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994 SMILES Strings for MAP kinase-activated protein kinase 2

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM13923 CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16316 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM23450 Oc1cccc2ccccc12
BDBM21898 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27388 Clc1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM29896 Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM30309 Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
BDBM30310 Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
BDBM30311 COc1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
BDBM30312 COc1cccc(c1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
BDBM30313 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(c1)-c1ccc(CN2CCOCC2)cc1
BDBM30314 O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
BDBM30315 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(C=Cc2ccccc2)c1 |w:16.18|
BDBM30316 Fc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:5.4|
BDBM30317 Nc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:17.19|
BDBM30318 FC(F)(F)c1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:20.22|
BDBM30319 Cc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:17.19|
BDBM30320 CCCCc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:20.22|
BDBM30321 O=c1[nH]c(Cc2ccccc2)nc2[nH]c(cc12)-c1ccnc(C=Cc2ccccc2)c1 |w:23.26|
BDBM30322 O=C(N1CCOCC1)c1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:12.12|
BDBM30323 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(C=Cc2ccc(CN3CCOCC3)cc2)c1 |w:16.18|
BDBM30324 CN(C)CCOc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:10.9|
BDBM30325 CCN(CC)Cc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:10.9|
BDBM30178 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
BDBM30179 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccncc1
BDBM30180 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cccnc1
BDBM30181 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cncnc1
BDBM30182 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccsc1
BDBM30183 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc2ccccc2c1
BDBM30184 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cc2ccccc2s1
BDBM30185 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
BDBM30186 Oc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30187 Oc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30188 Oc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30189 Clc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30190 Clc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30191 Clc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30192 Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30193 Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30194 Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30195 FC(F)(F)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30196 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc(cc1)C#N
BDBM30197 CC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30198 COc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30199 Nc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30200 OC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30201 O=C(NC1CC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30202 O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30203 O=C(NC1CCCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30204 O=C(NCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30205 O=C(NCCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM30206 CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM51932 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM138348 NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
BDBM41575 COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
BDBM50059889 CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50119279 COc1ccc2sc3c(NC[C@H](C)NC3=O)c2c1
BDBM50119283 COc1ccc2sc3c(NCCNC3=O)c2c1
BDBM50119286 COc1ccc2sc3c(SCCNC3=O)c2c1
BDBM50119298 COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
BDBM50126829 CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
BDBM50126732 CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50162627 NC1=C(C#N)C(=N)CC2Oc3ccc(O)cc3CC12 |c:1|
BDBM50162640 COc1ccc2C(C3C(CC(=N)C(C#N)=C3N)Oc2c1)c1ccccc1 |c:14|
BDBM50162634 NC1=C(C#N)C(=N)CC2Oc3cc(O)c(O)cc3CC12 |c:1|
BDBM50162636 NC1=C(C#N)C(=N)CC2Oc3cc(O)cc(O)c3CC12 |c:1|
BDBM50162638 NC1=C(C#N)C(=N)CC2Oc3c(CC12)ccc(O)c3O |c:1|
BDBM50162639 NC1=C(C#N)C(=N)CC2Oc3ccccc3CC12 |c:1|
BDBM50162641 NC1=C(C#N)C(=N)CC2Oc3c(O)cccc3CC12 |c:1|
BDBM50162643 NC1=C(C#N)C(=N)CC2Oc3cc(O)ccc3C(C(C#N)C#N)C12 |c:1|
BDBM50162642 Nc1nc2c(Cc3ccccc3S2(=O)=O)c(N)c1C#N
BDBM50162644 Nc1nc2Sc3ccccc3Cc2c(N)c1C#N
BDBM50162645 NC1=C(C#N)C(=N)CC2Oc3ccc(O)cc3C(C(C#N)C#N)C12 |c:1|
BDBM50162646 NC1=C(C#N)C(=N)CC2Oc3cc4OCCOc4cc3CC12 |c:1|
BDBM50162647 OCCNC1=C(C#N)C(=N)CC2Oc3cc(O)c(O)cc3CC12 |c:4|
BDBM50162648 NC1=C(C#N)C(=N)CC2Oc3ccc(N)cc3CC12 |c:1|
BDBM50162649 CCCNC1=C(C#N)C(=N)CC2Oc3cc(O)c(O)cc3CC12 |c:4|
BDBM50162650 CN1c2ccccc2Cc2c(N)c(C#N)c(N)nc12
BDBM50162651 NC1=C(C#N)C(=N)CC2Oc3cc(O)ccc3C(C12)c1ccccc1 |c:1|
BDBM50162652 COc1ccc2OC3CC(=N)C(C#N)=C(N)C3C(C(C#N)C#N)c2c1 |t:13|
BDBM50162653 NC1=C(C#N)C(=N)CC2Oc3cc(O)ccc3CC12 |c:1|
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50162637 NC1=C(C#N)C(=N)CC2Oc3cc(C4COCCO4)c(O)cc3CC12 |c:1|
BDBM50162628 NC1=C(C#N)C(=N)CC2Oc3ccc(Br)cc3C(C(C#N)C#N)C12 |c:1|
BDBM50162629 COc1ccc2C(C(C#N)C#N)C3C(CC(=N)C(C#N)=C3N)Oc2c1 |c:19|
BDBM50162630 CCNC1=C(C#N)C(CC2Oc3cc(O)c(O)cc3CC12)=NCC |w:21.24,c:3|
BDBM50162631 CCNC1=C(C#N)C(=N)CC2Oc3cc(O)c(O)cc3CC12 |c:3|
BDBM50162632 COc1cc2CC3C(CC(=N)C(C#N)=C3N)Oc2cc1OC |c:13|
BDBM50162633 CCOc1cc2OC3CC(=N)C(C#N)=C(N)C3Cc2cc1O |t:13|
BDBM50162635 NC1=C(C#N)C(=N)CC2Oc3cc(OCN4CCCC4)ccc3CC12 |c:1|
BDBM50169959 N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
BDBM50173832 Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
BDBM50173833 N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Sc2ccccc2)cc1
BDBM50173837 N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Oc2ccccc2)cc1
BDBM50173838 N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1
BDBM50175196 COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|
BDBM50175232 CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175234 O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175237 CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175238 Cc1n[nH]c2sc(cc12)C(N)=O
BDBM50175239 O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175240 Cc1n[nH]c2sc(cc12)C(=O)NC1CCCCC1
BDBM50175241 COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1
BDBM50175242 CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1
BDBM50175243 Cc1n[nH]c2sc(cc12)C(=O)NCc1ccccc1
BDBM50175247 O=C(NCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
BDBM50175249 CCCCNC(=O)c1cc2c(C)n[nH]c2s1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50189603 Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50195876 Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
BDBM50195879 Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
BDBM50196110 CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
BDBM50204694 O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
BDBM50215521 COc1ccc2[nH]c3C(NCCc3c2c1)c1nnn[nH]1
BDBM50215522 COc1cccc2[nH]c3C(NCCc3c12)C(O)=O |w:9.17|
BDBM50215523 COc1ccc2[nH]c3C(NC(CN)Cc3c2c1)C(O)=O |w:8.19,10.10|
BDBM50215524 COc1ccc2[nH]c3C(NCC(Cc4ccccc4)c3c2c1)C(O)=O |w:8.25,11.11|
BDBM50215525 COc1cc2c3CCNC(C(O)=O)c3[nH]c2cc1O |w:9.9|
BDBM50215526 COc1ccc2[nH]c3c(CCNC3(C)C(O)=O)c2c1 |w:12.13|
BDBM50215481 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50215527 COc1ccc2[nH]c3C(N(CCc3c2c1)C(C)C)C(O)=O |w:8.20|
BDBM50215528 CCC1Cc2c([nH]c3ccc(OC)cc23)C(N1)C(O)=O |w:15.19,2.1|
BDBM50215482 COc1ccc2[nH]c3C(NC(C)Cc3c2c1)C(O)=O |w:8.18,10.10|
BDBM50215483 COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
BDBM50215484 COc1ccc2[nH]c3C(N(Cc4ccccc4)CCc3c2c1)C(O)=O |w:8.25|
BDBM50215485 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OCc1ccccc1 |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50215486 COc1ccc2[nH]c3C(CO)NCCc3c2c1 |w:8.8|
BDBM50215487 COc1ccc2n(C)c3C(NCCc3c2c1)C(O)=O |w:9.18|
BDBM50215488 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OC(C)c1ccccc1 |w:12.12,8.20,20.24,TEB:17:8:13:11.10|
BDBM50215489 OC(=O)C1NCCc2c1[nH]c1ccc(O)cc21 |w:3.2|
BDBM50215490 COc1ccc2[nH]c3C(NCCc3c2c1C)C(O)=O |w:8.18|
BDBM50215491 NC(=O)c1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:9.18|
BDBM50215492 CCOC(=O)C1N2CCC(C2)c2c1[nH]c1ccc(OC)cc21 |w:9.9,5.4,TEB:3:5:10:8.7|
BDBM50215493 COc1ccc2c3CCNC(C(O)=O)c3[nH]c2c1 |w:10.10|
BDBM50215494 COc1ccc2[nH]c3C(NC(CN(C)C)Cc3c2c1)C(O)=O |w:8.21,10.10|
BDBM50215495 COc1ccc2[nH]c3C(NC(Cc3c2c1)C(F)(F)F)C(O)=O |w:8.21,10.17|
BDBM50215496 COc1ccc2[nH]c3c(nccc3c2c1)C(O)=O
BDBM50215497 COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O |w:13.13,8.21,TEB:18:8:14:12.11.10|
BDBM50215498 COC(=O)C1NCCc2c1[nH]c1ccc(OC)cc21 |w:4.3|
BDBM50215499 COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)NO |w:8.17|
BDBM50215500 COc1ccc2[nH]c3C(NCCc3c2c1)C(N)=O |w:8.17|
BDBM50215501 OC(=O)C1NCCc2c1[nH]c1ccc(OCC(=O)c3ccccc3)cc21
BDBM50215502 COc1ccc2[nH]c3C(NCC(C)c3c2c1)C(O)=O |w:8.18,11.11|
BDBM50215503 CCC1CNC(C(O)=O)c2[nH]c3ccc(OC)cc3c12 |w:5.5,2.1|
BDBM50215504 CCCOC(=O)C1N2CCC(C2)c2c1[nH]c1ccc(OC)cc21 |w:10.10,6.5,TEB:4:6:11:9.8|
BDBM50215505 COc1ccc2[nH]c3C(CC(O)=O)NCCc3c2c1 |w:8.8|
BDBM50215506 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OCC=C |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50215507 COc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O |w:8.17|
BDBM50215508 CCN1CCc2c([nH]c3ccc(OC)cc23)C1C(O)=O |w:16.19|
BDBM50215509 COc1ccc2[nH]c3C(OCCc3c2c1)C(O)=O |w:8.17|
BDBM50215510 COc1ccc2[nH]c3C(NC(CO)Cc3c2c1)C(O)=O |w:8.19,10.10|
BDBM50215511 OC(=O)C1NCCc2c1[nH]c1ccc(Cl)cc21 |w:3.2|
BDBM50215512 OC(=O)C1NCCc2c1[nH]c1ccc(F)cc21 |w:3.2|
BDBM50215513 OC(=O)C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 |w:3.2|
BDBM50215514 COc1ccc2[nH]c3C(CN)NCCc3c2c1 |w:8.8|
BDBM50215515 CC(=O)Oc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:10.19|
BDBM50215516 OC(=O)C1NCCc2c1[nH]c1ccccc21 |w:3.2|
BDBM50215517 COc1ccc2[nH]c3C(N(C)CCc3c2c1)C(O)=O |w:8.18|
BDBM50215518 COC(=O)c1nccc2c3cc(OC)ccc3[nH]c12
BDBM50215519 COc1cccc2c3CCNC(C(O)=O)c3[nH]c12 |w:11.11|
BDBM50215520 COC(=O)c1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:10.19|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50225787 Nc1nc2Oc3cc(O)c(O)cc3Cc2c(N)c1C#N
BDBM50235544 NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
BDBM50240538 Oc1cccc2cnccc12
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50258906 C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(c3)C(N)=O)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50258907 C[C@@H](Nc1c(Nc2ccnc(Nc3ccncn3)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50258908 C[C@@H](Nc1c(Nc2ccnc(Nc3cnccn3)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50258909 C[C@@H](Nc1c(Nc2ccnc(Nc3ncccn3)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50258910 C[C@@H](Nc1c(Nc2ccnc(NC(C)=O)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50258950 C[C@@H](Nc1c(Nc2ccnc(NC(=O)c3cccnc3)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259567 C[C@@H](Nc1c(Nc2cccnc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259568 C[C@@H](Nc1c(Nc2ccncn2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259598 C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259599 C[C@@H](Nc1c(Nc2ccnc(Cl)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259600 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259601 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
BDBM50259602 C[C@@H](Nc1c(Nc2ccnc(c2)-c2cccc(F)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259635 COc1cccc(c1)-c1cc(Nc2c(N[C@H](C)c3ccccc3)c(=O)c2=O)ccn1 |r|
BDBM50259636 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259637 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259638 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259639 C[C@@H](Nc1c(Nc2ccnc(Nc3ccccc3)c2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259376 C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259377 C[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259378 O=c1c(NCc2ccccc2)c(Nc2ccncc2)c1=O
BDBM50259379 CC(C)(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
BDBM50259380 C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1 |r|
BDBM50258822 CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
BDBM50259478 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1nccs1
BDBM50259479 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1F
BDBM50259480 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1O
BDBM50259481 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(C)c1
BDBM50259482 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(N)c1
BDBM50259483 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
BDBM50259528 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(NC(C)=O)c1
BDBM50259529 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(NS(C)(=O)=O)c1
BDBM50259530 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccc(F)cc1
BDBM50259531 CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccc(O)cc1
BDBM50259532 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
BDBM50259563 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
BDBM50259564 OCC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
BDBM50259565 C[C@@H](N(C)c1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259566 C[C@@H](Nc1c(N(C)c2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50241926 CCCc1cc(O)c2c(O)cccc2c1-c1cc(O)cc(=O)o1
BDBM50241927 CCCc1cc(=O)c2c(Cc3cc(O)cc(=O)o3)cccc2o1
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50242186 CC1=CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1Cc1cc(ccc1O)C(O)=O |r,t:1|
BDBM50242189 C\C(CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C)=C/Cc1cc(ccc1O)C(O)=O |r,c:4|
BDBM50263132 Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
BDBM50255367 COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
BDBM50253633 O=C1NCCc2[nH]c(cc12)-c1ccnc(\C=C\c2ccccc2)c1
BDBM50269815 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC(=C)[C@H]1\C=C\C1=CC(=O)OC1O |r,t:24|
BDBM50269820 C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)OC1O |r,t:26|
BDBM50269821 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H](CC3OC(=O)C=C3CO)C(=C)CC[C@H]21 |r,c:20|
BDBM50269822 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H](CC(O)C3=CC(=O)OC3O)C(=C)CC[C@H]21 |r,t:18|
BDBM50267255 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
BDBM50278836 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12 |r|
BDBM50277910 O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
BDBM50274385 CCN1CCN(CC\C=C\c2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(cnc3c2)C#N)CC1
BDBM50295809 O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
BDBM50295810 CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
BDBM50295811 COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
BDBM50297142 C[C@@H]1CNc2c(sc3ccc(O)cc23)C(=O)N1 |r|
BDBM50297143 COc1cccc(COc2ccc3sc4c(NC[C@@H](C)NC4=O)c3c2)c1 |r|
BDBM50297144 C[C@@H]1CNc2c(sc3ccc(OCC4CC4)cc23)C(=O)N1 |r|
BDBM50297113 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cccnc2)C(=O)N1 |r|
BDBM50297114 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r|
BDBM50297115 COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
BDBM50297116 COc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
BDBM50297117 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2F)C(=O)N1 |r|
BDBM50297118 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2C)C(=O)N1 |r|
BDBM50297119 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cnccc2C)C(=O)N1 |r|
BDBM50297123 C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r|
BDBM50297124 C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r|
BDBM50297125 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2)C(=O)N1 |r|
BDBM50297126 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccncc2)C(=O)N1 |r|
BDBM50297136 CCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
BDBM50297137 CCCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
BDBM50297138 COc1ccc2sc3c(NC[C@@H](CNCc4ccccc4)NC3=O)c2c1 |r|
BDBM50297139 COc1ccc2sc3c(NC[C@@H](CN4CCCC4)NC3=O)c2c1 |r|
BDBM50297140 COc1ccc2sc3c(NC[C@@H](CN4CCOCC4)NC3=O)c2c1 |r|
BDBM50297141 COc1ccc2sc3c(NC[C@@H](CN(C)Cc4ccccc4)NC3=O)c2c1 |r|
BDBM50297145 COCCOc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50297146 CC(C)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50297147 COC(=O)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50305003 Nc1ncc2[nH]cc(-c3cc(-c4cc5ccccc5s4)c4n[nH]cc4c3)c2n1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305007 NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305008 NCCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305009 Nc1ncc2n(CCC3CCNCC3)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
BDBM50305010 Nc1ncc2n(CCCO)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
BDBM50305011 COCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305012 Nc1ncc2n(CC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
BDBM50305013 Nc1ncc2n(CCC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
BDBM50305014 NC(=O)CCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305015 Nc1ncc2n(cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1)C1C=CC=C1 |c:35,37|
BDBM50305016 CC(C)n1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50304991 Nc1nccc(Nc2ccc3[nH]ncc3c2)n1
BDBM50304992 Nc1nccc(Nc2ccc3[nH]nc(I)c3c2)n1
BDBM50304993 Nc1nccc(Nc2cc(-c3ccsc3)c3[nH]ncc3c2)n1
BDBM50304994 Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1
BDBM50304995 Nc1nccc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1
BDBM50304996 Nc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1
BDBM50304998 Nc1nccc(Nc2ccc3[nH]nc(-c4ccsc4)c3c2)n1
BDBM50304999 Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1
BDBM50305000 Nc1nccc(Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)n1
BDBM50305001 Nc1nccc(Nc2ccc3[nH]nc(-c4ccc[nH]4)c3c2)n1
BDBM50302042 CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
BDBM50302507 CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
BDBM50297120 C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 |r|
BDBM50297121 C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 |r|
BDBM50297122 C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
BDBM50297148 CCC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
BDBM50297149 COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1 |r|
BDBM50297150 COc1ccc2sc3c(CCCNC3=O)c2c1
BDBM50297151 COc1ccc2sc3c(NC[C@@H](CN)NC3=O)c2c1 |r|
BDBM50310785 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][C@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O |r,TLB:48:47:34.45.32:18.11.12|
BDBM50310786 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][C@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O |r,TLB:48:47:34.45.32:18.11.12|
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
BDBM50310341 CS(=O)(=O)Nc1cccc(c1)-c1cccc(c1)-n1cc(c(N)n1)-c1ccc2C(=O)NCCc2c1
BDBM50310342 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2nc[nH]c2c1
BDBM50310343 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2cc[nH]c2c1
BDBM50310344 Cn1ccc2ccc(cc12)-c1cccc(c1)-n1cc(c(N)n1)-c1ccc2C(=O)NCCc2c1
BDBM50310345 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2CC(=O)Nc2c1
BDBM50310346 COc1ccc(cc1)-n1cc(cn1)-c1ccc(cc1)C(N)=O
BDBM50310347 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc(cc1)C(N)=O
BDBM50310348 COc1ccc(cc1)-n1ncc(c1N)-c1ccc(cc1)C(N)=O
BDBM50310349 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc(cc1)C#N
BDBM50310350 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc(cc1)S(N)(=O)=O
BDBM50310351 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc2C(=O)NCc2c1
BDBM50310352 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc2CCNC(=O)c2c1
BDBM50310353 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc2CCCNC(=O)c2c1
BDBM50310354 COc1ccc(cc1)-n1cc(c(N)n1)-c1ccc2OCCNC(=O)c2c1
BDBM50310355 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1cccc(O)c1
BDBM50310356 COc1cccc(c1)-c1cccc(c1)-n1cc(c(N)n1)-c1ccc2C(=O)NCCc2c1
BDBM50311953 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50311954 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50312057 CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307506 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
BDBM50307507 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
BDBM50307535 CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50304997 Nc1nccc(Nc2cc(I)c3[nH]ncc3c2)n1
BDBM50305002 Nc1ncc2[nH]cc(-c3ccc4n[nH]cc4c3)c2n1
BDBM50305004 Nc1ncc2ccn(-c3ccc4[nH]ncc4c3)c2n1
BDBM50305005 Cn1cc(-c2ccc3[nH]ncc3c2)c2nc(N)ncc12
BDBM50307987 CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50301686 CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50316252 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50316253 CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50315069 CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
BDBM50314776 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
BDBM50314780 Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
BDBM50314784 Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(2.55,2.36,;2.53,.82,;3.86,.04,;5.31,.52,;6.22,-.75,;5.31,-1.98,;3.85,-1.5,;2.51,-2.26,;1.18,-1.48,;-.16,-2.23,;-1.49,-1.45,;-2.83,-2.21,;-2.84,-3.75,;-1.51,-4.53,;-.17,-3.77,;1.16,-4.56,;-4.15,-1.43,;-4.14,.11,;-5.49,-2.19,;-6.82,-1.41,;-8.36,-1.4,;-7.58,-.07,;1.19,.06,;-.13,.85,;6.09,1.85,;7.58,1.92,;8.35,.56,;8.36,3.24,;7.53,4.54,;5.99,4.56,;5.32,3.21,;3.73,3.4,)|
BDBM50314344 Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
BDBM50327912 O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
BDBM50317750 Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50323614 N(c1ccccc1)c1ccnc2ccc(cc12)-c1ccccc1
BDBM50323615 OCCc1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
BDBM50323616 CCc1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
BDBM50323617 C1CN(CCO1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
BDBM50323618 OC(=O)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
BDBM50323619 Oc1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
BDBM50323620 Clc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)N3CCOCC3)c2c1
BDBM50323621 OCCc1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
BDBM50323622 Clc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)C#N)c2c1
BDBM50323623 CN1CCN(CC1)C(=O)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
BDBM50323624 Cc1ccc(cc1)-c1ccc2nccc(Nc3cc(Cl)ccc3O)c2c1
BDBM50323625 Cc1ccc(cc1)-c1ccc2nccc(Nc3ccc(O)cc3)c2c1
BDBM50323626 Cc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)C#N)c2c1
BDBM50323627 Cc1ccc(cc1)-c1ccc2nccc(Nc3cccc(C)c3C)c2c1
BDBM50323628 Oc1ccc(Cl)cc1Nc1ccnc2ccc(cc12)-c1ccccc1
BDBM50323629 Fc1cc(Cl)ccc1Nc1ccnc2ccc(cc12)-c1ccc(Cl)cc1
BDBM50323630 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
BDBM50323631 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccsc2)cc1
BDBM50323632 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(Br)cc23)cc1
BDBM50323633 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccs2)cc1
BDBM50323634 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Br)cc2)cc1
BDBM50323635 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
BDBM50323636 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(F)cc2)cc1
BDBM50323637 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(cc2)C(O)=O)cc1
BDBM50323638 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(c2)[N+]([O-])=O)cc1
BDBM50323639 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(N)c2)cc1
BDBM50323640 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(c2)C(F)(F)F)cc1
BDBM50323641 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(Cl)c2)cc1
BDBM50323642 COc1cccc(c1)-c1ccc2nccc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
BDBM50323643 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(C=O)cc2)cc1
BDBM50323644 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50323645 CSc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
BDBM50323646 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(C)cc2)cc1
BDBM50323647 CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(C)c2)cc1
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50330261 CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
BDBM50330262 CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50331629 Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50344696 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
BDBM50344697 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
BDBM50344698 CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
BDBM50344699 CCN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
BDBM50344700 O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
BDBM50344701 COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50344702 COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50344703 O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 |r|
BDBM50344704 O=C1NC[C@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 |r|
BDBM50344705 COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O |r|
BDBM50344706 COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O |r|
BDBM50344707 COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O |r|
BDBM50344708 COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O |r|
BDBM50344709 O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
BDBM50344710 O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1 |r|
BDBM50344711 O=C1NC[C@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1 |r|
BDBM50344712 O=C1NCC2(CCOCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
BDBM50344713 CC(=O)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344714 CC(=O)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344715 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCCCOc2c1
BDBM50344716 CC(C)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344717 Fc1ccccc1-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344718 Fc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344719 FC(F)(F)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344720 FC(F)(F)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344721 CC(C)(C)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344722 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2ccccc2c1
BDBM50344723 Clc1cc(Cl)cc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344724 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1
BDBM50344725 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
BDBM50344726 COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344727 Nc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344728 CCC(=O)Nc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344729 Nc1ncc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50344730 O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc(NC2CCCC2)nc1
BDBM50344731 O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
BDBM50344749 NCCn1nc(cc1C(O)=O)-c1ccnc(c1)-c1cnc2ccccc2c1
BDBM50344750 O=C1NCC2(CCCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1
BDBM50344751 NCC1CNC(=O)c2cc(nn12)-c1ccnc(c1)-c1cnc2ccccc2c1
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
BDBM50329427 NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
BDBM50336316 Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
BDBM50345840 CC(C)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345841 CC(C)(C)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345843 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(cc1)[N+]([O-])=O
BDBM50345844 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(cc1)C#N
BDBM50345845 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(cc1)-n1cnnn1
BDBM50345846 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(OCc2ccccc2)cc1
BDBM50345847 CC(=O)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345848 CCOC(=O)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345849 CN(C)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345850 CC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345852 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50345855 COc1ccccc1NC(=S)NCc1nc(Cl)cnc1N
BDBM50345857 CSc1ccccc1NC(=S)NCc1nc(Cl)cnc1N
BDBM50345858 Nc1ncc(Cl)nc1CNC(=S)Nc1ccccc1-c1ccccc1
BDBM50345861 COc1cccc(NC(=S)NCc2nc(Cl)cnc2N)c1
BDBM50345862 COc1ccc(NC(=S)NCc2nc(Cl)cnc2N)c(OC)c1
BDBM50345863 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Cl)cc1Cl
BDBM50345864 COc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1OC
BDBM50345865 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Cl)c(Cl)c1
BDBM50345866 Nc1ncc(Cl)nc1CNC(=S)Nc1cc(Cl)cc(Cl)c1
BDBM50345867 COC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345822 Nc1ncc(Cl)nc1CNC(=S)NCCc1ccccc1
BDBM50345868 CCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345869 CCCCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345870 CC(C)COC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345871 CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345872 CC(C)COC(=O)N(c1ccccc1)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345873 CNC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345874 CC(C)(C)NC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345875 Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1
BDBM50345876 Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)Oc3ccccc3)cc2)n1
BDBM50345877 CCOC(=O)N(C)c1ccc(NC(=S)NCc2nc(C)cnc2N)cc1
BDBM50345878 Cc1cnc(N)c(CNC(=S)Nc2ccc(OC(=O)OC(C)(C)C)cc2)n1
BDBM50345879 CCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1
BDBM50345880 CCCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1
BDBM50345881 CCCCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1
BDBM50345882 Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1
BDBM50345883 Cc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)n1
BDBM50345884 Cc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1
BDBM50345885 Cc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
BDBM50345886 Cc1cnc(N)c(CNC(=S)Nc2ccc3NC(=O)Cc3c2)n1
BDBM50345887 Cc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)sc3c2)n1
BDBM50345888 Cc1cnc(N)c(CNC(=S)Nc2ccc3oc(=O)[nH]c3c2)n1
BDBM50345889 Cc1cnc(N)c(CNC(=S)Nc2ccc3n(C)c(=O)[nH]c3c2)n1
BDBM50345890 CCc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1
BDBM50345891 CCCc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1
BDBM50345892 CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(cnc2N)C2CC2)cc1
BDBM50345893 CCCc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1
BDBM50345894 CCCCc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1
BDBM50345895 Nc1ncc(nc1CNC(=S)Nc1ccc2[nH]c(=O)oc2c1)C1CC1
BDBM50345896 CC(C)(C)NC(=O)Nc1ccc(NC(=S)NCc2nc(cnc2N)C2CC2)cc1
BDBM50345823 COCCNC(=S)NCc1nc(Cl)cnc1N
BDBM50345824 CCN(CC)CCCNC(=S)NCc1nc(Cl)cnc1N
BDBM50345825 Nc1ncc(Cl)nc1CNC(=S)NC(=O)c1ccccc1
BDBM50345826 Nc1ncc(Cl)nc1CNC(=S)Nc1cccc2ccccc12
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50345827 Nc1nccnc1CNC(=S)Nc1ccccc1
BDBM50345828 Cc1cnc(N)c(CNC(=S)Nc2ccccc2)n1
BDBM50345829 CCc1cnc(N)c(CNC(=S)Nc2ccccc2)n1
BDBM50345830 CCCc1cnc(N)c(CNC(=S)Nc2ccccc2)n1
BDBM50345831 Nc1ncc(nc1CNC(=S)Nc1ccccc1)C(F)(F)F
BDBM50345832 Nc1ncc(nc1CNC(=S)Nc1ccccc1)C1CC1
BDBM50345833 Nc1ncc(nc1CNC(=S)Nc1ccccc1)-c1ccccc1
BDBM50345834 CN(C)c1nc(N)c(CNC(=S)Nc2ccccc2)nc1Cl
BDBM50345835 CCOc1nc(N)c(CNC(=S)Nc2ccccc2)nc1Cl
BDBM50345836 CSc1nc(N)c(CNC(=S)Nc2ccccc2)nc1Cl
BDBM50345839 COc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50345814 Nc1ncc(Cl)nc1CNC(=S)Nc1ccccc1
BDBM50345815 CCNC(=S)NCc1nc(Cl)cnc1N
BDBM50345816 CC(C)NC(=S)NCc1nc(Cl)cnc1N
BDBM50345817 CC(C)(C)NC(=S)NCc1nc(Cl)cnc1N
BDBM50345818 Nc1ncc(Cl)nc1CNC(=S)NC1CC1
BDBM50345819 Nc1ncc(Cl)nc1CNC(=S)NC1CCCC1
BDBM50345820 Nc1ncc(Cl)nc1CNC(=S)NC1CCCCCC1
BDBM50345821 Nc1ncc(Cl)nc1CNC(=S)NCc1ccccc1
BDBM50345837 Cc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50345838 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Cl)cc1
BDBM50345842 Nc1ncc(Cl)nc1CNC(=S)Nc1ccc(Br)cc1
BDBM50345851 Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1
BDBM50348479 COCCOc1cncc(c1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
BDBM50348480 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3n(C)c21)-c1ccccc1F
BDBM50348481 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccc(F)nc1
BDBM50348482 COc1ccc(cc1)-c1ncc2CCc3c([nH]c4CC5(CC5)NC(=O)c34)-c2n1
BDBM50348483 Fc1ccccc1-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
BDBM50348484 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccc(OCCN2CCOCC2)cc1
BDBM50348485 COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1
BDBM50348486 COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CNC5)NC(=O)c4c3CCc2cn1
BDBM50348487 O=C1NC2(CC2)Cc2[nH]c-3c(CCc4cnc(nc-34)-c3ccc(OCCN4CCOCC4)cc3)c12
BDBM50348488 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3oc21)-c1cccc(F)c1
BDBM50348489 COCCOc1cncc(c1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCCc2cn1
BDBM50348490 COc1ccc(cc1)-c1ncc2CCc3c([nH]c4CCNC(=O)c34)-c2n1
BDBM50348491 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1cccc(F)c1
BDBM50348492 CN1CCC2(CC1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348493 COCCOc1cncc(c1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1
BDBM50348494 Fc1cccc(c1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
BDBM50348495 COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
BDBM50348496 Fc1ccccc1-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CNC1
BDBM50348497 Cn1c-2c(CCc3cnc(cc-23)-c2ccccc2F)c2c1C1(CNC1)CNC2=O
BDBM50348498 Fc1ccc(cn1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
BDBM50348499 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccccc1F
BDBM50348500 COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CN(C)C5)NC(=O)c4c3CCc2cn1
BDBM50348501 Fc1ccc(cn1)-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
BDBM50348502 COc1ccc(cc1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
BDBM50348503 O=C1NC2(CC2)Cc2[nH]c-3c(CCc4cnc(cc-34)-c3ccc(OCCN4CCOCC4)cc3)c12
BDBM50348504 Fc1cccc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
BDBM50348505 Fc1ccc(cn1)-c1ncc2CCc3c([nH]c4CC5(CC5)NC(=O)c34)-c2n1
BDBM50348506 COc1ccc(cc1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CC1
BDBM50345853 Cc1ccccc1NC(=S)NCc1nc(Cl)cnc1N
BDBM50345854 Nc1ncc(Cl)nc1CNC(=S)Nc1ccccc1Cl
BDBM50345856 Nc1ncc(Cl)nc1CNC(=S)Nc1ccccc1F
BDBM50345859 Cc1cccc(NC(=S)NCc2nc(Cl)cnc2N)c1
BDBM50345860 Nc1ncc(Cl)nc1CNC(=S)Nc1cccc(Cl)c1
BDBM50348880 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
BDBM50348507 Fc1ccccc1-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
BDBM50348508 COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CC3)-c2n1
BDBM50348509 COc1ccc(cc1)-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
BDBM50348510 Fc1cccc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CNC1
BDBM50348511 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1cccc(F)c1
BDBM50348512 Fc1cccc(c1)-c1cc2-c3oc4c(c3CCc2cn1)C(=O)NCC41CNC1
BDBM50348513 CN1CC2(C1)CNC(=O)c1c3Cc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348514 Fc1cccc(c1)-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
BDBM50348515 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348516 COc1ccc(cc1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CN(C)C1
BDBM50348517 Fc1ccccc1-c1ncc2CCc3c([nH]c4CC5(CC5)NC(=O)c34)-c2n1
BDBM50348518 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccc(F)nc1
BDBM50348519 CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccc(OCCN2CCOCC2)cc1
BDBM50348520 COCCCOc1cncc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CN(C)C1
BDBM50348521 FCCN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348522 CC(=O)N1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348523 CCN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
BDBM50348524 O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348525 COc1ccc(cc1F)-c1cc2c3[nH]c4CCC(=O)c4c3ccc2cn1
BDBM50348526 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348527 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348528 O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348529 COCCOc1cncc(c1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
BDBM50348530 NCc1[nH]c2c(ccc3cnc(\C=C\c4ccccc4)cc23)c1C(O)=O
BDBM50348531 CNCc1[nH]c2c(ccc3cnc(\C=C\c4ccccc4)cc23)c1C(O)=O
BDBM50348532 OC1=NOCc2[nH]c3c(ccc4cnc(C=Cc5ccccc5)cc34)c12 |w:15.14,t:1|
BDBM50348533 COc1ccc(cc1)-c1cc2c3[nH]c4CN(C)NC(=O)c4c3ccc2cn1
BDBM50348534 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
BDBM50348535 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348536 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348537 Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
BDBM50348538 COc1ccc(cc1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348539 Fc1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348540 FC(F)(F)c1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348541 O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
BDBM50348542 O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348543 COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348544 CN1Cc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c2C1=O
BDBM50348545 O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348546 O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348547 COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
BDBM50348548 O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
BDBM50348549 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
BDBM50348550 COc1ccc(cc1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
BDBM50348551 O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3ccccc3OCCN3CCOCC3)c12
BDBM50360547 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccc2ccccc2c1
BDBM50360548 Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360549 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccccn1
BDBM50360550 FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
BDBM50360551 Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
BDBM50360552 Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
BDBM50360553 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccc2ccccc2c1
BDBM50360554 Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
BDBM50360555 FC(F)(F)c1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360556 Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360557 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccccn1
BDBM50360558 FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360559 FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360560 Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360561 Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360562 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1cccc2ccccc12
BDBM50360563 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1
BDBM50360564 Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
BDBM50360565 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1
BDBM50360566 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1
BDBM50360567 FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50360568 CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(OC(F)(F)F)c2)c1
BDBM50360569 FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360570 CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(F)c2)c1
BDBM50360571 Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360572 CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc3ccccc3c2)c1
BDBM50360573 CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc(C)c(C)c2)c1
BDBM50360574 Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360575 O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1cccc2ccccc12
BDBM50360576 Cc1ccc(cc1C)C(=O)Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360577 Fc1ccc(cc1)C(=O)Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
BDBM50360578 O=C(Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1cccc2ccccc12
BDBM50360579 O=C(Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccc2ccccc2c1
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50360605 Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
BDBM50360609 C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
BDBM50360610 C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
BDBM50360611 Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50349877 CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
BDBM50362169 Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50362170 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)N1CCNCC1
BDBM50362171 O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50362172 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
BDBM50362173 N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
BDBM50362174 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
BDBM50362175 N#Cc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
BDBM50362176 Fc1ccc(cc1)-c1cc2Cc3cc(ccc3-n3cnnc3-c2o1)N1CCNCC1
BDBM50362177 Cc1cnc2-c3oc(cc3Cc3cc(ccc3-n12)N1CCNCC1)-c1ccc(Cl)cc1
BDBM50362178 Cc1nnc2-c3oc(cc3Cc3cc(ccc3-n12)N1CCNCC1)-c1ccc(Cl)cc1
BDBM50362179 Clc1ccc(cc1)-c1cc2COc3cc(ccc3-n3ccnc3-c2o1)N1CCNCC1
BDBM50362180 Clc1ccc(cc1)-c1cc2COc3cc(ccc3NC(=O)c2o1)N1CCNCC1
BDBM50361088 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
BDBM50361089 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
BDBM50362106 Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1
BDBM50362107 O=C(N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362108 Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)C1CCC(CC1)N1CCNCC1 |(-.6,-7.34,;.94,-7.33,;1.7,-5.99,;3.24,-5.99,;4.01,-7.32,;3.25,-8.65,;1.72,-8.66,;5.55,-7.31,;6.47,-8.56,;7.93,-8.07,;7.93,-6.52,;6.46,-6.05,;9.26,-5.75,;9.25,-4.21,;10.59,-6.51,;10.6,-8.05,;11.94,-8.82,;11.93,-10.36,;13.27,-11.12,;14.6,-10.35,;14.59,-8.8,;13.25,-8.04,;11.92,-5.74,;13.26,-6.51,;14.59,-5.73,;14.58,-4.19,;13.24,-3.43,;11.91,-4.21,;15.91,-3.43,;17.25,-4.19,;18.57,-3.42,;18.57,-1.88,;17.24,-1.11,;15.9,-1.89,)|
BDBM50362109 CN1CCN(CCCN(Cc2ccccn2)C(=O)c2ccc(o2)-c2ccc(cc2)C#N)CC1
BDBM50362110 O=C(N(Cc1ccccn1)C1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362111 Cc1cccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)n1
BDBM50362112 O=C(N(Cc1ccc(cc1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362113 O=C(N(Cc1cccc(c1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362114 O=C(N(Cc1ccccc1-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362115 Fc1ccccc1-c1ccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)cc1
BDBM50362116 Fc1ccccc1-c1cccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)c1
BDBM50362117 Fc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362118 O=C(N(Cc1ccc(cc1)-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362119 O=C(N(Cc1cccc(c1)-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362120 O=C(N(Cc1ccccc1-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362121 Cc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362122 Cc1cccc(C)c1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 |(8.65,-9.87,;7.31,-9.11,;5.99,-9.9,;4.65,-9.14,;4.63,-7.6,;5.95,-6.82,;5.94,-5.28,;7.29,-7.58,;8.62,-6.79,;9.96,-7.55,;11.29,-6.76,;11.27,-5.22,;9.93,-4.47,;8.61,-5.25,;7.27,-4.5,;7.25,-2.96,;5.91,-2.2,;5.9,-.66,;4.59,-2.98,;4.11,-4.46,;2.56,-4.46,;2.08,-2.99,;3.34,-2.08,;.73,-2.26,;.68,-.72,;-.67,.01,;-1.99,-.8,;-1.93,-2.35,;-.58,-3.07,;-3.34,-.08,;-4.7,.65,;8.58,-2.17,;9.92,-2.93,;11.24,-2.15,;11.23,-.61,;9.88,.15,;8.56,-.64,;12.55,.17,;13.9,-.59,;15.22,.19,;15.21,1.73,;13.86,2.49,;12.53,1.71,)|
BDBM50362123 Cc1noc(C)c1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 |(5.23,-8.04,;5.69,-9.51,;4.77,-10.74,;5.66,-12,;7.14,-11.54,;8.37,-12.46,;7.15,-9.99,;8.41,-9.1,;9.75,-9.86,;11.08,-9.07,;11.05,-7.52,;9.71,-6.78,;8.4,-7.56,;7.06,-6.8,;7.04,-5.26,;5.7,-4.51,;5.69,-2.97,;4.38,-5.29,;3.9,-6.76,;2.35,-6.76,;1.87,-5.29,;3.13,-4.39,;.52,-4.57,;.47,-3.03,;-.88,-2.3,;-2.2,-3.11,;-2.14,-4.66,;-.79,-5.38,;-3.55,-2.39,;-4.91,-1.66,;8.37,-4.48,;9.71,-5.24,;11.03,-4.46,;11.02,-2.92,;9.66,-2.16,;8.35,-2.95,;12.34,-2.14,;13.68,-2.9,;15,-2.12,;14.99,-.58,;13.65,.18,;12.32,-.6,)|
BDBM50362124 O=C(N(Cc1ccccc1-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362125 O=C(N(Cc1ccccc1-c1cccc(c1)C#N)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362126 COc1cccc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362127 O=C(N(Cc1ccccc1-c1cccnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362128 O=C(N(Cc1ccccc1-c1ccccn1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362129 O=C(N(Cc1ccccc1-c1cncnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362130 COc1cncc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362131 COc1ccncc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362132 COc1ccc(cn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362133 COc1cc(ccn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362134 COc1ncc(cn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362135 COc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362136 COc1ccccc1-c1ncccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362137 COc1ccncc1-c1ncccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
BDBM50362138 O=C(N(Cc1cccnc1-c1cncnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
BDBM50362139 O=C(N(Cc1ccccc1-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(nc1)C#N
BDBM50362140 O=C(N(Cc1ccccc1-c1cccnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(nc1)C#N
BDBM50374678 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0|
BDBM50374679 O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
BDBM50374680 CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50374681 CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
BDBM50374682 CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1
BDBM50374683 CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
BDBM50374684 CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1
BDBM50374685 CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1
BDBM50374686 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 |w:1.0|
BDBM50374687 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(CC(C)(C)C)CC1 |w:1.0|
BDBM50374688 CC(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:30.31|
BDBM50374689 CCN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:28.29|
BDBM50374690 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NCC(C)(C)C |w:1.0|
BDBM50374691 CC1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:27.28,(10.96,-17.91,;12.5,-17.94,;13.29,-16.62,;14.82,-16.64,;15.57,-17.98,;14.79,-19.31,;13.25,-19.28,;17.12,-18,;18.02,-16.76,;17.4,-15.35,;19.56,-16.92,;20.32,-18.25,;21.83,-17.93,;21.99,-16.41,;23.32,-15.64,;24.66,-16.41,;24.65,-17.95,;25.99,-15.64,;25.99,-14.1,;27.32,-13.33,;28.65,-14.09,;30.12,-13.62,;31.03,-14.86,;32.56,-15.02,;33.47,-13.78,;33.18,-16.44,;32.26,-17.69,;30.73,-17.52,;29.82,-18.75,;30.11,-16.11,;28.65,-15.64,;27.32,-16.41,;20.59,-15.78,)|
BDBM50374692 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCOCC1 |w:1.0|
BDBM50374693 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0|
BDBM50374694 CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0|
BDBM50374695 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0|
BDBM50375665 CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N
BDBM50366480 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
BDBM50378657 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
BDBM50378568 CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
BDBM50380288 Clc1ccccc1-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380289 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380290 Clc1ccc(-c2ccc(o2)C(=O)Nc2ccc(cc2)N2CCNCC2)c(Cl)c1
BDBM50380291 Cc1cc(Cl)ccc1-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380292 FC(F)(F)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380293 COc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380294 Clc1ccc(s1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380295 Fc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)ccc1N1CCNCC1
BDBM50380296 FC(F)(F)c1cc(ccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)N1CCNCC1
BDBM50380298 Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)C1=CCNCC1 |t:24|
BDBM50380299 Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1=O
BDBM50380300 Clc1ccc(cc1)-c1ccc(s1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380301 Clc1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380302 Clc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380303 Clc1ccc(cc1)-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50380304 CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380305 CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380306 CCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380307 CC(C)N(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380308 CCCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380309 Cn1ccnc1CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
BDBM50380310 Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccncc1)c1ccc(cc1)N1CCNCC1
BDBM50380311 OC1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
BDBM50384540 FC1(F)CCN(CC1)c1ccc(cc1)N1C(ON=C1c1ccc(o1)-c1ccc(Cl)cc1)c1ccncc1 |c:19|
BDBM50384541 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1Cc1ccc(cc1)N1CCNCC1)c1ccncc1 |t:14|
BDBM50384542 N#Cc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15|
BDBM50384543 Clc1cccc(c1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:14|
BDBM50384544 Fc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:14|
BDBM50384545 Clc1ccc(cc1Cl)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15|
BDBM50384546 Fc1cc(ccc1Cl)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15|
BDBM50384547 C1CN(CCN1)c1ccc(cc1)N1C(ON=C1c1ccc(o1)-c1ccncc1)c1ccccc1-c1cncnc1 |c:17|
BDBM50384548 COc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15|
BDBM50384549 CNC(=O)c1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:17|
BDBM50384550 N#Cc1cccc(c1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:15|
BDBM50384551 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)C1CCNCC1)c1ccncc1 |t:14|
BDBM50384552 Clc1ccc(cc1)-c1ccc(o1)-c1nocc1-c1ccc(cc1)N1CCNCC1
BDBM50384553 Clc1ccc(cc1)-c1ccc(o1)-c1cc(on1)-c1ccc(cc1)N1CCNCC1
BDBM50384554 Clc1ccc(cc1)-c1ccc(o1)-c1noc(=O)n1-c1ccc(cc1)N1CCNCC1
BDBM50384555 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1 |t:14|
BDBM50384556 Clc1ccc(cc1)-c1ccc(o1)C1ON=C(N1c1ccc(cc1)N1CCNCC1)c1ccccc1 |c:16|
BDBM50384557 N#Cc1ccc(cc1)-c1ccc(o1)C1=NOCCN1c1ccc(cc1)N1CCNCC1 |t:15|
BDBM50384558 Clc1ccc(cc1)-c1ccc(o1)C1=NOCCCN1c1ccc(cc1)N1CCNCC1 |t:14|
BDBM50384559 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccn1 |t:14|
BDBM50384560 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1cccnc1 |t:14|
BDBM50384561 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccncc1 |t:14|
BDBM50384562 Fc1ccc(nc1)C1ON=C(N1c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(Cl)cc1 |c:10|
BDBM50384563 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1cncnc1 |t:14|
BDBM50384564 Fc1ccc(cc1)C1ON=C(N1c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(Cl)cc1 |c:10|
BDBM50384565 Fc1ccc(C2ON=C(N2c2ccc(cc2)N2CCNCC2)c2ccc(o2)-c2ccc(Cl)cc2)c(F)c1 |c:7|
BDBM50384566 Fc1cc(F)cc(c1)C1ON=C(N1c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(Cl)cc1 |c:11|
BDBM50384567 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1cnc[nH]1 |t:14|
BDBM50384568 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1cnc(nc1)-c1ccccc1 |t:14|
BDBM50384569 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccc(cc1)-c1ncccn1 |t:14|
BDBM50384570 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccc(cc1)-c1cncnc1 |t:14|
BDBM50384571 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1cccc(c1)-c1cncnc1 |t:14|
BDBM50384572 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cncnc1 |t:14|
BDBM50384573 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1cccnc1 |t:14|
BDBM50384574 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccccc1-c1ccccc1 |t:14|
BDBM50384575 Clc1ccc(cc1)-c1ccc(o1)C1=NOC(N1c1ccc(cc1)N1CCNCC1)c1ccncn1 |t:14|
BDBM50395262 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|
BDBM50395263 CCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)nc3ccnn23)cc1 |r|
BDBM50395264 CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:5.4,wD:8.8,(75.96,-83,;75.95,-84.54,;74.62,-85.31,;74.62,-86.85,;75.95,-87.62,;77.28,-86.85,;77.28,-85.32,;78.63,-84.56,;79.96,-85.34,;81.3,-84.57,;79.95,-86.88,;78.62,-87.64,;73.29,-87.61,;71.96,-86.85,;70.49,-87.33,;69.58,-86.08,;70.49,-84.82,;71.96,-85.3,;73.29,-84.53,;73.29,-82.99,;71.96,-82.22,;70.64,-82.98,;69.3,-82.22,;69.3,-80.67,;70.64,-79.9,;71.97,-80.67,;73.31,-79.91,)|
BDBM50395265 Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:4.3,wD:7.7,(60.32,-84.65,;58.98,-85.42,;58.98,-86.96,;60.31,-87.73,;61.65,-86.96,;61.65,-85.43,;62.99,-84.67,;64.32,-85.44,;65.66,-84.68,;64.31,-86.98,;62.98,-87.75,;57.65,-87.72,;56.32,-86.96,;54.85,-87.44,;53.94,-86.18,;54.85,-84.93,;56.32,-85.41,;57.65,-84.64,;57.65,-83.1,;56.32,-82.33,;55,-83.09,;53.67,-82.32,;53.67,-80.78,;55,-80.01,;56.33,-80.78,;57.67,-80.02,)|
BDBM50395266 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)|
BDBM50395267 Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCCNC4)nc4ccnn34)cc2s1 |r|
BDBM50395268 Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc2n(C)ncc2c1 |r|
BDBM50395269 CC(=O)c1ccc(s1)-c1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r|
BDBM50395270 Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r|
BDBM50395271 Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(OCCN2CCOCC2)cc1 |r|
BDBM50395272 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccc(C)nc2)C(=O)N1 |r|
BDBM50395274 CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r|
BDBM50395275 COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r|
BDBM50395276 CCc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1
BDBM50395277 Cc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1
BDBM50395278 Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl
BDBM50395279 N[C@H]1CC[C@@H](CC1)Nc1nc2ccnn2c(Nc2ccc(F)c(Cl)c2)c1-c1ccccc1 |r,wU:4.7,wD:1.0,(9.17,-48.98,;9.17,-47.44,;10.51,-46.67,;10.51,-45.12,;9.18,-44.36,;7.84,-45.13,;7.84,-46.67,;9.17,-42.82,;7.84,-42.06,;6.51,-42.82,;5.18,-42.06,;3.71,-42.53,;2.8,-41.28,;3.71,-40.03,;5.18,-40.51,;6.51,-39.74,;6.52,-38.2,;5.19,-37.42,;5.2,-35.89,;3.87,-35.11,;2.53,-35.88,;1.2,-35.11,;2.53,-37.43,;1.2,-38.2,;3.86,-38.19,;7.84,-40.52,;9.18,-39.75,;10.5,-40.53,;11.84,-39.77,;11.84,-38.22,;10.5,-37.45,;9.17,-38.22,)|
BDBM50395280 CCCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:6.5,wD:9.9,(41.91,-26.84,;40.57,-27.61,;40.57,-29.15,;39.23,-29.91,;39.23,-31.45,;40.57,-32.23,;41.9,-31.46,;41.9,-29.93,;43.24,-29.16,;44.58,-29.94,;45.91,-29.18,;44.57,-31.48,;43.23,-32.24,;37.91,-32.22,;36.58,-31.45,;35.1,-31.93,;34.19,-30.68,;35.1,-29.43,;36.58,-29.91,;37.91,-29.14,;37.91,-27.6,;36.58,-26.82,;36.59,-25.29,;35.26,-24.51,;33.92,-25.28,;32.59,-24.51,;33.92,-26.83,;32.59,-27.6,;35.25,-27.59,)|
BDBM50395281 CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:5.4,wD:8.8,(24.02,-27.62,;24.01,-29.16,;22.68,-29.93,;22.68,-31.47,;24.01,-32.24,;25.34,-31.47,;25.34,-29.94,;26.68,-29.18,;28.02,-29.95,;29.35,-29.19,;28.01,-31.5,;26.68,-32.26,;21.35,-32.23,;20.02,-31.47,;18.54,-31.95,;17.63,-30.7,;18.54,-29.44,;20.02,-29.92,;21.35,-29.15,;21.35,-27.61,;20.02,-26.84,;20.03,-25.3,;18.7,-24.53,;17.36,-25.3,;16.03,-24.52,;17.36,-26.84,;16.03,-27.61,;18.69,-27.61,)|
BDBM50395282 Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:4.3,wD:7.7,(7.52,-28.97,;6.19,-29.74,;6.19,-31.28,;7.52,-32.05,;8.85,-31.28,;8.85,-29.75,;10.2,-28.98,;11.53,-29.76,;12.87,-29,;11.52,-31.3,;10.19,-32.06,;4.86,-32.04,;3.53,-31.28,;2.06,-31.75,;1.15,-30.5,;2.06,-29.25,;3.53,-29.73,;4.86,-28.96,;4.86,-27.42,;6.2,-26.65,;6.19,-25.12,;7.52,-24.35,;8.86,-25.12,;10.2,-24.35,;8.86,-26.66,;10.19,-27.44,;7.52,-27.43,)|
BDBM50395283 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Br)c2n1 |r,wU:4.7,wD:1.0,(44.37,-17.79,;43.03,-18.55,;41.7,-17.78,;40.35,-18.54,;40.35,-20.07,;41.69,-20.85,;43.02,-20.09,;39.02,-20.84,;37.69,-20.07,;37.69,-18.53,;36.36,-17.75,;36.36,-16.21,;37.7,-15.44,;37.69,-13.91,;39.02,-13.14,;40.36,-13.91,;41.7,-13.14,;40.36,-15.45,;41.69,-16.23,;39.02,-16.22,;35.03,-18.52,;33.56,-18.04,;32.65,-19.29,;33.56,-20.55,;33.08,-22.01,;35.03,-20.07,;36.36,-20.83,)|
BDBM50395284 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Cl)c2n1 |r,wU:4.7,wD:1.0,(29.14,-17.97,;27.81,-18.73,;26.47,-17.96,;25.13,-18.72,;25.13,-20.25,;26.47,-21.03,;27.8,-20.27,;23.8,-21.02,;22.47,-20.25,;22.47,-18.71,;21.14,-17.93,;21.14,-16.39,;22.48,-15.62,;22.47,-14.09,;23.8,-13.32,;25.14,-14.09,;26.48,-13.32,;25.14,-15.63,;26.47,-16.41,;23.8,-16.4,;19.81,-18.7,;18.33,-18.22,;17.42,-19.47,;18.33,-20.72,;17.86,-22.19,;19.81,-20.25,;21.14,-21.01,)|
BDBM50395285 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(C#N)c2n1 |r,wU:4.7,wD:1.0,(14.04,-16.11,;12.7,-16.87,;11.37,-16.1,;10.03,-16.86,;10.03,-18.39,;11.36,-19.17,;12.69,-18.41,;8.69,-19.16,;7.36,-18.39,;7.36,-16.85,;6.03,-16.07,;6.04,-14.53,;7.37,-13.76,;7.37,-12.23,;8.7,-11.46,;10.04,-12.23,;11.37,-11.46,;10.03,-13.77,;11.36,-14.55,;8.7,-14.54,;4.7,-16.84,;3.23,-16.36,;2.32,-17.61,;3.23,-18.87,;2.76,-20.34,;2.28,-21.8,;4.7,-18.39,;6.03,-19.15,)|
BDBM50395286 Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1cccc(OCc2ccccc2)c1 |r,wU:4.3,wD:7.7,(63.72,-72.02,;62.39,-72.79,;62.39,-74.33,;63.72,-75.1,;65.05,-74.33,;65.05,-72.8,;66.4,-72.04,;67.73,-72.81,;69.07,-72.05,;67.72,-74.35,;66.39,-75.11,;61.06,-75.09,;59.73,-74.33,;58.26,-74.81,;57.35,-73.55,;58.26,-72.3,;59.73,-72.78,;61.06,-72.01,;61.06,-70.47,;59.73,-69.7,;59.74,-68.16,;58.41,-67.39,;57.07,-68.15,;57.07,-69.7,;55.74,-70.47,;54.41,-69.7,;53.07,-70.48,;51.75,-69.7,;50.41,-70.47,;50.41,-72.01,;51.76,-72.78,;53.09,-72.01,;58.4,-70.47,)|
BDBM50395287 CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 |r,wU:16.15,wD:19.19,(32.2,-67.34,;33.54,-68.11,;33.54,-69.65,;34.87,-70.42,;34.87,-71.96,;36.21,-69.65,;36.2,-68.1,;37.54,-67.33,;38.87,-68.1,;38.86,-69.64,;40.19,-70.42,;40.19,-71.96,;41.52,-72.73,;42.86,-71.97,;41.52,-74.27,;42.85,-75.04,;44.19,-74.28,;44.19,-72.75,;45.53,-71.98,;46.86,-72.76,;48.2,-72,;46.85,-74.3,;45.52,-75.06,;40.19,-75.04,;38.86,-74.27,;37.39,-74.75,;36.48,-73.5,;37.39,-72.25,;38.86,-72.72,;37.54,-70.41,)|
BDBM50395288 CCOc1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 |r,wU:14.13,wD:17.17,(13.78,-70.54,;15.11,-69.77,;16.45,-70.53,;17.78,-69.76,;17.78,-68.22,;19.12,-67.45,;20.45,-68.22,;20.44,-69.76,;21.77,-70.53,;21.76,-72.07,;23.09,-72.85,;24.43,-72.08,;23.09,-74.39,;24.43,-75.16,;25.76,-74.39,;25.76,-72.86,;27.1,-72.1,;28.44,-72.87,;29.77,-72.11,;28.43,-74.42,;27.09,-75.18,;21.76,-75.15,;20.44,-74.39,;18.96,-74.87,;18.05,-73.62,;18.96,-72.36,;20.44,-72.84,;19.11,-70.53,)|
BDBM50395289 Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1 |r,wU:4.3,wD:7.7,(57.76,-62.11,;56.42,-62.88,;56.42,-64.42,;57.75,-65.19,;59.09,-64.42,;59.09,-62.89,;60.43,-62.13,;61.76,-62.9,;63.1,-62.14,;61.75,-64.44,;60.42,-65.21,;55.09,-65.18,;53.76,-64.42,;52.29,-64.9,;51.38,-63.64,;52.29,-62.39,;53.76,-62.87,;55.09,-62.1,;55.1,-60.56,;53.76,-59.79,;53.77,-58.25,;52.44,-57.48,;51.11,-58.24,;49.77,-57.47,;49.78,-55.93,;48.44,-55.16,;48.45,-53.63,;47.12,-52.85,;45.78,-53.62,;45.78,-55.17,;47.12,-55.93,;51.11,-59.79,;52.44,-60.56,)|
BDBM50395290 CCOC(=O)c1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:15.14,wD:18.18,(27.35,-56.27,;28.68,-55.5,;30.01,-56.27,;31.35,-55.5,;31.35,-53.96,;32.68,-56.28,;34.02,-55.51,;35.35,-56.28,;35.34,-57.82,;36.67,-58.59,;36.67,-60.13,;38,-60.91,;39.33,-60.14,;38,-62.45,;39.33,-63.22,;40.66,-62.45,;40.66,-60.92,;42.01,-60.16,;43.34,-60.94,;44.68,-60.17,;43.33,-62.48,;42,-63.24,;36.67,-63.21,;35.34,-62.45,;33.87,-62.93,;32.96,-61.68,;33.87,-60.42,;35.34,-60.9,;34.01,-58.59,;32.68,-57.82,)|
BDBM50395291 N[C@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2)n2nccc2n1 |r,wU:4.7,wD:1.0,(26.73,-61.06,;25.39,-61.82,;24.06,-61.05,;22.72,-61.81,;22.72,-63.34,;24.05,-64.12,;25.38,-63.36,;21.39,-64.11,;20.05,-63.34,;20.05,-61.8,;18.72,-61.02,;18.73,-59.48,;17.4,-58.71,;17.4,-57.17,;18.74,-56.41,;18.74,-54.87,;17.41,-54.1,;16.07,-54.87,;16.07,-56.41,;17.39,-61.79,;15.92,-61.31,;15.01,-62.56,;15.92,-63.82,;17.39,-63.34,;18.72,-64.1,)|
BDBM50395292 N[C@H]1CC[C@@H](CC1)Nc1cc(NCC2CCCCC2)n2nccc2n1 |r,wU:4.7,wD:1.0,(57.56,-48.57,;56.23,-49.33,;54.89,-48.56,;53.55,-49.32,;53.55,-50.85,;54.89,-51.64,;56.22,-50.87,;52.22,-51.62,;50.89,-50.85,;50.89,-49.31,;49.56,-48.53,;49.56,-46.99,;48.23,-46.22,;48.23,-44.68,;49.58,-43.92,;49.59,-42.39,;48.26,-41.61,;46.92,-42.37,;46.91,-43.91,;48.23,-49.3,;46.76,-48.82,;45.85,-50.07,;46.76,-51.33,;48.23,-50.85,;49.56,-51.61,)|
BDBM50395293 CC(C)CCNc1cc(N[C@H]2CC[C@H](N)CC2)nc2ccnn12 |r,wU:10.9,wD:13.13,(32.68,-42.32,;32.68,-43.86,;31.35,-44.63,;34.01,-44.64,;34.01,-46.18,;35.34,-46.95,;35.34,-48.49,;36.67,-49.27,;36.67,-50.81,;38,-51.58,;39.33,-50.81,;39.33,-49.28,;40.68,-48.52,;42.01,-49.29,;43.35,-48.53,;42,-50.83,;40.67,-51.59,;35.34,-51.57,;34.01,-50.81,;32.54,-51.29,;31.63,-50.03,;32.54,-48.78,;34.01,-49.26,)|
BDBM50395294 CN(c1ccc(F)c(Cl)c1)c1cc(N[C@H]2CC[C@H](N)CC2)nc2ccnn12 |r,wU:14.14,wD:17.18,(21.08,-45.61,;19.75,-46.38,;18.41,-45.61,;18.42,-44.07,;17.09,-43.3,;15.76,-44.07,;14.42,-43.29,;15.76,-45.61,;14.43,-46.38,;17.09,-46.38,;19.74,-47.92,;21.07,-48.7,;21.07,-50.24,;22.4,-51.01,;23.74,-50.24,;23.74,-48.71,;25.08,-47.95,;26.41,-48.72,;27.75,-47.96,;26.4,-50.27,;25.07,-51.03,;19.74,-51,;18.41,-50.24,;16.94,-50.72,;16.03,-49.47,;16.94,-48.21,;18.41,-48.69,)|
BDBM50395295 CCOc1ccc(Nc2c(C)c(O[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(27.17,-63.47,;25.84,-64.23,;24.51,-63.46,;23.17,-64.23,;23.17,-65.77,;21.83,-66.54,;20.5,-65.76,;19.17,-66.53,;19.17,-68.07,;20.49,-68.85,;21.83,-68.08,;20.49,-70.39,;21.83,-71.16,;23.16,-70.39,;23.15,-68.86,;24.5,-68.09,;25.83,-68.87,;27.17,-68.1,;25.82,-70.41,;24.49,-71.17,;19.17,-71.15,;17.84,-70.39,;16.36,-70.86,;15.45,-69.61,;16.36,-68.36,;17.84,-68.84,;20.5,-64.23,;21.83,-63.46,)|
BDBM50395296 CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3=O)nc3ccnn23)cc1 |r|
BDBM50395297 CCOc1ccc(Nc2c(C)c(nc3ccnn23)N(C)C2CCCNC2)cc1
BDBM50395298 CCOc1ccc(Nc2c(C)c(NCCO)nc3ccnn23)cc1
BDBM50395299 CCOc1ccc(Nc2c(C)c(NCCCCN)nc3ccnn23)cc1
BDBM50395300 CCOc1ccc(Nc2c(C)c(NCCCN)nc3ccnn23)cc1
BDBM50395301 CCOc1ccc(Nc2c(C)c(NCCN)nc3ccnn23)cc1
BDBM50395302 CCOc1ccc(Nc2c(C)c(N[C@H]3CC[C@H](O)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(42.04,-28.96,;40.71,-29.73,;39.38,-28.96,;38.04,-29.73,;38.04,-31.27,;36.7,-32.04,;35.38,-31.26,;34.04,-32.03,;34.04,-33.57,;35.37,-34.34,;36.7,-33.58,;35.37,-35.88,;36.7,-36.66,;38.03,-35.89,;38.03,-34.36,;39.37,-33.59,;40.71,-34.37,;42.04,-33.61,;40.7,-35.91,;39.37,-36.67,;34.04,-36.65,;32.71,-35.88,;31.23,-36.36,;30.32,-35.11,;31.23,-33.86,;32.71,-34.34,;35.37,-29.73,;36.7,-28.96,)|
BDBM50395303 CCOc1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(27.41,-30.13,;26.07,-30.9,;24.74,-30.13,;23.41,-30.9,;23.4,-32.44,;22.07,-33.2,;20.74,-32.43,;19.4,-33.19,;19.4,-34.73,;20.73,-35.51,;22.06,-34.74,;20.73,-37.05,;22.06,-37.82,;23.4,-37.05,;23.39,-35.52,;24.74,-34.76,;26.07,-35.54,;27.41,-34.77,;26.06,-37.08,;24.73,-37.84,;19.4,-37.81,;18.07,-37.05,;16.6,-37.53,;15.69,-36.28,;16.6,-35.02,;18.07,-35.5,;20.73,-30.89,;22.06,-30.12,)|
BDBM50395304 Fc1ccc(Nc2cc(NCC3CCNCC3)nc3ccnn23)cc1Cl
BDBM50395305 Nc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)cc1
BDBM50395306 Fc1ccc(Nc2cc(NC3CCNCC3)nc3ccnn23)cc1Cl
BDBM50395307 NC1CCCC(C1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1
BDBM50395308 CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:7.10,wD:4.3,(32.77,-54.18,;31.43,-54.94,;31.42,-56.48,;30.1,-54.17,;28.76,-54.93,;27.43,-54.15,;26.09,-54.92,;26.09,-56.45,;27.42,-57.23,;28.75,-56.47,;24.75,-57.22,;23.42,-56.44,;23.42,-54.9,;22.09,-54.13,;22.1,-52.59,;23.43,-51.82,;23.43,-50.29,;24.76,-49.52,;26.1,-50.29,;27.43,-49.52,;26.09,-51.83,;27.43,-52.61,;24.76,-52.6,;20.76,-54.9,;19.29,-54.42,;18.38,-55.67,;19.29,-56.92,;20.76,-56.44,;22.09,-57.21,)|
BDBM50395309 CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:8.11,wD:5.4,(15.63,-55.23,;14.29,-55.99,;12.96,-55.22,;12.97,-53.68,;14.3,-52.91,;11.62,-55.98,;10.29,-55.2,;8.95,-55.97,;8.95,-57.5,;10.28,-58.28,;11.61,-57.52,;7.61,-58.27,;6.28,-57.49,;6.28,-55.95,;4.95,-55.18,;4.95,-53.64,;6.29,-52.87,;6.29,-51.34,;7.62,-50.57,;8.96,-51.34,;10.29,-50.57,;8.95,-52.88,;10.28,-53.66,;7.62,-53.65,;3.62,-55.95,;2.15,-55.47,;1.24,-56.72,;2.15,-57.97,;3.62,-57.49,;4.95,-58.26,)|
BDBM50395310 CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:6.9,wD:3.2,(45.36,-42.11,;44.02,-42.87,;42.69,-42.1,;41.36,-42.86,;40.02,-42.08,;38.68,-42.85,;38.68,-44.38,;40.01,-45.16,;41.35,-44.4,;37.35,-45.14,;36.01,-44.37,;36.01,-42.83,;34.69,-42.06,;34.69,-40.52,;36.02,-39.75,;36.02,-38.22,;37.35,-37.45,;38.69,-38.22,;40.03,-37.45,;38.69,-39.76,;40.02,-40.53,;37.35,-40.53,;33.36,-42.82,;31.88,-42.35,;30.97,-43.6,;31.88,-44.85,;33.36,-44.37,;34.69,-45.14,)|
BDBM50395311 Fc1ccc(Nc2cc(NC3CCCCC3)nc3ccnn23)cc1Cl
BDBM50395312 CC(C)(C)c1cc2nc(N[C@H]3CC[C@H](N)CC3)cc(Nc3ccc(F)c(Cl)c3)n2n1 |r,wU:10.9,wD:13.13,(31.32,-6.43,;32.09,-7.77,;31.32,-9.1,;30.55,-7.76,;33.63,-7.77,;34.54,-9.02,;36.02,-8.54,;37.35,-9.3,;38.67,-8.54,;40.01,-9.31,;41.34,-8.54,;41.34,-7.01,;42.68,-6.25,;44.02,-7.03,;45.35,-6.26,;44.01,-8.57,;42.67,-9.33,;38.67,-7,;37.35,-6.22,;37.35,-4.68,;38.68,-3.92,;38.68,-2.38,;40.01,-1.61,;41.35,-2.39,;42.69,-1.62,;41.35,-3.93,;42.68,-4.7,;40.01,-4.69,;36.02,-6.99,;34.54,-6.51,)|
BDBM50395313 Cc1cc2nc(N[C@H]3CC[C@H](N)CC3)cc(Nc3ccc(F)c(Cl)c3)n2n1 |r,wU:7.6,wD:10.10,(15.3,-7.13,;16.84,-7.13,;17.75,-8.38,;19.22,-7.9,;20.55,-8.67,;21.88,-7.9,;23.21,-8.67,;24.55,-7.91,;24.55,-6.38,;25.89,-5.61,;27.22,-6.39,;28.56,-5.63,;27.21,-7.93,;25.88,-8.69,;21.88,-6.36,;20.55,-5.59,;20.56,-4.05,;21.89,-3.28,;21.89,-1.75,;23.22,-.98,;24.56,-1.75,;25.89,-.98,;24.55,-3.29,;25.89,-4.06,;23.22,-4.06,;19.22,-6.35,;17.75,-5.88,)|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50411445 Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1
BDBM50425861 COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
BDBM50425862 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
BDBM50425863 CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
BDBM50425864 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
BDBM50425865 CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
BDBM50425829 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1
BDBM50425830 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
BDBM50425831 COc1ccccc1CNc1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
BDBM50425008 CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
BDBM50425832 COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
BDBM50431025 CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17|
BDBM50431026 CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1 |r,w:15.17|
BDBM50431027 O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
BDBM50431028 CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
BDBM50431029 O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
BDBM50431030 Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
BDBM50433758 NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
BDBM50433759 NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1
BDBM50433760 NCCCNc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1
BDBM50433761 N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
BDBM50433762 N[C@H]1CC[C@@H](CC1)Nc1cnc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(38,-12.55,;39.33,-13.32,;39.33,-14.87,;40.67,-15.64,;41.99,-14.86,;41.99,-13.32,;40.67,-12.56,;43.33,-15.63,;43.34,-17.17,;42.01,-17.94,;42,-19.48,;43.34,-20.25,;43.34,-21.79,;42.01,-22.56,;44.67,-22.56,;44.68,-19.47,;46.15,-19.94,;47.05,-18.69,;46.13,-17.45,;44.67,-17.93,;48.59,-18.68,;49.36,-20.01,;50.9,-20,;51.66,-18.66,;53.2,-18.65,;50.88,-17.33,;49.34,-17.34,)|
BDBM50433763 NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
BDBM50433764 N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c2nc(cn12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(27.43,-20.12,;26.1,-19.35,;26.1,-17.81,;24.76,-17.03,;23.44,-17.81,;23.43,-19.35,;24.76,-20.12,;22.11,-17.04,;22.1,-15.5,;20.77,-14.73,;20.77,-13.19,;22.1,-12.42,;22.1,-10.88,;23.43,-10.1,;20.76,-10.11,;23.44,-13.18,;24.9,-12.7,;25.81,-13.94,;24.91,-15.19,;23.44,-14.72,;27.35,-13.93,;28.13,-15.26,;29.67,-15.25,;30.43,-13.91,;31.97,-13.9,;29.64,-12.58,;28.11,-12.59,)|
BDBM50433765 NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(F)cc1 |r|
BDBM50433766 NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r|
BDBM50433767 N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)c(Cl)c1 |r,wU:4.7,wD:1.0,(10.68,-10.98,;12.01,-11.75,;12.02,-13.29,;13.35,-14.07,;14.69,-13.3,;14.68,-11.75,;13.35,-10.99,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.03,-15.78,;23.57,-15.76,;24.35,-17.1,;25.89,-17.09,;23.59,-18.44,;24.37,-19.76,;22.05,-18.44,)|
BDBM50433768 N[C@H]1CC[C@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,1.0,(10.68,-10.98,;12.01,-11.75,;13.35,-10.99,;14.68,-11.75,;14.69,-13.3,;13.35,-14.07,;12.02,-13.29,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.05,-18.44,;23.59,-18.44,;24.35,-17.1,;25.89,-17.09,;23.57,-15.76,;22.03,-15.78,)|
BDBM50433769 CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)|
BDBM50433770 NC(=O)c1cnc(Nc2cccnc2)c2nc(cn12)-c1ccc(Cl)cc1
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50434485 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
BDBM50434486 O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434487 FC1(F)c2cc(oc2C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(cc12)C1CCNCC1)-c1ccc(cc1)C#N
BDBM50434488 O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1
BDBM50434489 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cncnc3)C(=O)c2o1)N1CCNCC1
BDBM50434490 COc1ccncc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434491 COc1ncccc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434492 O=C1N(Cc2ccccc2-c2cccnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434493 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3ccncc3)C(=O)c2o1)N1CCNCC1
BDBM50434494 COc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434495 COc1cc(ccn1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
BDBM50434496 Fc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434497 Fc1cccc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50434498 O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1
BDBM50434499 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)C1CCNCC1
BDBM50434500 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3Br)C(=O)c2o1)N1CCNCC1
BDBM50434501 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccn3)C(=O)c2o1)N1CCNCC1
BDBM50434502 FC(F)CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
BDBM50434503 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC3CC3)C(=O)c2o1)N1CCNCC1
BDBM50434504 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC=C)C(=O)c2o1)N1CCNCC1
BDBM50434505 CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
BDBM50442757 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
BDBM50442758 CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442759 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442760 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
BDBM50012060 Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM50045394 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)[C@@H]1CNCCO1 |r|
BDBM50045399 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)[C@H]1CNCCO1 |r|
BDBM50045404 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CNCC=C1 |c:31|
BDBM50045405 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)-c1cccnc1
BDBM50045407 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCCCN1
BDBM50045409 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCCNC1
BDBM50045410 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCNCC1
BDBM50045412 Clc1cc(ccc1N1CCNCC1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
BDBM50045413 N#Cc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1-c1cncnc1)N1CCNCC1
BDBM50045414 FC(F)(F)c1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50045415 Brc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50045416 Cc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50045417 Clc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50045419 Clc1ccc(cc1)-c1ccc(o1)-c1nc2ccccc2n1-c1ccc(cc1)N1CCNCC1
BDBM50045420 N#Cc1ccc(cc1)-c1ccc(o1)-c1nnnn1-c1ccc(cc1)N1CCNCC1
BDBM50045422 N#Cc1ccc(cc1)-c1ccc(o1)-c1nncn1-c1ccc(cc1)N1CCNCC1
BDBM50045423 Clc1ccc(cc1)-c1ccc(o1)-c1nncn1-c1ccc(cc1)N1CCNCC1
BDBM50045425 N#Cc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
BDBM175242 Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(3.33,-1.54,;2,-2.31,;2,-3.85,;.67,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;.67,,;2,.77,;3.33,,;2,2.31,;.67,3.08,;.67,4.62,;2,5.39,;3.33,4.62,;3.33,3.08,;4.67,2.31,;6,3.08,;7.34,2.31,;6,4.62,;4.67,5.39,;4.67,6.93,;-.67,2.31,;-2,3.08,;-.67,.77,;-2,,;-2,-4.62,;-2,-6.16,;-3.33,-6.93,;-4.67,-6.16,;-4.67,-4.62,;-3.33,-3.85,;-6,-3.85,;-6.77,-2.52,;-5.23,-2.52,;-7.34,-4.62,)|
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM50045371 OC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
BDBM50045373 FC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
BDBM50045385 FC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(Cl)cc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50045370 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
BDBM50045374 OC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(Cl)cc1
BDBM50045406 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)-c1ccncc1
BDBM50045411 Brc1cc(ccc1N1CCNCC1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
BDBM50045418 Fc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
BDBM50045421 Clc1ccc(cc1)-c1ccc(o1)-c1ncnn1-c1ccc(cc1)N1CCNCC1
BDBM158154 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50127670 CCCc1cnc(N)c(CNC(=O)Nc2ccc(cc2)N(C(=O)c2ccccc2)c2ccccc2)n1
BDBM50127696 CC(C)(C)OC(=O)Nc1ccc(N\C(NCc2nc(cnc2N)C2CC2)=N\S(C)(=O)=O)cc1
BDBM50127698 CCCc1cnc(N)c(CN\C(Nc2ccc(cc2)N(C(=O)c2ccccc2)c2ccccc2)=N/C(=O)c2ccc(Cl)cc2)n1
BDBM50127699 CC(=O)\N=C(/NCc1nc(Cl)cnc1N)Nc1ccc(NC(=O)OC(C)(C)C)cc1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50127668 Nc1ncc(nc1CNC(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1)C1CC1
BDBM50127677 Nc1ncc(nc1CNC(=O)Nc1ccc2[nH]c(=O)oc2c1)C1CC1
BDBM50127681 COc1ccc(cc1)C(=O)\N=C(/NCc1nc(cnc1N)C1CC1)Nc1ccc2[nH]c(=O)oc2c1
BDBM50127685 CC(C)(C)OC(=O)Nc1ccc(N\C(NCc2nc(Cl)cnc2N)=N\C(=O)c2ccccc2)cc1
BDBM50127686 CCCc1cnc(N)c(CN\C(Nc2ccc(cc2)N(C(=O)c2ccccc2)c2ccccc2)=N/C#N)n1
BDBM50127691 Cc1cnc(N)c(CN\C(Nc2ccc(NC(=O)OC(C)(C)C)cc2)=N/C#N)n1
BDBM50127667 Nc1ncc(Cl)nc1CNC(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
BDBM50127672 CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)OC)cc2)n1
BDBM50127673 CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1
BDBM50127674 CCCc1cnc(N)c(CNC(=O)Nc2ccc(OC(=O)OC(C)(C)C)cc2)n1
BDBM50127675 CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1
BDBM50127676 CCCc1cnc(N)c(CNC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1
BDBM50127669 CCCc1cnc(N)c(CNC(=O)Nc2ccccc2Cl)n1
BDBM50127671 CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)OCc3ccccc3)cc2)n1
BDBM50127678 Nc1ncc(Cl)nc1CNC(=O)Nc1ccc2[nH]c(=O)oc2c1
BDBM50127682 Nc1ncc(nc1CN\C(Nc1ccc2[nH]c(=O)oc2c1)=N/C(=O)c1ccc(Cl)cc1)C1CC1
BDBM50127683 Cc1ccc(cc1)C(=O)\N=C(/NCc1nc(cnc1N)C1CC1)Nc1ccc2[nH]c(=O)oc2c1
BDBM50127679 CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2nc(Cl)cnc2N)cc1
BDBM50127680 CCCc1cnc(N)c(CN\C(Nc2ccc3[nH]c(=O)oc3c2)=N/C(=O)c2ccccc2)n1
BDBM50127684 CCOC(=O)\N=C(/NCc1nc(cnc1N)C1CC1)Nc1ccc2[nH]c(=O)oc2c1
BDBM50127688 CCCc1cnc(N)c(CN\C(Nc2ccc3[nH]c(=O)oc3c2)=N/C#N)n1
BDBM50127689 CC(C)(C)OC(=O)Nc1ccc(N\C(NCc2nc(cnc2N)C2CC2)=N\C#N)cc1
BDBM50127692 CC(C)(C)OC(=O)Nc1ccc(N\C(NCc2nc(Cl)cnc2N)=N\C#N)cc1
BDBM50127693 Nc1ncc(Cl)nc1CN\C(Nc1ccccc1)=N/C#N
BDBM50127694 CO\N=C(/NCc1nc(Cl)cnc1N)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
BDBM50127695 CO\N=C(/NCc1nc(Cl)cnc1N)Nc1ccc(NC(=O)OC(C)(C)C)cc1
BDBM50157880 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50166588 C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
BDBM50172065 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)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](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50172064 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)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](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50172066 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|