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401 SMILES Strings for 5-hydroxytryptamine receptor 4 (5-HT4)

Compound NameSMILES String
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM21392 NCCc1c[nH]c2ccc(cc12)C(N)=O
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM29526 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
BDBM29527 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)Cc1ccccc1Cl
BDBM29528 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM29529 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
BDBM29530 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccccc1
BDBM29531 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM29532 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM82087 COc1ccc2[nH]cc(CCN)c2c1
BDBM82422 COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21|
BDBM82505 CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
BDBM86038 Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
BDBM84648 CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
BDBM85026 CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM85607 COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10|
BDBM85608 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
BDBM85610 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
BDBM85778 O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
BDBM94630 CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
BDBM50000492 COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50005833 COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
BDBM50007863 COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
BDBM50007871 CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
BDBM50007872 CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
BDBM50033447 Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50056393 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
BDBM50056401 CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
BDBM50056404 CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18|
BDBM50056415 COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1
BDBM50058173 COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@@H](C)C[C@@H](C)C1
BDBM50078561 CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50079288 CC(C)N1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
BDBM50079306 CC(C)n1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50092541 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCNCC1
BDBM50092542 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)OC(C)(C)C
BDBM50092543 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1
BDBM50092545 COc1cccc(c1)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50092546 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(Cl)nn1
BDBM50092547 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccnn1
BDBM50092548 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccncc1
BDBM50092549 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1F
BDBM50092550 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccn1
BDBM50092551 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cnccn1
BDBM50092552 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc2ccccc12
BDBM50092553 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1Cl
BDBM50092554 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50092555 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cncnc1
BDBM50092556 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(F)cc1
BDBM50092557 COc1ccc(cc1)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50092558 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cnc(Cl)nc1
BDBM50092559 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(Cl)cc1
BDBM50092560 CCOC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50092561 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50092562 COc1ccccc1N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50092563 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(Cc2ccccc2)CC1
BDBM50092564 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C)CC1
BDBM50098550 C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
BDBM50098551 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
BDBM50106482 CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
BDBM50122878 Nc1c2CCOc2c(cc1Cl)C(=O)NCCC12CCCN1CCC2
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50130443 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
BDBM50130279 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
BDBM50130426 CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130268 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
BDBM50129615 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129616 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129617 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
BDBM50129618 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50129619 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129620 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129621 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
BDBM50129622 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129623 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129624 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNc2ccc([N+]([O-])=O)c3n[o+][n-]c23)CC1
BDBM50129625 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50129626 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50129627 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
BDBM50129628 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
BDBM50129629 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50174425 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCCCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174427 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50174428 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCc1ccc2c(c1)oc1cc(CCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)ccc21
BDBM50174430 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174431 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCCCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174432 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1
BDBM50174433 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50174434 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174414 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174435 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174437 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
BDBM50174438 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50174439 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN
BDBM50174440 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174442 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174443 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174444 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174415 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174416 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50174417 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174419 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50174420 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
BDBM50174421 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174422 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
BDBM50174423 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50174424 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50187923 FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50219124 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCN(CCCc1cccc(CCCN(CCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)C(=O)C(C)(C)C)c1)C(=O)C(C)(C)C
BDBM50219132 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50219133 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50234920 NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
BDBM50240618 CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10|
BDBM50252711 CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
BDBM50241836 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
BDBM50255827 COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18|
BDBM50286670 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50301922 CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301923 CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301924 CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301925 CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301926 COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301927 COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50301928 CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301929 CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301930 CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301918 COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50301919 COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
BDBM50301920 COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 |r|
BDBM50301921 CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50319673 Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
BDBM50327858 CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
BDBM50327859 CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327862 CCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50327864 CCCCN1CCC(COC(=O)c2ccc(N)c(OCF)c2)CC1
BDBM50327865 CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1
BDBM50327866 CCCCN1CCC(COC(=O)c2ccc(N)c3OCCOc23)CC1
BDBM50327867 CCCCN1CCC(COC(=O)c2ccc(NC)c3OCCOc23)CC1
BDBM50327868 CCCCN1CCC(COC(=O)c2cc(C)c(N)c3OCCOc23)CC1
BDBM50327869 CCCCN1CCC(COC(=O)c2cc(Br)c(NC)c3OCCOc23)CC1
BDBM50327870 CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
BDBM50327871 CCCCN1CCC(COC(=O)c2cc(C#N)c(NC)c3OCCOc23)CC1
BDBM50327872 CCCCN1CCC(COC(=O)c2ccc(N)cc2OC)CC1
BDBM50327873 CCCCN1CCC(CNC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327874 CCCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327875 CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+]([O-])=O)CC1
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50330813 CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
BDBM50330814 CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
BDBM50345754 CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
BDBM50345777 CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
BDBM50371145 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCN(CCCc2ccc(CCCN(CCCC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)C(C)(C)C)cc2)C(=O)C(C)(C)C)CC1
BDBM50213018 COc1cc(N)c(Cl)cc1C(=O)NCCCN1CCCCC1
BDBM50213019 COc1cc(N)c(Cl)cc1C(=O)CCCN1CCCCC1
BDBM50213016 CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50213017 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C)CC1
BDBM50213020 COc1cc(N)c(Cl)cc1C(=O)CCC1CCNCC1
BDBM50398711 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
BDBM50398713 COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
BDBM50398963 Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1
BDBM50398964 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12
BDBM50398965 CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
BDBM50398966 COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
BDBM50398967 Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
BDBM50398968 Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
BDBM50398969 Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
BDBM50398970 Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1
BDBM50398971 CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
BDBM50398972 Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
BDBM50398973 CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
BDBM50398974 Cn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1
BDBM50398975 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
BDBM50398976 CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM50398977 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c2ccccc12
BDBM50398978 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc12
BDBM50398979 CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc12
BDBM50398980 CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
BDBM50398981 CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
BDBM50398983 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
BDBM50398984 CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50398985 CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
BDBM50398986 CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1
BDBM50398588 CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
BDBM50399614 CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
BDBM50399615 CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
BDBM50399616 CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
BDBM50399617 CCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1
BDBM50399618 CCCN1CCC(COc2nc3cc(F)ccc3c3ccccc23)CC1
BDBM50399619 CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
BDBM50399620 CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
BDBM50399621 Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
BDBM50399622 CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
BDBM50399623 CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
BDBM50398589 CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1
BDBM50398590 CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
BDBM50398591 OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
BDBM50398592 CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
BDBM50398593 CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
BDBM50398594 CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
BDBM50398595 CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
BDBM50398596 CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
BDBM50398597 CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
BDBM50398598 OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
BDBM50398599 O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12 |r|
BDBM50391062 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(=O)N(C)C)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391063 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(=O)N(C)C)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391064 COC(=O)NCC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:8:9:15.14.16:12.11|
BDBM50391065 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN(C)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391066 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(C)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391067 CNC(=O)NCC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:8:9:15.14.16:12.11|
BDBM50391068 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNS(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391069 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
BDBM50391070 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(C)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391071 CNC(=O)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:9:10:16.15.17:13.12|
BDBM50391072 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(N)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50391073 COC(=O)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:9:10:16.15.17:13.12|
BDBM50391074 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(N)=O)c1=O |r,THB:23:22:15.21.16:19.18|
BDBM50388686 CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50388687 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
BDBM50388688 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1nn(C(C)C)c3ccccc13)N2 |r|
BDBM50388689 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388690 CC(C)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:8:9:15.14.16:11.12|
BDBM50388691 CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:10:11:17.16.18:13.14|
BDBM50388692 COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17|
BDBM50388693 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388694 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388695 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388696 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388697 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388698 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388699 COC[C@@H]1CCCN1CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:11:12:18.17.19:14.15|
BDBM50388700 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388701 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50388702 CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
BDBM50403826 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
BDBM50403827 COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
BDBM50403833 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
BDBM50403897 CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
BDBM50414700 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCS(O)(=O)=O |r|
BDBM50414701 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCS(O)(=O)=O |r|
BDBM50414702 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCS(O)(=O)=O |r|
BDBM50414703 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCCCC2)CC1
BDBM50414704 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1
BDBM50414705 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCCCC2)CC1
BDBM50414706 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCCCC1 |r|
BDBM50414707 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCCCC1 |r|
BDBM50414708 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCCCC1 |r|
BDBM50414709 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCN(CC2)S(C)(=O)=O)CC1
BDBM50414710 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCN(CC2)S(C)(=O)=O)CC1
BDBM50414711 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCN(CC2)S(C)(=O)=O)CC1
BDBM50414712 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCN(CC1)S(C)(=O)=O |r|
BDBM50414713 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCN(CC1)S(C)(=O)=O |r|
BDBM50414714 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
BDBM50414715 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN(C)CCc2c[nH]c3ccccc23)CC1
BDBM50414716 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN(C)CCc2c[nH]c3ccccc23)CC1
BDBM50414717 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN(C)CCc2c[nH]c3ccccc23)CC1
BDBM50414677 COc1ccc2[nH]cc(C(=O)NC3CCNCC3)c2c1
BDBM50414718 [H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN(C)CCc1c[nH]c2ccccc12 |r|
BDBM50414719 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN(C)CCc1c[nH]c2ccccc12 |r|
BDBM50414720 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN(C)CCc1c[nH]c2ccccc12 |r|
BDBM50414725 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)S(C)(=O)=O |r|
BDBM50414726 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
BDBM50414727 [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCOCC1 |r|
BDBM50414728 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCOCC1 |r|
BDBM50414729 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN(C)CCCN(C)S(C)(=O)=O |r|
BDBM50414730 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN(C)CCCN(C)S(C)(=O)=O |r|
BDBM50414731 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)c1ccccc1 |r|
BDBM50414721 [H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC[C@H]1C(N)=O |r|
BDBM50414722 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC[C@H]1C(N)=O |r|
BDBM50414723 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)C(=O)OCC |r|
BDBM50414724 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)C(=O)OCC |r|
BDBM50414732 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)c1ccccc1 |r|
BDBM50414733 [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCCCC1 |r|
BDBM50414734 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCCCC1 |r|
BDBM50414735 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC(CNS(C)(=O)=O)CC1 |r|
BDBM50414736 [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC(CNS(C)(=O)=O)CC1 |r|
BDBM50414663 COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1
BDBM50414664 COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1
BDBM50414661 CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
BDBM50414662 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2 |r|
BDBM50414665 COc1cc(N)c(Cl)cc1C(=O)NCCN1CCNCC1
BDBM50414666 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2 |r|
BDBM50414667 CC(C)n1c2ccccc2cc(C(=O)NCC2CCNCC2)c1=O
BDBM50414668 CC(C)n1c2ccccc2cc(C(=O)NC2CCNCC2)c1=O
BDBM50414669 CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc12
BDBM50414670 CC(C)n1nc(C(=O)NC2CCNCC2)c2ccccc12
BDBM50414671 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)n1c3ccccc3n(C(C)C)c1=O)N2 |r|
BDBM50414672 CC(C)n1c2ccccc2n(C(=O)NCC2CCNCC2)c1=O
BDBM50414673 CC(C)n1c2ccccc2n(C(=O)NC2CCNCC2)c1=O
BDBM50414674 CC(C)n1c2ccccc2n(C(=O)NCCN2CCNCC2)c1=O
BDBM50414675 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1c[nH]c3ccc(OC)cc13)N2 |r|
BDBM50414676 COc1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
BDBM50414474 COc1ccc2[nH]cc(CNN3CCOCC3)c2c1
BDBM50414678 COc1ccc2[nH]cc(C(=O)NCCN3CCNCC3)c2c1
BDBM50414679 CCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50414680 CCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50414681 CCCCCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50414682 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CC |r|
BDBM50414683 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCC |r|
BDBM50414684 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCC |r|
BDBM50414685 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCO)CC1
BDBM50414686 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCO)CC1
BDBM50414687 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCO)CC1
BDBM50414688 [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCO |r|
BDBM50414689 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCO |r|
BDBM50414690 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCO |r|
BDBM50414691 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
BDBM50414692 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM50414693 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM50414694 [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1C(=O)c2ccccc2C1=O |r|
BDBM50414695 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1C(=O)c2ccccc2C1=O |r|
BDBM50414696 [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |r|
BDBM50414697 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCS(O)(=O)=O)CC1
BDBM50414698 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCS(O)(=O)=O)CC1
BDBM50414699 COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCS(O)(=O)=O)CC1
BDBM50412131 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
BDBM50412132 Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
BDBM50019520 COc1cc(C(=O)OCCCN2CCCCC2)c2ccccc2n1
BDBM50019522 COc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23
BDBM50019523 COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23
BDBM50019524 Clc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23
BDBM50019525 Clc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23
BDBM50019529 [K+].CC(C)n1c2sccc2c([O-])c(C(=O)NCCCN2CCCCC2)c1=O
BDBM50023365 OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
BDBM50023366 CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
BDBM50023367 OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
BDBM50023368 OC(=O)C1CCCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
BDBM50023369 OC(=O)C1C2C3CC1C(CN1CCC(COC(=O)c4c5OCCCn5c5ccccc45)CC1)C23 |TLB:9:8:5.6:4.3,THB:1:3:8:5.6|
BDBM50023372 O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12
BDBM50023374 CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
BDBM50023375 CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
BDBM50023376 O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2OCCCn2c2ccccc12
BDBM50023377 CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
BDBM50023378 CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
BDBM50023380 O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)c1c[nH]c2ccccc12
BDBM50023381 O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12
BDBM50023373 CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
BDBM50023379 CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
BDBM50079362 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
BDBM50142912 CO[C@@H]1CN(CCCn2ncnn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142913 CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142914 CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142915 CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142917 CO[C@@H]1CN(CCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142918 CCCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM50142928 CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM197993 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1
BDBM197991 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cncn2)CC1
BDBM197992 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
BDBM197994 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1
BDBM197995 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc23)CC1
BDBM197996 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1
BDBM197997 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
BDBM197998 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2nccn2)CC1
BDBM197999 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
BDBM198000 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
BDBM198001 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
BDBM198002 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
BDBM198003 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1
BDBM198004 COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(O)cc2)CC1
BDBM198005 COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
BDBM50142903 CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142904 CO[C@@H]1CN(CC2CCN(CC2)C(=O)OC)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142905 CCC(=O)N1CCC(CCN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM234387 CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
BDBM234388 CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
BDBM50142906 CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1 |r|
BDBM50142907 CCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM50142908 CO[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142909 CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142919 CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142920 CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142921 CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142922 CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM50142923 CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM50142924 CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
BDBM50142925 CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142926 CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142929 CO[C@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142910 CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50142911 CO[C@@H]1CN(CCC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
BDBM50207400 CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
BDBM50213015 CCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM50213343 Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
BDBM50213344 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|