SMILES for Solute carrier organic anion transporter family member 1B3

122 SMILES Strings for Solute carrier organic anion transporter family member 1B3

Compound Name

SMILES String

CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |w:13.13|

BDBM86671

CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |w:20.19|

BDBM172718

CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

BDBM172715

CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(CC)C(=O)C(C)N(C)C1=O)C(C)C

BDBM172717

CC(C)[C@@H]1NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC(=O)C2CCCN(N2)C(=O)[C@H](Cc2cc(O)cc(F)c2)NC1=O)C(\C)=C\C=C\C(=O)N1CCCCO1 |r,t:19,21|

BDBM50427512

[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)\c1ccc(-[#8])cc1 |c:10,14|

BDBM50442865

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2 |r|

BDBM50442878

[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)[C@]4([H])CC=C4C6CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@]54C)[C@H]3CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:38|

BDBM46355

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

BDBM50442901

CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C

BDBM50442887

[H][C@@]12O[C@]1([H])[C@]1(C)[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)[C@H](O)C[C@@]1([H])C(C)(C)C2=O)c1ccoc1 |r|

BDBM50442897

Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O

BDBM38549

c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O

BDBM50442868

CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1

BDBM50294526

CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O

BDBM50442898

[H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@@H](C[C@]1([H])C(C)(C)[C@@H](CC[C@@]21C)OC(C)=O)OC(C)=O)c1ccoc1 |r,c:10|

BDBM54988

CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C

BDBM50148733

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |c:11,t:7|

BDBM50442907

[H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48|

BDBM50442875

Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC(=O)c12

BDBM50442909

[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]C([#6])([#6])[#6]=[#6]-c2c2oc(=O)c(c(-[#8])c12)-c1ccc(-[#8])cc1 |c:14|

BDBM50404044

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

BDBM50442880

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|

BDBM50442904

CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1 |r,c:21|

BDBM50442894

[#6]-[#8]-[#6](=O)-[#6](\[#6])=[#6]/[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6])c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8]C134)-[#6]2=O |c:25,t:16,TLB:9:8:13.14:17.16,18:17:8.46:13.14,44:45:9.10:46.15.14,7:8:13.14:17.16,THB:16:15:45:9.10,47:46:45:9.10,47:46:13.14:17.16,17:45:9.10:46.15.14,10:13:8.46:17.16|

BDBM50442900

[H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@@H](C[C@]1([H])C(C)(C)C(=O)C=C[C@@]21C)OC(C)=O)c1ccoc1 |r,c:10,25|

BDBM50442902

[H][C@]12O[C@@]11[C@](C)(CC[C@]3([H])[C@@]4(C)[C@H](C[C@@H](OC(C)=O)C(C)(C)[C@]4([H])C[C@@H](O)[C@]13C)OC(C)=O)[C@H](OC2=O)c1ccoc1 |r|

BDBM50442867

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#8]C45[#6](-[#6]-[#6]-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)C([#6])([#6])[#8][C@@]5([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)[#6](-[#8])=O |c:22,33|

BDBM50442877

COC(=O)C(OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |r,TLB:35:34:31.32.29:16.36.17|

BDBM50442874

CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1

BDBM50442884

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c2c1cc(cc(O)c2=O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

BDBM22319

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O

BDBM50442903

COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8|

BDBM50110590

Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C

BDBM50442890

[H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@@H](C[C@]1([H])C(C)(C)[C@H](O)C=C[C@@]21C)OC(C)=O)c1ccoc1 |r,c:10,25|

BDBM31688

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

BDBM50442869

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)OC |r|

BDBM19459

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

BDBM50442891

O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |wD:31.34,12.14,42.48,1.0,(14.91,-3,;16.37,-3.52,;17.54,-2.52,;18.97,-3.03,;20.14,-2.04,;19.94,-.74,;21.6,-2.55,;21.88,-4.06,;23.26,-4.14,;20.71,-5.06,;19.26,-4.56,;18.09,-5.55,;16.66,-5.03,;15.29,-5.77,;13.98,-4.98,;12.63,-5.72,;11.29,-4.91,;12.59,-7.25,;11.25,-7.99,;13.91,-8.04,;13.91,-8.86,;15.26,-7.29,;16.41,-8.33,;17.88,-7.85,;18.2,-6.32,;19.02,-8.86,;20.48,-8.39,;18.71,-10.36,;19.88,-11.42,;17.25,-10.86,;16.1,-9.83,;14.64,-10.32,;13.3,-9.55,;11.97,-10.32,;10.65,-9.55,;9.32,-10.32,;8.31,-9.59,;9.32,-11.86,;10.65,-12.63,;10.63,-13.94,;11.97,-11.86,;13.3,-12.63,;14.64,-11.86,;15.97,-12.63,;15.97,-14.16,;14.64,-14.93,;17.3,-14.93,;17.3,-16.48,;18.64,-17.24,;18.62,-18.78,;19.97,-16.48,;21.29,-17.24,;19.96,-14.93,;21.29,-14.15,;18.62,-14.16,)|

BDBM50442879

Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |r|

BDBM50378137

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC |r|

BDBM50442888

CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)\C(C2[C@]23OC4(C)O[C@]12[C@]1(C)[C@@H](CC(=O)OC)C2(C)CC1(O4)[C@](OC)(C2OC(C)=O)[C@H]3OC)=C(/OC)C(C)C)c1ccoc1 |r,TLB:41:40:24.26:34,21:20:24:37.18.45,THB:23:24:37.40:34,19:20:24:37.18.45,38:37:24.26:34,25:24:37.40:34,45:37:24.26:34,27:26:37.40:34|

BDBM50005106

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O

BDBM50442885

[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C=C3[C@]1(C)[C@@H](C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C)OC(C)=O)c1ccoc1 |r,c:10|

BDBM82258

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50005105

[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O

BDBM50442892

CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O

BDBM50442908

CC(C)CCCC1(C)Oc2c(CCC(C)C)c3OC45C6CC(CC4C(=O)c3c(O)c2C=C1)C(O)C5(CCC(C)C(O)=O)OC6(C)C |c:33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22|

BDBM50148911

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

BDBM50442889

CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1 |r|

BDBM50442866

[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r|

BDBM50442905

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22|

BDBM50442896

COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1O

BDBM23223

CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|

BDBM50442883

[H][C@]12O[C@@]11[C@@](C)(C[C@@H](OC(C)=O)[C@]3([H])[C@@]4(C)[C@H](C[C@@H](OC(C)=O)C(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)OC(C)=O)[C@@H](OC2=O)c1ccoc1 |r|

BDBM96262

CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C

BDBM50442882

[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C=C3[C@]1(C)[C@@H](C[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)OC(C)=O)c1ccoc1 |r,c:10|

BDBM50233538

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|

BDBM50442871

[H][C@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O |r,t:16|

BDBM50043280

CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C

BDBM50307109

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|

BDBM50442876

[H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1 |r,c:10|

BDBM50318907

CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50442872

[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@H](CC(=O)OC)[C@@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@H](OC(=O)C[C@]3(O2)C1=C)c1ccoc1 |r,TLB:18:17:32:23.22.21,THB:11:17:32:23.22.21,2:1:32:23.22.21|

BDBM50153015

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|

BDBM79589

[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C([O-])=O

BDBM50442899

COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC

BDBM50442881

COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|

BDBM50442886

[H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46|

BDBM50442870

[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=C[C@H](O)C(C)(C)[C@]4([H])CC(=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r,c:13|

BDBM50442873

[H][C@@]1([C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@@H](CC(=O)[C@]2(O)C1=C)c1ccoc1)[C@@]1(C)[C@H](CC(=O)O[C@](C)(COC(C)=O)[C@@H]1C(=O)OC)OC(C)=O |r|

BDBM50442911

CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:15|

BDBM50005104

CCCCCN(CCCCC)C(=O)C(CCC([O-])=O)NC(=O)c1ccc(Cl)c(Cl)c1

BDBM50339127

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|

BDBM50030493

[H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r|

BDBM67690

c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO

BDBM50139772

CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|

BDBM50127140

C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O

BDBM50012278

CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|

BDBM50001839

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C

BDBM50003677

c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl

BDBM50062551

[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|

BDBM50088491

COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|

BDBM50061554

COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|

BDBM50088500

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:8|

BDBM50248106

Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|

BDBM50370232

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|

BDBM50391000

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25|

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM22984

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|

BDBM50022815

BDBM13934

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|

BDBM50097125

OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:10.10|

BDBM520

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

BDBM20688

[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|

BDBM17638

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O

BDBM50394837

CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C

BDBM50013920

CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

BDBM50442906

[H][C@]12CC[C@@H](CC)\C=C\C=C\C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C(=O)O[C@]([H])([C@@H]1C)[C@H](C)[C@@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)O2 |r,t:7,9,35|

BDBM50191588

CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C

BDBM50442913

[H][C@@]1(CC[C@H](C)[C@@]([H])(O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@H](C)O3)[C@H](O)C=C2)[C@H](C)C[C@@H]1C)[C@@H](CC)C([O-])=O

BDBM50442914

[H][C@]12C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@H](OC(=O)C[C@]3(O2)C1=C)c1ccoc1 |r,THB:8:14:29:20.19.18,15:14:29:20.19.18,2:1:29:20.19.18|

BDBM50442915

CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@@]2(C)C2CC[C@@]3(C)[C@H](OC(=O)C=C3[C@@]12C)c1ccoc1 |r,c:27|

BDBM50442916

CC(=O)O[C@H]1CC[C@@]2(C)C3CC[C@]4(C)[C@H](OC(=O)C=C4[C@@]3(C)[C@@H](CC2C1(C)C)OC(C)=O)c1ccoc1 |r,c:18|

BDBM50466485

CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|

BDBM50386790

Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|

BDBM50185127

CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|

BDBM50542676

CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r|

BDBM50542677

CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCC#C)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r|

BDBM50542678

CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r|

BDBM50511112

COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2

BDBM207624

C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|

BDBM50576849

CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C

BDBM50581550

C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1

BDBM50581551

CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

BDBM50581552

CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

BDBM311267

CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|

BDBM50600733

CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.20,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.43,3.86,;-3.43,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-7.97,3.6,;-5.55,1.74,;-8.37,2.11,;-9.46,3.2,;-9.91,2.11,;-8.77,.62,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.41,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-10.08,-3.09,;-8.75,-5.4,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|

BDBM311268

CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|

BDBM50636599

CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1

BDBM423212

C[C@H]1CN(Cc2cnn(n2)-c2cc(C)c(cn2)C#N)C[C@H](N1)c1ccc2C(=O)OCc2c1C |r|

BDBM50646058

c1cc2c(nc1)CC3([C@@H]2N)CCN(CC3)c4cnc(c(n4)N)Sc5ccnc(c5Cl)N