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1824 SMILES Strings for Cyclin-dependent kinase 1

Compound NameSMILES String
BDBM47156 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4C)nc2n1C1CCCC1 |r|
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|
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|
BDBM3096 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM4810 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
BDBM5566 Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
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|
BDBM5718 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
BDBM5775 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
BDBM5670 CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)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
BDBM6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
BDBM6619 O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM6763 O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13
BDBM7263 O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
BDBM7266 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7267 Clc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7268 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7270 COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2cc1OC
BDBM7271 COC(=O)Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
BDBM7272 Fc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7273 COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1OC
BDBM7274 Oc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1O
BDBM7275 Cc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7276 Brc1ccc2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
BDBM7277 Brc1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
BDBM7278 Clc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
BDBM7282 OCCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
BDBM7283 Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
BDBM7285 COC(=O)CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
BDBM7286 Cc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
BDBM7507 CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
BDBM7508 Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
BDBM7509 Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
BDBM7510 Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
BDBM7512 CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
BDBM7513 CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
BDBM7514 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
BDBM7515 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM7516 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
BDBM7517 CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
BDBM7518 CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7519 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
BDBM7520 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
BDBM7521 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
BDBM7522 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
BDBM7523 CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7524 C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7525 C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7527 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7314 CC(C)(C)OC(=O)C1c2c(-c3ccccc3N(C(=O)OC(C)(C)C)C1=O)n(C(=O)OC(C)(C)C)c1ccc(Br)cc21
BDBM7303 CC(C)(C)OC(=O)n1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
BDBM7304 Brc1ccc2n(CC=C)c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM7305 Oc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
BDBM7306 Clc1cc(Cl)c2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
BDBM7307 Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
BDBM7308 COc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
BDBM7309 CCN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
BDBM7310 CC(C)(C)OC(=O)C1c2c([nH]c3ccc(Br)cc23)-c2ccccc2N(C(=O)OC(C)(C)C)C1=O
BDBM7311 COc1cccc2-c3[nH]c4ccccc4c3CC(=O)Nc12
BDBM7315 CC(C)(C)OC(=O)N1c2ccccc2-c2c(CC1=O)c1cc(Br)ccc1n2C(=O)OC(C)(C)C
BDBM7288 CCc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
BDBM7289 ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
BDBM7290 Brc1ccc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2c1
BDBM7291 Brc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
BDBM7292 COc1cc2NC(=O)Cc3c([nH]c4ccccc34)-c2cc1OC
BDBM7294 CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
BDBM7296 CCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
BDBM7298 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
BDBM7300 CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
BDBM7301 COc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
BDBM153477 C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21 |t:4|
BDBM7108 O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
BDBM7238 COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7401 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
BDBM7478 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
BDBM7377 CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
BDBM7504 CC(C)n1cnc2c(Cl)nc(I)nc12
BDBM7505 CN(CC=C)c1nc(I)nc2n(C)cnc12
BDBM7573 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
BDBM7574 CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
BDBM7575 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
BDBM7576 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
BDBM7577 CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
BDBM7578 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
BDBM7579 CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
BDBM7580 CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7581 CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
BDBM7582 CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
BDBM7583 CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
BDBM7584 CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM7585 CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7506 CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
BDBM7511 CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
BDBM7553 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1
BDBM7554 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO
BDBM7555 CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7556 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO
BDBM7557 CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7558 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1
BDBM7559 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1
BDBM7560 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCO
BDBM7561 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCCO)nc12
BDBM7562 CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7563 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCO)nc12
BDBM7564 CCC(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM7565 CC(C)n1cnc2c(NCc3ccccc3)nc(CCC(C)(O)c3ccccc3)nc12
BDBM7566 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCO)nc12
BDBM7287 O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
BDBM7491 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
BDBM7297 Brc1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
BDBM7646 CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)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|
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|
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|
BDBM8296 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
BDBM153481 COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C |t:8|
BDBM153482 COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C |c:15|
BDBM153483 COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C |c:14|
BDBM8061 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
BDBM8066 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
BDBM153480 C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21 |t:4|
BDBM9503 FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
BDBM10636 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
BDBM10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
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|
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM14210 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
BDBM15458 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM16591 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM24637 c1cc(n[nH]1)-c1nc2ccccc2[nH]1
BDBM27078 O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
BDBM27216 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
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|
BDBM33218 Nc1ncnc2nc[nH]c12
BDBM36794 CC(C)N1CNc2c1nc(nc2NCc1cccc(c1)C(F)(F)F)N1CCCCC1CCO
BDBM36795 CC(C)N1CNc2c1nc(nc2N(CCN(C)C)Cc1ccccc1)N1CCCCC1CCO
BDBM36796 CC(C)N1CNc2c1nc(nc2NCc1ccc2ccccc2c1)N1CCCCC1CCO
BDBM36797 CC(C)N1CNc2c1nc(nc2Nc1ccccc1)N1CCCCC1CCO
BDBM36798 CC(C)N1CNc2c1nc(nc2Nc1ccc(Cl)cc1)N1CCCCC1CCO
BDBM36800 CCCCNc1nc(nc2N(CNc12)C(C)C)N1CCCCC1CCO
BDBM36801 CC(C)N1CNc2c1nc(nc2NCCCc1ccccc1)N1CCCCC1CCO
BDBM36802 CC(C)N1CNc2c1nc(nc2NCCNc1ccccc1)N1CCCCC1CCO
BDBM36803 CC(C)N1CNc2c1nc(nc2NCCC(c1ccccc1)c1ccccc1)N1CCCCC1CCO
BDBM36804 CCN([C@@H](O)C(C)C)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36805 CC(C)[C@H](O)N(Cc1ccccc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36806 CC(C)[C@H](O)N(Cc1cccc(F)c1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36807 CC(C)[C@H](O)N(Cc1ccc(C)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36808 CC(C)[C@H](O)N(Cc1ccc(F)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36809 CC(C)[C@H](O)N(CC1CCCCC1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36723 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1
BDBM36724 COc1ccccc1Nc1nc(NCCO)nc2N(CNc12)C(C)C
BDBM36725 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1C(F)(F)F
BDBM36726 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1Cl
BDBM36727 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(Cl)cc1Cl
BDBM36728 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc2ccccc2c1
BDBM36729 COc1cccc(Nc2nc(NCCO)nc3N(CNc23)C(C)C)c1
BDBM36730 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(c1)C(F)(F)F
BDBM36731 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Cl)c1
BDBM36732 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(F)c1
BDBM36733 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Br)c1
BDBM36734 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(F)c(Cl)c1
BDBM36735 COc1ccc(CNc2nc(NCCO)nc3N(CNc23)C(C)C)cc1
BDBM36736 CCN(CCO)c1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C
BDBM36737 COc1ccc(CNc2nc(NCC(O)CO)nc3N(CNc23)C(C)C)cc1
BDBM36738 COc1ccc(CNc2nc(NCC(O)CN)nc3N(CNc23)C(C)C)cc1
BDBM36739 COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3N(CNc23)C(C)C)cc1
BDBM36740 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
BDBM36741 COc1ccc(CNc2nc(NC(CO)CO)nc3N(CNc23)C(C)C)cc1
BDBM36742 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(C)CC2)cc1
BDBM36743 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(CCO)CC2)cc1
BDBM36744 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCC(O)CC2)cc1
BDBM36745 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCCC2)cc1
BDBM36746 COc1ccc(CNc2nc(NCCCO)nc3N(CNc23)C(C)C)cc1
BDBM36747 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCO)cc1
BDBM36748 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CC(C)O)CC(C)O)cc1
BDBM36749 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCCO)cc1
BDBM36750 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)Cc2ccccc2)cc1
BDBM36751 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
BDBM36752 COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
BDBM36753 COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
BDBM36754 CC[C@H](CO)Nc1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C |r|
BDBM36755 COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3N(CNc23)C(C)C)cc1 |r|
BDBM36756 COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3N(CNc23)C(C)C)cc1
BDBM36757 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCC2CCO)cc1
BDBM36758 CC(C)N1CNc2c1nc(NCCCO)nc2Nc1cccc(Cl)c1
BDBM36759 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCO
BDBM36760 CC(O)CN(CC(C)O)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C
BDBM36761 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCCO
BDBM36762 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)Cc1ccccc1
BDBM36763 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCN(C)C)Cc1ccccc1
BDBM36764 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36765 CC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36766 CC[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36767 CC(C)C[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36768 CC(C)N1CNc2c1nc(NC1(CO)CCCC1)nc2Nc1cccc(Cl)c1
BDBM36769 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCCCC1CCO
BDBM36770 CC(C)N1CNc2c1nc(NCCN(C)C)nc2Nc1cccc(Cl)c1
BDBM36771 CC(C)N1CNc2c1nc(N[C@@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
BDBM36772 CC(C)N1CNc2c1nc(N[C@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
BDBM36773 CC(C)N1CNc2c1nc(N[C@H](CO)C(C)(C)C)nc2Nc1cccc(Cl)c1 |r|
BDBM36774 CCC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
BDBM36775 CC(C)N1CNc2c1nc(N[C@H](CO)CC1CCCCC1)nc2Nc1cccc(Cl)c1 |r|
BDBM36776 CC(C)N1CNc2c1nc(N[C@H](CO)Cc1ccccc1)nc2Nc1cccc(Cl)c1 |r|
BDBM36777 CC(C)N1CNc2c1nc(N[C@@H]1Cc3ccccc3[C@@H]1O)nc2Nc1cccc(Cl)c1 |r|
BDBM36778 CC(C)N1CNc2c1nc(N[C@H]1Cc3ccccc3[C@H]1O)nc2Nc1cccc(Cl)c1 |r|
BDBM36779 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCC[C@@H]1CO |r|
BDBM36780 CC(C)N1CNc2c1nc(NCc1ccccc1C(F)(F)F)nc2Nc1cccc(Cl)c1
BDBM36781 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccccc2)n1)C(C)C |r|
BDBM36782 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cc(N)cc(Cl)c2)n1)C(C)C |r|
BDBM36783 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(C(O)=O)c(Cl)c2)n1)C(C)C |r|
BDBM36784 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(c2)C(O)=O)n1)C(C)C |r|
BDBM36785 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(F)c(Cl)c2)n1)C(C)C |r|
BDBM36786 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(O)c(c2)C(O)=O)n1)C(C)C |r|
BDBM36787 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(N)c2)n1)C(C)C |r|
BDBM36788 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Br)cc2)n1)C(C)C |r|
BDBM36789 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)cc2)n1)C(C)C |r|
BDBM36790 CC(C)[C@H](CO)Nc1nc2N(CNc2c(NCc2cccc(I)c2)n1)C(C)C |r|
BDBM36791 CC(C)N1CNc2c1nc(nc2NCc1ccccc1)N1CCCCC1CCO
BDBM36792 CC(C)N1CNc2c1nc(nc2NCc1cccc(I)c1)N1CCCCC1CCO
BDBM59130 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
BDBM59131 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
BDBM59142 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1 |w:9.8|
BDBM59148 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
BDBM59149 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1 |w:9.8|
BDBM59150 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1 |w:9.8|
BDBM59102 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12 |w:7.8,t:1|
BDBM59103 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12 |w:7.8,t:1|
BDBM59104 CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1 |w:3.2,c:7|
BDBM59105 CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.11,t:4|
BDBM59106 CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:9.10,t:3|
BDBM59107 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12 |w:7.8,t:1|
BDBM59108 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |w:7.8,t:1|
BDBM59109 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1|
BDBM59110 CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1 |w:11.11,c:21|
BDBM59111 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O |w:7.8,t:1|
BDBM59112 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12 |w:7.8,t:1|
BDBM59113 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O |w:7.8,t:1|
BDBM59114 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12 |w:7.8,t:1|
BDBM59115 CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 |w:3.2,c:7|
BDBM59116 CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:10.11,t:4|
BDBM59117 Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
BDBM65549 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
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
BDBM84532 COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
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|
BDBM148244 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)C3CCNCC3)nc2n1C1CCCC1
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|
BDBM50009001 Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
BDBM50009685 Cn1cnc2c(N)ncnc12
BDBM50009702 Cn1cnc2c(N)nc(Cl)nc12
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|
BDBM50005298 Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O |(3.16,-9.8,;3.62,-8.34,;5.09,-7.85,;5.07,-6.31,;6.21,-5.28,;5.89,-3.79,;4.42,-3.31,;4.09,-1.8,;3.27,-4.35,;3.6,-5.84,;2.71,-7.09,;1.17,-7.1,;.26,-8.36,;-1.21,-7.89,;-2.54,-8.66,;-3.87,-7.89,;-3.87,-6.35,;-2.54,-5.58,;-1.21,-6.35,;.26,-5.86,;.73,-4.39,;-.32,-3.25,)|
BDBM50030961 Cc1nc(N)c2[nH]cnc2n1
BDBM50034220 CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
BDBM50051806 CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
BDBM50051807 C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCOCC1
BDBM50051808 CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
BDBM50051809 CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
BDBM50051810 C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCCCC1
BDBM50051811 C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCOCC1
BDBM50051812 CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
BDBM50051813 CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
BDBM50051814 C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCOC=C)CCOCC1
BDBM50051815 C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCCCC1
BDBM50051816 CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
BDBM50056165 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1nc(-[#7]-[#6]-[#6]-[#8])nc2n(-[#6])cnc12
BDBM50056166 CN1C=Nc2nc[nH]c2C1N |c:2|
BDBM50056167 Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
BDBM50056168 CC(C)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
BDBM50056169 CC(O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
BDBM50056170 Cn1cnc2c(NCc3ccccc3)nc(N)nc12
BDBM50056171 CN1CN=C(N)c2[nH]cnc12 |t:3|
BDBM50056172 Cn1cnc2c(N)nc(NCCO)nc12
BDBM50056173 CN(C1CCCCC1)c1nc(Cl)nc2n(C)cnc12
BDBM50056174 Cn1cnc2c(NCc3ccccc3)nc(Cl)nc12
BDBM50056175 CN1CNc2ncnc(N)c12
BDBM50056176 [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-c1nc(Cl)nc2n(-[#6])cnc12
BDBM50056177 OCCNc1nc(NCc2ccccc2)c2ncn(CCO)c2n1
BDBM50056179 CN1CNc2ncnc(NCc3ccccc3)c12
BDBM50056180 Nc1nc(Cl)nc2nc[nH]c12
BDBM50056181 CN1C=Nc2nc[nH]c2C1NCc1ccccc1 |c:2|
BDBM50056159 CN(C1CCCCC1)c1nc(NCCO)nc2n(C)cnc12
BDBM50056160 Cn1cnc2c(NCc3ccccc3)ncnc12
BDBM50056161 Nc1nc(NCCO)nc2nc[nH]c12
BDBM50056162 CN1CN=C(NCc2ccccc2)c2[nH]cnc12 |t:3|
BDBM50056163 CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM50056164 OCCNc1nc(NCc2ccccc2)c2[nH]cnc2n1
BDBM50073755 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](O)CC3)nc12 |wU:18.18,21.22,(18.21,-17.29,;16.71,-16.96,;16.22,-15.49,;17.13,-14.26,;16.24,-13.02,;14.77,-13.49,;13.44,-12.72,;13.44,-11.18,;14.78,-10.41,;16.11,-11.18,;17.45,-10.41,;17.45,-8.87,;16.11,-8.1,;16.1,-6.56,;14.78,-8.87,;12.11,-13.49,;12.11,-15.03,;10.78,-15.8,;9.43,-15.03,;9.43,-13.49,;8.12,-12.72,;6.77,-13.49,;5.44,-12.72,;6.77,-15.03,;8.12,-15.8,;13.44,-15.8,;14.77,-15.03,)|
BDBM50073756 CCn1cnc2c(Nc3ccc(F)cc3)nc(NCCN)nc12
BDBM50073757 CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;8.52,3.21,;5.86,3.21,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073758 CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
BDBM50073759 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(9.76,-3.77,;8.25,-3.46,;7.77,-1.99,;8.68,-.75,;7.79,.49,;6.32,.02,;4.99,.79,;4.99,2.33,;6.32,3.1,;7.65,2.33,;9,3.1,;9,4.65,;7.65,5.42,;7.65,6.98,;6.32,4.65,;3.66,.02,;3.65,-1.52,;2.31,-2.29,;.97,-1.52,;.98,.02,;-.34,.8,;-1.68,.04,;-3.03,.81,;-1.7,-1.5,;-.37,-2.29,;4.99,-2.3,;6.32,-1.5,)|
BDBM50073760 CCn1cnc2c(Nc3cccc(c3)C#N)nc(NCCN)nc12
BDBM50073761 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCC[C@@H](N)C3)nc12
BDBM50073762 CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
BDBM50073763 CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073764 CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;8.52,3.21,;5.86,3.21,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073765 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073766 CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCCCC1CO
BDBM50073767 CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073769 CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:19.19,22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073770 CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073771 CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073772 CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCN)nc12
BDBM50073773 CCn1cnc2c(Nc3cccc(F)c3)nc(NCCN)nc12
BDBM50073775 CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073776 CCn1cnc2c(Nc3ccc(F)cc3)nc(NCCO)nc12
BDBM50073777 CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CN
BDBM50073778 CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCN)nc12
BDBM50073781 CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073782 CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073783 CCn1cnc2c(Nc3cccc(OC)c3)nc(NCCN)nc12
BDBM50073784 CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073785 CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073786 CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
BDBM50073787 CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073788 CCn1cnc2c(Nc3cccc(F)c3)nc(NCCO)nc12
BDBM50073789 CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:21.21,24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073790 CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:21.21,wD:24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073791 CCn1cnc2c(Nc3cccc(OC)c3)nc(NCCO)nc12
BDBM50073792 CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073793 CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:19.19,22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073794 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073795 CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:21.21,wD:24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073796 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50073797 CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50073798 CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;4.53,2.43,;5.86,3.21,;7.19,2.44,;8.52,3.21,;7.19,.89,;5.86,.12,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
BDBM50079331 CN1CCC([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM50088898 COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
BDBM50088899 COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
BDBM50088900 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
BDBM50088901 Cc1ccccc1-c1cn(-c2ccccc2)c2ncnc(N)c12
BDBM50088902 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
BDBM50088903 COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
BDBM50088904 COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
BDBM50088905 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
BDBM50088906 CNc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
BDBM50088907 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CO
BDBM50088908 COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
BDBM50088909 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
BDBM50088910 Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
BDBM50088911 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CNCCO
BDBM50088912 Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
BDBM50088913 COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
BDBM50088914 CCOC(=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
BDBM50093408 CC(C)n1cnc2c(Nc3ccccc3)nc(I)nc12
BDBM50093389 CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1
BDBM50093392 COc1cccc(CNc2nc(I)nc3n(cnc23)C(C)C)c1
BDBM50093393 CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C\CCCO)nc12
BDBM50093398 Nc1nc(Cl)c2ncn(C3CCCC3)c2n1
BDBM50093402 CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(I)nc12
BDBM50093404 COc1cc(CNc2nc(I)nc3n(cnc23)C(C)C)cc(OC)c1
BDBM50093405 CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(I)nc12
BDBM50093406 CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(I)nc12
BDBM50093410 CCC(C)(O)C#Cc1nc(NCCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
BDBM50093413 COc1ccccc1CNc1nc(I)nc2n(cnc12)C(C)C
BDBM7528 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
BDBM7530 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
BDBM50012188 O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50093418 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC2(O)CCCCCC2)cc1
BDBM50093421 CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(I)nc12
BDBM50093423 CC(C)n1cnc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc(I)nc12
BDBM50093424 CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(nc12)N1CCCC1CO
BDBM50093427 CC(C)n1cnc2c(Nc3cccc(Br)c3)nc(I)nc12
BDBM50093428 COc1ccc(CNc2nc(I)nc3n(cnc23)C(C)C)cc1
BDBM50093429 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCCO
BDBM50099963 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50103203 COc1ccc(cc1O)-c1csc2C(=O)c3cccn3-c12
BDBM50102697 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCCC2)cc1
BDBM50102704 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(C)CC2)cc1
BDBM50106922 COc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
BDBM50105742 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
BDBM50093397 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
BDBM7529 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
BDBM50114585 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
BDBM50113680 CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r|
BDBM50113681 CC(C)[C@H](CO)N(CC1CCCCC1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113682 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
BDBM50113683 CC(C)n1cnc2c(Nc3ccc(Cl)cc3Cl)nc(NCCO)nc12
BDBM50113684 CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
BDBM50113685 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
BDBM50113679 [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12
BDBM50113686 CC(C)[C@H](CO)N(Cc1ccc(F)cc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113687 CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(nc12)N1CCCCC1CCO
BDBM50113688 COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3n(cnc23)C(C)C)cc1
BDBM50113689 CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12
BDBM50113690 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)Cc1ccccc1
BDBM50113691 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)c3ccccc3)nc12
BDBM50113692 CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)c(c2)C(O)=O)c2ncn(C(C)C)c2n1
BDBM50113693 CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(N)c2)c2ncn(C(C)C)c2n1
BDBM50113694 COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1
BDBM50113695 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
BDBM50113696 CC(C)C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113697 CC(C)n1cnc2c(Nc3ccc(F)c(Cl)c3)nc(NCCO)nc12
BDBM50113698 CCCCNc1nc(nc2n(cnc12)C(C)C)N1CCCCC1CCO
BDBM50113699 CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO
BDBM50113700 CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCCCC1CCO
BDBM50113701 CCN([C@@H](CO)C(C)C)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113702 CC(C)[C@H](CO)N(Cc1ccccc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113703 CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C(C)C)c2n1
BDBM50113704 CCC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113705 CC(C)[C@H](CO)N(Cc1ccc(C)cc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113707 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
BDBM50113708 CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCCCC1CCO
BDBM50113709 CCN(CCO)c1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
BDBM50113710 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)c3ccccc3)nc12
BDBM50113711 CC(C)n1cnc2c(Nc3cccc(F)c3)nc(NCCO)nc12
BDBM50113712 CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCCCC1CCO
BDBM50113713 COc1ccc(CNc2nc(NCC(O)CN)nc3n(cnc23)C(C)C)cc1
BDBM50113714 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3C(F)(F)F)nc12
BDBM50113715 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc12
BDBM50113716 CC(C)n1cnc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc12
BDBM50113717 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)CC3CCCCC3)nc12
BDBM50113718 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCN(C)C)Cc1ccccc1
BDBM50113719 CC(C)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)nc(nc12)N1CCCCC1CCO
BDBM50113720 COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3n(cnc23)C(C)C)cc1
BDBM50113721 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3[C@@H](O)Cc4ccccc34)nc12
BDBM50113722 COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3n(cnc23)C(C)C)cc1
BDBM50113723 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1
BDBM50113724 CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
BDBM50113725 CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(c2)C(O)=O)c2ncn(C(C)C)c2n1
BDBM50113726 CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(nc12)N1CCCCC1CCO
BDBM50113727 COc1ccc(CNc2nc(NCCO)nc3n(cnc23)C(C)C)cc1
BDBM50113728 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc12
BDBM50113729 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCO
BDBM50113730 CC(C)[C@H](CO)Nc1nc(Nc2ccc(N)c(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113731 COc1cccc(Nc2nc(NCCO)nc3n(cnc23)C(C)C)c1
BDBM50113732 COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1
BDBM50113733 CC(C)[C@H](CO)N(Cc1cccc(F)c1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113734 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3[C@H](O)Cc4ccccc34)nc12
BDBM50113735 COc1ccccc1Nc1nc(NCCO)nc2n(cnc12)C(C)C
BDBM50113736 COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1
BDBM50113737 COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1
BDBM50113738 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO
BDBM50113739 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1
BDBM50113740 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)Cc2ccccc2)cc1
BDBM50113741 CC(C)n1cnc2c(NCCCc3ccccc3)nc(nc12)N1CCCCC1CCO
BDBM50113742 CC(C)n1cnc2c(Nc3ccccc3C(F)(F)F)nc(NCCO)nc12
BDBM50113743 CC(C)n1cnc2c(Nc3cccc(Br)c3)nc(NCCO)nc12
BDBM50113744 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCCCC1CCO
BDBM50113745 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12
BDBM50113746 CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113747 CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
BDBM50113748 CC(C)n1cnc2c(NCc3ccc4ccccc4c3)nc(nc12)N1CCCCC1CCO
BDBM50113749 CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)c2ncn(C(C)C)c2n1
BDBM50113750 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCC2CCO)cc1
BDBM50113751 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCCO)cc1
BDBM50113752 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc12
BDBM50113753 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(CCO)CC2)cc1
BDBM50113754 CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1
BDBM50113755 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)Cc3ccccc3)nc12
BDBM50113756 CC(C)n1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCO)nc12
BDBM50113757 COc1ccc(CNc2nc(NCCCO)nc3n(cnc23)C(C)C)cc1
BDBM50119279 COc1ccc2sc3c(NC[C@H](C)NC3=O)c2c1
BDBM50119283 COc1ccc2sc3c(NCCNC3=O)c2c1
BDBM50119286 COc1ccc2sc3c(SCCNC3=O)c2c1
BDBM50119298 COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
BDBM7526 CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50121980 O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
BDBM50120508 CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc12
BDBM50129555 C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N |c:10,t:12|
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|
BDBM50132003 Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
BDBM50132188 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1
BDBM50132189 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(n(C(C)C)c2n1)[N+]([O-])=O
BDBM50132190 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Cl)n(C(C)C)c2n1
BDBM50132191 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1
BDBM50132192 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
BDBM50132193 CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1
BDBM50132194 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(NCCCO)n(C(C)C)c2n1
BDBM50132195 CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=O)n(C(C)C)c2n1
BDBM50132196 CCC(CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1
BDBM50132197 CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=S)n(C(C)C)c2n1
BDBM50132198 CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)|
BDBM50132199 CCC(CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1
BDBM50132200 CCCOc1nc2c(NCc3ccccc3)nc(NC(CC)CO)nc2n1C(C)C
BDBM50132151 Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
BDBM50132310 CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
BDBM50139822 Oc1cc2cccc[n+]2c2c(Cl)cccc12
BDBM50027332 NS(=O)(=O)c1ccc(cc1)\N=N\c1c(O)[nH]c2cccc(I)c12
BDBM50148690 OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
BDBM50148692 CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
BDBM50148694 CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
BDBM50162990 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
BDBM50162991 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
BDBM50162993 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
BDBM50162994 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
BDBM50162996 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
BDBM50162998 CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|
BDBM50164691 COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
BDBM50164692 Fc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164693 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
BDBM50164694 Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164695 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164696 FC(F)(F)c1cnc(Nc2ccc(NC#N)c(NC#N)c2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164697 FC(F)(F)c1cnc(Nc2ccccc2Cl)nc1Nc1ccc2nc[nH]c2c1
BDBM50164698 Fc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
BDBM50164699 COc1cccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)c1
BDBM50164700 COc1cccc(Sc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)c1
BDBM50164701 CN(c1cccc(Cl)c1)c1ncc(c(Nc2ccc3nc[nH]c3c2)n1)C(F)(F)F
BDBM50164702 NS(=O)(=O)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1
BDBM50164703 FC(F)(F)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1
BDBM50164704 FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164705 Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2OCOc2c1
BDBM50164706 Cc1ccccc1Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
BDBM50164707 Clc1cccc(CNc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)c1Cl
BDBM50164708 Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Oc2cccnc2)cc1
BDBM50164709 Brc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
BDBM50164710 Clc1cccc(Nc2ncc(Br)c(Nc3ccc4nc[nH]c4c3)n2)c1
BDBM50164711 Fc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)cc1
BDBM50164712 FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164713 Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCc2ccccc12
BDBM50164714 CCOc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
BDBM50164715 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Oc1ccc(Br)cc1
BDBM50164716 FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
BDBM50164717 Fc1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
BDBM50164718 Brc1cnc(Nc2ccc(Oc3cccnc3)cc2)nc1Nc1ccc2nc[nH]c2c1
BDBM50164719 N(c1ccc2nc[nH]c2c1)c1ccnc(Nc2ccc3nc[nH]c3c2)n1
BDBM50164720 Cc1ccccc1Sc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
BDBM50164721 Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCCc2ccccc12
BDBM50164722 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1OC1CCCCC1
BDBM50164723 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Oc1ccc(Cl)cc1
BDBM50164724 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1cccc(Cl)c1
BDBM50164725 FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Cl)cc1
BDBM50164726 CC(C)COc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
BDBM50164727 Cc1cccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)c1
BDBM50164728 FC(F)(F)c1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
BDBM50164729 N(c1ccc2[nH]ccc2c1)c1ccnc(Nc2ccc3[nH]ccc3c2)n1
BDBM50164730 CC(C)Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
BDBM50169892 OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
BDBM50169893 OCCCNc1cncc(c1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50169894 OCCCNc1cncc(n1)-c1ncnc(Nc2cccc(Cl)c2)n1
BDBM50169895 OCCCNc1cncc(c1)-c1ncnc(Nc2cccc(Cl)c2)n1
BDBM50169896 OCCCNc1cncc(c1)-c1ncnc(Nc2ccc3OCCOc3c2)n1
BDBM50169897 Nc1nc(Nc2cccc(Cl)c2)nc(n1)-c1ccnc(NCCCO)c1
BDBM50252764 Cl.Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
BDBM50252728 Cl.Cl.OCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
BDBM50252730 Cl.Cl.COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
BDBM50179207 COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
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
BDBM50186072 CC(C)NC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
BDBM50186073 CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
BDBM50186082 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NC(C)C
BDBM50186084 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
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
BDBM50191405 Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
BDBM50197834 COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
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
BDBM50200804 Cc1cc(N2CCCS2(=O)=O)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
BDBM50200809 Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1
BDBM50204693 Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
BDBM50204694 O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
BDBM50204134 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1
BDBM50202760 c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50205472 O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
BDBM50205475 OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
BDBM50205477 O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
BDBM50205363 C(Nc1ncnc2nc[nH]c12)c1ccccc1
BDBM50205468 NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
BDBM50206269 CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(Br)c2)ncc1Cl
BDBM50206270 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3cc[nH]c23)cc1
BDBM50206271 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCCC3)cc2)ncc1Cl
BDBM50206272 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)cc1
BDBM50206273 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)cc1
BDBM50206274 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2n[nH]c3ccccc23)cc1
BDBM50206275 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccs2)cc1
BDBM50206276 CCN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc4cc[nH]c4c3)cc2)CC1
BDBM50206277 CNCCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
BDBM50206278 CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
BDBM50206279 Clc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1
BDBM50206280 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1Cl
BDBM50206281 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
BDBM50206282 CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc2)CC1
BDBM50206283 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1Cl
BDBM50206284 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3[nH]ccc3c2)cc1
BDBM50206285 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
BDBM50206286 CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)cc1
BDBM50208879 Nc1nc(N)c2[nH]cnc2n1
BDBM50212012 N#Cc1cnc(Nc2nc3ccccc3[nH]2)nc1-c1ccccc1
BDBM50212013 CC(C)(O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
BDBM50212014 CCc1nccn1CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
BDBM50212015 N#Cc1cnc(Nc2ccc3ccccc3c2)nc1-c1ccccc1
BDBM50212016 COc1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
BDBM50212017 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc3[nH]ccc3c2)cc1
BDBM50212018 Clc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
BDBM50212019 COc1cccc(Nc2ncc(C#N)c(n2)-c2ccccc2)c1
BDBM50212020 N#Cc1cnc(Nc2ncccn2)nc1-c1ccccc1
BDBM50212021 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cccs2)cc1
BDBM50212022 NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
BDBM50212023 Cc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
BDBM50212024 CC(C)(C)c1nc(Nc2ccc(CCO)cc2)ncc1C#N
BDBM50212025 COc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
BDBM50212026 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2nc3ccccc3s2)cc1
BDBM50212027 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(Br)cc2)cc1
BDBM50212028 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
BDBM50212029 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N
BDBM50212030 N#Cc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccccc1
BDBM50212031 O=C(CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1)N1CCOCC1
BDBM50212032 Cc1cc2cc(Nc3ncc(C#N)c(n3)-c3ccccc3)ccc2[nH]1
BDBM50212033 CN1CCN(CCc2ccc(Nc3ncc(C#N)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
BDBM50212034 CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1C#N
BDBM50212035 COc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
BDBM50212036 COc1cc(Nc2ncc(C#N)c(n2)-c2ccccc2)ccc1CN1CCCC1
BDBM50212037 Clc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
BDBM50212038 N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1
BDBM50212039 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1C#N
BDBM50212040 CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
BDBM50212041 N#Cc1cnc(Nc2ccccc2)nc1-c1ccccc1
BDBM50212042 OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1
BDBM50212043 N#Cc1cnc(Nc2ccc(CN3CCCC3)cc2)nc1-c1ccccc1
BDBM50214095 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
BDBM50214096 CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214097 Cc1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214098 CC(C)NCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214099 CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1
BDBM50214100 CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214101 COCc1cccc2nc([nH]c12)-c1nn(C)c2ncc(cc12)-c1cncc2ccccc12
BDBM50214102 OCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214103 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cnc2ccccc2c1
BDBM50214104 COC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214105 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1ccncc1
BDBM50214106 CC(C)OCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214107 CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1
BDBM50214108 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
BDBM50214109 OC(=O)c1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214110 C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214111 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214112 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncnc1
BDBM50214113 CCN(CC)C(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214114 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc(CN(C)C)c1
BDBM50214115 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1
BDBM50214116 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cccnc1
BDBM50214117 CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1
BDBM50214118 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cccc(COC)c5[nH]4)c3c2)c1C
BDBM50214119 CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cccc(COC)c4[nH]3)c2c1
BDBM50214120 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50217191 NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50216157 O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
BDBM50218700 COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
BDBM50218709 COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
BDBM50222913 CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50229973 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
BDBM50240447 COc1ccc(cc1OC)-c1coc2C(=O)c3cccn3-c12
BDBM50240449 COc1ccc(cc1OCc1ccccc1)-c1csc2C(=O)c3cccn3-c12
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
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
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
BDBM50237860 Nc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
BDBM50237861 Clc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237863 Brc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50237865 Fc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
BDBM50232227 OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50232232 CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
BDBM50232239 Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
BDBM50232240 CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
BDBM50232241 OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50252726 OCCN(CCO)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252727 CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
BDBM50252767 Cl.Cl.OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
BDBM50252949 BrCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252950 OCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252951 OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252975 CCN(CC)C(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252976 CN(C)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252977 CCN(CC)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
BDBM50252978 Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1
BDBM50252979 Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1
BDBM50264549 CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
BDBM50264550 CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
BDBM50264551 OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
BDBM50264576 OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264577 O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
BDBM50264578 O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
BDBM50264579 O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
BDBM50264580 COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264613 O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
BDBM50264611 Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
BDBM50264612 O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
BDBM50245386 CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50245407 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
BDBM50245408 COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245409 COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245410 CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245423 Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
BDBM50245458 OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50245459 Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
BDBM50242173 O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50244787 CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
BDBM50245304 CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50245343 CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50245363 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
BDBM50245364 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
BDBM50245442 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
BDBM50245443 COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245445 NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245471 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
BDBM50245472 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
BDBM50261491 [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1
BDBM50262500 COc1cc(O)c(cc1CN1CCCC1)C(=O)\C=C\c1ccccc1
BDBM50245692 CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50262389 CN(C)Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50262390 Oc1c(O)c(CN2CCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262391 Oc1c(O)c(CN2CCCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262442 Oc1c(O)c(CN2CCOCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262443 Oc1c(O)c(CN2CCSCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262444 CN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50262445 COC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O |r|
BDBM50262446 COc1cc(O)c(cc1CN(C)C)C(=O)\C=C\c1ccccc1
BDBM50262501 COc1cc(O)c(cc1CN1CCCCC1)C(=O)\C=C\c1ccccc1
BDBM50262502 COc1cc(O)c(cc1CN1CCOCC1)C(=O)\C=C\c1ccccc1
BDBM50262503 COc1cc(O)c(cc1CN1CCSCC1)C(=O)\C=C\c1ccccc1
BDBM50262504 COc1cc(O)c(cc1CN1CCN(C)CC1)C(=O)\C=C\c1ccccc1
BDBM50262558 CN(C)Cc1c(O)cc(O)c2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50262559 Oc1ccc(cc1O)-c1oc2c(CN3CCCCC3)c(O)cc(O)c2c(=O)c1O
BDBM50262560 Oc1ccc(cc1O)-c1oc2c(CN3CCOCC3)c(O)cc(O)c2c(=O)c1O
BDBM50262561 CN1CCN(Cc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)CC1
BDBM50263132 Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
BDBM50256043 NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1|
BDBM50245525 Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
BDBM50245620 Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
BDBM50245523 NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50256044 NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|
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|
BDBM50245912 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)NC2CC2)n1 |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
BDBM50246466 C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
BDBM50246253 CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
BDBM50247417 CCCCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
BDBM50247418 CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
BDBM50247419 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
BDBM50247431 CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
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|
BDBM50247372 CCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
BDBM50247391 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OC(C)C
BDBM50247392 CCCCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
BDBM50247393 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
BDBM50247394 CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
BDBM50247395 CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
BDBM50247396 CC(C)OC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
BDBM50269842 Cn1c2c(NCCS(O)(=O)=O)ncnc2[nH]c1=O
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|
BDBM50267719 CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
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|
BDBM50267107 Clc1ccc(cc1)-c1c[nH]c2C(=O)c3cccn3-c12
BDBM50267351 Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccn1 |w:6.5|
BDBM50269948 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
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|
BDBM50267160 COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(N=O)c3cccn3-c12
BDBM50267161 COc1ccc(cc1O)-c1c[nH]c2C(N=O)c3cccn3-c12
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|
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|
BDBM50267108 COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(=O)c3cccn3-c12
BDBM50267109 COc1ccc(cc1O)-c1c[nH]c2C(=O)c3cccn3-c12
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|
BDBM50278499 NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4c(F)cccc4F)c3s2)cc1
BDBM50279080 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279044 NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|
BDBM50279045 COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
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,)|
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|
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|
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|
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|
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|
BDBM50290834 COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
BDBM50023867 Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12|
BDBM50277583 Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50295351 CCCCc1c(-c2ccc(O)cc2)n(C)c2nccnc12
BDBM50295602 Cc1nnc2sc(nn12)-c1ccc(N)cc1
BDBM50295603 Nc1ccc(cc1)-c1nn2c(Cc3ccccc3)nnc2s1
BDBM50295604 Nc1nc(O)c(Cc2nn3c(Cc4ccccc4)nnc3s2)s1
BDBM50297142 C[C@@H]1CNc2c(sc3ccc(O)cc23)C(=O)N1 |r|
BDBM50297143 COc1cccc(COc2ccc3sc4c(NC[C@@H](C)NC4=O)c3c2)c1 |r|
BDBM50297144 C[C@@H]1CNc2c(sc3ccc(OCC4CC4)cc23)C(=O)N1 |r|
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
BDBM50297113 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cccnc2)C(=O)N1 |r|
BDBM50297114 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r|
BDBM50297115 COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
BDBM50297116 COc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
BDBM50297117 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2F)C(=O)N1 |r|
BDBM50297118 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2C)C(=O)N1 |r|
BDBM50297119 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cnccc2C)C(=O)N1 |r|
BDBM50297123 C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r|
BDBM50297124 C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r|
BDBM50297125 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2)C(=O)N1 |r|
BDBM50297126 C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccncc2)C(=O)N1 |r|
BDBM50297136 CCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
BDBM50297137 CCCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
BDBM50297138 COc1ccc2sc3c(NC[C@@H](CNCc4ccccc4)NC3=O)c2c1 |r|
BDBM50297141 COc1ccc2sc3c(NC[C@@H](CN(C)Cc4ccccc4)NC3=O)c2c1 |r|
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
BDBM50297145 COCCOc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50297146 CC(C)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50297147 COC(=O)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50305146 NC(=O)c1c(N)c([nH]c1-c1ccc(Oc2ccccc2)cc1)C(=O)c1c(F)cccc1F
BDBM50305126 CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
BDBM50295619 Cc1nnc2sc(SSc3nn4c(C)nnc4s3)nn12
BDBM50295620 Cc1nnc2sc(NN)nn12
BDBM50295621 Cc1nnc2sc(S)nn12
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50297120 C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 |r|
BDBM50297121 C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 |r|
BDBM50297122 C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
BDBM50297149 COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1 |r|
BDBM50297150 COc1ccc2sc3c(CCCNC3=O)c2c1
BDBM50297151 COc1ccc2sc3c(NC[C@@H](CN)NC3=O)c2c1 |r|
BDBM50295600 NNc1nn2c(COc3ccc(Cl)cc3)nnc2s1
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
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|
BDBM50306874 Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
BDBM50306888 COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
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
BDBM50315888 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
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
BDBM50321461 Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
BDBM50325983 Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
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|
BDBM50326170 CCN(CCO)CCCNc1ccnc2cc(Cl)ccc12
BDBM50326171 COC(=O)c1cc(NC(C)=O)ccc1S(=O)(=O)c1ccc(NC(C)=O)cc1C(=O)OC
BDBM50326206 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50326061 OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
BDBM50326172 OCCNC(=S)Nc1ccc(cc1)C(F)(F)F
BDBM50326173 Cc1cc2[nH]c(=S)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C |r|
BDBM50326174 OCCSC(=S)Nc1ccc(Cl)c(Cl)c1
BDBM50326175 OCCCNC(=O)c1cc(Cl)ccc1O
BDBM50326176 OCCN(CCO)Cc1cc(Cl)c2cccnc2c1O
BDBM50326177 Oc1ccc(CCCCCCc2ccc(O)c(C=O)c2)cc1C=O
BDBM50326178 C[C@@H](COc1ccccc1)N[C@@H](C)[C@@H](O)c1ccc(O)cc1 |r|
BDBM50326179 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1
BDBM50313661 CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
BDBM50313696 CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50312933 N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
BDBM50313013 Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
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|
BDBM50347389 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
BDBM50359819 COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
BDBM50363196 CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
BDBM50359807 C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N |r|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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|
BDBM50361196 CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
BDBM50374065 OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50374066 CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
BDBM50374067 Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
BDBM50374071 Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
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
BDBM50375644 OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
BDBM50375651 COc1cc(OC)c(\C=C2/C(=O)Nc3ccccc23)c(OC)c1
BDBM50378211 N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-2.35,-19.99,;-2.35,-18.45,;-1.02,-17.67,;-1.02,-16.13,;-2.36,-15.36,;-3.69,-16.14,;-3.68,-17.67,;-2.36,-13.82,;-1.03,-13.05,;-1.03,-11.51,;.29,-10.74,;.29,-9.2,;-1.05,-8.43,;-2.38,-9.21,;-2.37,-10.76,;-3.71,-11.53,;-5.04,-10.76,;-5.04,-9.22,;-3.71,-8.45,;-6.38,-11.53,;-7.71,-10.76,;-9.04,-11.52,;-9.04,-13.07,;-7.7,-13.84,;-6.37,-13.06,;1.63,-11.49,;3.09,-11.01,;4,-12.24,;3.11,-13.49,;3.9,-14.81,;3.31,-16.22,;4.47,-17.23,;5.79,-16.44,;5.44,-14.94,;1.65,-13.03,;.31,-13.81,)|
BDBM50377970 OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r|
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|
BDBM50378826 O=C(Nc1cc(c[nH]1)C1CCC1)Nc1cccc2ccncc12
BDBM50378827 CC12CC(C)(C)NC(=S)N1c1ccc(cc1N2)-c1ccc2N3C(=S)NC(C)(C)CC3(C)Nc2c1
BDBM50378818 C1c2ccccc2-c2[nH]nc(c12)-c1ccncc1
BDBM50379488 CNC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379489 Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
BDBM50379490 Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
BDBM50379491 Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
BDBM50379492 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r|
BDBM50379493 CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379494 C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379495 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
BDBM50379496 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50379497 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
BDBM50379498 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r|
BDBM50379499 COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379500 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
BDBM50379501 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO |r|
BDBM50379502 COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
BDBM50379503 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
BDBM50379504 CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12
BDBM50379505 Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O
BDBM50379506 Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)|
BDBM50379507 Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
BDBM50379508 Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
BDBM50379081 CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
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|
BDBM50399301 O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
BDBM50252729 Cl.Cl.Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1
BDBM50384165 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
BDBM50384166 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
BDBM50384167 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
BDBM50384168 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
BDBM50384169 CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384170 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C
BDBM50384171 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
BDBM50384172 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C
BDBM50384173 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C
BDBM50384174 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C
BDBM50384175 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C
BDBM50384176 CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384177 CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
BDBM50384178 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CO)n(C4CCCC4)c3n2)cn1C
BDBM50384179 CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(O)=O)n(C4CCCC4)c3n2)cn1C
BDBM50388876 Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
BDBM50388877 O[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(29.96,-30.16,;29.85,-28.62,;29.57,-27.1,;27.75,-27.13,;26.77,-26.34,;27.05,-27.87,;28.79,-27.81,;25.98,-25.03,;26.73,-23.68,;28.27,-23.66,;29.01,-22.3,;30.55,-22.27,;28.22,-20.99,;26.69,-21.02,;25.94,-22.36,;25.9,-19.71,;24.37,-19.57,;24.02,-18.07,;25.34,-17.28,;25.64,-15.76,;27.1,-15.27,;28.26,-16.29,;27.96,-17.79,;26.5,-18.29,)|
BDBM50388878 O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
BDBM50388879 CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:6.9,wD:3.2,(39.49,-29.31,;40.58,-28.23,;42.07,-28.64,;40.19,-26.75,;39.91,-25.24,;38.09,-25.26,;37.12,-24.48,;37.39,-26,;39.14,-25.95,;36.32,-23.16,;37.07,-21.81,;38.61,-21.79,;39.36,-20.43,;40.9,-20.4,;38.56,-19.12,;37.03,-19.15,;36.28,-20.5,;36.25,-17.83,;34.71,-17.7,;34.37,-16.2,;35.69,-15.41,;35.99,-13.89,;37.45,-13.39,;38.6,-14.42,;38.3,-15.92,;36.85,-16.42,)|
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
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50409027 CC(C)n1cnc2c(NC(CO)c3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50409028 CC(C)n1cnc2c(NC(CO)c3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
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
BDBM50401614 COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
BDBM50401617 CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
BDBM50400802 Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2
BDBM50400803 Brc1cnc(Nc2ccccc2)nc1NCC#N
BDBM50404281 C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
BDBM50401965 CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
BDBM50441567 CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
BDBM50434339 COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1
BDBM50434347 COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1
BDBM50434353 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
BDBM50434356 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
BDBM50443366 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
BDBM50437236 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
BDBM50437237 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(24.84,-23.83,;23.3,-23.84,;22.54,-25.18,;21.01,-25.19,;20.24,-23.86,;20.98,-22.52,;22.52,-22.51,;18.7,-23.88,;17.91,-22.55,;16.37,-22.56,;15.59,-21.23,;14.04,-21.24,;13.25,-19.91,;11.71,-19.93,;10.95,-21.27,;9.41,-21.28,;8.62,-19.96,;9.38,-18.63,;10.93,-18.6,;7.09,-19.98,;6.3,-18.66,;4.77,-18.67,;4.01,-20.02,;4.81,-21.34,;6.34,-21.32,;7.13,-22.64,;16.33,-19.88,;15.84,-18.42,;17.08,-17.51,;18.34,-18.39,;19.81,-17.89,;21.06,-18.79,;22.3,-17.86,;21.8,-16.39,;20.26,-16.42,;17.88,-19.86,;18.67,-21.2,)|
BDBM50437238 CC(C)(O)CNc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1
BDBM50437239 OC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(25.33,-11.47,;23.8,-11.48,;23.03,-12.82,;21.49,-12.83,;20.72,-11.49,;21.47,-10.15,;23.01,-10.15,;19.18,-11.51,;18.39,-10.18,;16.85,-10.2,;16.08,-8.86,;14.53,-8.88,;13.74,-7.55,;12.2,-7.57,;11.42,-6.24,;9.88,-6.27,;9.13,-7.6,;9.91,-8.92,;11.45,-8.91,;7.59,-7.63,;6.68,-6.4,;5.22,-6.89,;5.24,-8.43,;6.71,-8.88,;16.82,-7.52,;16.33,-6.06,;17.56,-5.15,;18.82,-6.03,;20.28,-5.54,;21.54,-6.43,;22.78,-5.5,;22.28,-4.04,;20.73,-4.07,;18.36,-7.5,;19.15,-8.83,)|
BDBM50437240 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(53.08,-48.13,;51.54,-48.14,;50.77,-49.48,;49.24,-49.49,;48.47,-48.15,;49.21,-46.81,;50.76,-46.81,;46.92,-48.17,;46.14,-46.84,;44.59,-46.86,;43.82,-45.52,;42.28,-45.54,;41.49,-44.21,;39.94,-44.23,;39.16,-42.9,;37.62,-42.93,;36.87,-44.26,;37.65,-45.58,;39.19,-45.57,;35.33,-44.29,;34.42,-43.06,;32.96,-43.55,;32.98,-45.09,;34.45,-45.54,;44.56,-44.18,;44.07,-42.72,;45.3,-41.81,;46.56,-42.69,;48.03,-42.2,;49.28,-43.09,;50.52,-42.16,;50.02,-40.7,;48.48,-40.73,;46.1,-44.16,;46.9,-45.49,)|
BDBM50437241 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(27.37,-48.83,;25.84,-48.84,;25.07,-50.18,;23.53,-50.19,;22.76,-48.86,;23.5,-47.52,;25.05,-47.51,;21.22,-48.87,;20.43,-47.54,;18.89,-47.56,;18.11,-46.23,;16.57,-46.24,;15.78,-44.91,;14.24,-44.93,;13.46,-43.6,;11.92,-43.63,;11.16,-44.96,;11.95,-46.28,;13.49,-46.27,;9.63,-44.99,;8.71,-43.76,;7.26,-44.25,;7.28,-45.79,;8.75,-46.24,;18.86,-44.88,;18.37,-43.42,;19.6,-42.51,;20.86,-43.39,;22.32,-42.9,;23.58,-43.79,;24.81,-42.86,;24.32,-41.4,;22.77,-41.43,;20.4,-44.87,;21.19,-46.2,)|
BDBM50437242 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(47.14,-38.08,;45.61,-38.09,;44.84,-39.43,;43.3,-39.44,;42.53,-38.1,;43.28,-36.76,;44.82,-36.76,;40.99,-38.12,;40.2,-36.79,;38.66,-36.8,;37.89,-35.47,;36.34,-35.49,;35.55,-34.16,;34.01,-34.18,;33.23,-32.85,;31.69,-32.88,;30.94,-34.21,;31.72,-35.53,;33.26,-35.52,;29.4,-34.24,;28.49,-33.01,;27.03,-33.5,;27.05,-35.04,;28.52,-35.49,;38.63,-34.13,;38.14,-32.67,;39.37,-31.76,;40.63,-32.64,;42.09,-32.15,;43.35,-33.04,;44.59,-32.11,;44.09,-30.65,;42.54,-30.68,;40.17,-34.11,;40.96,-35.44,)|
BDBM50437243 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(24.06,-37.61,;22.53,-37.62,;21.76,-38.97,;20.22,-38.98,;19.45,-37.64,;20.2,-36.3,;21.74,-36.29,;17.91,-37.65,;17.12,-36.33,;15.58,-36.34,;14.8,-35.01,;13.26,-35.03,;12.47,-33.7,;10.93,-33.71,;10.15,-32.39,;8.61,-32.41,;7.85,-33.75,;8.64,-35.06,;10.18,-35.05,;6.32,-33.77,;5.4,-32.54,;3.95,-33.03,;3.97,-34.57,;5.44,-35.02,;15.55,-33.67,;15.06,-32.21,;16.29,-31.29,;17.55,-32.18,;19.01,-31.68,;20.27,-32.58,;21.5,-31.65,;21.01,-30.18,;19.46,-30.21,;17.09,-33.65,;17.88,-34.98,)|
BDBM50437244 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(50.46,-26.34,;48.93,-26.35,;48.16,-27.69,;46.62,-27.7,;45.85,-26.37,;46.59,-25.03,;48.14,-25.02,;44.31,-26.38,;43.52,-25.05,;41.98,-25.07,;41.2,-23.74,;39.66,-23.75,;38.87,-22.42,;37.33,-22.44,;36.55,-21.11,;35,-21.14,;34.25,-22.47,;35.03,-23.79,;36.57,-23.78,;32.72,-22.49,;31.93,-21.17,;30.4,-21.18,;29.65,-22.53,;30.44,-23.85,;29.69,-25.19,;31.97,-23.83,;41.94,-22.39,;41.46,-20.93,;42.69,-20.02,;43.95,-20.9,;45.41,-20.41,;46.66,-21.3,;47.9,-20.37,;47.4,-18.91,;45.86,-18.94,;43.49,-22.37,;44.28,-23.7,)|
BDBM50437245 COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cn1 |(6.55,-25.57,;7.3,-24.23,;6.51,-22.91,;4.98,-22.93,;4.18,-21.61,;4.94,-20.27,;6.47,-20.25,;7.25,-21.58,;8.79,-21.56,;9.54,-20.23,;11.08,-20.2,;11.86,-21.52,;13.41,-21.51,;14.2,-22.84,;15.74,-22.82,;16.51,-24.15,;18.06,-24.14,;18.85,-25.47,;20.39,-25.45,;21.16,-26.79,;22.7,-26.78,;23.47,-25.44,;25,-25.43,;22.68,-24.1,;21.13,-24.11,;18.82,-22.79,;18.02,-21.46,;18.49,-19.99,;17.22,-19.1,;15.99,-20.02,;16.48,-21.48,;19.95,-19.49,;21.2,-20.39,;22.44,-19.46,;21.94,-17.99,;20.4,-18.02,;11.11,-22.86,;9.57,-22.88,)|
BDBM50437246 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(48.32,-13.22,;46.78,-13.23,;46.01,-14.57,;44.48,-14.58,;43.7,-13.24,;44.45,-11.9,;46,-11.89,;42.16,-13.26,;41.37,-11.93,;39.83,-11.94,;39.06,-10.61,;37.51,-10.63,;36.72,-9.3,;35.18,-9.31,;34.4,-7.99,;32.86,-8.02,;32.1,-9.35,;32.89,-10.67,;34.43,-10.65,;30.57,-9.37,;29.79,-8.04,;28.26,-8.06,;27.5,-9.4,;28.29,-10.73,;29.83,-10.7,;30.61,-12.02,;39.8,-9.27,;39.31,-7.81,;40.54,-6.9,;41.8,-7.78,;43.26,-7.28,;44.52,-8.18,;45.76,-7.25,;45.26,-5.79,;43.71,-5.81,;41.34,-9.25,;42.14,-10.58,)|
BDBM50437247 CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C3CCCC3)c2n1 |r|
BDBM50437248 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(47.04,-25.04,;45.5,-25.04,;44.73,-26.39,;43.2,-26.4,;42.42,-25.06,;43.17,-23.72,;44.72,-23.71,;40.88,-25.08,;40.09,-23.75,;38.55,-23.76,;37.78,-22.43,;36.23,-22.45,;35.44,-21.12,;33.9,-21.13,;33.15,-22.47,;31.61,-22.49,;30.82,-21.17,;31.58,-19.83,;33.12,-19.81,;29.29,-21.18,;28.51,-19.86,;26.98,-19.88,;26.22,-21.22,;27.01,-22.54,;28.55,-22.52,;29.33,-23.84,;38.52,-21.09,;38.03,-19.63,;39.26,-18.71,;40.52,-19.6,;41.99,-19.1,;43.24,-20,;44.48,-19.07,;43.98,-17.6,;42.43,-17.63,;40.06,-21.07,;40.86,-22.4,)|
BDBM50437249 COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cc1 |(5.27,-37.39,;6.02,-36.05,;5.23,-34.73,;3.7,-34.75,;2.9,-33.43,;3.66,-32.09,;5.19,-32.07,;5.98,-33.4,;7.51,-33.38,;8.29,-34.7,;9.83,-34.68,;10.58,-33.34,;12.13,-33.33,;12.92,-34.66,;14.46,-34.64,;15.24,-35.97,;16.78,-35.96,;17.57,-37.29,;19.11,-37.27,;19.88,-38.61,;21.42,-38.6,;22.19,-37.26,;23.72,-37.25,;21.4,-35.92,;19.85,-35.93,;17.54,-34.61,;16.75,-33.28,;17.21,-31.81,;15.94,-30.92,;14.71,-31.84,;15.2,-33.3,;18.67,-31.31,;19.92,-32.21,;21.16,-31.28,;20.66,-29.81,;19.12,-29.84,;9.81,-32.02,;8.26,-32.04,)|
BDBM50437250 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(49.18,-38.16,;47.65,-38.17,;46.88,-39.51,;45.34,-39.52,;44.57,-38.19,;45.31,-36.85,;46.86,-36.84,;43.03,-38.2,;42.24,-36.87,;40.7,-36.89,;39.92,-35.55,;38.38,-35.57,;37.59,-34.24,;36.05,-34.26,;35.3,-35.6,;33.76,-35.61,;32.97,-34.29,;33.72,-32.96,;35.27,-32.93,;31.44,-34.31,;30.65,-32.99,;29.12,-33,;28.37,-34.34,;29.16,-35.67,;28.41,-37.01,;30.69,-35.64,;40.67,-34.21,;40.18,-32.75,;41.41,-31.84,;42.67,-32.72,;44.13,-32.23,;45.39,-33.12,;46.62,-32.19,;46.12,-30.73,;44.58,-30.76,;42.21,-34.19,;43,-35.52,)|
BDBM50437251 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(22.79,-49.45,;21.26,-49.45,;20.49,-50.8,;18.95,-50.81,;18.18,-49.47,;18.92,-48.13,;20.47,-48.12,;16.63,-49.48,;15.85,-48.16,;14.3,-48.17,;13.53,-46.84,;11.99,-46.86,;11.2,-45.53,;9.65,-45.54,;8.9,-46.88,;7.36,-46.89,;6.58,-45.58,;7.33,-44.24,;8.87,-44.21,;5.04,-45.6,;4.13,-44.37,;2.67,-44.86,;2.69,-46.4,;4.16,-46.85,;14.27,-45.5,;13.78,-44.04,;15.01,-43.12,;16.28,-44,;17.74,-43.51,;18.99,-44.4,;20.23,-43.48,;19.73,-42.01,;18.19,-42.04,;15.81,-45.48,;16.61,-46.81,)|
BDBM50437252 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(45.88,-49.91,;44.34,-49.92,;43.57,-51.26,;42.04,-51.27,;41.27,-49.94,;42.01,-48.59,;43.56,-48.59,;39.72,-49.95,;38.93,-48.62,;37.39,-48.64,;36.62,-47.3,;35.07,-47.32,;34.29,-45.99,;32.74,-46.01,;31.99,-47.35,;30.45,-47.36,;29.67,-46.04,;30.42,-44.71,;31.96,-44.68,;28.13,-46.07,;27.21,-44.84,;25.76,-45.33,;25.78,-46.87,;27.25,-47.32,;37.36,-45.96,;36.87,-44.5,;38.1,-43.59,;39.36,-44.47,;40.83,-43.98,;42.08,-44.87,;43.32,-43.94,;42.82,-42.48,;41.28,-42.51,;38.9,-45.94,;39.7,-47.27,)|
BDBM50437253 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(26.1,-60.67,;24.57,-60.68,;23.8,-62.02,;22.26,-62.03,;21.49,-60.69,;22.23,-59.35,;23.78,-59.34,;19.95,-60.71,;19.16,-59.38,;17.62,-59.39,;16.84,-58.06,;15.3,-58.08,;14.51,-56.75,;12.97,-56.76,;12.21,-58.1,;10.67,-58.12,;9.89,-56.8,;10.64,-55.47,;12.19,-55.44,;8.35,-56.83,;7.44,-55.59,;5.98,-56.09,;6,-57.62,;7.47,-58.08,;17.58,-56.72,;17.1,-55.26,;18.33,-54.34,;19.59,-55.23,;21.05,-54.73,;22.3,-55.63,;23.54,-54.7,;23.04,-53.23,;21.5,-53.26,;19.13,-56.7,;19.92,-58.03,)|
BDBM50437254 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(51.81,-59.96,;50.28,-59.97,;49.51,-61.31,;47.97,-61.32,;47.2,-59.99,;47.94,-58.65,;49.49,-58.64,;45.66,-60,;44.87,-58.67,;43.33,-58.69,;42.55,-57.36,;41.01,-57.37,;40.22,-56.04,;38.67,-56.06,;37.92,-57.4,;36.38,-57.41,;35.6,-56.09,;36.35,-54.76,;37.9,-54.73,;34.06,-56.12,;33.15,-54.89,;31.69,-55.38,;31.71,-56.92,;33.18,-57.37,;43.29,-56.01,;42.81,-54.55,;44.04,-53.64,;45.3,-54.52,;46.76,-54.03,;48.01,-54.92,;49.25,-53.99,;48.75,-52.53,;47.21,-52.56,;44.84,-55.99,;45.63,-57.33,)|
BDBM50437255 NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-n2cccn2)c2ncn(C3CCCC3)c2n1 |(27.02,-9.73,;25.48,-9.74,;24.71,-11.08,;23.18,-11.09,;22.41,-9.75,;23.15,-8.41,;24.7,-8.4,;20.86,-9.77,;20.07,-8.44,;18.53,-8.45,;17.76,-7.12,;16.22,-7.14,;15.43,-5.81,;13.88,-5.82,;13.13,-7.16,;11.59,-7.18,;10.81,-5.86,;11.56,-4.53,;13.1,-4.5,;9.27,-5.89,;8.36,-4.65,;6.9,-5.15,;6.92,-6.68,;8.39,-7.13,;18.5,-5.78,;18.01,-4.32,;19.24,-3.41,;20.5,-4.29,;21.97,-3.79,;23.22,-4.69,;24.46,-3.76,;23.96,-2.3,;22.42,-2.32,;20.04,-5.76,;20.84,-7.09,)|
BDBM50437256 CC(C)(O)CNc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1
BDBM50437257 NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |(24.6,-12.07,;23.07,-12.08,;22.3,-13.42,;20.76,-13.43,;19.99,-12.1,;20.73,-10.75,;22.28,-10.75,;18.45,-12.11,;17.66,-10.78,;16.12,-10.8,;15.34,-9.46,;13.8,-9.48,;13.01,-8.15,;11.47,-8.17,;10.69,-6.84,;9.14,-6.87,;8.39,-8.2,;9.18,-9.52,;10.72,-9.51,;6.86,-8.22,;6.08,-6.9,;4.54,-6.91,;3.79,-8.25,;4.58,-9.58,;6.11,-9.55,;16.09,-8.12,;15.6,-6.66,;16.83,-5.75,;18.09,-6.63,;19.55,-6.14,;20.81,-7.03,;22.04,-6.1,;21.55,-4.64,;20,-4.67,;17.63,-8.1,;18.42,-9.43,)|
BDBM50437234 NC1CCC(CC1)Nc1nc(NCc2ccccc2N)c2ncn(C3CCCC3)c2n1 |(44.48,-37.69,;42.94,-37.7,;42.18,-39.04,;40.65,-39.05,;39.88,-37.72,;40.62,-36.38,;42.16,-36.37,;38.34,-37.74,;37.55,-36.41,;36.01,-36.42,;35.23,-35.09,;33.69,-35.11,;32.9,-33.78,;31.35,-33.79,;30.57,-32.46,;29.03,-32.49,;28.27,-33.83,;29.06,-35.15,;30.6,-35.13,;31.38,-36.46,;35.98,-33.75,;35.49,-32.29,;36.72,-31.37,;37.98,-32.26,;39.45,-31.76,;40.7,-32.65,;41.94,-31.72,;41.44,-30.26,;39.9,-30.29,;37.52,-33.73,;38.32,-35.06,)|
BDBM50437235 NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)|
BDBM50440135 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
BDBM50440136 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
BDBM50440137 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
BDBM50440138 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
BDBM50440139 COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
BDBM50021615 Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
BDBM50021616 COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
BDBM6131 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50021613 CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
BDBM50021614 Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
BDBM147041 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCCCC1 |r|
BDBM146999 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
BDBM147082 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
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
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
BDBM147044 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
BDBM146962 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCC1 |r,TLB:29:28:24.23.25:20.21.27,18:20:24.23.25:28|
BDBM146963 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCCCC1 |r,TLB:18:20:24.23.25:28,29:28:24.23.25:20.21.27|
BDBM146964 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1
BDBM146965 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCCC1
BDBM146966 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4(CNC4)CC3)nc2n1C1CCCCCC1
BDBM146967 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)C4(C)O)nc2n1C1CCCCCC1 |TLB:29:27:20.26.21:23.24,18:20:27:23.24,THB:28:27:20.26.21:23.24|
BDBM147057 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C4CCN(CC4)CC3=O)nc2n1C1CCCC1 |(10.21,-9.15,;8.67,-9.15,;7.9,-10.49,;7.9,-7.82,;8.67,-6.49,;6.36,-7.82,;5.46,-6.57,;3.99,-7.05,;2.66,-6.28,;1.32,-7.05,;1.32,-8.59,;-.01,-9.36,;-.01,-10.9,;1.32,-11.67,;1.32,-13.21,;-.01,-13.98,;-1.34,-13.21,;-1.34,-11.67,;-.01,-15.52,;1.43,-15.91,;1.99,-16.87,;1.99,-18.12,;.33,-19.02,;1.24,-17.72,;.43,-16.91,;-1.21,-18.02,;-1.21,-16.48,;-2.55,-15.71,;2.66,-9.36,;3.99,-8.59,;5.46,-9.07,;5.85,-10.55,;7.32,-11.03,;7.32,-12.57,;5.85,-13.05,;4.95,-11.8,)|
BDBM147058 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3=O)nc2n1C1CCCCC1
BDBM147059 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCC1
BDBM147060 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCCC1
BDBM147061 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5)OC3=O)nc2n1C1CCCC1 |TLB:28:20:27:23.24,THB:19:20:27:23.24|
BDBM147062 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5C)OC3=O)nc2n1C1CCCC1 |TLB:29:20:27:23.24,THB:19:20:27:23.24|
BDBM47154 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)|
BDBM146968 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC3C4O)nc2n1C1CCCCCC1 |TLB:18:20:24.23:26,THB:27:26:24.23:20.21|
BDBM146969 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(C)=O)nc2n1C1CCCCCC1 |TLB:18:20:27:23.24|
BDBM146970 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNC(C4)C3)nc2n1C1CCCC1
BDBM146971 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CN[C@@H](C4)C3)nc2n1C1CCCC1 |r|
BDBM146972 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4CN[C@H](C4)C3)nc2n1C1CCCC1 |r|
BDBM146973 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(CC(F)(F)F)C4)nc2n1C1CCCC1
BDBM147063 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCNCC4)OC3=O)nc2n1C1CCCC1
BDBM147064 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCN(C)CC4)OC3=O)nc2n1C1CCCC1
BDBM147065 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNCC4)OC3=O)nc2n1C1CCCC1 |r|
BDBM147066 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@]4(CCCNCC4)OC3=O)nc2n1C1CCCC1 |r|
BDBM147067 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCNC4)OC3=O)nc2n1C1CCCC1
BDBM147068 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCN(C)C4)OC3=O)nc2n1C1CCCC1
BDBM146974 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(C)C4)nc2n1C1CCCC1
BDBM146975 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC4(N)C3)nc2n1C1CCCC1
BDBM146976 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@]4(N)C3)nc2n1C1CCCC1 |r|
BDBM146977 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4C[C@@]4(N)C3)nc2n1C1CCCC1 |r|
BDBM146978 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC4(C3)N(C)C)nc2n1C1CCCC1
BDBM146979 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
BDBM147069 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
BDBM147070 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
BDBM147071 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CC3CN4)nc2n1C1CCCC1
BDBM147072 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(C3)N4)nc2n1C1CCCC1 |TLB:15:18:25:21.22|
BDBM147073 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4)C3=O)nc2n1C1CCCC1
BDBM147074 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4C(=O)OC(C)(C)C)C3=O)nc2n1C1CCCC1
BDBM146980 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC3CN4)nc2n1C1CCCC1 |r|
BDBM146981 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCCC4C3)nc2n1C1CCCC1
BDBM146982 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCC[C@@H]4C3)nc2n1C1CCCC1 |r|
BDBM146983 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C4CCC3CNC4)nc2n1C1CCCC1
BDBM146984 CNC(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
BDBM146985 CNC(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3CN4)nc2n1C1CCCC1 |r|
BDBM147075 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCCC4(CCNCC4)C3=O)nc2n1C1CCCC1
BDBM147076 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3=O)nc2n1C1CCCC1
BDBM147077 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3)nc2n1C1CCCC1
BDBM147078 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27|
BDBM147079 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCNCC4)OC3=O)nc2n1C1CCCC1
BDBM147080 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCOC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27|
BDBM146986 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC[C@@H]4CCN[C@@H]4C3)nc2n1C1CCCC1 |r|
BDBM146987 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC3C4O)nc2n1C1CCCC1 |TLB:18:20:24.23:26,THB:27:26:24.23:20.21|
BDBM146988 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(C)=O)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
BDBM146989 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4CCO)nc2n1C1CCCC1 |TLB:18:20:27:23.24,28:27:20.26.21:23.24|
BDBM146990 CC(C)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |TLB:1:3:9.8.10:5.6,THB:11:9:3:5.6|
BDBM146991 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3C[C@@H]4O)nc2n1C1CCCC1 |r|
BDBM147081 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4)C3=O)nc2n1C1CCCOC1
BDBM147083 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCC1 |r|
BDBM147085 CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:27:26:23.24.17.18:21.20|
BDBM147086 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CC4CCC(C3)N4)nc2n1C1CCCCC1
BDBM146992 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3C[C@H]4O)nc2n1C1CCCC1 |r|
BDBM146993 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNCC4C3)nc2n1C1CCCC1
BDBM146994 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)C4O)nc2n1C1CCCC1 |TLB:18:20:27:23.24,THB:28:27:20.26.21:23.24|
BDBM146995 CN(C)C1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |THB:11:9:3:5.6,1:3:9.8.10:5.6|
BDBM146996 CC(CO)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |THB:12:10:4:6.7|
BDBM146997 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
BDBM147087 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
BDBM147088 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccccc1
BDBM147089 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1-c1ccccc1 |r|
BDBM147090 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1-c1ccccc1 |r|
BDBM147091 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCCC1
BDBM147092 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1C1CCCCC1 |r|
BDBM146998 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(3.47,1.95,;4.24,3.29,;5.78,3.29,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.71,-4.03,;-2.26,-5.02,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)|
BDBM147000 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4(C)CN(C)CC(C)(C3)C4O)nc2n1C1CCCC1 |TLB:32:31:20.30.21:27.25.24|
BDBM147001 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3[C@H]4CNC[C@@H]3COC4)nc2n1C1CCCC1 |r,TLB:18:20:24.23.22:28.27.26|
BDBM147002 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4(CNC4)C3)nc2n1C1CCCC1
BDBM147003 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4[C@H](N)[C@H]4C3)nc2n1C1CCCC1 |r|
BDBM147093 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCCC1 |r|
BDBM147094 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCC1
BDBM147095 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1C1CCC1 |r|
BDBM147096 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCC1 |r|
BDBM147097 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4S(C)(=O)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147098 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(=O)CNC(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147004 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
BDBM147005 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
BDBM147006 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C)nc2n1C1CCCC1 |TLB:28:27:20.26.21:23.24|
BDBM147007 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CN(Cc5ccccc5)CC(C3)O4)nc2n1C1CCCC1
BDBM147008 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNCC(C3)O4)nc2n1C1CCCC1
BDBM147009 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCC3CC4)nc2n1C1CCCC1 |(3.47,2.15,;4.24,3.48,;5.78,3.48,;3.47,4.82,;4.24,6.15,;1.93,4.82,;1.02,6.06,;-.44,5.59,;-1.78,6.36,;-3.11,5.59,;-3.11,4.05,;-4.44,3.28,;-4.44,1.74,;-3.11,.97,;-3.11,-.57,;-4.44,-1.34,;-5.78,-.57,;-5.78,.97,;-4.44,-2.88,;-5.78,-3.65,;-3.11,-3.65,;-3.45,-5.15,;-2.49,-6.36,;-.95,-6.36,;.01,-5.15,;-.33,-3.65,;-1.72,-2.98,;-1.02,-4.19,;-1.72,-5.02,;-1.78,3.28,;-.44,4.05,;1.02,3.57,;1.79,2.24,;3.26,1.76,;3.26,.22,;1.79,-.25,;.89,.99,)|
BDBM147099 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147100 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147101 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147102 CC(C)N1[C@H]2CC[C@@H]1CC(=O)N(C2)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:1:3:8.9.11.12:6.5|
BDBM147103 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4CC(F)(F)F)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
BDBM147104 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4COCC(CC3=O)N4)nc2n1C1CCCC1
BDBM147010 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4C[C@@H]3CN4)nc2n1C1CCCC1 |r|
BDBM147011 CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5)c(C)n3)nc2n1C1CCCC1
BDBM147012 CN(C)C(=O)c1cc2cnc(Nc3cc(C)c(cn3)C(O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
BDBM147013 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCCC(C3)N4)nc2n1C1CCCC1
BDBM147014 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C |TLB:18:20:27:23.24|
BDBM147015 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1cccc(c1)C(C)(C)C |TLB:18:20:27:23.24|
BDBM147105 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCC[C@H]4C3=O)nc2n1C1CCCC1 |r|
BDBM147106 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCC[C@@H]4C3=O)nc2n1C1CCCC1 |r|
BDBM147016 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCC1 |TLB:18:20:27:23.24|
BDBM147017 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCN(CC1)C1CC1 |TLB:18:20:27:23.24|
BDBM147018 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCN(CC1)C(C)(C)C |TLB:18:20:27:23.24|
BDBM147019 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C(C)(C)C |TLB:18:20:27:23.24|
BDBM147020 CSCC[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:16:14:8:10.11|
BDBM147021 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)CN)nc2n1C1CCCC1 |TLB:18:20:27:23.24,28:27:21.20.26:23.24|
BDBM147022 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)C3CCCN3)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
BDBM147023 CC(C)[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:15:13:7:9.10|
BDBM147024 CCOC(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
BDBM147025 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCOC1
BDBM147026 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCC1
BDBM147027 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCC1
BDBM147028 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
BDBM147029 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4CCC(C3)N4)nc2n1C1CCCC1
BDBM147030 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4COCC(C3)N4)nc2n1C1CCCC1
BDBM147031 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
BDBM147033 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)O4)nc2n1C1CCCC1
BDBM147034 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4COCC(C3)N4)nc2n1C1CCCC1
BDBM147035 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1C[C@H]2CC[C@@H]1C2 |r|
BDBM147036 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1C[C@@H]2CC[C@H]1C2 |r|
BDBM147037 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CC4(N)C3)nc2n1C1CCCC1
BDBM147038 CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
BDBM147039 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(N4)C3=O)nc2n1C1CCCCCC1
BDBM147040 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(5.78,3.29,;4.24,3.29,;3.47,1.95,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.74,-4,;-2.32,-5.18,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)|
BDBM147042 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCCCC1 |r|
BDBM147045 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCC1 |r|
BDBM147047 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1
BDBM147048 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCCCC1 |r|
BDBM147049 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
BDBM147050 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCC1
BDBM147051 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCC1 |r|
BDBM147052 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCC1 |r|
BDBM147053 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
BDBM147054 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5)OC3=O)nc2n1C1CCCCC1 |TLB:28:20:27:23.24,THB:19:20:27:23.24|
BDBM147055 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4C3=O)nc2n1C1CCCC1 |r|
BDBM147056 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C4CCN(CC4)CC3=O)nc2n1C1CCCCCC1 |(6.6,3.29,;5.27,4.06,;5.27,5.6,;3.94,3.29,;3.94,1.75,;2.6,4.06,;2.6,5.6,;-.06,5.6,;-1.4,6.37,;-2.73,5.6,;-2.73,4.06,;-4.07,3.29,;-4.07,1.75,;-2.73,.98,;-2.73,-.56,;-4.07,-1.33,;-5.4,-.56,;-5.4,.98,;-4.07,-2.87,;-2.62,-3.26,;-2.07,-4.22,;-2.07,-5.48,;-3.72,-6.37,;-2.82,-5.07,;-3.63,-4.26,;-5.27,-5.37,;-5.27,-3.83,;-6.6,-3.06,;-1.4,3.29,;-.06,4.06,;1.27,3.29,;1.27,1.75,;-.12,1.08,;-.46,-.42,;.5,-1.63,;2.04,-1.63,;3,-.42,;2.66,1.08,)|
BDBM47157 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
BDBM50093412 CC(C)n1cnc2c(nc(nc12)N1CCC[C@@H]1CO)N(Cc1ccccc1)Cc1ccccc1 |r|
BDBM50093400 CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093396 CC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093403 CC(C)(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093425 CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093430 CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093426 CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093407 CC(C)[C@H](CO)Nc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 |r|
BDBM50093433 COc1cccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)c1 |r|
BDBM50093414 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc1 |r|
BDBM50093415 CC(C)n1cnc2c(NCc3cccc(Br)c3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093401 CC(C)n1cnc2c(NCc3ccc4OCOc4c3)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093394 COc1ccccc1CNc1nc(nc2n(cnc12)C(C)C)N1CCC[C@@H]1CO |r|
BDBM50400801 [H][C@]12C[C@@H](C)N(C1)CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O
BDBM50093432 COc1cc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc(OC)c1 |r|
BDBM50093416 CC(C)n1cnc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093431 CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
BDBM50093420 CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(nc12)N1CCC[C@H]1CO |r|
BDBM50027825 CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM167699 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
BDBM167534 COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
BDBM50078891 Brc1ccc2n(CC(=O)NNC(=S)NC3CCCCC3)c3nc4ccccc4nc3c2c1
BDBM2673 CS(=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
BDBM50023871 Oc1[nH]c2ccc(cc2c1C1=Nc2ccccc2C1=O)S(O)(=O)=O |t:12|
BDBM164883 COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
BDBM164884 COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
BDBM50102675 COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102676 COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
BDBM50102677 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
BDBM50102678 CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
BDBM50102661 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
BDBM50102662 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
BDBM50102663 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
BDBM50102664 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
BDBM50102665 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
BDBM50102667 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
BDBM50102668 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102669 Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102670 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102671 COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
BDBM50102672 COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102674 O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
BDBM50113281 Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
BDBM50139171 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
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
BDBM50102666 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
BDBM206104 COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM50184466 CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
BDBM50154932 CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
BDBM50178298 Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
BDBM50184461 C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
BDBM50193086 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |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
BDBM50193104 CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
BDBM50235361 NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
BDBM50235342 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
BDBM328996 COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
BDBM50235350 C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
BDBM50240779 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
BDBM50240780 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
BDBM50240781 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
BDBM50240782 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
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,)|
BDBM50243389 Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
BDBM84529 NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
BDBM84533 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
BDBM370121 C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
BDBM50263013 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
BDBM84530 NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
BDBM84531 OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
BDBM50458051 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
BDBM50451686 CCN1CCN(Cc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
BDBM50451687 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC(F)(F)F)CC3)cn2)ncn1
BDBM50451688 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC4CC4)CC3)cn2)ncn1
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
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
BDBM50451671 CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
BDBM50451672 CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC3)C3CCCC3)cn2)ncn1
BDBM50451673 CC(C)N1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451674 CCN1CCC(CC1)Oc1cnc(Nc2cc(ncn2)-c2cc(F)c3nc(C)n(C(C)C)c3c2)cn1
BDBM50451675 CCN1CCN(Cc2ccc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
BDBM50451676 CCN1CCN(Cc2ccc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50451677 CCN1CCN(Cc2cnc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451678 CCN1CCN(Cc2cnc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451679 COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451680 CCN1CCC(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
BDBM50451681 CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50451682 CCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
BDBM50451684 CCN1CCC(CC1)C(C)c1cnc(Nc2cc(ncn2)-c2cc(F)c3nc(C)n(C(C)C)c3c2)cn1
BDBM50451685 CCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)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|
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
BDBM50511935 CCOC(=O)Sc1cnc(NC(C)=O)s1
BDBM50511926 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50511930 COCCNS(=O)(=O)c1ccc(Nc2ncc(cn2)-c2cnc3cccnn23)cc1
BDBM50511931 C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
BDBM50512262 CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
BDBM444545 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
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
BDBM444516 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
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|
BDBM444579 C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
BDBM444525 CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
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
BDBM444534 CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
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
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
BDBM444555 CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
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|
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
BDBM444567 CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM444569 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444571 CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
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|
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|
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
BDBM444501 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM50519158 Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
BDBM444486 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
BDBM50525707 Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C
BDBM50526788 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(O)CCNC[C@H]3O)nc12 |r|
BDBM50526789 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |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
BDBM50526797 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
BDBM50526804 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|
BDBM50526805 CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3)nc12
BDBM50528817 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
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
BDBM444591 CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
BDBM444605 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
BDBM444607 CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
BDBM444609 CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444613 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
BDBM444620 Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
BDBM444621 CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
BDBM444634 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
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|
BDBM370258 CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
BDBM50540077 CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |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|
BDBM493977 CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
BDBM493985 Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
BDBM494018 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
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|
BDBM50555383 COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1
BDBM50555385 [H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r|
BDBM50555381 COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCCC1CCNCC1
BDBM50555382 COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCN(C)CC1
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|
BDBM560670 CS(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
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,)|
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
BDBM601952 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
BDBM601953 O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
BDBM601954 CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
BDBM601955 O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601956 CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601957 NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601958 CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601933 NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601934 NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
BDBM601935 NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601936 NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
BDBM601959 CNC(=O)Nc1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601960 CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
BDBM601961 O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601962 CS(=N)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601963 Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3NNC(=O)C4(CCCCC4)n3c2n1
BDBM601964 Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3C(=O)NCC4(CCCCC4)n3c2n1
BDBM601937 CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
BDBM601938 NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
BDBM601939 C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
BDBM601940 CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
BDBM601941 NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
BDBM601942 CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
BDBM601944 CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
BDBM601945 CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
BDBM601946 CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
BDBM601947 CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601948 CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601949 CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
BDBM601950 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM601951 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
BDBM50590456 CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50591706 C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
BDBM50595799 NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
BDBM50593027 CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1
BDBM50594620 CC(=O)N1N=C(CC1c1ccccc1Cl)c1c(O)c2ccccc2oc1=O |c:4|
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|
BDBM50601390 CNc1nc(C(=O)\C=C\c2ccc(OC)cc2)c(C)s1
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM50609501 O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
BDBM50611387 COc1ccc(Nc2nn3c(cc(nc3c2C(N)=O)-c2ccccc2)-c2ccccc2)c(OC)c1
BDBM50613673 OCCOCCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
BDBM50612866 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
BDBM50614762 CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|