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2518 SMILES Strings for Cyclin-dependent kinase 2

Compound NameSMILES String
BDBM148200 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCC#N)CC3)nc2n1C1CCCC1
BDBM148199 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n1C1CCCC1
BDBM148201 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(N)=O)CC3)nc2n1C1CCCC1
BDBM148202 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC(O)C4)cn3)nc2n1C1CCCC1
BDBM148225 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)nc2n1C1CCCC1
BDBM148224 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCOCCO)CC3)nc2n1C1CCCC1
BDBM148226 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(CCO)CC3)nc2n1C1CCCC1
BDBM148227 CC(CO)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148203 C1CCC(C1)n1c(cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc12)-c1cnco1
BDBM148204 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CN)nc2n1C1CCCC1
BDBM148205 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n1C1CCCC1
BDBM148206 COCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148228 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
BDBM148229 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCOCC3)nc2n1C1CCCC1
BDBM148230 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC[C@H](O)C3)nc2n1C1CCCC1 |r|
BDBM148231 CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(C)(O)CC1 |(3.47,4.93,;4.24,3.6,;5.78,3.6,;3.47,2.26,;4.24,.93,;1.93,2.26,;1.02,3.51,;-.44,3.03,;-1.78,3.8,;-3.11,3.03,;-3.11,1.49,;-4.44,.72,;-4.44,-.82,;-3.11,-1.59,;-3.11,-3.13,;-4.44,-3.9,;-5.78,-3.13,;-5.78,-1.59,;-1.78,.72,;-.44,1.49,;1.02,1.02,;1.42,-.47,;.33,-1.56,;.73,-3.05,;2.22,-3.44,;1.82,-4.93,;3.31,-4.53,;3.31,-2.36,;2.91,-.87,)|
BDBM148207 CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
BDBM148208 C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148209 C[C@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148210 C(N1CCNCC1)c1ccc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)nc1
BDBM148211 CC1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148212 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n1C1CCCC1
BDBM148213 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCCO)CC3)nc2n1C1CCCC1
BDBM148233 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2n1C1CCCC1
BDBM148234 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)CC4)cn3)nc2n1C1CCCC1
BDBM148235 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(O)CO)CC3)nc2n1C1CCCC1
BDBM148232 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)CCN)nc2n1C1CCCC1
BDBM148236 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)OC(C)(C)C)nc2n1C1CCCC1
BDBM148237 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@@H](O)CO)CC3)nc2n1C1CCCC1 |r|
BDBM148238 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)nc1
BDBM148214 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCC3)nc2n1C1CCCC1
BDBM148215 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CCCCC3)nc2n1C1CCCC1
BDBM148216 CC1CN(CC(C)N1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148217 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(F)(F)F)CC3)nc2n1C1CCCC1
BDBM148218 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
BDBM148219 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CC3)nc2n1C1CCCC1
BDBM148239 CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM148240 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCNCC3)nc2n1C1CCCC1
BDBM148241 CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148242 CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)C)nc2n1C1CCCC1
BDBM148243 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCNCC3)nc2n1C1CCCC1
BDBM148194 CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCCC1
BDBM148197 CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148195 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)NC3CCNCC3)nc2n1C1CCCC1
BDBM148196 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(=O)C3)nc2n1C1CCCC1
BDBM148198 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)=O)nc2n1C1CCCC1
BDBM148220 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@H](O)CO)CC3)nc2n1C1CCCC1 |r|
BDBM148221 C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148222 C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148223 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC(O)C3)nc2n1C1CCCC1
BDBM126500 COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
BDBM2544 COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
BDBM2578 C[C@@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
BDBM2489 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
BDBM3032 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
BDBM2675 CC(C)(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM2492 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
BDBM2576 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM2600 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4|
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
BDBM4622 COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM150752 NNc1ncnc2sc3CCCCc3c12
BDBM150753 NNc1ncnc2sc3CCCCCc3c12
BDBM150754 CC(=O)OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
BDBM5541 Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
BDBM5566 Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
BDBM5470 COc1nc(N)nc2nc[nH]c12
BDBM5594 NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
BDBM5530 C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
BDBM5485 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
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|
BDBM5709 CCSc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1
BDBM5710 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
BDBM5711 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O |r|
BDBM5713 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1)cc2=O
BDBM5714 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(SC(C)(C)C)cc2=O
BDBM5715 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1nc(C)cc(C)n1)cc2=O
BDBM5718 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
BDBM5768 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
BDBM5775 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
BDBM5929 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6383 Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
BDBM6301 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
BDBM6302 CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
BDBM6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
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,)|
BDBM6619 O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7266 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM6780 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4|
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM6939 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12
BDBM7110 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
BDBM7111 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
BDBM7117 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
BDBM7118 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
BDBM7119 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
BDBM7120 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
BDBM7123 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
BDBM7132 NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7133 Brc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7134 Clc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7135 COc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7144 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
BDBM7145 Cc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
BDBM7146 CCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
BDBM7147 CCCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
BDBM7148 CC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
BDBM7150 CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
BDBM7151 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
BDBM7152 Brc1ccc(cc1)C(=O)Nc1cc(Cc2ccccc2)[nH]n1
BDBM7154 NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
BDBM7155 COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
BDBM7157 FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
BDBM7158 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
BDBM7163 O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
BDBM6991 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccnc1)C(F)(F)F
BDBM7001 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(N)c1)C(F)(F)F
BDBM7124 Cc1cc(NC(=O)c2ccccc2)[nH]n1
BDBM7125 CCCC(=O)Nc1cc(C)[nH]n1
BDBM7100 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
BDBM7101 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
BDBM7106 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
BDBM7107 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
BDBM7108 O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
BDBM7126 CCCC(=O)Nc1cc([nH]n1)C1CC1
BDBM7127 O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
BDBM7128 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7129 Clc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7130 COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7131 OC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7136 FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7143 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
BDBM7153 O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
BDBM7092 CO[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
BDBM7093 CO[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
BDBM7095 N[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
BDBM7097 O=C(Nc1cc(n[nH]1)C1CC1)C(=O)c1ccccc1
BDBM7098 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
BDBM7099 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
BDBM7238 COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
BDBM7137 Brc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7138 Clc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7139 COc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7140 Clc1cccc(Cl)c1C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7141 Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM7142 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCC1
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7498 CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
BDBM7499 CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
BDBM7501 CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
BDBM7392 O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
BDBM7393 O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
BDBM7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7478 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
BDBM7615 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
BDBM7646 CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
BDBM7657 NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
BDBM7659 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
BDBM7727 COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
BDBM7728 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
BDBM7729 CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
BDBM7730 CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
BDBM7731 CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
BDBM7732 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
BDBM7733 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
BDBM7737 Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
BDBM7738 COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
BDBM7740 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
BDBM7741 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
BDBM7742 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
BDBM7743 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
BDBM7744 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
BDBM7745 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
BDBM7746 NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
BDBM7747 CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
BDBM7748 CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
BDBM7749 OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
BDBM7754 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1 |w:13.15|
BDBM7755 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|
BDBM7758 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1 |w:13.15|
BDBM7761 CC(=O)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
BDBM7765 NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15|
BDBM7672 CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
BDBM7674 CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
BDBM7680 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
BDBM7681 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
BDBM7682 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
BDBM7683 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
BDBM7684 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
BDBM7685 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
BDBM7686 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
BDBM7687 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
BDBM7688 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
BDBM7690 CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
BDBM7691 CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
BDBM7692 CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
BDBM7693 [#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
BDBM7694 CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
BDBM7695 CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
BDBM7696 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
BDBM7697 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccncc4)c23)cc1 |w:9.8|
BDBM7699 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
BDBM7700 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
BDBM7701 CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
BDBM7702 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
BDBM7704 NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
BDBM7705 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
BDBM7706 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
BDBM7707 Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
BDBM7708 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
BDBM7709 COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
BDBM7711 Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
BDBM7712 CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
BDBM7713 CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
BDBM7714 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
BDBM7715 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
BDBM7716 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
BDBM7717 COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
BDBM7718 CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
BDBM7719 CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
BDBM7720 NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
BDBM7721 CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
BDBM7722 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
BDBM7723 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
BDBM7724 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
BDBM7725 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
BDBM7726 CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
BDBM7772 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1 |w:13.15|
BDBM8152 COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
BDBM8181 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
BDBM8182 FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
BDBM8189 FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
BDBM8197 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
BDBM8213 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CC2)cc1F
BDBM8126 N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
BDBM8128 COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM8129 N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM8131 CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM8133 CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM8136 C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
BDBM8137 Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
BDBM8146 Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM8037 Cc1nc(C)c(s1)-c1ccnc(N)n1
BDBM8043 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
BDBM8046 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
BDBM8049 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
BDBM8061 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
BDBM8065 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
BDBM8066 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM8068 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
BDBM8069 CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
BDBM8348 Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
BDBM8349 Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
BDBM8353 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
BDBM8357 CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
BDBM8364 Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
BDBM8369 O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1
BDBM8371 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
BDBM8374 NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
BDBM8382 Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
BDBM8384 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1
BDBM8385 O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1
BDBM8386 O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
BDBM8387 O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1
BDBM8388 O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1
BDBM8389 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
BDBM8390 Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
BDBM8391 O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1
BDBM8392 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
BDBM8393 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1
BDBM8394 Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
BDBM8395 CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
BDBM8396 Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
BDBM8556 OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
BDBM10109 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r|
BDBM10112 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r|
BDBM153742 O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
BDBM11460 N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
BDBM12028 Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM154576 CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
BDBM6145 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
BDBM6192 C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O |r|
BDBM154577 CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
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
BDBM13246 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
BDBM13268 Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
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
BDBM14032 CCn1c(nc2cnccc12)-c1nonc1N
BDBM14047 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17053 CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24626 Nc1cncc(Cl)n1
BDBM24627 c1n[nH]c2ccccc12
BDBM24631 NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
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
BDBM24996 CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
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
BDBM25036 CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27216 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM27452 COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
BDBM26198 CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
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
BDBM28047 Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
BDBM28050 O=C1NC(=O)c2ccc(Nc3ccccc3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:19.22|
BDBM28077 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccoc1 |w:12.14|
BDBM31545 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
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
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM32021 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM43654 NNc1ncnc2sc3CCCc3c12
BDBM50576 COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
BDBM50651 Nc1ccc2C(=O)c3c(Cl)c(N)ccc3C(=O)c2c1Cl
BDBM52831 Cc1ccc(cc1)N=Nc1c(O)ccc2nn[nH]c12 |w:8.9|
BDBM54680 Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
BDBM59088 OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30,(.54,6.93,;1.87,7.7,;3.2,6.93,;4.54,7.7,;5.87,6.93,;7.2,7.7,;8.54,6.93,;8.54,5.39,;7.2,4.62,;5.87,5.39,;9.87,4.62,;9.87,3.08,;11.21,2.31,;12.54,3.08,;13.87,2.31,;15.21,3.08,;15.21,4.62,;16.54,5.39,;17.87,4.62,;19.21,5.39,;20.54,4.62,;20.54,3.08,;21.88,2.31,;19.21,2.31,;19.21,.77,;17.67,.77,;18.44,-.56,;18.04,-2.05,;19.58,-2.05,;19.98,-.56,;20.32,.32,;17.87,3.08,;16.54,2.31,;12.54,4.62,;11.21,5.39,)|
BDBM59089 COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
BDBM59090 O=C(Nc1cc(n[nH]1)C1CCC[NH2+]1)Nc1cccc2C(=O)N3CCCC3c12
BDBM59087 O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
BDBM59253 CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c(=O)c12 |(10.12,4.57,;8.61,4.25,;7.58,5.4,;8.13,2.79,;9.04,1.54,;8.13,.29,;8.61,-1.17,;10.1,-1.57,;11.19,-.48,;10.5,-3.06,;9.41,-4.15,;10.18,-5.48,;7.92,-3.75,;7.52,-2.26,;6.03,-1.86,;6.67,.77,;5.33,,;4,.77,;2.67,,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;2.67,-6.16,;4,-6.93,;4,-8.47,;5.33,-7.7,;5.33,-6.16,;6.67,-6.93,;5.33,-4.62,;4,-3.85,;4,-2.31,;4,2.31,;5.33,3.08,;5.33,4.62,;6.67,2.31,)|
BDBM59236 O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
BDBM61867 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
BDBM65549 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
BDBM67612 O=C1C(C(=O)c2ccccc12)c1ccccn1
BDBM129353 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)CCO)ncc1C(F)(F)F |r|
BDBM129354 COC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
BDBM129355 CS(=O)(=O)c1ccc(Nc2ncc(c(OCC#C)n2)C(F)(F)F)cc1
BDBM129356 CS(=O)(=O)c1ccc(Nc2ncc(c(OCCC(F)(F)F)n2)C(F)(F)F)cc1
BDBM129357 CS(=O)(=O)c1ccc(Nc2ncc(c(OCC=C)n2)C(F)(F)F)cc1
BDBM129358 CS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCC3)n2)C(F)(F)F)cc1
BDBM129346 C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F)C(C)(C)O |r|
BDBM129347 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)ncc1C(F)(F)F |r|
BDBM129348 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(F)F)ncc1C(F)(F)F |r|
BDBM129349 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CCCC2)ncc1C(F)(F)F |r|
BDBM129350 C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC=C)ncc1C(F)(F)F)C(C)(C)O |r|
BDBM129351 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(C)C)ncc1C(F)(F)F |r|
BDBM129352 C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC#C)ncc1C(F)(F)F)C(C)(C)O |r|
BDBM81429 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
BDBM81430 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
BDBM81431 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
BDBM81432 CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
BDBM81433 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
BDBM81434 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
BDBM81435 CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
BDBM81436 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
BDBM81437 Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
BDBM81438 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1
BDBM81439 Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1
BDBM81440 Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
BDBM81441 Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
BDBM81623 CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(NC3CCC(N)CC3)nc12 |(2.18,-.85,;.69,-.46,;.21,1.01,;1.12,2.25,;.21,3.5,;-1.25,3.02,;-2.58,3.8,;-2.58,5.34,;-1.25,6.11,;-1.25,7.65,;.08,8.42,;1.42,7.65,;1.42,6.11,;.08,5.33,;2.75,8.42,;2.87,6.66,;2.75,9.96,;4.08,9.19,;5.42,8.42,;6.75,9.19,;6.75,7.65,;5.42,6.88,;-3.92,3.02,;-3.92,1.48,;-5.25,.71,;-6.59,1.48,;-6.59,3.03,;-7.92,3.8,;-9.25,3.03,;-10.59,3.79,;-9.25,1.48,;-7.92,.71,;-2.58,.71,;-1.25,1.48,)|
BDBM86638 O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
BDBM84534 OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21|
BDBM84535 CN(C)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:14.23|
BDBM84536 CN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
BDBM84537 OCCNS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:15.24|
BDBM84538 OC(=O)CCNS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:17.26|
BDBM84539 CN(C)C1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:20.30|
BDBM84540 CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |r,w:24.33|
BDBM84541 CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:18.27|
BDBM84542 CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
BDBM84543 CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
BDBM84544 CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
BDBM84545 CC1(O)C(=Nc2ccccc12)C1C(=O)Nc2ccc(Br)cc12 |c:3|
BDBM84546 CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:14|
BDBM84548 CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:14|
BDBM84550 CN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)C(O)CO)c2c1 |t:14|
BDBM84552 CC1(O)C(=Nc2ccccc12)C1C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCC(O)CC1 |c:3|
BDBM84553 CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18|
BDBM84555 CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18|
BDBM91741 CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
BDBM91742 CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)CS(=O)(=O)c1ccc(Br)cc1
BDBM91743 CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM91744 COc1cc(ccc1NC(=O)CN1CCOCC1)[N+]([O-])=O
BDBM91745 [O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
BDBM91746 Cc1c(NS(=O)(=O)c2cccc3nonc23)c(=O)n(-c2ccccc2)n1C
BDBM91747 CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
BDBM91748 [O-][N+](=O)c1ccn(CC(=O)N2CCCc3ccccc23)n1
BDBM91749 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM91750 CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
BDBM91751 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)n1
BDBM91752 OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1
BDBM91753 CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C
BDBM91754 Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM91755 CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM91756 COc1cc(cc(OC)c1OC)-c1nnc(SCC(N)=O)n1C
BDBM91757 COc1ccc(cc1NC(=O)C(C)Oc1ccccc1C)[N+]([O-])=O
BDBM91758 COc1ccccc1CNC(=O)CSc1nnnn1-c1c(C)cccc1C |(9.26,.77,;9.26,-.77,;7.93,-1.54,;6.59,-.77,;5.26,-1.54,;5.26,-3.08,;6.59,-3.85,;7.93,-3.08,;9.26,-3.85,;10.6,-3.08,;11.93,-3.85,;11.93,-5.39,;13.26,-3.08,;14.6,-3.85,;15.93,-3.08,;16.09,-1.55,;17.6,-1.23,;18.37,-2.56,;17.34,-3.7,;17.66,-5.21,;16.51,-6.24,;15.05,-5.77,;16.83,-7.75,;18.3,-8.22,;19.44,-7.19,;19.12,-5.69,;20.27,-4.66,)|
BDBM91759 Cn1c(Cc2ccccc2)nnc1Sc1ccc(cc1C(=O)N1CCOCC1)[N+]([O-])=O
BDBM91760 COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O
BDBM91761 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
BDBM91762 CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(CC1)c1ccccc1
BDBM91763 COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1SC
BDBM91765 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
BDBM91766 COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
BDBM91767 Cc1[n-][o+]nc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCOCC1
BDBM91768 O=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc2OCCOc2c1
BDBM91769 [O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCOCC1
BDBM91770 CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1c[nH]c2ccccc12
BDBM91771 COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1
BDBM91793 COc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1
BDBM91794 [O-][N+](=O)c1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
BDBM91795 COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl
BDBM91796 CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1
BDBM91740 Clc1ccc(c(Cl)c1Cl)S(=O)(=O)NCc1ccccn1
BDBM91772 CSc1ccc(cc1)S(=O)(=O)NCc1ccccn1
BDBM91798 CCOc1ccc(cc1Cc1c(O)nc(N)[nH]c1=O)C(C)=O
BDBM91799 [O-][N+](=O)c1ccc(cc1)-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1
BDBM91800 COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
BDBM91801 Cn1c(COc2cccc3cccnc23)nnc1SCC(N)=O
BDBM91802 CN1CCN(CC1)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccccc1
BDBM91803 CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1
BDBM91804 COc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1
BDBM91805 Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
BDBM91806 NC(=O)c1ccc(NCCCN2CCOCC2)c(c1)[N+]([O-])=O
BDBM91807 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)nn(c1C)-c1ccccc1
BDBM91808 CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)n1C
BDBM91809 COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C
BDBM91810 COc1ccc(cc1)-n1c(SCC(N)=O)nnc1-c1cccs1
BDBM91811 CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1
BDBM91812 CN1CCN(CC1)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
BDBM91813 COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
BDBM91814 COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
BDBM91815 OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O
BDBM91816 COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
BDBM91817 COc1ccccc1NC(=O)CSc1nnc(-c2ccc(cc2)[N+]([O-])=O)n1-c1ccccc1
BDBM91818 COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1
BDBM91819 COC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
BDBM91820 Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
BDBM91821 CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1
BDBM91822 COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1Cl
BDBM91823 COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C
BDBM91773 Cn1nc(nc1Oc1ccccc1C(=O)N1CCOCC1)[N+]([O-])=O
BDBM91774 Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
BDBM91775 Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1
BDBM91776 COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
BDBM91777 Cc1[nH]c2ncnn2c(=O)c1NS(=O)(=O)c1ccc(Br)cc1
BDBM91778 Cc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)c1
BDBM91779 COc1cccc(OC)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:21.23|
BDBM91780 CC(=O)N=S([O-])(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
BDBM91781 C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:15.15|
BDBM91782 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8|
BDBM91783 CC(C)COC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.15|
BDBM91785 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
BDBM91786 COc1ccc(CC(NC(C)=O)c2ccc3cccnc3c2O)cc1OC
BDBM91784 COc1cccc(NC(=O)CSc2nnnn2C)c1
BDBM91787 Brc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
BDBM91792 [O-]C(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
BDBM91731 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1CNc1cnc2ccccc2c1
BDBM91732 [O-][N+](=O)c1cccc(c1)-c1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12
BDBM91788 CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
BDBM91789 COc1ccc(OCC(=O)Nc2cc(ccc2C)-c2nn3c(C)nnc3s2)cc1
BDBM91790 COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
BDBM91791 COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:28:27:22.23.24:30,28:23:29.27.26:30|
BDBM91735 COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl
BDBM91736 O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
BDBM91737 CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2C)c1
BDBM91738 COc1ccc(cc1)C(=O)C(C)Oc1cccc(NC(=O)c2cccc(c2)[N+](O)=O)c1
BDBM91739 COc1ccc2c(C)nc(Nc3nc(C)cc(=O)[nH]3)nc2c1
BDBM91764 COc1ccccc1NC(=O)CSc1nncn1C
BDBM91733 Clc1cc(Cl)c(cc1Cl)S(=O)(=O)NCc1ccccn1
BDBM91734 Cc1cc(C)c(cc1C)S(=O)(=O)NCc1ccccn1
BDBM91797 COc1ccc(NC(=O)CSc2nnnn2C)cc1
BDBM93225 Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
BDBM92564 COCc1cc(\N=N\c2cccc(c2)S(N)(=O)=O)c2ccccc2c1N
BDBM92565 Cc1ccc(\N=N\c2ccc(N)cc2C)c(c1)S(N)(=O)=O
BDBM92562 Oc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12
BDBM92563 Oc1ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c(=O)[nH]1 |w:6.6|
BDBM92568 Nc1cc(ccc1Nc1ccc(O)cc1)N(=O)=O
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM100885 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br)C(C)(C)O |r|
BDBM100918 CC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM100910 C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1Br |r|
BDBM100878 C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
BDBM50451553 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1 |wU:4.7,wD:1.0,(14.91,1.09,;14.91,-.45,;13.57,-1.22,;13.57,-2.76,;14.91,-3.53,;16.24,-2.76,;16.24,-1.22,;14.91,-5.07,;13.57,-5.84,;13.57,-7.38,;12.24,-8.15,;12.24,-9.69,;10.9,-10.46,;10.9,-12,;9.57,-12.77,;8.24,-12,;8.24,-10.46,;9.57,-9.69,;10.9,-7.38,;9.44,-7.85,;8.54,-6.61,;9.44,-5.36,;8.96,-3.9,;7.5,-3.42,;7.5,-1.88,;8.96,-1.41,;9.87,-2.65,;10.9,-5.84,;12.24,-5.07,)|
BDBM105234 Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
BDBM105235 Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1
BDBM105236 Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
BDBM105237 Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Cl)c2n1
BDBM105238 Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Cl)c2n1
BDBM105239 Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1
BDBM105240 CC(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1
BDBM105241 CC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1
BDBM105243 CN1CCN(CC1)c1cc(NCc2cccnc2)n2nccc2n1
BDBM105244 CN1CCN(CC1)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
BDBM47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM148244 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)C3CCNCC3)nc2n1C1CCCC1
BDBM107057 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM106950 CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106951 CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106952 CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106953 CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106954 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O |r|
BDBM106955 CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106956 CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106957 CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106958 CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106959 CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106960 CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106961 CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106962 CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM106963 C[C@@H](O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
BDBM106964 CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc12
BDBM106965 CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
BDBM123786 Nc1n[nH]c(N)c1\N=N\c1ccncc1
BDBM2558 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 |r|
BDBM2577 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 |r|
BDBM2670 C[C@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
BDBM2491 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O |r|
BDBM2522 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=O)=NC |r|
BDBM2537 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=O)=NC |r|
BDBM2559 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
BDBM2674 CCC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM100899 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1C |r|
BDBM100900 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C |r|
BDBM2449 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
BDBM2553 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
BDBM100887 C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
BDBM100894 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100882 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CC2CC2)ncc1Br)C(C)(C)O |r|
BDBM100907 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br |r|
BDBM100898 CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM50003643 COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC
BDBM50003642 COc1ccc(cc1O)C(C)N\C=C1/C(=O)NC(=O)c2ccc(Br)cc12
BDBM50003644 COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
BDBM50003645 Oc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
BDBM100904 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100895 CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
BDBM100916 CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
BDBM100908 CCOc1nc(Nc2ccc(cc2)S(=N)(=O)CC)ncc1Br
BDBM2450 C[C@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
BDBM2457 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
BDBM2556 COC[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@H](C)O |r|
BDBM2565 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100890 COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
BDBM100877 C[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
BDBM100909 C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(C)(=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
BDBM100896 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
BDBM2671 CC(C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM100902 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100913 CC(O)C(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM100883 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
BDBM100914 CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)O
BDBM100879 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1Br)C(C)(C)O |r|
BDBM100915 CC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
BDBM100901 CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100880 C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(=O)(CC2CC2)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
BDBM100876 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
BDBM100884 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CCCC2)ncc1Br)C(C)(C)O |r|
BDBM100903 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1 |r|
BDBM100892 CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
BDBM100912 CC(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM100886 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
BDBM2546 C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
BDBM100893 CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
BDBM100897 CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
BDBM100911 CCC(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
BDBM2554 COC[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@@H](C)O |r|
BDBM50042949 Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
BDBM50056163 CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM50088360 Oc1cc2cccc(O)c(=O)c2c(O)c1O
BDBM50086650 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(I)cc1)C2=O |t:9|
BDBM50086651 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(Br)cc1)C2=O |t:9|
BDBM50086652 COc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1 |t:7|
BDBM50086653 CCOc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1 |t:8|
BDBM50086654 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(O)cc1)C2=O |t:9|
BDBM50086655 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
BDBM50086656 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(F)cc1)C2=O |t:9|
BDBM50086657 Cc1nc2c(s1)C(=O)C=C(Nc1ccc(Cl)cc1)C2=O |t:9|
BDBM50086658 Cc1nc2c(s1)C(=O)C=C(Nc1ccccc1)C2=O |t:9|
BDBM50092528 Oc1ccc(cc1O)-c1oc2ccccc2c(=O)c1O
BDBM50099963 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50120508 CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc12
BDBM50126732 CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
BDBM50130710 CN1CCC(CC1)c1c(O)cc(O)c2c([O-])c([CH+]c3ccc(cc3)[N+]([O-])=O)oc12
BDBM50130711 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O
BDBM50130712 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O
BDBM50130719 Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCCC1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50133057 O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
BDBM50133058 O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
BDBM50133059 O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
BDBM50133064 O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50123455 CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
BDBM50123456 CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
BDBM50123457 CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
BDBM50140257 COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50027332 NS(=O)(=O)c1ccc(cc1)\N=N\c1c(O)[nH]c2cccc(I)c12
BDBM50145869 Oc1[nH]c2ccccc2c1N=Nc1ccccc1 |w:11.13|
BDBM50145922 NS(=O)(=O)c1ccc(cc1)N=Nc1c(O)[nH]c2cccc(I)c12 |w:10.10|
BDBM50145926 COc1ccc2[nH]c(O)c(N=Nc3ccccc3)c2c1 |w:11.11|
BDBM50145932 Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccccc1 |w:12.14|
BDBM60927 OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
BDBM50150697 Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11|
BDBM50150698 O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
BDBM50150699 Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11|
BDBM50150700 CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:12|
BDBM50150701 CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11|
BDBM50150702 O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|
BDBM50157547 Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
BDBM50157555 Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50166110 O=C1NC2C=CC=CC2C1=CNc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:10.12,c:4,6|
BDBM50164693 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
BDBM50168402 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
BDBM50168403 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
BDBM50168387 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
BDBM50168389 CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
BDBM50168392 CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F
BDBM50175102 NC1=NONC1N1NN=C(C1CN1CCCCC1)C(=O)NN=Cc1ccncc1 |w:21.23,c:9,t:1|
BDBM50175103 NC1=NONC1N1N=NC(C1CN1CCCCC1)c1nnc([nH]1)-c1ccncc1 |c:8,t:1|
BDBM50179207 COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
BDBM50181532 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50186373 C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
BDBM50186374 Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
BDBM50186375 CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
BDBM50186376 Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1
BDBM50186417 Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
BDBM50186418 COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
BDBM50186419 N[C@H](CO)C(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
BDBM50186420 CN1CCN(CCC(=O)NS(=O)(=O)c2ccc(Nc3nc(N)n(n3)C(=O)c3c(F)cccc3F)cc2)CC1
BDBM50186421 Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCN2CCOCC2)nn1C(=O)c1c(F)cccc1F
BDBM50186422 NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
BDBM50186423 CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
BDBM50186460 COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
BDBM50189603 Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
BDBM50189605 COc1ccc(cc1OC)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50188071 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50192076 Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1
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
BDBM50197834 COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
BDBM50197838 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O |r|
BDBM50197847 COc1ccc-2c(C[C@@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC
BDBM50200795 Cc1cc(-n2c(O)c[nH]c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(-9.96,5.1,;-8.62,4.33,;-8.63,2.79,;-7.29,2.02,;-7.29,.48,;-6.05,-.44,;-4.59,.03,;-6.53,-1.9,;-8.07,-1.9,;-8.54,-.43,;-10,.04,;-5.95,2.78,;-4.61,2.02,;-3.27,2.79,;-1.94,2.03,;-1.94,.49,;-.6,-.28,;.73,.5,;2.07,-.27,;.72,2.04,;2.05,2.82,;-.61,2.8,;-3.28,4.35,;-1.94,5.12,;-4.63,5.12,;-4.63,6.66,;-5.96,4.34,;-7.3,5.1,)|
BDBM50200796 Cc1cc(N2CCCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50200797 Cc1cc(N2C(=O)CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50200798 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C#N)c(O)c(=O)c2c1
BDBM50200799 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Cl)c3)c(O)c(=O)c2c1
BDBM50200800 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C(F)(F)F)c(O)c(=O)c2c1
BDBM50200801 Cc1cc(-n2c(O)cn(C)c2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(5.1,5.59,;6.43,4.82,;6.43,3.28,;7.76,2.51,;7.76,.97,;9.01,.05,;10.47,.52,;8.53,-1.41,;6.99,-1.41,;6.08,-2.65,;6.52,.06,;5.05,.53,;9.1,3.27,;10.44,2.5,;11.79,3.28,;13.12,2.52,;13.12,.98,;14.45,.21,;15.79,.98,;17.12,.22,;15.78,2.53,;17.11,3.31,;14.44,3.29,;11.78,4.84,;13.11,5.61,;10.43,5.61,;10.42,7.15,;9.1,4.83,;7.76,5.59,)|
BDBM50200802 Cc1cc(N2CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50200803 Cc1cc(-n2c(O)ccc2O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 |(4.85,-37.16,;6.18,-37.93,;6.18,-39.47,;7.51,-40.24,;7.51,-41.78,;8.75,-42.7,;10.22,-42.22,;8.28,-44.16,;6.74,-44.16,;6.26,-42.69,;4.8,-42.22,;8.85,-39.48,;10.19,-40.24,;11.54,-39.46,;12.87,-40.23,;12.87,-41.77,;14.2,-42.54,;15.54,-41.76,;16.87,-42.53,;15.53,-40.22,;16.86,-39.44,;14.19,-39.46,;11.53,-37.91,;12.86,-37.14,;10.18,-37.13,;10.17,-35.59,;8.84,-37.92,;7.51,-37.16,)|
BDBM50200804 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50200805 Cc1cc(N)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50200806 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1
BDBM50200807 CCN(CC)c1cc(C)cc2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50200808 CN1CCN(CC1)c1cc(C)cc2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50200809 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1
BDBM50200810 Cc1cc(N2CCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
BDBM50203122 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
BDBM50205472 O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
BDBM50205477 O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
BDBM50205468 NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
BDBM50211428 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
BDBM50211429 CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211430 CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211431 CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
BDBM50211432 CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211433 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
BDBM50211435 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
BDBM50211436 CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211437 CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
BDBM50211438 CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211439 CCNC(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211440 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
BDBM50211441 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
BDBM50211442 CC1CCN(CC1)NC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211443 CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211444 CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211446 CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211447 CNC(=O)CN1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211423 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
BDBM50211424 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211426 CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211427 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
BDBM50221346 COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
BDBM50223567 Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50229082 CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
BDBM50229083 Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN
BDBM50229085 C[C@@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
BDBM50229087 C[C@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
BDBM50229961 CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
BDBM50229962 COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
BDBM50229973 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM50229101 CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
BDBM50234144 CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
BDBM50235544 NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50237840 Cc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237841 Clc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237842 CCN(CC)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237843 O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237844 O=C(Cc1cccc2ccccc12)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237845 O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237846 CSc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237847 CS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237848 Brc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237849 O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCCC1=O
BDBM50237850 Cc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237851 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237852 [O-][N+](=O)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50237853 CN(C)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237854 Oc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237855 Fc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237856 O=C(Cc1ccc(cc1)-c1ccncc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237857 O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237858 Clc1ccccc1CC(=O)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
BDBM50237859 CCNc1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50237860 Nc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237861 Clc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237862 CCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50237863 Brc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237864 O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCC1=O
BDBM50237865 Fc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237866 CCCCN(CCCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50237867 Oc1c[nH]c(=O)n1-c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50237868 CCCN(CCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
BDBM50250137 COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|
BDBM50249356 Cc1csc(n1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50250271 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |r|
BDBM50250273 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |r|
BDBM50249284 Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(c2)C(F)(F)F)n1
BDBM50249286 OCCCOc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
BDBM50249318 Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50249540 C[C@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r|
BDBM50249416 Cc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
BDBM50265370 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1
BDBM50265371 Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1
BDBM50265033 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50265034 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50265035 Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
BDBM50265154 Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1
BDBM50265069 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1
BDBM50265259 Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1
BDBM50265287 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1
BDBM50264990 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1
BDBM50264755 Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1
BDBM50264756 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1
BDBM50258424 O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
BDBM50256750 Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
BDBM50258287 FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
BDBM50244430 Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
BDBM50243980 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
BDBM50241298 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,t:2,TLB:20:19:7.15.6:4|
BDBM50243930 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
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|
BDBM50243931 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
BDBM50263110 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)n1
BDBM50263112 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F
BDBM50263113 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50263146 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
BDBM50263147 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC(C2)NC(C)=O)ncc1F
BDBM50263148 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CC[C@H](C2)NC(C)=O)ncc1F |r|
BDBM50263149 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCC[C@H]2C(=O)N(C)C)ncc1F |r|
BDBM50262980 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N(C)C)n1
BDBM50262981 COc1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50263026 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(F)cc2)n1
BDBM50263028 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50263068 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1
BDBM50263070 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1
BDBM50263071 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)[C@H](C)O)n1 |r|
BDBM50263093 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
BDBM50261545 OCCn1cnc2c(NCc3ccccc3)nc(NCc3ccc(Br)cc3)nc12
BDBM50249258 Cc1ccc(C)c(Nc2nccc(n2)-c2nccs2)c1
BDBM50245865 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r|
BDBM50245866 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r|
BDBM50245910 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
BDBM50245911 CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
BDBM50245913 CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
BDBM50246357 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1
BDBM50246358 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)ncc1F
BDBM50246359 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)n1
BDBM50246360 CC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246361 CCC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246464 C[C@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246465 C[C@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246466 C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246467 C[C@@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246774 NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
BDBM50246775 O=C1N(CCCSC2=NCCN2)C(=O)C2=C1N1C(Cc3ccccc13)c1cccc3ccn2c13 |c:15,t:7|
BDBM50246776 CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
BDBM50248085 Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
BDBM50246730 NC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:10|
BDBM50246731 CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:12|
BDBM50246732 CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
BDBM50246253 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
BDBM50246254 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1
BDBM50246255 CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50246256 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1
BDBM50246297 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1
BDBM50246298 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
BDBM50246299 CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC)n1
BDBM50246300 CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC2CC2)cc1
BDBM50246301 CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
BDBM50246346 CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C3CC3)n2C(C)C)cc1
BDBM50246347 CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(COC)n2C(C)C)cc1
BDBM50246349 CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50246350 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
BDBM50246815 N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
BDBM50246397 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1
BDBM50246404 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F
BDBM50246405 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)n1
BDBM50246406 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
BDBM50246407 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1
BDBM50246408 CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r|
BDBM50246413 CC(C)C1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246414 CC1NCCCC1C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246415 CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50246416 CC1CNCC(C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
BDBM50247290 Fc1cc(CC(=O)Nc2cc(n[nH]2)C2CC2)ccc1-c1ccccc1
BDBM50247313 Cc1cc(CC(=O)Nc2cc(n[nH]2)C2CC2)ccc1-c1ccccc1
BDBM50247314 O=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(n[nH]1)C1CC1
BDBM50245864 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F
BDBM50246447 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
BDBM50246448 CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F
BDBM50267479 COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
BDBM50267480 CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
BDBM50267481 CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
BDBM50267482 CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9|
BDBM50267483 CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccccc3)c2c1 |w:14.14|
BDBM50267758 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4|
BDBM50267759 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4|
BDBM50267760 COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
BDBM50267770 Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:7.6|
BDBM50267813 Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:7.6|
BDBM50267814 Oc1cccc(CNC=C2C(=O)NC(=O)c3ccccc23)c1 |w:8.7|
BDBM50267815 COc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:8.7|
BDBM50267817 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(F)cc23)cc1O |w:8.7|
BDBM50267818 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Cl)cc23)cc1O |w:8.7|
BDBM50267863 COc1ccc(CNC=C2C(=O)NC(=O)c3cccc(Br)c23)cc1O |w:8.7|
BDBM50267864 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:8.7|
BDBM50267865 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
BDBM50267866 COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12|
BDBM50267867 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7|
BDBM50267898 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7|
BDBM50267899 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7|
BDBM50267900 COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7|
BDBM50267902 COc1ccc(CN(C)\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
BDBM50270579 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
BDBM50267351 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccn1 |w:6.5|
BDBM50267521 COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(I)c(F)cc12 |t:13|
BDBM50267523 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
BDBM50267538 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ncc1-c1ccoc1 |w:6.5|
BDBM50267539 CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccoc3)c2c1 |w:14.14|
BDBM50267540 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5|
BDBM50267541 COc1cc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)ccn1 |w:7.6|
BDBM50267542 COc1coc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1=O |w:8.7|
BDBM50267565 COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
BDBM50267579 Brc1ccc2C(=O)NC(=O)C(=CNCc3cc[nH]c(=O)c3)c2c1 |w:11.11|
BDBM50267580 Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11|
BDBM50267581 Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11|
BDBM50267398 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5|
BDBM50267399 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5|
BDBM50267400 CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
BDBM50267401 COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:8.7|
BDBM50267402 CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9|
BDBM50267606 COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Br)cc12 |t:13|
BDBM50267607 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
BDBM50267935 CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:10.9|
BDBM50267937 CCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:9.8|
BDBM50267642 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(Cl)ccc12 |t:4|
BDBM50266465 N[C@@H](CCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:6.6|
BDBM50267251 Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:7.6|
BDBM50267252 Cc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:7.6|
BDBM50267253 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccc1 |w:6.5|
BDBM50267254 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccco1 |w:6.5|
BDBM50267255 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
BDBM50270519 C[C@H]1CN(C[C@@H](C)N1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
BDBM50270520 CC1CN(CCN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.13|
BDBM50270521 C[C@@H]1CN([C@@H](C)CN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
BDBM50270522 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nc1 |w:12.12|
BDBM50267461 Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4|
BDBM50267676 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(I)ccc12 |t:4|
BDBM50267679 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(ccc12)C1CC1 |t:4|
BDBM50280450 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM50279080 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
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,)|
BDBM50276015 Cc1cc(C)cc(Nc2nccc(n2)-c2nccs2)c1
BDBM50276063 Cc1cccc(Nc2nccc(n2)-c2nccs2)c1
BDBM50293147 FC(F)(F)CNc1nccc(n1)-c1cnn2ncccc12
BDBM50293148 Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM50293150 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
BDBM50293151 CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM50293152 [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM50293153 [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM50293154 N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM50293155 N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12
BDBM50293156 NC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM50293157 OC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM50293158 CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
BDBM50293159 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccc(F)cc2)cc1
BDBM50293160 CC(C)Oc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
BDBM50293161 CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)N2CCOCC2)cc1
BDBM50293181 CC(C)(C)c1cnc(CSc2cnc(N)s2)o1
BDBM50293182 CC(C)(C)c1cnc(CSc2cnc(NCC3CCNCC3)s2)o1
BDBM50293166 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
BDBM50293162 C1CC1Nc1nccc(n1)-c1cnn2ncccc12
BDBM50293173 CC(C)(C)c1cnc(CSc2cnc(NCC3CCCCC3)s2)o1
BDBM50293174 CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)|
BDBM50293175 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wD:15.14,18.18,(-8.74,-18,;-7.24,-18.41,;-6.8,-16.94,;-7.67,-19.89,;-5.77,-18.89,;-5.3,-20.35,;-3.76,-20.35,;-3.28,-18.89,;-1.81,-18.41,;-.67,-19.45,;.8,-18.97,;2.04,-19.88,;3.29,-18.98,;2.81,-17.51,;3.72,-16.26,;5.26,-16.26,;6.01,-14.93,;7.55,-14.93,;8.32,-16.26,;9.87,-16.26,;7.55,-17.59,;6.03,-17.59,;1.27,-17.51,;-4.53,-17.98,)|
BDBM50293176 CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)|
BDBM50293177 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(N)C3)s2)o1
BDBM50293178 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(O)C3)s2)o1
BDBM50293179 CC(C)(C)c1cnc(CSc2cnc(NC3CCCCC3)s2)o1
BDBM50293180 CC(C)(C)c1cnc(CSc2cnc(NC3CCNCC3)s2)o1
BDBM50273038 Fc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273039 Fc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273040 Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273041 Cc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273042 Cc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272798 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
BDBM50272799 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(C)cc1
BDBM50272800 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)C(C)(C)C
BDBM50270732 O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:12.14|
BDBM50270733 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3cc(Br)ccc23)cc1 |w:12.12|
BDBM50270734 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1 |w:12.12|
BDBM50270735 CN1CC2CC1CN2c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.14,THB:0:1:7.6:4|
BDBM50270736 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)[N+]([O-])=O)cc1 |w:12.12|
BDBM50270773 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:12.12|
BDBM50270774 CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(cc3)N3CCN(C)CC3)c2c1 |w:15.15|
BDBM50270775 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1 |w:12.12|
BDBM50270776 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(NC(C)=O)cc23)cc1 |w:12.12|
BDBM50270878 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)N2CCCCC2)cc1 |w:12.12|
BDBM50270879 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1 |w:12.12|
BDBM50270880 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccco2)cc1 |w:12.12|
BDBM50270881 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:12.12|
BDBM50272123 O=C(Nc1[nH][nH]c2cccc12)C1CC1
BDBM50273072 COc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273073 COc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273074 Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273075 Fc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273076 Fc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50271086 COc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:12.12|
BDBM50271087 Clc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
BDBM50271088 [O-][N+](=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:13.13|
BDBM50271089 Ic1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
BDBM50271114 CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:15.15|
BDBM50271115 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-n1cccc1 |w:12.14|
BDBM50271116 CC(=O)Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:14.14|
BDBM50271117 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCCCC1 |w:12.14|
BDBM50271267 COc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
BDBM50271268 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccc(Oc2ccccc2)cc1 |w:12.14|
BDBM50271269 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)C#N |w:12.14|
BDBM50271270 C[C@H]1CN(C[C@@H](C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:13.13|
BDBM50273105 Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273106 Cc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273107 Cc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273108 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50273109 COc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50270642 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nn1 |w:12.12|
BDBM50270643 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12|
BDBM50270644 CN1CCN(CC1)c1ncc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
BDBM50270645 CN1CCN(CC1)c1cnc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
BDBM50272915 COc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50272916 COc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50272917 COc1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50273141 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccncc1
BDBM50273142 O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1cccnc1
BDBM50273143 O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1ccncc1
BDBM50273144 O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1cccnc1
BDBM50271036 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1 |w:12.12|
BDBM50271037 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccc(C=O)cc2)cc1 |w:12.12|
BDBM50271039 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)C#Cc2ccccc2)cc1 |w:12.12|
BDBM50271144 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCOCC1 |w:12.14|
BDBM50271145 CN1CCN(CC1)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
BDBM50271146 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccccc1 |w:12.14|
BDBM50272918 Fc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50272919 Cc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50270700 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:12.12|
BDBM50270701 O=C1NC(=O)c2ccccc2C1=CNc1ccc(cc1)N1CCOCC1 |w:12.14|
BDBM50270702 O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCOCC2)cc1 |w:12.14|
BDBM50271199 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1cccnc1 |w:12.14|
BDBM50271200 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccsc1 |w:12.14|
BDBM50271201 Fc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
BDBM50271234 Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
BDBM50271235 Oc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
BDBM50271236 Oc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
BDBM50271237 COc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
BDBM50272834 COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)CCc1c[nH]c2ccccc12
BDBM50272835 CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
BDBM50272836 O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
BDBM50272995 Fc1ccc(cc1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272996 Fc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272997 Fc1ccccc1-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272998 Cc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272999 Fc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
BDBM50272837 Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
BDBM50272838 Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
BDBM50272870 CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
BDBM50272871 COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
BDBM50272872 O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1ccccc1
BDBM50272873 Fc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50272874 CC(C)(C)c1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
BDBM50023867 Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12|
BDBM50274661 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM50274662 CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM50274663 CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM50274664 COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM50277583 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50276016 COc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
BDBM50276017 Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
BDBM50276018 COc1cc(Nc2nccc(n2)-c2nccs2)cc(OC)c1
BDBM50275499 Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
BDBM50274743 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1
BDBM50274744 CN(C)CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM50274745 CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
BDBM50274746 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1
BDBM50276064 Cc1cnc(s1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50276065 Cc1cc(C)cc(Nc2nccc(n2)-c2nc(CO)cs2)c1
BDBM50274805 COCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50274806 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1
BDBM50274807 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN(C)C)n1
BDBM50274808 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1
BDBM50275665 COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC
BDBM50275355 COc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
BDBM50275356 OCc1csc(n1)-c1ccnc(Nc2cc(O)cc(c2)C(F)(F)F)n1
BDBM50275357 COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
BDBM50275358 Cc1cc(Nc2nccc(n2)-c2nc(CO)cs2)cc(c1)C(F)(F)F
BDBM50274698 CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1
BDBM50274699 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC(C)C)cc1
BDBM50274700 COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CC2)cc1
BDBM50274625 CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
BDBM50274626 Cc1ncc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)n1C
BDBM50275934 Cc1cc(C)cc(Nc2nccc(n2)-c2ncc(CO)s2)c1
BDBM50275935 C[C@@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r|
BDBM50295602 Cc1nnc2sc(nn12)-c1ccc(N)cc1
BDBM50295603 Nc1ccc(cc1)-c1nn2c(Cc3ccccc3)nnc2s1
BDBM50295604 Nc1nc(O)c(Cc2nn3c(Cc4ccccc4)nnc3s2)s1
BDBM50295605 CCSc1nn2c(C)nnc2s1
BDBM50295606 CCSc1nn2c(Cc3ccccc3)nnc2s1
BDBM50295607 Clc1ccc(OCc2nnc3sc(SCc4ccccc4)nn23)cc1
BDBM50295608 NNc1nn2c(Cc3ccccc3)nnc2s1
BDBM50295609 C(Sc1nn2c(Cc3ccccc3)nnc2s1)c1ccccc1
BDBM50295610 Cc1nnc2sc(Cc3[nH]nc4[nH]c(=S)[nH]c(=S)c34)nn12
BDBM50295601 Clc1ccc(OCc2nnc3sc(Cc4[nH]nc5[nH]c(=S)[nH]c(=S)c45)nn23)cc1
BDBM50295611 Cc1nnc2sc(SCc3ccccc3)nn12
BDBM50295612 CCSc1nn2c(COc3ccc(Cl)cc3)nnc2s1
BDBM50295613 Sc1nn2c(COc3ccc(Cl)cc3)nnc2s1
BDBM50295614 Nc1ccc(cc1)-c1nn2c(COc3ccc(Cl)cc3)nnc2s1
BDBM50295615 Cc1nnc2sc(Cc3sc(N)nc3O)nn12
BDBM50295616 Nc1nc(O)c(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1
BDBM50295617 Sc1nn2c(Cc3ccccc3)nnc2s1
BDBM50295618 S=c1[nH]c2n[nH]c(Cc3nn4c(Cc5ccccc5)nnc4s3)c2c(=S)[nH]1
BDBM50295622 C(c1nnc2sc(SSc3nn4c(Cc5ccccc5)nnc4s3)nn12)c1ccccc1
BDBM50295623 Clc1ccc(OCc2nnc3sc(SSc4nn5c(COc6ccc(Cl)cc6)nnc5s4)nn23)cc1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50303041 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1 |r|
BDBM50303042 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1 |r|
BDBM50303043 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1 |r|
BDBM50303044 C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r|
BDBM50295619 Cc1nnc2sc(SSc3nn4c(C)nnc4s3)nn12
BDBM50295620 Cc1nnc2sc(NN)nn12
BDBM50295621 Cc1nnc2sc(S)nn12
BDBM50297260 C(Cn1ccc2ccccc12)Cn1ccc2ccccc12
BDBM50297261 C(CCn1ccc2ccccc12)Cn1ccc2ccccc12
BDBM50297262 C(CCn1ccc2ccccc12)CCn1ccc2ccccc12
BDBM50297263 C(CCCn1ccc2ccccc12)CCn1ccc2ccccc12
BDBM50297264 Fc1ccc2n(CCc3c[nH]c4ccc(F)cc34)ccc2c1
BDBM50297265 O=C(N1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12
BDBM50297266 Fc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
BDBM50297267 Clc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
BDBM50297268 Cc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc34)c2c1
BDBM50297269 Fc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50297270 Clc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50297271 Cc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50297272 Fc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(F)cc12
BDBM50297273 Clc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(Cl)cc12
BDBM50297274 Cc1ccc2N(CCc2c1)C(=O)C(=O)c1c[nH]c2ccc(C)cc12
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50297455 Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
BDBM50298225 CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
BDBM50297276 Fc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
BDBM50297277 Clc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
BDBM50297278 Cc1ccc2[nH]cc(CCn3ccc4ccccc34)c2c1
BDBM50297279 Fc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
BDBM50297280 Clc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
BDBM50297281 Cc1ccc2n(CCc3c[nH]c4ccccc34)ccc2c1
BDBM50297282 Clc1ccc2n(CCc3c[nH]c4ccc(Cl)cc34)ccc2c1
BDBM50297283 Cc1ccc2n(CCc3c[nH]c4ccc(C)cc34)ccc2c1
BDBM50295600 NNc1nn2c(COc3ccc(Cl)cc3)nnc2s1
BDBM50310357 O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2|
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
BDBM50310343 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2cc[nH]c2c1
BDBM50312057 CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM50306677 C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306683 C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306684 C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306854 OC(=O)c1cc2OCOc2c2c3ccccc3cc([N+]([O-])=O)c12
BDBM50306855 COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
BDBM50306856 COc1cccc2c1c(OC)c([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
BDBM50306857 COc1cc(OC)c2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
BDBM50306858 OC(=O)c1cc2OCOc2c2c3cc(O)ccc3cc([N+]([O-])=O)c12
BDBM50306859 COc1c(O)ccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
BDBM50306860 COc1cc(O)cc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
BDBM50306861 OC(=O)c1cc2OCOc2c2c3cccc(O)c3cc([N+]([O-])=O)c12
BDBM50306862 COc1ccc2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
BDBM50306863 OC(=O)c1cc(O)c(O)c2c1c(cc1ccccc21)[N+]([O-])=O
BDBM50306864 OC(=O)c1cc(O)c(O)c2c1c(c(Cl)c1ccccc21)[N+]([O-])=O
BDBM50306865 COc1cccc2c1cc([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
BDBM50306866 OC(=O)c1cc(O)c(O)c2c1c(cc1c(O)cccc21)[N+]([O-])=O
BDBM50306867 COc1cccc2c1c(Cl)c([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
BDBM50306868 O=C1Nc2cc3ccccc3c3c4OCOc4cc1c23
BDBM50306869 COc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50306870 COc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1OC
BDBM50306871 COc1cc(OC)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
BDBM50306872 COc1c(O)ccc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50306873 COc1cc(O)cc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50306874 Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50306875 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1O
BDBM50306876 Oc1cc(O)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
BDBM50306877 Oc1ccc2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
BDBM50306878 COc1cccc2c1cc1N(C)C(=O)c3cc4OCOc4c2c13
BDBM50306879 CN1C(=O)c2cc3OCOc3c3c2c1cc1c(O)cccc31
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50306882 COc1cccc2c1cc1NC(=O)c3cc(O)c(O)c2c13
BDBM50306884 COc1cccc2c1c(Cl)c1NC(=O)c3cc(O)c(O)c2c13
BDBM50306885 COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34 |r|
BDBM50306886 CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |r|
BDBM50306887 COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13 |r|
BDBM50306911 OC[C@H]1O[C@@H](Oc2cccc3c2cc2NC(=O)c4cc5OCOc5c3c24)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50297259 C(Cn1ccc2ccccc12)n1ccc2ccccc12
BDBM50297275 C(Cn1ccc2ccccc12)c1c[nH]c2ccccc12
BDBM50297284 C(CN1CCc2ccccc12)N1CCc2ccccc12
BDBM50300026 COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50300027 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50306880 Oc1cc2C(=O)Nc3cc4ccccc4c(c1O)c23
BDBM50306881 Oc1cc2C(=O)Nc3c(Cl)c4ccccc4c(c1O)c23
BDBM50306883 Oc1cc2C(=O)Nc3cc4c(O)cccc4c(c1O)c23
BDBM50306888 COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
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
BDBM50314344 Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
BDBM50319615 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
BDBM50319616 CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
BDBM50319617 CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319618 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319619 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50319620 CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
BDBM50319621 CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
BDBM50319622 CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
BDBM50319623 COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
BDBM50319624 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
BDBM50319625 CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM50319626 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
BDBM50319627 CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM50321578 NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50321579 NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50321580 NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50321581 CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(=O)NCc2ccnc(C)c2)cc1
BDBM50321582 CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1
BDBM50321461 Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326169 [#6]-[#8]-[#6](=O)[C@@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
BDBM50326206 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)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|
BDBM50325368 Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|
BDBM50325369 CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
BDBM50325372 CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12
BDBM50325373 Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl
BDBM50325374 Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|
BDBM50325375 O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|
BDBM50313661 CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
BDBM50314074 CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1
BDBM50313696 CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
BDBM50313697 CCCC(=O)Nc1n[nH]c2c(Cl)c(Cl)c(cc12)-c1ccccc1
BDBM50312922 N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312923 N[C@H](CNc1cnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312924 N[C@H](CNc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312925 N[C@H](CCc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312926 N[C@H](CCc1nc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312927 N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50312990 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|
BDBM50313050 COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
BDBM50313051 COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
BDBM50313061 COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
BDBM50312929 Cn1nc(N)c2ccc(cc12)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
BDBM50312930 N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312932 N[C@H](CNc1ncc(s1)-c1ccc2nnn(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312933 N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312934 N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)oc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312935 N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312936 Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
BDBM50312937 N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312938 N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c(=O)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312939 N[C@H](CNc1ncc(s1)-c1ccc(cc1)C(N)=O)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312940 N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312941 N[C@H](CNc1nnc(o1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312942 N[C@H](CNc1ncc(s1)-c1ccc2cnc(N)cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312943 N[C@H](CNc1ncc(s1)-c1ccc2cncnc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312944 N[C@H](CNc1ncc(s1)-c1ccc2nnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312744 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(c2)C(F)(F)F)s1 |r|
BDBM50312745 N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(C3CC3)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312746 N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(-c3ccccc3)c2c1)Cc1cccc(c1)C(F)(F)F |r|
BDBM50312748 N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(F)cc1 |r|
BDBM50312749 N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1 |r|
BDBM50312750 N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312751 N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1Cl |r|
BDBM50312752 N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50312753 Cc1cc2cc(ccc2cn1)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
BDBM50312754 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
BDBM50312755 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1 |r|
BDBM50312756 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2Cl)s1 |r|
BDBM50312757 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(F)c(F)c2)s1 |r|
BDBM50312759 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2)s1 |r|
BDBM50312761 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2F)s1 |r|
BDBM50312762 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2Cl)s1 |r|
BDBM50312763 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2C(F)(F)F)s1 |r|
BDBM50312765 Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(Cl)c2)s1 |r|
BDBM50339006 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
BDBM50340121 COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
BDBM50340143 C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50334268 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM50332489 Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332490 ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332491 ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332492 ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332493 ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332494 ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50332483 ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332484 Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332485 Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332486 Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332487 Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332488 Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50331277 COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
BDBM50331283 COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
BDBM50340902 Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
BDBM50329197 C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
BDBM50329198 CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
BDBM50335188 Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50352813 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCCNC1
BDBM50352814 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNC1
BDBM50352815 Clc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnccc2c1)C1CNC1 |r|
BDBM50352816 Clc1ccc(cc1Cl)[C@@H](NC(=O)c1ccc2cnccc2c1)C1CNC1 |r|
BDBM50352817 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCCCC1
BDBM50352818 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)c1cncnc1
BDBM50352819 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)c1ccncc1
BDBM50352820 CC(C)CN1CCC(CC1)[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50352821 Clc1ccc(cc1Cl)[C@H](NC(=O)c1ccc2cnccc2c1)C1CCN(Cc2ccccc2)CC1 |r|
BDBM50352822 FC(F)(F)c1ccc(CN2CCC(CC2)[C@@H](NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)c(Cl)c2)cc1 |r|
BDBM50352823 CN1CC(C1)[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50352824 N[C@H](CNc1nnc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50352825 N[C@H](CNC(=O)c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50352826 O=C(NC(C1CCNCC1)c1ccccc1)c1ccc2cnccc2c1
BDBM50352827 O=C(NC(C1CCNCC1)c1ccc2ccccc2c1)c1ccc2cnccc2c1
BDBM50352828 O=C(NC(C1CCNCC1)c1nccs1)c1ccc2cnccc2c1
BDBM50352829 COc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352830 Fc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352831 Clc1ccc(cc1-c1ccccc1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352832 Clc1ccc(cc1C#N)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352833 Clc1cccc(c1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352834 Clc1ccc(cc1)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352835 Fc1cc(ccc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352836 Clc1cccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)c1Cl
BDBM50352837 Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352838 Clc1cc(cnc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1
BDBM50352839 Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50346243 Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccnc1 |c:10|
BDBM50358210 CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
BDBM50358211 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
BDBM50358212 CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
BDBM50358213 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM50358221 CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
BDBM50358222 CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
BDBM50358223 CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
BDBM50358235 CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
BDBM50358236 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
BDBM50358237 CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
BDBM50348233 Nc1nccc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348234 Nc1nc(NC2CCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348235 Cc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348236 Nc1nc(NC2CCCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348237 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCC1 |r|
BDBM50348238 CCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348239 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCCC1 |r|
BDBM50348240 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCC1 |r|
BDBM50348241 CC(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348242 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCNCC1 |r|
BDBM50348243 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCNC1 |r|
BDBM50348244 CN(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348245 CCCCCCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348246 CN1CCN(CC1)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348247 Nc1nc(NCCN2CCOCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
BDBM50348249 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)N1CCOCC1 |r|
BDBM50348251 Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)CC1
BDBM50348252 Nc1nccc(n1)-c1cc(ccc1O)N1CCS(=O)(=O)CC1
BDBM50348253 CCC1CCN(CC1)c1ccc(O)c(c1)-c1ccnc(N)n1
BDBM50348255 Nc1nccc(n1)-c1cc(ccc1O)N1CCC(=O)CC1
BDBM50348256 Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CC1 |r|
BDBM50348880 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
BDBM50348621 CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
BDBM50347388 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
BDBM50347389 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
BDBM50347924 CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
BDBM50360580 CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3|
BDBM50360581 CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3|
BDBM50360582 Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
BDBM50360583 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12
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|
BDBM50363196 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
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
BDBM50349770 CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
BDBM50349771 COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349772 COc1cc(ccc1Nc1ncc(F)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349773 COc1cc(ccc1Nc1ncc(Br)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349774 COc1cc(ccc1Nc1ncc(C)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349775 COc1cc(ccc1Nc1ncc(c(n1)-c1cnc2ccccn12)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM50349776 COc1cc(ccc1Nc1ncc(OC)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349777 COc1cc(ccc1Nc1ncc(C#N)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50349687 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
BDBM50348248 Nc1nccc(n1)-c1cc(ccc1O)N1CCOCC1
BDBM50348250 Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)C1
BDBM50348254 Nc1nccc(n1)-c1cc(ccc1O)N1CCCCC1
BDBM50364832 COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
BDBM50364833 COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
BDBM50374168 NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2CCCc12
BDBM50374169 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(OCCc4ccncc4)c23)cc1 |w:9.8|
BDBM50374170 Cc1cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.4|
BDBM50374174 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:19.18,9.8|
BDBM7262 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM50376226 Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
BDBM50375300 COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
BDBM50382799 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
BDBM50382800 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12
BDBM50382801 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
BDBM50382802 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
BDBM50382803 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
BDBM50382804 COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382805 Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382806 O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1
BDBM50382807 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382808 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382809 CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1
BDBM50382810 COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
BDBM50365426 COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50365218 CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
BDBM50378615 COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O |r,c:23,t:2|
BDBM50378657 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
BDBM50378552 Nc1nc(N)c(N=O)c(=O)[nH]1
BDBM50378821 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCc2ccccc2)c1N=O
BDBM50378822 Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
BDBM50378823 CN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(c2)-c2cnc3ccccn23)cc1
BDBM50378824 CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
BDBM50378825 NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(=O)(=O)NCCOCCO)c2c1 |w:11.11|
BDBM50378831 CC(C)(C)Nc1nc(nc2ccc(Nc3ccccc3)cc12)C(F)(F)F
BDBM50378818 C1c2ccccc2-c2[nH]nc(c12)-c1ccncc1
BDBM50378819 Cc1ccc(F)c(Nc2nccc(n2)-c2ccc(cc2)S(N)(=O)=O)c1
BDBM50378820 CCCCOc1c(ccc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
BDBM50379337 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50379339 Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
BDBM50379350 COc1ccc(cc1)-c1nc2ncc(Br)c(NCC3CCNCC3)c2[nH]1
BDBM50379351 COc1ccc(cc1)-c1nc2ncc(Br)c(OCC3CCNCC3)c2[nH]1
BDBM50379352 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(C)=O)c2[nH]1
BDBM50379353 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)C)c2[nH]1
BDBM50379354 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)(C)C)c2[nH]1
BDBM50379355 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC3)c2[nH]1
BDBM50379356 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1
BDBM50379357 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
BDBM50379358 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1
BDBM50379359 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC(O)C3)c2[nH]1 |(36.6,-30.43,;35.82,-29.1,;34.28,-29.11,;33.52,-30.45,;31.98,-30.46,;31.2,-29.13,;31.96,-27.8,;33.49,-27.78,;29.66,-29.14,;28.76,-30.39,;27.29,-29.92,;25.95,-30.7,;24.62,-29.93,;24.62,-28.39,;23.29,-27.62,;25.95,-27.62,;25.95,-26.08,;27.28,-25.3,;27.27,-23.76,;28.61,-23,;28.61,-21.46,;29.95,-20.69,;31.28,-21.46,;29.95,-19.15,;31.04,-18.07,;29.95,-16.98,;29.96,-15.44,;28.86,-18.06,;27.29,-28.38,;28.75,-27.9,)|
BDBM50379360 COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3ccccc3)c2[nH]1
BDBM50379363 Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
BDBM50379364 NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
BDBM50379365 COc1ccc(cc1)-c1nc2ncc(C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50379366 COc1ccccc1-c1nc2ncc(Br)c(NCC(O)CNC(=O)C3CCC3)c2[nH]1
BDBM50379367 COc1ccc(F)cc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
BDBM50379368 COc1cc(F)ccc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
BDBM50370316 Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1[N+]([O-])=O |w:4.4|
BDBM50370317 Cc1cc(Cl)cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.7|
BDBM50370319 Cc1cccc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.6|
BDBM50370320 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 |w:9.8|
BDBM50370321 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)[N+]([O-])=O)cc1 |w:9.8|
BDBM50384600 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
BDBM50384864 CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50384865 C1OCc2cccc(Nc3nccc(n3)-c3cncc(COC\C=C\1)c3)c2 |t:24|
BDBM50384866 CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50384867 C1OCc2ccc(o2)-c2ccnc(Nc3cccc(COC\C=C\1)c3)n2 |t:23|
BDBM50384868 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc4ccn(C\C=C\COCc1c2)c4c3 |t:29|
BDBM50384869 Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\Cn4ccc5ccc(cc45)-c1n2)c3 |t:23|
BDBM50384870 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cncc(COC\C=C\COCc1c2)c3 |t:29|
BDBM50384871 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3 |t:29|
BDBM50384872 Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\CCOc4cc(ccn4)-c1n2)c3 |t:23|
BDBM50384873 CN1C\C=C\COCc2ccc(o2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
BDBM50384874 CN1C\C=C\COCc2ccc(s2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
BDBM50384875 COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3 |t:24|
BDBM50384876 COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24|
BDBM50384877 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28|
BDBM50384878 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3 |t:28|
BDBM50384879 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
BDBM50384880 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3coc(COC\C=C\COCc1c2)c3 |t:28|
BDBM50384881 C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cc(COC\C=C\COCc1c2)co3 |t:27|
BDBM50384882 CN1C\C=C\CCOc2cc(ccn2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50384883 CN1C\C=C\COCC2CCCN(C2)c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50384884 CN1C\C=C\CCn2ccc3ccc(cc23)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50384885 C1OCc2cccc(Nc3nccc(n3)-c3ccc4ccn(C\C=C\1)c4c3)c2 |t:24|
BDBM50388776 CC(=O)Nc1ccc2[nH]cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50388781 CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50388782 CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50388783 CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50388784 CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
BDBM50388785 CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50388786 CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
BDBM50387330 CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
BDBM50389121 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50389111 CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
BDBM50389113 CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50389116 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50389117 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50394164 CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1
BDBM50394165 CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1Cl
BDBM50394166 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
BDBM50394170 Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
BDBM50394173 Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
BDBM50394174 CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C
BDBM50394175 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
BDBM50394176 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1
BDBM50394177 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1
BDBM50394178 NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
BDBM50394179 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
BDBM50394180 NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1
BDBM50394181 NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCCCC2)c1
BDBM50394182 NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1
BDBM50394183 NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1
BDBM50394185 CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1
BDBM50394186 CCN(CC)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
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|
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,)|
BDBM50385914 C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
BDBM50385915 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
BDBM50385916 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
BDBM50385919 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50401285 CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50400802 Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2
BDBM50400803 Brc1cnc(Nc2ccccc2)nc1NCC#N
BDBM50413752 COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50401899 Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
BDBM50401900 O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
BDBM50415620 COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
BDBM50415616 COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
BDBM50411406 O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
BDBM50426473 Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14|
BDBM50426474 COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13|
BDBM50418986 CS(=O)(=O)Nc1cccc(c1)-c1c[nH]c(=O)c2cc(sc12)-c1ccnc2[nH]ccc12
BDBM50418987 O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1
BDBM50418988 Cn1cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc2c1=O)-c1ccncc1
BDBM50418989 Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N
BDBM50418990 O=c1[nH]cc(-c2ccc3OCCOc3c2)c2sc(cc12)-c1ccncc1
BDBM50418991 O=c1[nH]cc(-c2cccc(CC#N)c2)c2sc(cc12)-c1ccncc1
BDBM50418992 Clc1cccc(n1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
BDBM50418993 CCOc1ccc(cn1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
BDBM50418994 COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
BDBM50418995 CN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
BDBM50418996 O=c1[nH]cc(-c2cccc3cccnc23)c2sc(cc12)-c1ccncc1
BDBM50418997 COc1ncc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1
BDBM50418998 O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1
BDBM50418999 COCc1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
BDBM50419000 O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1
BDBM50432335 Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnc(Cl)cc12
BDBM50432336 Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnccc12
BDBM50432334 Nc1cc(ncn1)-n1ccc2ccc(nc12)C#N
BDBM50432337 Nc1nccc(n1)-n1ccc2cccnc12
BDBM50432338 Nc1nccc(n1)-n1ccc2ccccc12
BDBM50432339 Nc1cc(ccn1)-n1ccc2ccc(cc12)C#N
BDBM50432340 Nc1nccc(n1)-n1ccc2cnc(Cl)cc12
BDBM50432341 Nc1nccc(n1)-n1cc(-c2ccc(Cl)cc2)c2cnccc12
BDBM50432342 Nc1nccc(n1)-n1cc(-c2cccc(Cl)c2)c2cnccc12
BDBM50432343 Nc1nccc(n1)-n1cc(-c2ccccc2Cl)c2cnccc12
BDBM50432344 Nc1nccc(n1)-n1cc(C2=CCOCC2)c2cnccc12 |t:11|
BDBM50432345 Nc1nccc(n1)-n1cc(-c2ccoc2)c2cnccc12
BDBM50432346 Nc1nccc(n1)-n1cc(-c2cc[nH]n2)c2cnccc12
BDBM50432347 Nc1nccc(n1)-n1cc(-c2ccncc2)c2cnccc12
BDBM50432348 Nc1nccc(n1)-n1cc(-c2cccnc2)c2cnccc12
BDBM50432349 Nc1nccc(n1)-n1cc(-c2ccccc2)c2cnccc12
BDBM50432350 Nc1nccc(n1)-n1ccc2ncc(cc12)C#N
BDBM50432351 Nc1nccc(n1)-n1ccc2cnc(cc12)C#N
BDBM50432352 Nc1nccc(n1)-n1ccc2ncccc12
BDBM50432353 Nc1nccc(n1)-n1ccc2cnccc12
BDBM50432354 Nc1nccc(n1)-n1ccc2ccncc12
BDBM50432355 Nc1nccc(n1)-n1ccc2cc(ccc12)C#N
BDBM50432356 Nc1nccc(n1)-n1ccc2ccc(cc12)C#C
BDBM50432357 Nc1nccc(n1)-n1ccc2ccc(O)cc12
BDBM50432358 Nc1nccc(n1)-n1ccc2ccc(cc12)C(F)(F)F
BDBM50432359 Nc1nccc(n1)-n1ccc2ccc(cc12)[N+]([O-])=O
BDBM50432360 Nc1nccc(n1)-n1ccc2ccc(F)cc12
BDBM50432361 N#Cc1ccc2ccn(-c3ccncn3)c2c1
BDBM50432362 Nc1ccnc(n1)-n1ccc2ccc(cc12)C#N
BDBM50432363 Nc1cc(ncn1)-n1ccc2ccc(cc12)C#N
BDBM50432364 Nc1cccc(n1)-n1ccc2ccc(cc12)C#N
BDBM50432365 CNc1nccc(n1)-n1ccc2ccc(cc12)C#N
BDBM50429477 FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
BDBM50429634 Nc1nccc(n1)-n1ccc2ccc(cc12)C#N
BDBM50429635 Nc1nccc(n1)-n1ccc2ccc(Br)cc12
BDBM50429636 Nc1nccc(n1)-n1ccc2ccc(Cl)cc12
BDBM50434353 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
BDBM50443366 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
BDBM50448977 COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448978 COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448979 COc1ccc(cc1)-c1nc2ncc(-c3csc(c3)C(O)=O)c(OCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448980 COc1ccc(cc1)-c1nc2ncc(Br)c(OCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448981 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C
BDBM50448982 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C
BDBM50448984 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C
BDBM50448985 CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1
BDBM50448986 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO
BDBM50448987 COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1
BDBM50448988 COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448989 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(C)=O
BDBM50448992 COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
BDBM50448993 COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O
BDBM50444918 COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
BDBM50444919 COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444920 CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
BDBM50444921 CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
BDBM50444922 CCC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444923 C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444924 OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444925 OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1
BDBM50444926 COC(=O)[C@H](Cc1cccc(O)c1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444927 COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444928 COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444929 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)NS(C)(=O)=O)c2cc(ccc2n1)-c1cccs1 |r|
BDBM50444930 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(N)=O)c2cc(ccc2n1)-c1cccs1 |r|
BDBM50444931 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(CO)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444932 CCCCCCc1ccc2nc(cc(C(O)=O)c2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r|
BDBM50444933 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r|
BDBM50444934 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(CCc3ccc(Cl)cc3)ccc2n1 |r|
BDBM50444935 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r|
BDBM50444936 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)N1CCOCC1 |r|
BDBM50444937 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1 |r|
BDBM50444938 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cc(Cl)cc(Cl)c1 |r|
BDBM50444939 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccc(Cl)cc1 |r|
BDBM50444940 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1Cl |r|
BDBM50444941 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(Cl)c1 |r|
BDBM50444942 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccs1 |r|
BDBM50446539 Cc1nn(-c2ccc(Cl)cc2Cl)c2c1c1C(=O)NC(=O)c1c1cccn21
BDBM50013510 COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
BDBM50021714 C[C@@H](NC(=O)N1CCc2cnc(Nc3ccnc(C)c3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021715 C[C@@H](NC(=O)N1CCc2cnc(Nc3cn[nH]c3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021716 C[C@@H](NC(=O)N1CCc2cnc(Nc3ccn[nH]3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021717 OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(F)c(Cl)c1 |r|
BDBM50021718 OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1 |r|
BDBM50021719 OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021720 C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc2cc[nH]c2c1 |r|
BDBM50021625 Fc1cccc(CNC(=O)CC2CNC(=O)c3cc(cn23)-c2cn[nH]c2)c1
BDBM50021721 C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1 |r|
BDBM6131 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50021707 CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(C#N)c(Cl)c1 |r|
BDBM50021708 C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CCO[C@@H](CO)C3)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021709 C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021710 CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(F)c(F)c1 |r|
BDBM50021711 CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50021712 C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](C)c1ccc(c(F)c1)C(F)(F)F |r|
BDBM50021713 CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(OC)c(Cl)c1 |r|
BDBM105242 N#Cc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
BDBM50025068 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
BDBM148269 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C3CCCC3)nc2n1C1CCCC1
BDBM148270 CC(C)N1CCC(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM50025069 CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
BDBM148271 C[C@@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148272 C[C@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148273 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCO)nc2n1C1CCCC1
BDBM148274 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC#N)CC3)nc2n1C1CCCC1
BDBM148275 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CCO)CC4)cn3)nc2n1C1CCCC1
BDBM148276 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCF)CC3)nc2n1C1CCCC1
BDBM148277 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC(O)CC3)nc2n1C1CCCC1
BDBM148278 CN(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148279 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CC3CCCCC3)nc2n1C1CCCC1
BDBM148280 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCC3CCCC3)nc2n1C1CCCC1
BDBM148281 CC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148246 C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1 |r|
BDBM148245 CC1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1
BDBM148282 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCCC3)nc2n1C1CCCC1
BDBM148283 CC(C)OCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148284 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN(CCO)CC3)nc2n1C1CCCC1
BDBM148285 CCC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148286 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCN(CCO)CC3)nc2n1C1CCCC1
BDBM148287 COC(=O)C(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148288 CC(N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1)C(O)=O
BDBM148289 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3=O)nc2n1C1CCCC1
BDBM148290 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n1C1CCCC1
BDBM148247 C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148248 C[C@@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148249 CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM148250 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCN)nc2n1C1CCCC1
BDBM148251 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)C(=O)C4)cn3)nc2n1C1CCCC1
BDBM148252 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(C)=O)cn3)nc2n1C1CCCC1
BDBM148253 CC(C)N1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
BDBM148254 CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148255 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(=O)CN)cn3)nc2n1C1CCCC1
BDBM148256 C[C@H](CO)NCc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
BDBM148257 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCNCC3)nc2n1C1CCCC1
BDBM148258 CC(C)CCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM148259 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC4CCCCC4)CC3)nc2n1C1CCCC1
BDBM148260 CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nn1
BDBM148261 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(C)(C)O)CC3)nc2n1C1CCCC1
BDBM148262 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n1C1CCCC1
BDBM148263 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC5CCC(C4)N5)cn3)nc2n1C1CCCC1
BDBM148264 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
BDBM148265 C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)C[C@@H](C)N1 |r|
BDBM148266 CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCC(O)CC4)cn3)nc2n1C1CCCC1
BDBM148267 COCCN1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
BDBM148268 CCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM50024294 Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
BDBM50067513 OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067514 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
BDBM50067517 CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067518 Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067531 NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50067533 [H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
BDBM50067534 Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
BDBM50067537 [H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
BDBM50067538 Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067540 CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50400801 [H][C@]12C[C@@H](C)N(C1)CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O
BDBM50067541 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
BDBM50067542 OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50026840 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1
BDBM50026841 COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026842 COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026854 COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
BDBM50026856 COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026857 COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026860 Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026861 COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026862 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1
BDBM50026844 COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026849 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1
BDBM50026850 COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1
BDBM50026851 COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
BDBM50067535 CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50027825 CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50030881 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50086441 CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50026830 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1
BDBM50026832 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1
BDBM50081175 CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
BDBM50081176 O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
BDBM50026836 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F
BDBM50026837 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1
BDBM167699 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
BDBM50081177 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1
BDBM50081178 COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1
BDBM50081179 COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1
BDBM50081180 COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1
BDBM50081181 COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
BDBM50081182 COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
BDBM50081183 COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O
BDBM50081184 COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
BDBM50081185 COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
BDBM50081186 CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1
BDBM50081187 CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1
BDBM50081188 c1cc2c(ccnc2[nH]1)-c1c[nH]c2cnccc12
BDBM50081190 Cc1nccc(n1)-c1c[nH]c2cnccc12
BDBM50081192 Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O
BDBM50081193 Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12
BDBM186184 COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1
BDBM167534 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM50045370 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
BDBM50032626 COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C(C)C)n1
BDBM50032631 COC1CCN(CC1)c1nccc(Nc2cc3c(n[nH]c3cn2)C(C)C)n1
BDBM50026834 COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1
BDBM50026867 COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
BDBM50032612 COC1CCN(CC1)c1nccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1
BDBM50067515 Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067520 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
BDBM50067539 Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
BDBM2673 CS(=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
BDBM50023871 Oc1[nH]c2ccc(cc2c1C1=Nc2ccccc2C1=O)S(O)(=O)=O |t:12|
BDBM50032611 COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1
BDBM50032624 COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)n1
BDBM50032625 COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(cc3cn2)-c2cn[nH]c2)n1
BDBM50032627 COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
BDBM50032628 COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
BDBM50081174 COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
BDBM50081189 Cc1nccc(n1)-c1cn(Cc2ccccc2)c2cnccc12
BDBM164883 COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
BDBM50032630 COC1CCN(CC1)c1nccc(Nc2cc3n(nc(N)c3cn2)C(C)C)n1
BDBM164884 COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50031747 COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
BDBM180841 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)C(F)(F)F)ncc1F
BDBM180842 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)C(F)(F)F)ncc1F
BDBM180843 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
BDBM180844 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=N)(=O)C3CC3)c2)ncc1F
BDBM180845 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
BDBM180838 CCS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180816 CCS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180796 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180798 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
BDBM180800 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
BDBM180801 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCCOc23)c1
BDBM180802 CS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1)=NC#N
BDBM180803 CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180804 CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180812 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180799 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
BDBM180797 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=N)=O)c2)ncc1F
BDBM180815 CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
BDBM180849 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2cccc3CCOc23)c1
BDBM180850 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1
BDBM180851 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180852 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180853 COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180855 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)S(F)(F)(F)(F)F)ncc1F
BDBM180819 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180846 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=N)(=O)C3CC3)c2)ncc1F
BDBM180805 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180823 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180859 COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM50081191 C(=C/c1nccc(n1)-c1c[nH]c2cnccc12)\c1ccccc1
BDBM180820 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)ncc1F
BDBM180827 COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180824 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
BDBM180856 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
BDBM180831 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)ncc1F
BDBM180828 COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
BDBM180835 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)F)ncc1F
BDBM180836 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
BDBM180837 CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
BDBM180832 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F
BDBM50110178 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
BDBM50102675 COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102676 COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
BDBM50102677 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
BDBM50102678 CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
BDBM50097854 COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
BDBM50097855 COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
BDBM50097856 COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
BDBM50097860 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12
BDBM50097861 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12
BDBM50097862 COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097863 COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097864 COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
BDBM50097865 OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12
BDBM50097867 OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
BDBM50097868 OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
BDBM50097869 OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
BDBM50097870 COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O
BDBM50097871 OC(=O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12
BDBM50097872 COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
BDBM50097873 OC(=O)c1nc2ccccc2c2[nH]c3ccccc3c12
BDBM50097875 OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)C(F)(F)F
BDBM50097876 OC(=O)c1nc2ccccc2c2[nH]c3ccc(cc3c12)[N+]([O-])=O
BDBM50097877 Cc1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
BDBM50097878 OC(=O)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
BDBM225320 CC(=O)N=S([O-])(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
BDBM50102661 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
BDBM50102662 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
BDBM50102663 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
BDBM50102664 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
BDBM50102665 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
BDBM50102667 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
BDBM50102668 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102669 Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102670 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102671 COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
BDBM50102672 COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102674 O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
BDBM50123803 CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50121658 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
BDBM225310 Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
BDBM225311 NC(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
BDBM225312 [O-]C(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
BDBM225313 Brc1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CCCCC1
BDBM225314 FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
BDBM225315 O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc([nH]n1)C1CC1
BDBM225316 NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
BDBM225325 CC(C)COC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
BDBM225317 NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4[nH]nnc4c23)cc1
BDBM225318 COc1cccc(OC)c1NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
BDBM225319 O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
BDBM225321 COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
BDBM225322 C[NH+](C)CCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
BDBM225326 CCOc1ccc(cc1Cc1c(O)nc(N)nc1O)C(C)=O
BDBM225327 [O-][N+](=O)c1cccc(c1)-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1
BDBM225328 Cc1nonc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCOCC1
BDBM225329 Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(Br)cc1
BDBM50113281 Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
BDBM50097859 OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
BDBM50097866 OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
BDBM50097874 CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1
BDBM50139171 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50110176 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC1CCCCC1 |t:1,4|
BDBM50110179 Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
BDBM50110183 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50102673 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50121656 CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
BDBM50102666 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
BDBM206104 COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM225324 NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2c[nH]cn2)cc1
BDBM225323 NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
BDBM50103637 COc1ccc2c(C)nc(Nc3nc(C)cc(O)n3)nc2c1
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,)|
BDBM50184469 CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
BDBM50184470 Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
BDBM124970 CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
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,)|
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM50184466 CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
BDBM50184474 COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
BDBM50184475 CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
BDBM50184476 CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
BDBM50184467 COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
BDBM50184471 CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
BDBM50184472 Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50184473 CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
BDBM50184450 Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
BDBM50184451 CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
BDBM50184452 CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
BDBM50178298 Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
BDBM50184453 CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
BDBM50184454 CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
BDBM50184461 C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
BDBM50184468 COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
BDBM50193097 CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|
BDBM50193100 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
BDBM50193090 COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
BDBM50193093 COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
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|
BDBM50212270 CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
BDBM50193104 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
BDBM50202299 NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
BDBM168383 COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
BDBM50235816 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
BDBM50235342 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
BDBM50237288 COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
BDBM50234990 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
BDBM50235341 Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
BDBM50235359 CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O |r|
BDBM50235282 CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
BDBM50235360 CCC(C)Oc1nc(N)nc2[nH]cnc12
BDBM50239227 NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
BDBM50239229 C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
BDBM354126 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
BDBM357015 Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
BDBM50261273 Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
BDBM370121 C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
BDBM50276157 COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
BDBM50270298 CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
BDBM50269623 [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@@]1(C)OC3=C(C[C@@]21C)C(=O)C(NC)=CC3=O |r,c:15,26|
BDBM50276755 NS(=O)(=O)c1ccc(cc1)-n1ncc2c1[nH]c(=O)[nH]c2=N
BDBM50458051 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
BDBM50460767 CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
BDBM50460772 Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
BDBM50460773 Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
BDBM50467169 CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
BDBM50458034 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
BDBM50458035 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
BDBM50458036 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F
BDBM50458046 COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM50462709 O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50462710 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50449544 CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)nc(C)nc2s1
BDBM50449551 CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)nc(C)nc2s1
BDBM50455050 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM50449553 Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1
BDBM50452728 COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
BDBM50457375 CN1CCN(CCCCOc2c(OCc3ccc(cc3)C#N)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50468264 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
BDBM50468265 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50460939 CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
BDBM50367737 Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
BDBM50479261 [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
BDBM50479262 COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
BDBM50479263 Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
BDBM50479264 Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
BDBM50479265 COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
BDBM50479266 COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
BDBM50479267 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
BDBM50480014 CC(C)(C)c1cc2c(N\N=C/c3cccc(CN)n3)ncnc2s1
BDBM50480015 CNCc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
BDBM50480016 CC(C)(C)c1cc2c(N\N=C/c3cccc(CO)n3)ncnc2s1
BDBM50480017 CCc1cc2c(N\N=C/c3cccs3)ncnc2s1
BDBM50480018 C(c1cc2c(N\N=C/c3cccs3)ncnc2s1)c1ccccc1
BDBM50480019 CCc1c(C)sc2ncnc(N\N=C/c3cccs3)c12
BDBM50480020 CCc1cc2c(N\N=C/c3cccs3)nc(C)nc2s1
BDBM50480021 CCc1cc2c(N\N=C/c3cccs3)nc(nc2s1)-c1ccccc1
BDBM50480022 CC(C)c1cc2c(N\N=C(\C)c3cccs3)ncnc2s1
BDBM50480023 CCc1cc2c(N\N=C/C(C)(C)C)ncnc2s1
BDBM50480024 CC(C)c1cc2c(N\N=C/c3ccccn3)ncnc2s1
BDBM50480025 Cc1cc2c(N\N=C/c3cccs3)ncnc2s1
BDBM50480026 CC(C)(C)c1cc2c(N\N=C/c3cccs3)ncnc2s1
BDBM50480027 Cc1csc2ncnc(N\N=C/c3cccs3)c12
BDBM50480028 CC(C)c1cc2c(ncnc2s1)-n1ccc(n1)-c1cccs1
BDBM50480482 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
BDBM50480483 COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
BDBM50480484 COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
BDBM50480485 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
BDBM50480029 CCc1cc2c(N\N=C/C3CC3)ncnc2s1
BDBM50480030 CC(C)c1cc2c(N\N=C/c3ccncc3)ncnc2s1
BDBM50480031 CC(C)c1cc2c(N\N=C/c3ccccc3)ncnc2s1
BDBM50480032 CC(C)c1cc2c(N\N=C/c3ccco3)ncnc2s1
BDBM50480033 CC(C)(C)c1cc2c(N\N=C/c3cccnc3)ncnc2s1
BDBM50480034 Cc1ccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)nc1
BDBM50480035 Cc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
BDBM50480036 CN(C)Cc1cccc(\C=N/Nc2ncnc3sc(cc23)C(C)(C)C)n1
BDBM50480037 CC(C)(C)c1cc2c(N\N=C/c3cccc(CN4CCOCC4)n3)ncnc2s1
BDBM50480038 CC(C)c1cc2c(N\N=C/c3cccnc3)ncnc2s1
BDBM50480039 CC(C)(C)c1cc2c(N\N=C/c3ccccn3)ncnc2s1
BDBM50480040 CC(C)c1cc2c(N\N=C/c3cccs3)ncnc2s1
BDBM50480041 C1CCc2c(C1)sc1ncnc(N\N=C/c3cccs3)c21
BDBM50486136 C[N+](C)(C)[C@H](Cc1cc(I)c(O)c(I)c1)C([O-])=O |r|
BDBM50486137 COc1c(Br)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|
BDBM50486138 C[N+](C)(C)[C@H](CCOc1c(Cl)cc(Br)cc1Cl)C([O-])=O |r|
BDBM50486139 COc1c(I)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|
BDBM50486140 C[N+](C)(C)[C@H](Cc1cc(Br)c(O)c(I)c1)C([O-])=O |r|
BDBM50486141 C[N+](C)(C)[C@H](CCOc1ccc(Br)cc1Br)C([O-])=O |r|
BDBM50486142 COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r|
BDBM50486143 C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1Br)C([O-])=O |r|
BDBM50486144 C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1I)C([O-])=O |r|
BDBM50500930 Nc1ncccc1-c1nc2ccccc2[nH]1
BDBM50500931 C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
BDBM50500932 CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
BDBM50500933 CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
BDBM50500934 C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
BDBM50500935 CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2ccccc2[nH]1
BDBM50500936 CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
BDBM50499634 OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
BDBM50523417 Nc1nc(-c2cccc(CC(O)=O)c2)c2nc[nH]c2n1
BDBM50504642 CC(C)C\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(Br)cc1
BDBM50511933 C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
BDBM50506295 COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1
BDBM50511926 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50511931 C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
BDBM444600 Cc1nc2c(F)cc(cc2n1C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444545 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
BDBM444479 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444493 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444494 CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1
BDBM444495 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
BDBM444496 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F
BDBM444498 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC(C)(C)O)ncc1F
BDBM444499 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)(C)N(C)C)ncc1F
BDBM444500 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444502 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCCCC2)ncc1F
BDBM444503 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CC2CC(O)C2)ncc1F |(7.29,3.08,;5.75,3.08,;4.84,1.83,;3.38,2.31,;2.05,1.54,;2.05,,;.71,2.31,;.71,3.85,;2.05,4.62,;3.38,3.85,;4.84,4.33,;5.24,5.81,;4.15,6.9,;6.73,6.21,;-.62,4.62,;-1.95,3.85,;-3.29,4.62,;-4.62,3.85,;-4.62,2.31,;-3.29,1.54,;-3.29,,;-4.62,-.77,;-4.62,-2.31,;-5.96,-3.08,;-7.29,-2.31,;-7.29,-.77,;-5.96,,;-5.96,1.54,;-5.96,-4.62,;-7.29,-5.39,;-4.62,-5.39,;-3.22,-4.76,;-2.9,-3.26,;-1.39,-3.58,;-.09,-2.74,;-1.68,-4.92,;-3.29,6.16,;-1.95,6.93,;-.62,6.16,;.71,6.93,)|
BDBM444504 Cc1nc2c(F)cc(cc2n1C1CCCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444505 C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F |r,wD:1.0,(6.44,6.68,;6.04,5.19,;4.55,4.79,;4.15,3.3,;5.24,2.22,;6.73,2.61,;7.13,4.1,;4.84,.73,;5.75,-.52,;7.29,-.52,;4.84,-1.76,;3.38,-1.29,;2.05,-2.06,;2.05,-3.6,;.71,-1.29,;.71,.25,;2.05,1.02,;3.38,.25,;-.62,1.02,;-1.95,.25,;-3.29,1.02,;-4.62,.25,;-4.62,-1.29,;-3.29,-2.06,;-3.29,-3.6,;-4.62,-4.37,;-4.62,-5.91,;-5.96,-6.68,;-7.29,-5.91,;-7.29,-4.37,;-5.96,-3.6,;-5.96,-2.06,;-3.29,2.56,;-1.95,3.33,;-.62,2.56,;.71,3.33,)|
BDBM444507 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC[C@H](C)CC5)c4c3)ccc2C1 |r,wD:31.32,(-3.29,-5.52,;-3.29,-7.06,;-4.62,-7.83,;-5.96,-7.06,;-7.29,-7.83,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-4.62,-.13,;-4.62,1.41,;-3.29,2.18,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,;-.62,2.18,;-1.95,1.41,;.71,1.41,;.71,-.13,;2.05,-.9,;2.05,-2.44,;3.38,-.13,;4.84,-.61,;5.75,.64,;7.29,.64,;4.84,1.88,;5.24,3.37,;4.15,4.46,;4.55,5.95,;6.04,6.35,;6.44,7.83,;7.13,5.26,;6.73,3.77,;3.38,1.41,;2.05,2.18,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,)|
BDBM444510 C[C@H]1CCC(CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F |r,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-5.96,-7.06,;-7.29,-7.83,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
BDBM444512 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
BDBM444516 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
BDBM444518 Cc1nc2c(F)cc(cc2n1C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444519 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(N)C2)ncc1F |(4.15,7.06,;5.24,5.97,;6.73,6.37,;4.84,4.49,;5.75,3.24,;7.29,3.24,;4.84,1.99,;3.38,2.47,;2.05,1.7,;2.05,.16,;.71,2.47,;.71,4.01,;2.05,4.78,;3.38,4.01,;-.62,4.78,;-1.95,4.01,;-3.29,4.78,;-4.62,4.01,;-4.62,2.47,;-3.29,1.7,;-3.29,.16,;-4.62,-.61,;-4.62,-2.15,;-5.96,-2.92,;-7.29,-2.15,;-7.29,-.61,;-5.96,.16,;-5.96,1.7,;-5.96,-4.46,;-7.29,-5.23,;-4.62,-5.23,;-4.22,-6.72,;-2.74,-6.32,;-1.4,-7.09,;-3.13,-4.83,;-3.29,6.32,;-1.95,7.09,;-.62,6.32,;.71,7.09,)|
BDBM444520 CC(C)n1c(C)nc2c(cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F)C(F)(F)F
BDBM444521 CNC1CC(C1)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 |(-1.4,-7.86,;-1.4,-6.32,;-2.74,-5.55,;-4.22,-5.95,;-4.62,-4.46,;-3.13,-4.06,;-5.96,-3.69,;-7.29,-4.46,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-4.62,3.24,;-4.62,4.78,;-3.29,5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,;-.62,5.55,;-1.95,4.78,;.71,4.78,;.71,3.24,;2.05,2.47,;2.05,.93,;3.38,3.24,;4.84,2.76,;5.75,4.01,;7.29,4.01,;4.84,5.26,;5.24,6.74,;4.15,7.83,;6.73,7.14,;3.38,4.78,;2.05,5.55,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,)|
BDBM444586 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
BDBM444589 C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
BDBM444581 C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444579 C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444522 CN(C)CCNC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444523 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCN(C)C)ncc1F
BDBM444524 CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444525 CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444528 C[C@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444529 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
BDBM444530 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
BDBM444531 CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444532 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444533 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444534 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM444535 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(C2)N(C)C)ncc1F |(4.15,7.83,;5.24,6.74,;6.73,7.14,;4.84,5.26,;5.75,4.01,;7.29,4.01,;4.84,2.76,;3.38,3.24,;2.05,2.47,;2.05,.93,;.71,3.24,;.71,4.78,;2.05,5.55,;3.38,4.78,;-.62,5.55,;-1.95,4.78,;-3.29,5.55,;-4.62,4.78,;-4.62,3.24,;-3.29,2.47,;-3.29,.93,;-4.62,.16,;-4.62,-1.38,;-5.96,-2.15,;-7.29,-1.38,;-7.29,.16,;-5.96,.93,;-5.96,2.47,;-5.96,-3.69,;-7.29,-4.46,;-4.62,-4.46,;-4.22,-5.95,;-2.74,-5.55,;-3.13,-4.06,;-1.4,-6.32,;-1.4,-7.86,;-.07,-5.55,;-3.29,7.09,;-1.95,7.86,;-.62,7.09,;.71,7.86,)|
BDBM444537 Cc1nc2c(F)cc(cc2n1CC1CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444538 CN1CCC[C@@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444539 CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444540 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444541 CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444542 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|
BDBM444543 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444546 CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM50516532 COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 |r|
BDBM444548 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444549 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444550 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444551 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
BDBM444552 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C2)C#C)ncc1F
BDBM444554 CN(C)C[C@H](O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444555 CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444556 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC4CCCN4CC#C)CCc3n2)ncc1F
BDBM444557 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#C)CCc3n2)ncc1F
BDBM444558 C[C@@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444559 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
BDBM444560 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
BDBM444561 C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
BDBM444562 C[C@H](N)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444563 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444564 CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444565 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444566 C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
BDBM444567 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444568 Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM444569 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444570 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC[Si](C)(C)C)CCc3n2)ncc1F
BDBM444571 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444572 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
BDBM444573 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444574 CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444575 CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
BDBM444576 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C\C=N\O)CCc3n2)ncc1F
BDBM444577 [#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
BDBM444578 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
BDBM444526 C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM444478 CC(C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444580 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
BDBM444584 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
BDBM444482 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F
BDBM444483 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F
BDBM444484 COC(=O)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444485 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(F)(F)F)CCc3n2)ncc1F
BDBM444585 C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F |r,wU:4.7,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-5.96,-7.06,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
BDBM444587 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=S)CCc3n2)ncc1F
BDBM50504651 CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1
BDBM50504653 CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1
BDBM444501 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444487 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=C)CN(C)C)ncc1F
BDBM444488 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3C(=O)N(CCN(C)C)Cc3n2)ncc1F
BDBM444489 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CC(CCc3n2)C(=O)CN)ncc1F
BDBM444490 COC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444491 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(O)=O)ncc1F
BDBM444492 Cc1nc2c(F)cc(cc2n1C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50519158 Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
BDBM50531922 CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
BDBM50531923 CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12
BDBM444486 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50526790 Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
BDBM50526792 CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
BDBM50526793 CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
BDBM50526794 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
BDBM50526795 CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
BDBM50526797 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM50526798 CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
BDBM50526799 CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12
BDBM50526800 Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
BDBM50526801 FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
BDBM50526803 CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
BDBM50528812 CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
BDBM50528816 O\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50528817 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM50523416 Nc1nc(I)c2nc[nH]c2n1
BDBM50528238 COc1ccc(cc1)-c1n[nH]c2-c3cccc(C=O)c3C(=O)c12
BDBM50524298 CC(O)=O.CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 |r|
BDBM50524300 COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
BDBM50528239 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=N)c3C(=O)c12
BDBM50528240 NC(=O)Nc1cccc2-c3[nH]nc(-c4csc(Cl)c4)c3C(=O)c12
BDBM50528241 O=C(NN1CCOCC1)Nc1cccc2-c3[nH]nc(-c4ccc(s4)C(=O)N4CCNCC4)c3C(=O)c12
BDBM444596 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F
BDBM444597 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
BDBM444598 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
BDBM444599 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(=S)n4ccnc4)CCc3n2)ncc1F
BDBM444601 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCC(N)NO)CCc3n2)ncc1F
BDBM448926 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
BDBM444591 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444602 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C)c4c3)ccc2C1
BDBM444604 CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444605 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444606 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCOCC4)CCc3n2)ncc1F
BDBM444607 CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
BDBM444608 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCP(C)(=O)CC4)CCc3n2)ncc1F
BDBM444609 CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444610 CN(C)CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444611 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CC[Si](C)(C)C
BDBM444612 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(C)=N)CCc3n2)ncc1F
BDBM444613 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444614 CN(C)C(C)(C)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444615 CCOP(=O)(OCC)C1(O)CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |w:8.7|
BDBM444616 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)CCP(O)(O)=O
BDBM444617 CCOP(=O)(CCN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)OCC
BDBM444618 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
BDBM444619 CN(CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1)C(\C)=N/O
BDBM444620 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
BDBM448940 CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM444621 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444622 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(=O)(CCN(C)(C)=O)CCc3n2)ncc1F
BDBM444623 CCOP(=O)(OCC)N(C)CCN1(=O)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM444624 CC(CN(C)C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444625 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(=CC4)B(O)O)CCc3n2)ncc1F |c:32|
BDBM444626 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCS(C)(=O)=O)CCc3n2)ncc1F
BDBM444627 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
BDBM444628 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CC(C)(C)N)CCc3n2)ncc1F
BDBM444629 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN4CCC(CC4)B(O)O)CCc3n2)ncc1F
BDBM444633 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(C)=O)ncc1F
BDBM444634 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
BDBM448950 CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM444593 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444594 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM444595 CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
BDBM50502338 CCOP(=O)(OCC)N(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM50536675 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
BDBM50536681 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
BDBM370258 CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
BDBM50539906 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1
BDBM50540102 COc1cc(\C=C2/Oc3cc4occc4c(OC)c3C2=O)ccc1OCC(=O)Nc1ccccc1
BDBM50539914 FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|
BDBM50540077 CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50539915 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCC2CCOCC2)s1 |r|
BDBM50539916 CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539917 CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539918 CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50539719 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 |r|
BDBM50539721 CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|
BDBM50539921 CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM50543578 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3c(C)ccc3CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM494016 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(\C)=N/O)CCc3n2)ncc1F
BDBM493933 COCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM493938 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CNCCc3n2)ncc1F
BDBM493939 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ncc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
BDBM493941 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN)ncc1F
BDBM493942 COC(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
BDBM493943 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(O)=O)CCc3n2)ncc1F
BDBM493953 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
BDBM493954 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CC(O)C2)ncc1F |(4.26,32.34,;5.35,31.25,;6.84,31.65,;4.95,29.76,;5.86,28.51,;7.4,28.51,;4.95,27.27,;3.49,27.74,;2.16,26.97,;2.16,25.43,;.82,27.74,;.82,29.28,;2.16,30.05,;3.49,29.28,;-.51,30.05,;-1.85,29.28,;-3.18,30.05,;-4.51,29.28,;-4.51,27.74,;-3.18,26.97,;-3.18,25.43,;-4.51,24.66,;-4.51,23.12,;-5.85,22.35,;-7.18,23.12,;-7.18,24.66,;-5.85,25.43,;-5.85,26.97,;-5.85,20.81,;-7.18,20.04,;-4.51,20.04,;-4.11,18.56,;-2.63,18.96,;-1.29,18.19,;-3.03,20.44,;-3.18,31.59,;-1.85,32.36,;-.51,31.59,;.82,32.36,)|
BDBM493960 CN(C)C(=O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493976 CN(C)CCC(=C)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493977 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM493982 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(O)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM493985 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
BDBM493992 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC#C)C2)ncc1F
BDBM494018 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
BDBM494021 C[C@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM494028 C[C@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
BDBM494029 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
BDBM494032 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM494033 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
BDBM494040 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC(N)=NO)CCc3n2)ncc1F
BDBM494042 CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM494061 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCN(C)(C)=O)CCc3n2)ncc1F
BDBM494066 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC=NO)CCc3n2)ncc1F
BDBM498451 COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)ccn1 |r|
BDBM519533 CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
BDBM519534 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519535 FC(F)(F)c1cc(NCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)ncc1Cl |r|
BDBM519536 CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519538 FC(F)(F)c1cccc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)c1 |r|
BDBM519542 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519543 C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2ccncc2)s1
BDBM519544 C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2cccnc2)s1
BDBM519545 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ccccn2)s1 |r|
BDBM519547 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)C=C)s2)o1 |r|
BDBM519548 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3C(F)(F)F)s2)o1 |r|
BDBM519550 C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2cncnc2)s1 |r|
BDBM519551 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519552 CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519553 CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
BDBM519554 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM519455 C=CC(=O)Nc1cccc(c1)C(=O)Nc1ncc(s1)N1CCOCC1
BDBM519456 CN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519476 CCN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519479 CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519480 CN(C)C1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1
BDBM519490 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519493 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)C3CCC(CC3)NC(=O)C=C)s2)o1 |(7.03,2.4,;7.43,3.88,;8.92,4.28,;8.52,2.8,;6.34,4.97,;6.34,6.51,;4.88,6.99,;3.97,5.74,;2.43,5.74,;1.66,7.08,;.12,7.08,;-.78,8.32,;-2.25,7.85,;-2.25,6.31,;-3.58,5.54,;-3.58,4,;-2.25,3.23,;-2.25,1.69,;-3.58,.92,;-4.92,1.69,;-4.92,3.23,;-6.25,.92,;-7.58,1.69,;-6.25,-.62,;-7.58,-1.39,;-7.58,-2.93,;-6.25,-3.7,;-4.92,-2.93,;-4.92,-1.39,;-6.25,-5.24,;-7.58,-6.01,;-8.92,-5.24,;-7.58,-7.55,;-8.92,-8.32,;-.78,5.83,;4.88,4.5,)|
BDBM519500 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1
BDBM519527 CC(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519528 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1
BDBM519529 CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(CNC(=O)C=C)cc3)s2)o1
BDBM519532 COc1cc(NC(=O)C=C)ccc1C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50549828 Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
BDBM50549837 COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
BDBM50549846 Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
BDBM50549854 C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
BDBM50549855 C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
BDBM50553495 COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
BDBM50552452 NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
BDBM50553479 COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
BDBM50553480 C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r|
BDBM50553481 CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
BDBM50563140 Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccn1
BDBM50563174 Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
BDBM50563177 Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1
BDBM50560385 CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
BDBM50560735 CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3)-c3cncc4ccccc34)cc12 |r|
BDBM50563675 O=c1[nH]cc(C2CCCCC2)c2nccn12
BDBM50578001 Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
BDBM50578008 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
BDBM50578010 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
BDBM50578014 Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
BDBM50578019 Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
BDBM50570973 O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
BDBM50570974 COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
BDBM560670 CS(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
BDBM560680 Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1 |r|
BDBM556326 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C(=O)CO)cn2)ncc1F
BDBM556327 CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|
BDBM556328 CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556329 CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556330 CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556331 CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556334 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F
BDBM556335 CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
BDBM556336 CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
BDBM556337 CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F
BDBM556338 CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nn5CCCc5c4c3)nc2)CC1
BDBM50578021 Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM50578022 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM50573869 Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r|
BDBM50584948 CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
BDBM50586289 Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
BDBM50588259 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
BDBM50588260 O=C(N1CCCC1)c1ccc(cc1)-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
BDBM50584949 Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
BDBM50588266 CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588255 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
BDBM50588256 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCC(C1)NC(C)=O
BDBM50588257 COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCNCC1
BDBM50588258 COc1cc(ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCC1
BDBM50588262 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1
BDBM50588264 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1
BDBM50588263 CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
BDBM50588261 COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1
BDBM50589218 O=C(Cc1ccc(cc1)B1NC=CC=C1)Nc1cc([nH]n1)C1CC1 |c:12,14|
BDBM50590456 CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50590457 Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|
BDBM50590458 CC(=O)N(C1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |(2.68,4.11,;1.35,3.34,;.01,4.11,;1.35,1.8,;.01,1.03,;-1.32,1.8,;-2.66,1.03,;-2.66,-.51,;-1.32,-1.28,;.01,-.51,;-3.99,-1.28,;-5.32,-.51,;-5.32,1.03,;-6.65,1.8,;-7.99,1.03,;-7.99,-.52,;-6.65,-1.28,;-9.32,1.8,;-10.65,2.57,;2.68,1.03,;4.01,1.8,;5.34,1.03,;5.34,-.51,;4.02,-1.28,;2.68,-.52,;6.68,-1.28,;6.84,-2.81,;8.34,-3.13,;9.11,-1.8,;10.65,-1.8,;8.08,-.66,)|
BDBM50591706 C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
BDBM50595213 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595214 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(Br)cc3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595215 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3Br)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595216 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(O)cc3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595217 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595218 Cc1cc(NS(=O)(=O)c2ccc(Nc3n[nH]c4nc[nH]c(=O)c34)cc2)no1
BDBM50595219 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(cc3)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595208 CC(C)(C)\C=C(/C#N)C(=O)Nc1cccc(c1)-c1nn(c2nc[nH]c(=O)c12)C(C)(C)C
BDBM50595209 CCCC\C=C(/C#N)C(=O)Nc1cccc(c1)-c1nn(c2nc[nH]c(=O)c12)C(C)(C)C
BDBM50595210 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(cc3)C(O)=O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595211 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595799 NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
BDBM50595220 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595221 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(Br)c3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595222 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(Cl)c3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595212 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(c3)[N+]([O-])=O)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595223 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595224 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3cccc(c3)C(F)(F)F)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595225 COc1ccc(\C=C(/C#N)C(=O)Nc2cccc(c2)-c2nn(c3nc[nH]c(=O)c23)C(C)(C)C)cc1
BDBM50595226 CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\C=C\c3ccccc3)\C#N)c2)c2c1nc[nH]c2=O
BDBM50595809 CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1 |r|
BDBM50595810 C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 |r|
BDBM50595811 C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)N[C@@H]3CCCN(C)C3)nc12 |r|
BDBM50593270 COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N(C)C(C)C)n(C)n1 |r|
BDBM50593271 CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|
BDBM50593272 CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|
BDBM50593273 CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r|
BDBM50595812 CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1 |r|
BDBM50595813 CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C(=O)C32CC2)c2cc(F)ccc2Cl)cc1
BDBM50595814 CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1 |r|
BDBM50593274 CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|
BDBM50593275 Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CCC[C@H](CC2)OC(=O)NC2(C)CC2)on1 |r|
BDBM50593922 CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
BDBM50593923 CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
BDBM50595815 CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1 |r|
BDBM50595923 CCCc1cnc(NC(=O)[C@@H](C)c2ccc(NC(C)=O)cc2)s1 |r|
BDBM50596646 NCCCNCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:24.24,wD:21.20,(-10.08,8.34,;-8.99,7.25,;-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.27,;-1.26,5.18,;.23,5.57,;1.32,4.49,;2.81,4.88,;3.2,6.37,;3.9,3.8,;3.5,2.31,;4.58,1.22,;6.07,1.62,;7.16,.53,;6.76,-.96,;5.28,-1.35,;4.88,-2.84,;3.39,-3.24,;2.3,-2.15,;2.7,-.66,;1.61,.43,;.12,.03,;-.97,1.12,;-.28,-1.46,;.81,-2.55,;5.97,-3.93,;7.45,-3.53,;8.74,-4.34,;9.94,-3.38,;9.41,-1.98,;7.85,-2.05,;8.74,-5.88,;10.08,-6.65,;9.73,-8.19,;8.23,-8.34,;7.61,-6.92,;6.47,3.11,;5.37,4.19,)|
BDBM50596647 NCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:21.21,wD:18.17,(7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;.4,6.21,;1.09,3.63,;-.4,3.24,;-.8,1.75,;.29,.66,;-.11,-.82,;.98,-1.91,;.58,-3.4,;-.9,-3.8,;-1.3,-5.28,;-2.79,-5.68,;-3.88,-4.59,;-3.48,-3.11,;-4.57,-2.02,;-6.06,-2.41,;-7.14,-1.33,;-6.45,-3.9,;-5.37,-4.99,;-.21,-6.38,;1.28,-5.97,;2.56,-6.79,;3.77,-5.82,;3.23,-4.42,;1.67,-4.49,;2.56,-8.33,;3.9,-9.1,;3.55,-10.63,;2.06,-10.78,;1.44,-9.36,;1.78,1.06,;2.17,2.55,)|
BDBM50596648 NCCCNCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:25.25,wD:22.21,(9.03,12.67,;8.63,11.18,;7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;1.09,3.63,;-.4,3.24,;-1.49,4.32,;-.8,1.75,;-2.29,1.35,;-2.68,-.13,;-1.6,-1.22,;-1.99,-2.71,;-.91,-3.8,;-1.3,-5.29,;-2.79,-5.68,;-3.19,-7.17,;-4.67,-7.57,;-5.76,-6.48,;-5.36,-4.99,;-6.45,-3.9,;-7.94,-4.3,;-9.03,-3.21,;-8.34,-5.79,;-7.25,-6.88,;-2.09,-8.26,;-.61,-7.86,;.68,-8.67,;1.88,-7.71,;1.35,-6.31,;-.22,-6.38,;.68,-10.21,;2.01,-10.98,;1.67,-12.51,;.17,-12.67,;-.45,-11.25,;-.1,-.82,;.29,.67,)|
BDBM50596643 NCCCNCCCCNCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:26.26,wD:23.22,(-12.11,8.28,;-10.62,8.68,;-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;4.84,4.54,;5.93,3.45,;5.53,1.96,;6.61,.88,;8.1,1.27,;9.19,.18,;8.79,-1.3,;7.31,-1.7,;6.91,-3.19,;5.42,-3.58,;4.33,-2.5,;4.73,-1.01,;3.64,.08,;2.15,-.32,;1.06,.77,;1.75,-1.8,;2.84,-2.89,;8,-4.28,;9.49,-3.87,;10.77,-4.69,;11.98,-3.72,;11.44,-2.33,;9.88,-2.39,;10.77,-6.23,;12.11,-7,;11.76,-8.53,;10.27,-8.68,;9.65,-7.26,;8.5,2.77,;7.41,3.85,)|
BDBM50596644 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(N)=O)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.52,2.1,;-4.43,1.01,;-2.94,1.41,;-1.86,.32,;-2.25,-1.17,;-3.74,-1.57,;-4.83,-.48,;-1.16,-2.26,;.32,-1.86,;.72,-.37,;2.2,.02,;2.6,1.51,;1.51,2.6,;.03,2.2,;-1.06,3.29,;-.66,4.78,;.82,5.18,;1.91,4.1,;-1.75,5.87,;-1.35,7.35,;-3.24,5.47,;3.29,-1.06,;4.86,-1,;5.39,-2.4,;4.19,-3.36,;4.19,-4.9,;5.52,-5.67,;5.18,-7.2,;3.68,-7.35,;3.06,-5.94,;2.9,-2.55,;1.42,-2.95,)|
BDBM50596645 NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)|
BDBM50596641 NCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;.38,3.34,;1.46,2.26,;2.95,2.65,;4.04,1.57,;3.64,.08,;2.15,-.32,;1.76,-1.81,;.27,-2.2,;-.82,-1.11,;-.42,.37,;-1.51,1.46,;-3,1.06,;-4.09,2.15,;-3.4,-.42,;-2.31,-1.51,;2.85,-2.9,;4.33,-2.49,;5.62,-3.31,;6.82,-2.34,;6.29,-.95,;4.73,-1.01,;5.62,-4.85,;6.95,-5.62,;6.61,-7.15,;5.11,-7.3,;4.49,-5.88,;3.35,4.15,;2.25,5.23,)|
BDBM50596642 NCCCNCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:22.22,wD:19.18,(-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;2.95,2.65,;4.04,1.57,;5.52,1.96,;6.61,.88,;6.21,-.61,;4.73,-1.01,;4.33,-2.5,;2.84,-2.89,;1.76,-1.81,;2.15,-.32,;1.06,.77,;-.42,.37,;-1.51,1.46,;-.82,-1.11,;.27,-2.2,;5.43,-3.59,;6.91,-3.18,;8.2,-4,;9.4,-3.03,;8.87,-1.64,;7.3,-1.7,;8.2,-5.54,;9.53,-6.31,;9.18,-7.84,;7.69,-7.99,;7.07,-6.57,;5.92,3.46,;4.83,4.54,)|
BDBM50595936 CC(C)c1cnc(NC(=O)C(C)c2ccc(NC(C)=O)cc2)s1
BDBM50600029 CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM50600030 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|
BDBM50600027 Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|
BDBM50601439 C[C@H]1CC[C@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |r,wD:4.7,1.0,(3.42,-3.29,;3.42,-1.75,;4.76,-.98,;4.76,.56,;3.42,1.33,;2.09,.56,;2.09,-.98,;3.42,2.87,;4.55,3.9,;6.09,3.73,;7,4.98,;6.38,6.39,;4.85,6.56,;3.93,5.32,;2.43,5.17,;1.28,6.24,;-.22,5.76,;-.56,4.24,;-2.05,3.84,;-2.45,2.35,;-1.36,1.26,;-1.76,-.22,;-3.25,-.62,;-3.64,-2.1,;-5.12,-2.5,;-6.2,-1.42,;-5.81,.06,;-4.33,.46,;-3.94,1.95,;-5.52,-3.99,;-7,-4.38,;-4.43,-5.07,;-4.83,-6.56,;.59,3.17,;2.09,3.64,)|
BDBM50601448 Brc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1
BDBM50601449 COc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1
BDBM50601390 CNc1nc(C(=O)\C=C\c2ccc(OC)cc2)c(C)s1
BDBM50601447 CCCn1cc(\C=N\N=C2/C(=O)Nc3ccc(C)cc23)c2ccccc12
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM610463 CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
BDBM642787 CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM642788 O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1
BDBM642988 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM642990 OC(=O)c1ccc(cc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM643079 OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(Cl)c12)[N+]([O-])=O
BDBM643080 OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(F)c12)[N+]([O-])=O
BDBM643061 OC(=O)c1c(O)cccc1NCCc1c[nH]c2ccccc12
BDBM643074 OC(=O)c1cc(Cl)ccc1NCCc1c[nH]c2ccccc12
BDBM643075 OC(=O)c1cc(Br)ccc1NCCc1c[nH]c2ccccc12
BDBM643076 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)C(F)(F)F
BDBM643077 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)S(F)(F)(F)(F)F
BDBM643078 Cc1cccc2[nH]cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c12
BDBM643029 OC(=O)c1cc(c(Br)cc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM643022 Cc1cc(C(O)=O)c(NCCc2c[nH]c3ccccc23)cc1[N+]([O-])=O
BDBM643102 CCCc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM642789 CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM642790 CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM643047 Cc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
BDBM643046 COc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
BDBM643056 Nc1c(ccc(NCCc2c[nH]c3ccccc23)c1C(O)=O)[N+]([O-])=O
BDBM643073 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)C#N
BDBM643064 OC(=O)c1c(O)c(ccc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM643093 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(ccc12)C#N)C(F)(F)F
BDBM643094 OC(=O)c1cc(ccc1NCCc1c[nH]c2c(O)cccc12)C(F)(F)F
BDBM643095 FC(F)(F)c1cc(C(=O)O[Na])c(NCCc2c[nH]c3ccccc23)cn1
BDBM643096 FC(F)(F)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)-c1nnn[nH]1
BDBM643097 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(F)ccc12)C(F)(F)F
BDBM643098 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Cl)ccc12)C(F)(F)F
BDBM643099 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)C(F)(F)F
BDBM643100 FC(F)(F)c1ccc(NCCc2c[nH]c3cc(Br)ccc23)c(c1)-c1nnn[nH]1
BDBM643101 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(ccc12)C#N)S(F)(F)(F)(F)F
BDBM643103 OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12
BDBM643104 OC(=O)c1cc(F)c(F)cc1NCCc1c[nH]c2ccccc12
BDBM643105 OC(=O)c1cc2CCCCc2cc1NCCc1c[nH]c2ccccc12
BDBM643106 OC(=O)c1cc2ccccc2cc1NCCc1c[nH]c2ccccc12
BDBM643107 Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
BDBM643108 Cc1[nH]c2c(Cl)c(Cl)ccc2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
BDBM643109 OC(=O)c1cc(ccc1SCCc1c[nH]c2ccccc12)C(F)(F)F
BDBM643110 CC(Cc1c(C)[nH]c2cc(F)ccc12)Nc1ccc(cc1C(O)=O)C(F)(F)F
BDBM643111 OC(=O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2cc(F)ccc12
BDBM643112 OC(=O)c1c(NCCc2c[nH]c3ccccc23)ccc(c1F)C(F)(F)F
BDBM643113 OC(=O)c1cccc(c1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM643114 Cc1cc(cc(C(O)=O)c1NCCc1c[nH]c2ccccc12)[N+]([O-])=O
BDBM643116 COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643117 CC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643118 OC(=O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12
BDBM643119 Cn1cc(CCNc2ccc(cc2C(O)=O)[N+]([O-])=O)c2ccccc12
BDBM643120 Cc1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)[N+]([O-])=O
BDBM643121 Cc1ccc2[nH]cc(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c2c1
BDBM643122 Cc1cccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c12
BDBM643123 OC(=O)c1cc(ccc1NCCc1c[nH]c2c(Cl)cccc12)[N+]([O-])=O
BDBM643124 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)S(F)(F)(F)(F)F
BDBM643125 CCOc1cc(NCCc2c[nH]c3cc(ccc23)C#N)c(cc1OCC)C(O)=O
BDBM643126 OC(=O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2cc(Br)ccc12
BDBM643127 OCc1[nH]c2ccccc2c1CCNc1ccc(SC(F)(F)F)cc1C(O)=O
BDBM643128 OCc1[nH]c2cc(Br)ccc2c1CCNc1ccc(SC(F)(F)F)cc1C(O)=O
BDBM643129 OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2cc(Br)ccc12
BDBM643130 OC(=O)c1cc(SC(F)(F)F)ccc1NCCc1c[nH]c2cc(ccc12)C#N
BDBM643131 Cc1c(ccc(NCCc2c[nH]c3ccccc23)c1C(O)=O)[N+]([O-])=O
BDBM643132 COc1cc(NCCc2c[nH]c3ccccc23)c(cc1Br)C(O)=O
BDBM643133 Cc1cc(C(O)=O)c(NCCc2c[nH]c3ccccc23)cc1Cl
BDBM643134 COc1cc(NCCc2c[nH]c3ccccc23)c(cc1OC)C(O)=O
BDBM643135 OC(=O)c1cc2OCOc2cc1NCCc1c[nH]c2ccccc12
BDBM643136 OC(=O)c1cc2OCCOc2cc1NCCc1c[nH]c2ccccc12
BDBM643137 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)C1CC1
BDBM643138 COc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643139 Cc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643140 CCc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643141 CC(C)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643142 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)-c1ccccc1
BDBM643143 CC(C)(C)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643145 CC(C)Oc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643146 CCOc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643147 CC(C)(C)Oc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643148 CCSc1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O
BDBM643150 Nc1cc(NCCc2c[nH]c3ccccc23)c(cc1[N+]([O-])=O)C(O)=O
BDBM643151 OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1[N+]([O-])=O
BDBM643152 OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1C(F)(F)F
BDBM643153 OC(=O)c1c(NCCc2c[nH]c3ccccc23)cccc1C#N
BDBM643154 OC(=O)c1cc(C=O)ccc1NCCc1c[nH]c2ccccc12
BDBM643155 OC(=O)c1cc(ccc1NCCc1c([nH]c2ccccc12)-c1cccc[nH+]1)[N+]([O-])=O
BDBM643156 OC(=O)c1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)[N+]([O-])=O
BDBM643157 OC(=O)c1cc(ccc1NCCc1c[nH]c2cccc(O)c12)C(F)(F)F
BDBM643158 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(O)ccc12)C(F)(F)F
BDBM643081 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(Cl)cc12)[N+]([O-])=O
BDBM643082 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(F)cc12)[N+]([O-])=O
BDBM643083 OC(=O)c1cc(ccc1NCCc1c[nH]c2c(F)cccc12)[N+]([O-])=O
BDBM643084 Cc1ccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c2c1
BDBM643085 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Cl)ccc12)[N+]([O-])=O
BDBM643086 COc1ccc2c(CCNc3ccc(cc3C(O)=O)[N+]([O-])=O)c[nH]c2c1
BDBM643087 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(F)ccc12)[N+]([O-])=O
BDBM643088 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(OC(F)(F)F)ccc12)[N+]([O-])=O
BDBM643089 OC(=O)c1cc(ccc1NCCc1c[nH]c2cc(Br)ccc12)[N+]([O-])=O
BDBM643090 OCc1[nH]c2ccccc2c1CCNc1ccc(cc1C(O)=O)C(F)(F)F
BDBM643091 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(F)(F)F
BDBM643092 OC(=O)c1cc(ccc1NCCc1c[nH]c2ccc(cc12)C#N)C(F)(F)F
BDBM643115 OC(=O)c1ccc(Br)cc1NCCc1c[nH]c2ccccc12
BDBM50406166 C[C@@H](Nc1nc(C)nc2n(C)c(=O)c(cc12)C1CCN(CC1)C(C)=O)c1cc(N)cc(c1)C(F)(F)F |r|
BDBM50404389 CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|
BDBM50450070 Cc1cc(NS(=O)(=O)c2ccc(Nc3nccc(-c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c3C#N)cc2)on1
BDBM50443280 CC(C)(C)c1coc(CSc2cnc(NC(=O)C3CCNCC3)s2)n1
BDBM50443282 C[C@@H](CO)Nc1nc(N)c(c(OCC2CCCCC2)n1)[N+](\[O-])=N\C#N |r|
BDBM50450069 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccc(C)n2)c1C#N
BDBM50443281 C[C@@H](CO)Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 |r|
BDBM50443284 ONC(=O)CCCn1cc(CNC2CC2)c(n1)-c1ccccc1
BDBM50443287 Clc1ccc(cc1)-c1nc(NCCc2ccccc2)nc2c(cnn12)C(=O)NCCc1ccccc1
BDBM50443288 CCOC(=O)c1cnn2c(nc(NCc3ccccc3)nc12)-c1ccc(Cl)cc1
BDBM50404387 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50443285 Fc1ccc(cc1)N1C(=O)CC(=O)N(C(=O)c2ccccc2)C1=S
BDBM50443286 Fc1ccc(cc1)N1C(=O)C(C2C(=O)N(C(=O)c3ccccc3)C(=S)N(C2=O)c2ccc(F)cc2)C(=O)N(C(=O)c2ccccc2)C1=S
BDBM50453711 Nc1c(cnc(NC2CCCCC2)c1[N+]([O-])=O)[N+]([O-])=O
BDBM50450071 [#6]-[#8]-c1ccccc1\[#6]=[#6]\[#6](=[#6](\C#N)C#N)\c1ccc(-[#7]S(=O)(=O)c2ccc(-[#6])cc2)cc1
BDBM50404386 COc1cc(O)c2c(oc(cc2=O)-c2ccc(cc2)N2CCN(C)CC2)c1N1CCNCC1
BDBM50609500 O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
BDBM50609501 O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
BDBM50609502 OC[C@@H](Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
BDBM50443283 ONC(=O)CCCn1cc(CNC2CCCCC2)c(n1)-c1ccccc1
BDBM50609486 N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
BDBM50609487 N[C@@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
BDBM50609488 N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609490 O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609491 O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609492 OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609503 OC[C@H](Cc1ccccc1)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|
BDBM50609504 N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|
BDBM50609493 OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609494 OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
BDBM50609495 OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|
BDBM50609496 NC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|
BDBM50609497 N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|
BDBM50609498 N[C@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|
BDBM50609132 Nc1nonc1-n1nnc(C(=O)\N=N\Cc2ccncc2)c1CN1CCCCC1
BDBM50611755 C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
BDBM50613392 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
BDBM50613393 Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
BDBM50613673 OCCOCCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
BDBM50613674 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50614285 CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccccc1
BDBM50612866 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
BDBM50614286 CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
BDBM50614290 CC1CCCN1c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1
BDBM50614291 Cc1c([nH]c2cc(F)ccc12)C(=O)NCCc1ccc(F)cc1
BDBM50614287 CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NCCc1ccc(cc1)N1CCOCC1
BDBM50614288 CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
BDBM50613394 Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
BDBM50613382 CN(C)CCCNC(=O)Cc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1
BDBM50614289 Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1