82,-2.68,;-2.56,-3.46,;-4.1,-3.46,;-4.58,-1.99,;-6.12,-1.99,;-6.89,-.66,;-8.43,-.66,;-9.2,-1.99,;-8.43,-3.33,;-6.89,-3.33,)|
BDBM270142 COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(-7.24,1.89,;-5.91,1.12,;-4.58,1.89,;-4.58,3.43,;-3.24,4.2,;-1.91,3.43,;-1.91,1.89,;-.57,1.12,;.76,1.89,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.19,-3.35,;1.35,-3.35,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.73,-3.4,;7.22,-3,;7.62,-1.51,;9.11,-1.11,;6.53,-.42,;5.04,-.82,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,-2.66,;-8.34,-2.66,;-9.11,-1.33,;-8.34,.01,;-6.8,.01,)|
BDBM270143 COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)n1-c1c(OC)ncnc1OC |r,wU:16.17,18.19,(-8.34,-4.76,;-9.11,-3.43,;-8.34,-2.1,;-9.11,-.76,;-8.34,.57,;-6.8,.57,;-6.03,-.76,;-6.8,-2.1,;-4.49,-.76,;-4.01,-2.23,;-2.47,-2.23,;-2,-.76,;-.51,-.36,;.58,-1.45,;-.19,-2.79,;1.35,-2.79,;2.07,-1.05,;2.47,.43,;3.16,-2.14,;2.76,-3.63,;4.64,-1.74,;5.73,-2.83,;7.22,-2.43,;7.62,-.95,;9.11,-.55,;6.53,.14,;5.04,-.26,;-3.24,.14,;-3.24,1.68,;-4.58,2.45,;-5.91,1.68,;-7.24,2.45,;-4.58,3.99,;-3.24,4.76,;-1.91,3.99,;-1.91,2.45,;-.57,1.68,;.76,2.45,)|
BDBM270144 CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wD:3.3,2.1,(.73,-4.6,;2.21,-4.2,;2.61,-2.71,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;7.08,-1.51,;8.56,-1.11,;5.99,-.42,;4.5,-.82,)|
BDBM270205 COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1ccccn1 |r,wU:18.19,16.17,(-6.68,-.03,;-5.19,-.43,;-4.1,.66,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;-2.62,.26,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;4.36,1.67,;5.13,3.01,;6.67,3.01,;7.44,4.34,;7.44,1.67,;6.67,.34,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,)|
BDBM270206 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1ccccn1 |r,wU:18.19,16.17,(-6.68,-.03,;-5.19,-.43,;-4.1,.66,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;-2.62,.26,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;4.36,1.67,;5.13,3.01,;6.67,3.01,;7.44,4.34,;7.44,1.67,;6.67,.34,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,)|
BDBM270207 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccccn1 |r,wU:18.19,16.17,(-6.68,-.03,;-5.19,-.43,;-4.1,.66,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;-2.62,.26,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,)|
BDBM270208 COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccccn1 |r,wU:18.19,16.17,(-6.68,-.03,;-5.19,-.43,;-4.1,.66,;-4.5,2.15,;-3.41,3.23,;-1.93,2.84,;-1.53,1.35,;-.04,.95,;1.05,2.04,;-2.62,.26,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;3.39,-3.1,;1.28,-3.66,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,)|
BDBM269551 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(F)cc1Cl)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-4.69,;4.57,-3.92,;4.57,-2.38,;3.23,-1.61,;3.23,-.07,;1.9,-2.38,;1.13,-3.71,;2.67,-3.71,;.57,-1.61,;-.77,-2.38,;-1.24,-3.84,;-2.78,-3.84,;-3.26,-2.38,;-4.75,-1.98,;-5.15,-.49,;-6.63,-.09,;-7.72,-1.18,;-7.32,-2.67,;-8.41,-3.76,;-9.9,-3.36,;-5.84,-3.07,;-2.01,-1.47,;-2.01,.07,;-3.35,.84,;-3.35,2.38,;-2.01,3.15,;-2.01,4.69,;-.68,2.38,;-.68,.84,;.65,.07,;5.9,-1.61,;7.23,-2.38,;8.57,-1.61,;8.57,-.07,;9.9,.7,;7.23,.7,;5.9,-.07,)|
BDBM269552 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cc(Cl)cc(Cl)c1)c1ncc(C)cn1 |r|
BDBM269553 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccccc1Cl)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;-.68,1.61,;.65,.84,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269554 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(C)c1C)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;.65,3.92,;-.68,1.61,;.65,.84,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
BDBM269555 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1ccc(F)c(F)c1)c1ncc(C)cn1 |r|
BDBM269620 COc1cc(ccn1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-10.4,-3.11,;-8.86,-3.11,;-8.09,-1.77,;-6.55,-1.77,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-4.3,-.84,;-3.82,-2.3,;-2.28,-2.3,;-1.81,-.84,;-.47,-.07,;.86,-.84,;.09,-2.17,;1.63,-2.17,;2.2,-.07,;2.2,1.47,;3.53,-.84,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,)|
BDBM269621 COc1cc(ccn1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,1.97,;-8.89,.64,;-8.12,-.7,;-6.58,-.7,;-5.81,-2.03,;-6.58,-3.36,;-8.12,-3.36,;-8.89,-2.03,;-4.27,-2.03,;-3.79,-3.49,;-2.25,-3.49,;-1.78,-2.03,;-.45,-1.26,;.89,-2.03,;.12,-3.36,;1.66,-3.36,;2.22,-1.26,;2.22,.28,;3.56,-2.03,;4.89,-1.26,;6.22,-2.03,;7.56,-1.26,;7.56,.28,;8.89,1.05,;6.22,1.05,;4.89,.28,;-3.02,-1.13,;-3.02,.41,;-1.69,1.18,;-.36,.41,;.98,1.18,;-1.69,2.72,;-3.02,3.49,;-4.36,2.72,;-4.36,1.18,;-5.69,.41,;-7.03,1.18,)|
BDBM269682 CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(n2)N(C)C)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(6.85,-3.21,;5.36,-2.82,;4.96,-1.33,;3.48,-.93,;3.08,.56,;2.39,-2.02,;1.3,-3.11,;3.48,-3.11,;1.3,-.93,;-.19,-1.33,;-.66,-2.79,;-2.2,-2.79,;-2.68,-1.33,;-4.17,-.93,;-4.57,.56,;-6.05,.96,;-7.14,-.13,;-6.74,-1.62,;-5.26,-2.02,;-7.83,-2.71,;-9.32,-2.31,;-7.43,-4.2,;-1.43,-.42,;-1.43,1.12,;-.1,1.89,;1.23,1.12,;2.57,1.89,;-.1,3.43,;-1.43,4.2,;-2.77,3.43,;-2.77,1.89,;-4.1,1.12,;-5.44,1.89,;6.05,-.24,;7.54,-.64,;8.63,.45,;8.23,1.94,;9.32,3.03,;6.74,2.34,;5.66,1.25,)|
BDBM269683 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1cccnc1 |r,wU:16.17,18.19,(.76,1.89,;-.57,1.12,;-1.91,1.89,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;-7.24,1.89,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.19,-3.35,;1.35,-3.35,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.04,-.82,;6.53,-.42,;7.62,-1.51,;9.11,-1.11,;7.22,-3,;5.73,-3.4,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,.01,;-8.34,.01,;-9.11,-1.33,;-8.34,-2.66,;-6.8,-2.66,)|
BDBM269684 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(.76,1.89,;-.57,1.12,;-1.91,1.89,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;-7.24,1.89,;-3.24,1.12,;-3.24,-.42,;-2,-1.33,;-.51,-.93,;.58,-2.02,;-.19,-3.35,;1.35,-3.35,;2.07,-1.62,;2.47,-.13,;3.16,-2.71,;2.76,-4.2,;4.64,-2.31,;5.04,-.82,;6.53,-.42,;7.62,-1.51,;9.11,-1.11,;7.22,-3,;5.73,-3.4,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,-2.66,;-8.34,-2.66,;-9.11,-1.33,;-8.34,.01,;-9.11,1.34,;-6.8,.01,)|
BDBM269685 COc1cccc(n1)-c1nnc(NS(=O)(=O)CCc2ccc(F)cc2[N+]#[C-])n1-c1c(OC)cccc1OC |(-8.08,-4.76,;-8.85,-3.43,;-8.08,-2.1,;-8.85,-.76,;-8.08,.57,;-6.54,.57,;-5.77,-.76,;-6.54,-2.1,;-4.23,-.76,;-3.75,-2.23,;-2.21,-2.23,;-1.73,-.76,;-.25,-.36,;.84,-1.45,;.07,-2.79,;1.61,-2.79,;2.18,-.68,;3.51,-1.45,;4.84,-.68,;6.18,-1.45,;7.51,-.68,;7.51,.86,;8.85,1.63,;6.18,1.63,;4.73,.94,;3.4,1.71,;2.07,2.49,;-2.98,.14,;-2.98,1.68,;-1.65,2.45,;-.31,1.68,;1.02,2.45,;-1.65,3.99,;-2.98,4.76,;-4.31,3.99,;-4.31,2.45,;-5.65,1.68,;-6.98,2.45,)|
BDBM269746 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.33,-9.35,;-8.72,-7.86,;-7.63,-6.78,;-8.03,-5.29,;-6.94,-4.2,;-5.45,-4.6,;-5.06,-6.09,;-6.15,-7.18,;-3.72,-6.86,;-3.25,-8.32,;-1.71,-8.32,;-1.23,-6.86,;.1,-6.09,;1.44,-6.86,;.67,-8.19,;2.21,-8.19,;2.77,-6.09,;4.1,-6.86,;4.1,-8.4,;5.44,-6.09,;6.77,-6.86,;8.1,-6.09,;8.1,-4.55,;9.44,-3.78,;6.77,-3.78,;5.44,-4.55,;-2.48,-5.95,;-2.48,-3.69,;-3.81,-2.92,;-5.14,-3.69,;-6.48,-2.92,;-3.81,-1.38,;-2.48,-.61,;-1.14,-1.38,;-1.14,-2.92,;.19,-3.69,;1.52,-2.92,)|
BDBM269747 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)C[C@@H](O)c2ccc(F)cc2Br)n1-c1c(OC)cccc1OC |r,wD:23.24,(-8.2,-11.61,;-8.6,-10.12,;-7.51,-9.03,;-7.9,-7.54,;-6.81,-6.46,;-5.33,-6.86,;-4.93,-8.35,;-6.02,-9.43,;-3.6,-9.12,;-3.12,-10.58,;-1.58,-10.58,;-1.1,-9.12,;.23,-8.35,;.63,-6.86,;2.12,-6.46,;2.51,-4.97,;4,-4.57,;1.43,-3.88,;2.91,-3.48,;1.56,-9.12,;.79,-10.45,;2.33,-10.45,;2.9,-8.35,;4.23,-9.12,;4.23,-10.66,;5.56,-8.35,;5.56,-6.81,;6.9,-6.04,;8.23,-6.81,;9.57,-6.04,;8.23,-8.35,;6.9,-9.12,;6.9,-10.66,;-2.35,-8.21,;-2.35,-3.78,;-3.68,-3.01,;-5.02,-3.78,;-6.35,-3.01,;-3.68,-1.47,;-2.35,-.7,;-1.02,-1.47,;-1.02,-3.01,;.32,-3.78,;1.65,-3.01,)|
BDBM269748 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(F)cc2S(C)(=O)=O)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.29,-9.17,;-8.68,-7.68,;-7.59,-6.59,;-7.99,-5.11,;-6.89,-4.02,;-5.41,-4.42,;-5.01,-5.91,;-6.1,-7,;-3.68,-6.68,;-3.2,-8.14,;-1.66,-8.14,;-1.19,-6.68,;.15,-5.91,;1.48,-6.68,;.71,-8.01,;2.25,-8.01,;2.81,-5.91,;4.15,-6.68,;4.15,-8.22,;5.48,-5.91,;5.48,-4.37,;6.82,-3.6,;8.15,-4.37,;9.48,-3.6,;8.15,-5.91,;6.82,-6.68,;6.82,-8.22,;5.48,-8.99,;8.15,-8.99,;8.15,-7.45,;-2.43,-5.77,;-2.43,-3.69,;-3.77,-2.92,;-5.1,-3.69,;-6.43,-2.92,;-3.77,-1.38,;-2.43,-.61,;-1.1,-1.38,;-1.1,-2.92,;.24,-3.69,;1.57,-2.92,)|
BDBM269749 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(F)cc2S(C)(=O)=O)n1-c1c(OC)cccc1OC |r,wD:17.18,(-8.33,-9.33,;-8.73,-7.84,;-7.63,-6.76,;-8.03,-5.27,;-6.94,-4.18,;-5.45,-4.58,;-5.06,-6.07,;-6.15,-7.16,;-3.72,-6.84,;-3.25,-8.31,;-1.71,-8.31,;-1.23,-6.84,;.1,-6.07,;1.44,-6.84,;.67,-8.18,;2.21,-8.18,;2.77,-6.07,;4.1,-6.84,;4.1,-8.38,;5.44,-6.07,;5.44,-4.53,;6.77,-3.76,;8.1,-4.53,;9.44,-3.76,;8.1,-6.07,;6.77,-6.84,;6.77,-8.38,;5.44,-9.15,;8.1,-9.15,;8.1,-7.61,;-2.48,-5.94,;-2.48,-3.85,;-3.81,-3.08,;-5.14,-3.85,;-6.48,-3.08,;-3.81,-1.54,;-2.48,-.77,;-1.14,-1.54,;-1.14,-3.08,;.19,-3.85,;1.52,-3.08,)|
BDBM269805 CO[C@H](CS(=O)(=O)N(CC[Si](C)(C)C)c1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(F)cn1 |r,wD:2.1,(7.55,-13.31,;6.01,-13.31,;5.24,-11.97,;3.7,-11.97,;2.93,-13.31,;2.16,-14.64,;4.26,-14.08,;1.59,-12.54,;1.59,-11,;2.93,-10.23,;2.93,-8.69,;4.47,-8.69,;1.46,-8.21,;2.93,-7.15,;.26,-13.31,;.26,-14.85,;-1.21,-15.32,;-2.11,-14.08,;-3.6,-13.68,;-4,-12.19,;-5.48,-11.79,;-6.57,-12.88,;-6.17,-14.37,;-7.26,-15.46,;-6.87,-16.95,;-4.69,-14.77,;-1.21,-12.83,;-1.78,-10.69,;-.69,-9.6,;.8,-10,;1.89,-8.91,;-1.09,-8.11,;-2.58,-7.71,;-3.67,-8.8,;-3.27,-10.29,;-4.36,-11.38,;-5.84,-10.98,;6.01,-10.64,;5.24,-9.31,;6.01,-7.97,;7.55,-7.97,;8.32,-6.64,;8.32,-9.31,;7.55,-10.64,)|
BDBM269808 COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(Br)cn2)n1-c1c(OC)cccc1OC |r,wD:17.18,(-6.86,-17.57,;-7.26,-16.08,;-6.17,-14.99,;-6.57,-13.5,;-5.48,-12.42,;-3.99,-12.81,;-3.59,-14.3,;-4.68,-15.39,;-2.11,-14.7,;-1.2,-15.95,;.26,-15.47,;.26,-13.93,;1.6,-13.16,;2.93,-13.93,;2.16,-15.26,;4.27,-14.7,;3.7,-12.6,;5.24,-12.6,;6.01,-13.93,;6.01,-11.26,;5.24,-9.93,;6.01,-8.6,;7.55,-8.6,;8.32,-7.26,;8.32,-9.93,;7.55,-11.26,;-1.2,-13.45,;-1.77,-11.31,;-.69,-10.22,;.8,-10.62,;1.89,-9.53,;-1.08,-8.74,;-2.57,-8.34,;-3.66,-9.43,;-3.26,-10.91,;-4.35,-12,;-5.84,-11.6,)|
BDBM269845 COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(Cl)cc2)nnc1-c1ccccn1 |(1.32,-8.51,;-.01,-9.28,;-1.35,-8.51,;-1.39,-6.95,;-2.73,-6.18,;-4.06,-6.95,;-4.06,-8.49,;-5.39,-9.26,;-6.73,-8.49,;-2.73,-9.26,;-2.73,-11.16,;-1.48,-12.06,;-.15,-11.29,;1.19,-12.06,;.42,-13.4,;1.96,-13.4,;2.52,-11.29,;3.85,-12.06,;5.19,-11.29,;6.52,-12.06,;7.85,-11.29,;7.85,-9.75,;9.19,-8.98,;6.52,-8.98,;5.19,-9.75,;-1.96,-13.53,;-3.5,-13.53,;-3.97,-12.06,;-5.31,-11.29,;-6.08,-9.96,;-7.62,-9.96,;-8.39,-11.29,;-7.62,-12.63,;-6.08,-12.63,)|
BDBM269846 COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(Cl)cc2)nnc1-c1cccnc1 |(1.32,-8.51,;-.01,-9.28,;-1.35,-8.51,;-1.39,-6.95,;-2.73,-6.18,;-4.06,-6.95,;-4.06,-8.49,;-5.39,-9.26,;-6.73,-8.49,;-2.73,-9.26,;-2.73,-11.16,;-1.48,-12.06,;-.15,-11.29,;1.19,-12.06,;.42,-13.4,;1.96,-13.4,;2.52,-11.29,;3.85,-12.06,;5.19,-11.29,;6.52,-12.06,;7.85,-11.29,;7.85,-9.75,;9.19,-8.98,;6.52,-8.98,;5.19,-9.75,;-1.96,-13.53,;-3.5,-13.53,;-3.97,-12.06,;-5.31,-11.29,;-6.08,-9.96,;-7.62,-9.96,;-8.39,-11.29,;-7.62,-12.63,;-6.08,-12.63,)|
BDBM269847 COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(4.05,-7.14,;2.96,-8.22,;1.47,-7.83,;1.08,-6.34,;-.41,-5.94,;-1.5,-7.03,;-1.1,-8.52,;-2.59,-8.91,;-3.68,-7.83,;.38,-8.91,;.78,-10.4,;2.25,-10.88,;3.58,-10.11,;4.92,-10.88,;4.14,-12.21,;6.25,-11.65,;5.68,-9.54,;4.92,-8.21,;7.22,-9.54,;8,-10.88,;8,-8.21,;9.54,-8.21,;10.3,-6.88,;9.54,-5.54,;10.3,-4.21,;8,-5.54,;7.22,-6.88,;2.25,-12.42,;.78,-12.89,;-.12,-11.65,;-1.99,-11.15,;-2.39,-9.66,;-3.87,-9.26,;-4.96,-10.35,;-4.56,-11.84,;-5.65,-12.93,;-3.08,-12.24,)|
BDBM269905 COc1cccc(n1)-c1nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@@H](C)[C@@H](O)C2CC2)n1-c1c(OC)cccc1OC |r,wU:24.25,wD:22.23,(-8.18,-21.1,;-6.7,-21.49,;-5.61,-20.41,;-6.01,-18.92,;-4.92,-17.83,;-3.43,-18.23,;-3.03,-19.72,;-4.12,-20.8,;-1.54,-20.11,;-1.07,-21.58,;.47,-21.58,;.95,-20.11,;2.28,-19.34,;2.28,-17.8,;3.62,-17.03,;3.62,-14.41,;2.28,-13.64,;5.23,-13.64,;3.62,-12.88,;3.62,-20.11,;2.85,-21.45,;4.39,-18.78,;4.95,-20.88,;4.95,-22.42,;6.28,-20.11,;6.28,-18.57,;7.62,-20.88,;8.39,-22.22,;9.16,-20.88,;-.3,-19.21,;-1.02,-16.85,;-2.51,-16.46,;-3.6,-17.55,;-5.08,-17.15,;-2.91,-14.97,;-1.82,-13.88,;-.33,-14.28,;.07,-15.77,;1.56,-16.16,;2.65,-15.08,)|
BDBM269951 CO[C@H](CS(=O)(=O)N(CC[Si](C)(C)C)c1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(cc1S(C)(=O)=O)C#N |r,wD:2.1,(4.74,-10.38,;3.41,-9.61,;3.41,-8.07,;2.07,-7.3,;.74,-8.07,;1.51,-9.4,;-.03,-9.4,;-.59,-7.3,;-1.36,-8.63,;-.59,-9.97,;-1.36,-11.3,;-2.7,-10.53,;-.03,-12.07,;-2.13,-12.64,;-1.93,-8.07,;-2.4,-9.54,;-3.94,-9.54,;-4.42,-8.07,;-5.91,-7.67,;-6.31,-6.18,;-7.79,-5.79,;-8.88,-6.87,;-8.48,-8.36,;-9.57,-9.45,;-9.17,-10.94,;-7,-8.76,;-3.17,-7.17,;-3.17,-5.63,;-4.51,-4.86,;-5.84,-5.63,;-7.17,-4.86,;-4.51,-3.32,;-3.17,-2.55,;-1.84,-3.32,;-1.84,-4.86,;-.51,-5.63,;.83,-4.86,;4.74,-7.3,;6.08,-8.07,;7.41,-7.3,;7.41,-5.76,;6.08,-4.99,;4.74,-5.76,;3.41,-4.99,;2.07,-5.76,;2.64,-3.66,;4.18,-3.66,;8.74,-4.99,;10.08,-4.22,)|