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1174 SMILES Strings for 5-hydroxytryptamine receptor 1D

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
BDBM21392 NCCc1c[nH]c2ccc(cc12)C(N)=O
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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|
BDBM21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM28574 NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM28579 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
BDBM28580 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
BDBM30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
BDBM30704 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
BDBM30707 COc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM34141 COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
BDBM34142 CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
BDBM35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM55436 C(C1=NCCN1)c1ccccc1 |t:1|
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM78940 CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM82472 CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82087 COc1ccc2[nH]cc(CCN)c2c1
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM81789 CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
BDBM81497 CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
BDBM81498 COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
BDBM81499 CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86202 NC(CCS)C(O)=O
BDBM86203 NC(CS)C(O)=O
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM86038 Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM84737 O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
BDBM84991 Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85595 Fc1cccc2OC3CNCC3Oc12
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
BDBM85612 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
BDBM85613 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
BDBM85195 CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
BDBM85672 O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
BDBM85805 COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM85165 OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
BDBM85166 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM50001523 CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
BDBM50001524 Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
BDBM50451852 NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
BDBM50451853 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc(F)c4ccoc34)OCCc2c1 |c:13|
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,)|
BDBM50003359 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
BDBM50003039 NCCc1c[nH]c2ccc3OCCCc3c12
BDBM50003040 CN(C)CCc1c[nH]c2cc3CCCOc3cc12
BDBM50003036 CN(C)CCc1c[nH]c2ccc3OCCCc3c12
BDBM50003037 Cn1cc(CCN)c2c3CCCOc3ccc12
BDBM50003038 CN(C)CCc1cn(C)c2ccc3OCCCc3c12
BDBM50001775 [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50005835 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50007871 CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
BDBM50007406 FC(F)(F)c1cccc(c1)N1CCNCC1
BDBM50007407 C1CN(CCN1)c1cccc2ccccc12
BDBM50007170 COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50454685 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
BDBM50454655 COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50454686 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
BDBM50454687 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50014406 Cc1[nH]c2ccc(O)cc2c1CCN
BDBM50014407 C1CN(CCN1)c1ccc2ccccc2n1
BDBM50014154 Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50017520 CN(C)C1CCc2ccc3[nH]ccc3c2C1
BDBM50015710 FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
BDBM50014945 CC(N)Cc1c[nH]c2ccc(O)cc12
BDBM50014946 COc1ccc2[nH]c(C)c(CCN)c2c1
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50016777 CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
BDBM50016909 CCCN(C)CCOc1cccc2ccccc12
BDBM50016911 CN(CCOc1cccc2ccccc12)Cc1ccccc1
BDBM50016913 CCCCN(CC)CCOc1cccc2ccccc12
BDBM50016479 CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50455552 CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F |r|
BDBM50455553 F[C@H](CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1 |r|
BDBM50455554 F[C@H]1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC[C@@H]1NCc1ccccc1C(F)(F)F |r|
BDBM50455555 F[C@@H]1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC[C@@H]1NCc1ccccc1C(F)(F)F |r|
BDBM50455556 CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F |r|
BDBM50455557 CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F |r|
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50020702 CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
BDBM50021809 Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50024204 CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
BDBM50024210 NCCc1c[nH]c2ccccc12
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50027065 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
BDBM50002642 COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
BDBM50453697 O.CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50033437 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50033383 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
BDBM50033426 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033429 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50033430 NCCc1c[nH]c2ccc(OCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033431 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3CN)cc12
BDBM50033432 NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033433 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033434 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
BDBM50033435 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033436 CS(=O)(=O)NCc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033438 NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033439 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12
BDBM50033440 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12
BDBM50033441 CS(=O)(=O)NCc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033442 CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50033443 NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
BDBM50033444 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(CN)cc3)cc12
BDBM50033445 NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
BDBM50033446 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(NC(=O)c4ccccc4)cc3)cc12
BDBM50033447 Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50031942 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
BDBM50035307 CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1
BDBM50035329 CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035330 CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1
BDBM50035332 CCCN(CCC)C1CCc2c(C1)ccc(F)c2N
BDBM50035340 CCCN(C)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035356 CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035357 C1Cc2ccc3[nH]ccc3c2CC1N1CCCCCC1
BDBM50035362 CCCN(CC=C)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035365 C1CCN(C1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035300 CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1
BDBM50035301 CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1
BDBM50035302 CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1
BDBM50035303 CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035348 CCCNC1CCc2ccc3[nH]ccc3c2C1
BDBM50035304 CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
BDBM50035305 CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035350 CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035351 CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035352 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035353 CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035306 CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1
BDBM50035308 CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
BDBM50035309 CCCN(CCC)C1CCc2ccc3[nH]cc(c3c2C1)S(C)(=O)=O
BDBM50035355 CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035358 CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035359 CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035360 CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035361 C(CNCC1CCc2ccc3[nH]ccc3c2C1)Cc1ccccc1
BDBM50035310 CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1
BDBM50035312 CCCNC1CCc2cc(F)ccc2C1
BDBM50035313 CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1
BDBM50035314 CCCN(CCC)C1CCc2cc(F)c3n(C)cc(C=O)c3c2C1
BDBM50035315 CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
BDBM50035317 CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1
BDBM50035318 CCCN(CCC)C1CCc2cc(F)c3n(C)ccc3c2C1
BDBM50035319 CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
BDBM50035320 CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035321 CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
BDBM50035323 CCCN(CCC)C1CCc2ccc3n(C)cc(C=O)c3c2C1
BDBM50035324 CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
BDBM50035325 CCCN(CCC)C1CCc2cc(F)c3[nH]cc(CCC)c3c2C1
BDBM50035326 CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
BDBM50035327 CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
BDBM50035328 CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
BDBM50035363 CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035331 CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
BDBM50035333 CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
BDBM50035334 CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1
BDBM50035335 CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
BDBM50035336 CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035337 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035338 CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035341 CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035343 CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
BDBM50035344 CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035345 CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1
BDBM50035299 CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1
BDBM50034365 CCCN[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
BDBM50034366 CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
BDBM50034368 CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
BDBM50039947 CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50038638 Nc1ccc(CC2=NCCN2)cc1 |t:6|
BDBM50044235 CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
BDBM50044236 CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
BDBM50050467 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50049076 CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049077 CCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049079 CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049080 CCCCCCCCCOc1ccc2[nH]c3CCC(N)Cc3c2c1
BDBM50049082 CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049083 CCCCCCOc1ccc2[nH]c3CCC(N)Cc3c2c1
BDBM50049084 CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049085 CC(=O)c1ccc2[nH]cc(CCN)c2c1
BDBM50049086 CCc1ccc2[nH]cc(CCN)c2c1
BDBM50049087 CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049088 CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1
BDBM50049091 CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049092 CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049094 COc1ccc2[nH]c3CCC(N)Cc3c2c1
BDBM50049096 CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
BDBM50049097 CN(C)CCc1c[nH]c2ccc(OC(C)=O)cc12
BDBM50049099 CCc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049072 CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50049073 CN(C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12
BDBM50049074 CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1
BDBM50049075 NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
BDBM50051562 COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
BDBM50054757 CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054758 CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
BDBM50054759 CCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
BDBM50054760 CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054761 CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054973 NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054974 NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50054975 NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
BDBM50054976 NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054977 NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054978 NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12
BDBM50054979 NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
BDBM50054980 NCCc1c[nH]c2ccc(OCC(=O)N3CCC(CC3)C3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054981 NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50054982 NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054983 NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054984 NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054985 NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(cc3)-c3ccc(cc3)S(=O)(=O)NCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054762 NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
BDBM50054763 CCN(CC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
BDBM50054764 COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
BDBM50054765 CCN(CC)CCc1c[nH]c2ccc(O)cc12
BDBM50054986 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054987 NCCc1c[nH]c2ccc(OCCN3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50054988 NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50061296 COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
BDBM50061964 OCCNCCOc1cccc2ccccc12
BDBM50061297 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
BDBM50061299 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
BDBM50061968 CCCN(C)CCOc1ccccc1C1CCCC1
BDBM50061300 COc1ccc2ccc(cc2c1)N1CCNCC1
BDBM50061303 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
BDBM50061304 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
BDBM50061969 CNCCOc1ccccc1
BDBM50061970 CCCN(C)CCCOc1ccccc1C1CCCC1
BDBM50061971 CNCCOc1cccc2ccccc12
BDBM50060427 CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
BDBM50060428 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50060429 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50060430 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50060431 C(CN1CCCCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50060432 CN(Cc1ccccc1)[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
BDBM50060433 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCCC1
BDBM50060434 Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
BDBM50060435 CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50060436 Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50060437 Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50060438 CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50060439 Fc1cc(F)cc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50060440 C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50060441 CN1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50060442 CC(=O)Nc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50060443 Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50060444 C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50060516 COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060517 COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060518 COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060519 CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
BDBM50060426 CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50060419 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCC1
BDBM50060420 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](COCc2ccccc2)C1
BDBM50060421 C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50060422 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
BDBM50060423 CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50060424 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](C1)OCc1ccccc1
BDBM50060425 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
BDBM50064812 Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1 |t:6|
BDBM50064813 CC(C)(C)c1ccc(CC2=NCCN2)cc1 |t:9|
BDBM50064814 Brc1ccc(CC2=NCCN2)cc1 |t:6|
BDBM50064815 Cc1ccc(O)c(C)c1CC1=NCCN1 |t:11|
BDBM50064816 Cc1cc(ccc1CC1=NCCN1)C(C)(C)C |t:9|
BDBM50064817 Cc1cccc(C)c1CC1=NCCN1 |t:10|
BDBM50064818 Cc1cc(cc(C)c1CC(N)=N)C(C)(C)C
BDBM50064819 CCc1ccc(CC2=NCCN2)cc1 |t:7|
BDBM50064820 Cc1cc(C)c(CC2=NCCN2)c(C)c1 |t:7|
BDBM50064821 CCCCc1ccc(CC2=NCCN2)cc1 |t:9|
BDBM50064822 Cc1cc(cc(C)c1CCN)C(C)(C)C
BDBM50064823 CCCc1ccc(CC2=NCCN2)cc1 |t:8|
BDBM50064826 CNCCc1c(C)cc(cc1C)C(C)(C)C
BDBM50064783 COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064784 COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064785 COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
BDBM50064786 CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
BDBM50064787 CNC(=O)c1ccc2[C@@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
BDBM50065415 CN(Cc1ccccc1)[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F
BDBM50065416 CN(Cc1ccccc1)C1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50065417 FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50065418 FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50065419 C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50065420 FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50065421 Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50065422 OC[C@H](NC1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50065423 CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F
BDBM50064804 Cc1ccc(CC2=NCCN2)c(C)c1O |t:6|
BDBM50064805 CC(C)c1ccc(CC2=NCCN2)cc1 |t:8|
BDBM50064806 CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1 |t:9|
BDBM50064807 C(C1=NCCN1)c1ccc(cc1)-c1ccccc1 |t:1|
BDBM50064808 Cc1cc(Br)cc(C)c1CC1=NCCN1 |t:11|
BDBM50064809 Oc1cccc(CC2=NCCN2)c1 |t:7|
BDBM50064810 CN1CCN=C1Cc1c(C)cc(cc1C)C(C)(C)C |c:4|
BDBM50064811 [O-][N+](=O)c1ccc(CC2=[NH+]CC[N-]2)cc1 |t:8|
BDBM50070405 CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
BDBM50070406 CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
BDBM50070407 CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4CCC(Cc34)N(CCC)CCC)c2C1
BDBM50070408 CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
BDBM50070409 CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
BDBM50068814 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068815 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
BDBM50068816 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
BDBM50068817 CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
BDBM50068818 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068819 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068820 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068821 COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
BDBM50068822 CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068823 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
BDBM50068824 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
BDBM50068825 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068826 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
BDBM50068827 CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
BDBM50068828 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50068829 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
BDBM50068830 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068831 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068832 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
BDBM50068833 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
BDBM50068834 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068835 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50068836 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
BDBM50068837 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
BDBM50068838 CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
BDBM50068839 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068840 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50069315 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
BDBM50073681 NCCc1c[nH]c2ccc(cc12)C1CCCC1
BDBM50073682 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
BDBM50073683 CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50073684 CC(C)(C)c1ccc2[nH]cc(CCN)c2c1
BDBM50073685 CCCNCCc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50073686 CN(C)CCc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50073687 CC(C)c1ccc2[nH]cc(CCN)c2c1
BDBM50073688 CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50073689 CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
BDBM50073690 NCCc1c[nH]c2ccc(cc12)C1CCCCC1
BDBM50073691 Cc1ccc2[nH]cc(CCN)c2c1
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50074147 CC(=O)N(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
BDBM50074148 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccn2)C1
BDBM50074149 C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
BDBM50074150 CN(C[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
BDBM50074151 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1
BDBM50074152 C(Cc1c[nH]c2ccc(Cn3cncn3)cc12)N1CC[C@@H](CNCc2ccccc2)C1
BDBM50074153 CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)Cc1ccccc1
BDBM50074154 CN(C[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-n1cnnc1)Cc1ccccc1
BDBM50074155 C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
BDBM50074156 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
BDBM50074157 C(CN1CC[C@@H](COCc2ccccc2)C1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074158 OC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
BDBM50074159 C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
BDBM50074160 OC[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
BDBM50074161 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNc2ccccc2)C1
BDBM50074162 CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4C)cc23)C1)Cc1ccccc1
BDBM50074164 C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
BDBM50074165 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1
BDBM50074166 CC(=O)Nc1ccc(CNC[C@@H]2CCN(CCc3c[nH]c4ccc(cc34)-n3cnnc3)C2)cc1
BDBM50074167 C(Cc1ccccc1)NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
BDBM50074168 OC[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
BDBM50074169 C=CCNC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
BDBM50074170 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccncc2)C1
BDBM50074171 O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
BDBM50074172 C[C@@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
BDBM50074173 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccco2)C1
BDBM50074174 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](C1)OCc1ccccc1
BDBM50074175 O[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
BDBM50074176 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2cccnc2)C1
BDBM50074177 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccoc2)C1
BDBM50074178 CC(C)(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
BDBM50074179 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@@H]1COCc1ccccc1
BDBM50074180 CN(C)C(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074181 N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074182 S=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
BDBM50074183 O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
BDBM50074184 CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074185 O=C1CN(Cc2ccccc2)CCN1CCCc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074186 Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074187 Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074188 NC(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074189 C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074190 CC(=O)Nc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074191 C(CN1CCNCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074192 C(CN1CCN(CC1)c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074193 C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074194 OCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074195 C(CN1CCOCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074196 FC(F)(F)c1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074197 CN1CCN(CCCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50074198 C(CN1CCN(Cc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074199 CC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074200 C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074201 C(CN1CCN(Cc2ccco2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074202 CC(CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50074203 C(CN1CCN(Cc2ccoc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074204 C(CN1CCN(Cc2ncc[nH]2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074205 CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50074206 C(CN1CCN(Cc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074207 Cc1noc(n1)-c1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50074208 C(CN1CCN(CCCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50074209 O=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1CCc1ccccc1
BDBM50074163 C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC1
BDBM50077806 CC(CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50077807 Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50077808 Fc1ccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50077809 FC(CN1CCN(CCc2ccccc2F)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077811 FC(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077812 CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50077814 FC(F)(F)c1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50077816 FC(CN1CCC(CC1)OCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077817 CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50077818 FC(F)(CN1CCC(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077819 FC(F)(CN1CCC(CC1)OCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077820 Fc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50077821 Fc1cccc(CCN2CCN(CC(F)(F)Cc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50077822 FC(F)(CN1CCC(COc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077823 FC(CN1CCN(CCc2ccc(F)cc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077824 FC1(CCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50077825 CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1cccc(F)c1
BDBM50077826 CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50077827 CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1F
BDBM50077828 OC(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077829 FC(F)(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50077830 Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
BDBM50077831 CN(Cc1ccccc1)C1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50080889 CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
BDBM50080890 CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
BDBM50080891 CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12
BDBM50080892 CN(C[C@H]1C[C@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)N(C)C1)Cc1ccccc1
BDBM50080893 CN1C[C@@H](CN(Cc2ccccc2)C#N)C[C@@H]1Cc1c[nH]c2ccc(cc12)-n1ccnc1
BDBM50080894 CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12
BDBM50083653 CN(CC1CC1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083654 CC(C)(C)CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083655 CN(CC1CCCCC1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083656 CC(C)(C)OC(=O)NCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083657 CN(CC(C)(C)C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083658 OC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083659 CC(C)CN(C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083660 CN(Cc1ccccc1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083661 CC(=O)Nc1ccc(CNCC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50083662 CC1(C)CCCN(CC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)C1
BDBM50083663 OC1(CNCC2CC2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083664 OC1(CNCc2ccccn2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083665 OC1(CNCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083666 Cc1ccccc1CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083667 CN(Cc1ccccc1C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50084951 CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
BDBM50084952 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
BDBM50084953 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1
BDBM50084954 CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O
BDBM50084955 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
BDBM50084957 CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OS(=O)(=O)C(F)(F)F
BDBM50084958 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50084960 CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
BDBM50084961 CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O
BDBM50083082 C[C@@H](O)[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083083 COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083084 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cncn2)CC1)c1ccccc1
BDBM50083085 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@H](O)c1ccccc1
BDBM50083086 CN(Cc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083087 CC#CCN(C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083088 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)CC1)c1ccccc1
BDBM50083089 CN(Cc1cccs1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083090 CN(C)C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083091 CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
BDBM50083092 C[C@H](O)[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083093 CN(CCc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083094 OCCC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083095 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
BDBM50083096 CN(CCC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(15.54,-6.09,;14.49,-4.94,;14.97,-3.47,;16.48,-3.15,;16.95,-1.68,;18.45,-1.36,;18.91,.1,;19.49,-2.5,;13.01,-5.26,;12.53,-6.73,;11.03,-7.06,;10.01,-5.91,;8.5,-6.25,;8.04,-7.72,;6.54,-8.04,;6.07,-9.51,;6.99,-10.74,;6.09,-12.02,;4.61,-11.54,;3.27,-12.31,;1.93,-11.54,;1.93,-10.01,;3.27,-9.24,;4.59,-10.01,;.61,-9.24,;.45,-7.7,;-1.06,-7.38,;-1.83,-8.72,;-.79,-9.87,;10.45,-4.45,;11.96,-4.13,)|
BDBM50083097 NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083098 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
BDBM50083099 NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083100 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](O)c1ccccc1
BDBM50083101 OC[C@@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083102 OC[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083103 CS(=O)(=O)NC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083104 COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50083105 C(CN1CCC(CNc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083106 CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083107 CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(CC3)N[C@H](C)c3ccccc3)c2c1
BDBM50083108 C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
BDBM50083109 C(CN1CCC(CC1)NCc1ccccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083110 CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083111 C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
BDBM50083112 C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083113 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1
BDBM50083114 C[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083115 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
BDBM50083116 OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083117 CN(Cc1ccco1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083118 C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083119 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccccc1
BDBM50083120 CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(18.82,-5.86,;17.8,-4.72,;18.27,-3.25,;19.77,-2.93,;20.23,-1.45,;21.74,-1.13,;19.21,-.32,;16.29,-5.04,;15.81,-6.5,;14.32,-6.84,;13.3,-5.68,;11.79,-6.02,;11.32,-7.5,;9.82,-7.82,;9.37,-9.29,;10.29,-10.54,;9.37,-11.8,;7.89,-11.32,;6.55,-12.09,;5.23,-11.32,;5.23,-9.78,;6.55,-9.02,;7.89,-9.78,;3.89,-9.02,;3.73,-7.48,;2.22,-7.16,;1.45,-8.5,;2.5,-9.65,;13.75,-4.23,;15.26,-3.91,)|
BDBM50083121 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cncn2)CC1)c1ccccc1
BDBM50083122 CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
BDBM50083123 O[C@H]1Cc2ccccc2C1NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083124 CN(CC1CC1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083125 CC(=O)Nc1ccc(CCNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50083126 CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083127 C(CN1CCC(CC1)NCc1cccnc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083128 OC[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083129 O=c1[nH]c2ccccc2n1C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083130 C(CN1CCC(CC1)NCc1ccncc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083131 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
BDBM50083132 O=S(=O)(NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083133 CC(=O)Nc1ccc(CNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50083134 C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
BDBM50083135 C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083136 C(CN1CCC(CC1)NCc1ccoc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083137 OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
BDBM50083138 OC[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083139 CN([C@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083140 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(cc1)S(C)(=O)=O
BDBM50083141 C(CN1CCC(CNC2CCc3ccccc23)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083142 CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
BDBM50083143 CN(Cc1ccc(cc1)S(C)(=O)=O)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083144 CC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
BDBM50083145 C(CN1CCC(CC1)NC1CCc2ccccc12)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50083146 CN(Cc1ccoc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083147 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
BDBM50083148 CN(CC=C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
BDBM50083149 C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
BDBM50083150 CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](CO)c1ccccc1
BDBM50083151 COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1
BDBM50083153 C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
BDBM50085972 COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
BDBM50086096 CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
BDBM50085970 COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
BDBM50090515 CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
BDBM50090516 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
BDBM50090517 CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
BDBM50090518 CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
BDBM50090647 C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50090519 CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
BDBM50090520 CCc1ccc2[nH]cc(CCN3CCCC3)c2c1
BDBM50090521 CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
BDBM50090522 CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
BDBM50090523 Cn1cc(CCN)c2cc(ccc12)C(C)(C)C
BDBM50090528 CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
BDBM50088863 NCCc1c[nH]c2ccc(cc12)-c1cccs1
BDBM50088864 COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1
BDBM50088865 OC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1
BDBM50088866 CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(C)s1
BDBM50088867 CN(C)CCc1c[nH]c2ccc(cc12)-c1cccs1
BDBM50088868 C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21|
BDBM50088869 CC1CCC(C)N1CCc1c[nH]c2ccc(cc12)-c1cccs1
BDBM50088870 CN(C)CCc1c[nH]c2ccc(cc12)-c1ccsc1
BDBM50088861 C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CCCC1
BDBM50088862 Clc1ccc(s1)-c1ccc2[nH]cc(CCN3CCCC3)c2c1
BDBM50088860 CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(Cl)s1
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
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|
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50102338 COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
BDBM50102346 COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
BDBM50102359 COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
BDBM50106482 CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
BDBM50106246 CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50106248 CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
BDBM50106249 CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM50106250 CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
BDBM50106251 NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM50106252 CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
BDBM50106247 CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
BDBM50115640 COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
BDBM50115642 COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
BDBM50118576 C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50118577 C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50118579 C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50122411 COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
BDBM50122415 OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.31,.18,;-1.45,1.72,;-.02,2.33,;.99,1.17,;2.53,1.16,)|
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50130427 CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)cc12
BDBM50130429 CCCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130431 CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)cc12
BDBM50130432 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
BDBM50130433 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12
BDBM50130435 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(F)c3)nc12
BDBM50130436 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(C)c3)nc12
BDBM50130437 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccncc3)nc12
BDBM50130438 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)Nc3ccc(F)cc3)nc12
BDBM50130439 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccoc3)nc12
BDBM50130440 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CC3)nc12
BDBM50130441 CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)nc12
BDBM50130442 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccn3)nc12
BDBM50130443 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
BDBM50130462 CN1CCC(CC1)c1c[nH]c2ccc(N)nc12
BDBM50130463 CN1CCC(CC1)c1c[nH]c2ccc(OS(=O)(=O)c3ccc(F)cc3)nc12
BDBM50130466 CN1CCC(CC1)c1c[nH]c2ccc(OS(C)(=O)=O)nc12
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50130278 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
BDBM50130279 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
BDBM50130467 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccs3)nc12
BDBM50130468 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc12
BDBM50130470 COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130471 CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130445 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3)nc12
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130446 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCC3)nc12
BDBM50130447 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccsc3)nc12
BDBM50130448 CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
BDBM50130450 CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12
BDBM50130419 CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)nc12
BDBM50130420 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccco3)nc12
BDBM50130422 CCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130426 CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
BDBM50130451 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc12
BDBM50130453 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)nc12
BDBM50130455 CN1CCC(CC1)c1c[nH]c2ccc(NS(C)(=O)=O)nc12
BDBM50130458 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3C)nc12
BDBM50130459 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3[N+]([O-])=O)nc12
BDBM50130461 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50130268 COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
BDBM50133451 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19|
BDBM50133452 COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 |c:15|
BDBM50133453 COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
BDBM50133454 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19|
BDBM50133455 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |t:19|
BDBM50133456 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC1CCCCC1 |t:19|
BDBM50133457 COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
BDBM50133458 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19|
BDBM50133459 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19|
BDBM50133460 CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1 |t:16|
BDBM50133461 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:32:31:34:27.26.28,32:27:34:31.33.30|
BDBM50133462 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19|
BDBM50133463 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30|
BDBM50133464 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19|
BDBM50133465 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:19|
BDBM50133466 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19|
BDBM50133467 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC1CCCCC1 |t:19|
BDBM50133468 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50132104 COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
BDBM50136493 CC1=NCCc2c1[nH]c1ccccc21 |t:1|
BDBM50136462 CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1
BDBM50136469 CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
BDBM50136470 CN(C)CCn1ccc2ccc(cc12)-c1ccc2ccccc2c1
BDBM50136471 CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1
BDBM50136463 CN(C)CCn1ccc2ccc(cc12)C1=CCOCC1 |t:16|
BDBM50136464 CN(C)CCn1ccc2ccc(cc12)C1CCSCC1
BDBM50136465 CN(C)CCn1ccc2ccc(cc12)C1CCOCC1
BDBM50136466 CN(C)CCn1ccc2ccc(cc12)-c1cccnc1
BDBM50136467 CN(C)CCn1ccc2ccc(cc12)C1=CCSCC1 |t:16|
BDBM50136468 CN(C)CCn1ccc2ccc(cc12)-c1ccsc1
BDBM50139506 COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
BDBM50139507 O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
BDBM50139508 O=S(=O)(N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
BDBM50139509 C(Cc1c[nH]c2ccc(cc12)C1=CCNCC1)N1CCCC1 |t:13|
BDBM50139510 Clc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139511 S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32|
BDBM50139512 Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139513 Cc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139514 O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
BDBM50139515 O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C12CC3CC(CC(C3)C1)C2 |c:6,TLB:28:29:33:26.27.32,THB:28:27:33:34.29.30,30:31:26:34.29.28,30:29:26:33.31.32|
BDBM50139516 S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 |c:6|
BDBM50139517 S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
BDBM50139518 S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
BDBM50139519 O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1 |c:6|
BDBM50139520 Clc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139521 O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
BDBM50139502 COc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
BDBM50139503 Clc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139504 Cc1ccc(cc1)C(=O)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14|
BDBM50139505 COc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:15|
BDBM50145332 COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1 |t:9|
BDBM50145333 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13|
BDBM50145334 NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
BDBM50145336 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13|
BDBM50145337 NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
BDBM50145338 C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12
BDBM50145339 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13|
BDBM50145341 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13|
BDBM50145342 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13|
BDBM50145343 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13|
BDBM50145344 Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
BDBM50145345 NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1
BDBM50145346 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13|
BDBM50145347 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13|
BDBM50145348 NC(=O)c1ccc2C(CCN3CCC(CC3)c3nsc4cc(F)ccc34)OCCc2c1
BDBM50145349 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13|
BDBM50145350 Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
BDBM50145351 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 |c:13|
BDBM50145352 NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1
BDBM50145353 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccc(F)cc34)OCCc2c1 |c:13|
BDBM50145354 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13|
BDBM50145355 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13|
BDBM50145356 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13|
BDBM50145357 NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
BDBM50146360 CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
BDBM50132341 COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
BDBM50151702 Cc1cc(cc(C)c1CC1=NCCCN1)C(C)(C)C |t:10|
BDBM50151703 Cc1cc(cc(C)c1CC1=NCCN1Cc1ccccc1)C(C)(C)C |t:10|
BDBM50151704 CC(C)(C)c1ccc(cc1)C1=NCCN1 |t:11|
BDBM50151705 [#6]-c1cc(cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)C([#6])([#6])[#6]
BDBM50151706 [#6]-c1cccc(-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50151707 Cc1cc(cc(C)c1\[NH+]=C1\NCC[N-]1)[N+]([O-])=O
BDBM50151708 [#6]-c1cc(Br)cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50151709 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/c1ccccc1
BDBM50156402 CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156404 CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156405 CN1CCC(CC1)N1CCOc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156407 CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50156410 CN1CCC(CC1)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50159175 Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
BDBM50159180 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
BDBM50159187 CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50167898 O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50171236 COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50175501 C[C@@H]1CN(CCN1CCC1OCCc2c(Cl)c(sc12)C(N)=O)c1cccc2cc(F)ccc12
BDBM50179073 C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50210633 C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
BDBM50210634 C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
BDBM50210635 NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
BDBM50210636 NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1
BDBM50210637 C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
BDBM50210638 C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9|
BDBM50210639 C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
BDBM50210640 C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13|
BDBM50210641 C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1
BDBM50210642 C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50228649 Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
BDBM50240412 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
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,)|
BDBM50232152 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50240797 CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
BDBM50252659 Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50242259 [#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
BDBM50242927 CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
BDBM50243699 FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1
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,)|
BDBM50267507 COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
BDBM50267508 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50267509 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50267510 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50267555 COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
BDBM50267556 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50267557 COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
BDBM50280055 CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
BDBM50285522 CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N
BDBM50285523 CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12
BDBM50285312 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:26,t:10|
BDBM50285313 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:32,t:10|
BDBM50285314 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:30,t:10|
BDBM50285315 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10|
BDBM50285316 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:28,t:10|
BDBM50285317 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:25,t:10|
BDBM50285318 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10|
BDBM50285319 CCCCCCCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:11|
BDBM50285320 NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:34,t:10|
BDBM50271064 NC(=O)C(CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)N1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50271065 CCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50271066 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
BDBM50271067 OCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50271068 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1
BDBM50271096 CN(C)CCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50271097 OC(=O)CCCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
BDBM50271126 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271127 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271128 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271129 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271130 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271131 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271132 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271133 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271134 CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50271016 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271017 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271018 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271019 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271020 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271021 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271022 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271023 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271024 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271025 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271061 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(C\C=C\CN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50271062 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(CC5)c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)c4)CC3)c2c1
BDBM50271135 CN1CCC(CC1)c1c[nH]c2ccc(N)cc12
BDBM50271063 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)C(F)(F)F)CC3)c2c1
BDBM50290912 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
BDBM50290913 COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
BDBM50290914 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
BDBM50290915 COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
BDBM50290916 CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
BDBM50290918 COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50290919 COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50290921 COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
BDBM50290922 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
BDBM50290923 CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
BDBM50286670 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
BDBM50286671 COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50308182 N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50330511 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50330512 O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330516 Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330522 CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330524 CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330526 O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330533 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50342037 COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCCCC1)C#N
BDBM50342038 COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50334720 NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50334725 O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
BDBM50334731 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
BDBM50334732 Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334733 CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334734 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
BDBM50353901 Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
BDBM50353902 COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
BDBM50353903 Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
BDBM50354585 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
BDBM50354586 CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
BDBM50356277 COc1ccc(NC(=O)c2ccc3N(CC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
BDBM50356604 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
BDBM50356605 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
BDBM50356606 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
BDBM50371974 C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
BDBM50371980 CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
BDBM50371981 C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
BDBM50371982 CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
BDBM50371983 COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
BDBM50371984 COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
BDBM50371985 CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
BDBM50371434 NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|
BDBM50371435 NC1=Nc2cccc(Cl)c2CN1 |t:1|
BDBM50371443 CCC1NC(N)=Nc2cccc(Cl)c12 |c:5|
BDBM50371444 COc1c(Cl)ccc2N=C(N)NC(C)c12 |t:8|
BDBM50371996 C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
BDBM50371445 COc1cccc2C(C)NC(N)=Nc12 |c:11|
BDBM50371446 CCC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:5|
BDBM50371998 C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
BDBM50371459 CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
BDBM50371460 COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
BDBM50371461 CNC1=Nc2c(OC(C)C)cccc2C(C)N1 |t:2|
BDBM50371462 CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
BDBM50371463 CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
BDBM50371464 CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
BDBM50371465 CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
BDBM50371466 CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50366907 NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
BDBM50378386 CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
BDBM50369019 CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50369016 CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50369017 CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50369018 CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1 |r|
BDBM50369021 CN(C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50369022 CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
BDBM50369048 CN(C)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
BDBM50399614 CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
BDBM50399615 CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
BDBM50399616 CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)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
BDBM50408700 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
BDBM50408701 CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12
BDBM50408702 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C
BDBM50408703 COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1
BDBM50408704 COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C
BDBM50408705 CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
BDBM50408706 CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C
BDBM50408707 CN1CCN(CC1)c1cccc(NC(=O)c2ccc(Br)c(C)c2)c1
BDBM50407734 CCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 |r|
BDBM50407735 CCCN[C@@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 |r|
BDBM50407736 CCCN[C@@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1 |r|
BDBM50407737 CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1 |r|
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
BDBM50403957 CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403962 CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403974 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
BDBM50403975 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
BDBM50403976 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
BDBM50403978 CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
BDBM50403897 CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
BDBM50410435 CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12
BDBM50410436 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
BDBM50410437 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
BDBM50410438 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12
BDBM50410439 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cc(C)oc4C(F)(F)F)c3cc12
BDBM50410440 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
BDBM50410441 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12
BDBM50410442 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4C(F)(F)F)c3cc12
BDBM50410424 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
BDBM50410425 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(CC4)C(C)C)c3cc12
BDBM50410426 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
BDBM50410427 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
BDBM50410428 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
BDBM50410429 CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
BDBM50410430 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
BDBM50410431 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4C[C@H](C)N[C@H](C)C4)c3cc12
BDBM50410432 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
BDBM50410433 CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
BDBM50410434 CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
BDBM50413687 C[C@H]1CN(C[C@@H](C)N1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
BDBM50413688 C[C@@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
BDBM50413689 C[C@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
BDBM50413690 C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
BDBM50413691 CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413692 CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413693 CN1CCN(C(=O)C1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413694 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCCC4)CC3)cccc2n1
BDBM50413695 C[C@H]1CN(C[C@@H](C)O1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
BDBM50413696 CN1CCCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413697 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1
BDBM50413698 CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413699 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCNCC4)CC3)cccc2n1
BDBM50413700 CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50413701 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCN(CC4)S(C)(=O)=O)CC3)cccc2n1
BDBM50413702 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccncc4)CC3)cccc2n1
BDBM50413703 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4cccnc4)CC3)cccc2n1
BDBM50413704 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccccc4)CC3)cccc2n1
BDBM50413705 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
BDBM50413706 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCOCC4)CC3)cccc2n1
BDBM50413549 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
BDBM50413550 CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
BDBM50413551 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)CC1
BDBM50413552 CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)ccc12
BDBM50413553 CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
BDBM50413554 CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
BDBM50413555 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
BDBM50413556 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
BDBM50413557 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC(F)F)C(=O)COc23)CC1
BDBM50413558 C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
BDBM50413559 C[C@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
BDBM50413560 CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
BDBM50413561 C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
BDBM50413562 CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
BDBM50413563 C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
BDBM50413564 CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
BDBM50413565 C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
BDBM50413566 Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
BDBM50403491 C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403492 C(CNCC1COc2ccccc2C1)CNC1=NCCCN1 |t:18|
BDBM50403493 C(CNCC1CCc2ccccc2O1)CNc1nc2ccccc2[nH]1
BDBM50403494 C(CNCC1CCc2ccccc2O1)CNC1=NCCCC1 |t:18|
BDBM50403495 C(CCNC1=NCCCN1)CNCC1CCc2ccccc2O1 |t:4|
BDBM50403496 C(CNCC1Cc2ccccc2O1)CNC1=NCCCN1 |t:17|
BDBM50403497 COc1cccc2OC(CNCCCNC3=NCCCN3)CCc12 |t:15|
BDBM50403498 CC(C)NC(NCCCNCC1CCc2ccccc2O1)=NC#N |w:21.23|
BDBM50403499 C(CNCC1CCc2ccccc2O1)CNc1ncccn1
BDBM50403500 C(CNCC1CCc2ccccc2O1)CNc1cnccn1
BDBM50403501 COc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:14|
BDBM50403502 C(CNC1=NCCCN1)NCC1CCc2ccccc2O1 |t:3|
BDBM50403503 C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403504 C(CNc1ncccn1)NCC1CCc2ccccc2O1
BDBM50403505 O=C1CCCN=C(NCCCNCC2CCc3ccccc3O2)N1 |t:5|
BDBM50403506 COc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
BDBM50403507 C(CNCC1CNc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403508 C(CNCC1CCc2ccccc2O1)CNc1ccccn1
BDBM50403509 Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
BDBM50403510 C(CNCC1CCc2ccccc2O1)CNc1ccncn1
BDBM50403511 CN1C(CNCCCNC2=NCCCN2)CCc2ccccc12 |t:9|
BDBM50403512 CC1(CNCCCNC2=NCCCN2)CCc2ccccc2O1 |t:8|
BDBM50403513 C(CNCC1CCCc2ccccc2O1)CNC1=NCCCN1 |t:19|
BDBM50403514 C(CNCC1CCc2ccccc2C1)CNC1=NCCCN1 |t:18|
BDBM50403515 C(CNCC1CCc2ccccc2O1)CNc1nccs1
BDBM50403516 C(CNCC1CCc2ccccc2O1)CNC1=NCCN1 |t:18|
BDBM50403517 CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
BDBM50403518 Fc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:13|
BDBM50403519 C(CCNCC1CCc2ccccc2O1)CCNC1=NCCCN1 |t:20|
BDBM50403520 CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
BDBM50403521 C(CNCC1COc2ccccc2O1)CNC1=NCCCN1 |t:18|
BDBM50403522 COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12 |t:16|
BDBM50417409 CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
BDBM50417410 Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1
BDBM50417411 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
BDBM50417412 Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1
BDBM50417413 Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1
BDBM50417414 Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
BDBM50417415 C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
BDBM50417416 C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
BDBM50417417 C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
BDBM50417418 C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
BDBM50417419 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
BDBM50417420 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
BDBM50417421 CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
BDBM50417422 Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
BDBM50417423 Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1
BDBM50417424 C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
BDBM50417425 C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
BDBM50417426 Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
BDBM50417427 Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
BDBM50413069 Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1 |r|
BDBM50413070 CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
BDBM50413071 C[C@@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
BDBM50413072 C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
BDBM50413073 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
BDBM50413074 Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
BDBM50413075 Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
BDBM50413076 CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
BDBM50413077 CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
BDBM50413078 CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
BDBM50413079 Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413080 Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413081 O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
BDBM50413082 O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
BDBM50413083 O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
BDBM50413084 Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413085 Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50413086 Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
BDBM50413087 Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412983 Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
BDBM50412984 Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412985 Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412114 Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412115 CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
BDBM50412116 COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412117 COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
BDBM50412118 CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412119 Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
BDBM50412120 Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
BDBM50412121 CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412122 CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
BDBM50412123 COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O
BDBM50412124 CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412125 CN(c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1)S(C)(=O)=O
BDBM50412126 CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412127 CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412128 CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412129 CC(C)C(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412130 CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412131 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
BDBM50412132 Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
BDBM50412133 CN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412134 CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
BDBM50412135 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4=O)CC3)cccc2n1
BDBM50412433 Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
BDBM50412434 Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412435 CC(COc1cccc2nc(C)ccc12)N1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412436 Cc1ccc2c(OC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412437 Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412438 Cc1ccc2c(cccc2n1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412439 Cc1ccc2c(OCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
BDBM50412440 Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412441 Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50412442 Cc1ccc2c(OCCCN3CC(C3)Oc3ccc4OCC(=O)Nc4c3)cccc2n1
BDBM50412443 CC(CN1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1)Oc1cccc2nc(C)ccc12
BDBM50412444 Cc1ccc2c(OC3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412445 Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412446 Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50413068 Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
BDBM50421346 NCCc1coc2ccc(cc12)C(N)=O
BDBM50421347 NCCC1COc2ccc(cc12)C(N)=O
BDBM50421348 CN(C)CCc1coc2ccc(cc12)C(N)=O
BDBM50423297 COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM255474 Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
BDBM50058069 COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
BDBM50058214 COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
BDBM50140053 Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140054 Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140055 Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140056 Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140058 C=CCN(CCc1c[nH]c2ccccc12)CC=C
BDBM50148831 NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
BDBM50148832 CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
BDBM50148833 CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
BDBM50147217 Cl.COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
BDBM50147322 Cl.COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
BDBM50147338 Cl.Oc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
BDBM50147335 Cl.Oc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
BDBM50148830 CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50207400 CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
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,)|