188 SMILES Strings for Solute carrier organic anion transporter family member 1B1

Compound Name
SMILES String
Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
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
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
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|
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
[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|
[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|
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O
[#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|
[#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|
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|
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
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|
CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
[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|
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
[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|
[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|
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
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|
[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|
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|
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|
[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|
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,)|
[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|
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
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|
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
COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1O
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
[#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|
[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
CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O
[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|
c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
[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|
[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|
[#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|
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
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
[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|
[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|
COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
[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|
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|
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
[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|
COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
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|
N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O |r|
CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:15|
[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|
Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC(=O)c12
[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|
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
[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)\c1ccc(-[#8])cc1 |c:10,14|
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O
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|
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|
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COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCOCC1
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
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|
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|
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|
COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2[C@@H](CCc12)c1ccccc1 |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
[H][C@]1(O[C@H](C[C@H]1C)Sc1cccc(OCc2ccccc2)c1)[C@]1([H])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](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C |r|
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36|
CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C
COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1c(C)cc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r,wU:18.26,19.27,wD:15.16,(-2.67,8.32,;-2.67,6.78,;-1.33,6.01,;,6.78,;1.33,6.01,;1.33,4.47,;,3.7,;-1.33,4.47,;-2.67,3.7,;-4,4.47,;-4,6.01,;-5.33,3.7,;-5.33,2.16,;-4,1.39,;-2.67,2.16,;-1.33,1.39,;.13,1.87,;1.04,.62,;.13,-.62,;.13,-2.16,;-1.33,-2.64,;-2.24,-1.39,;-3.78,-1.39,;-1.33,-.15,;1.46,-2.93,;2.8,-2.16,;4.13,-2.93,;4.13,-4.47,;2.8,-5.24,;1.46,-4.47,;2.8,-6.78,;1.46,-7.55,;4.13,-7.55,;2.8,-8.32,;5.47,-2.16,;6.8,-2.93,;5.47,-.62,;6.8,-1.39,;-6.67,1.39,;-8,2.16,;-6.67,-.15,;-8,.62,;2.67,3.7,;2.67,2.16,;4,1.39,;5.33,2.16,;5.33,3.7,;4,4.47,;4,6.01,;6.67,1.39,;8,2.16,;6.67,-.15,)|
COc1ccc(cc1-c1cnc(nc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1ncc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(F)ccc1-c1cc(c(F)cc1OC)-c1ccc(cc1C)C(O)=O |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(ccc1OC)-c1c(C)cc(cc1C)C(O)=O)C(F)(F)F |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(CCC(O)=O)ccc1OC)C(F)(F)F |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(ccc1OC)C1CNC(=O)OC1(C)C)C(F)(F)F |r|
CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83|
COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94|
COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
CN(C1CCCC1)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1 |r|
CCCCN(C)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r|
CN(C1CCCC1)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)nn1 |r|
CN(C1CCCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1 |r|
CN(C1CCCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r|
CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1cnc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
Cc1nc(C)c(-c2ccc(OCCc3ccc(cc3)C#N)cc2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O |r|
CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)c1ccc([C@](O)(c2cccc(-c3noc(C(C)(C)O)n3)c2)C2(C)CN(C)C2)cc1
C[C@H]1CN(Cc2cnn(n2)-c2cc(C)c(cn2)C#N)C[C@H](N1)c1ccc2C(=O)OCc2c1C |r|
c1cc2c(nc1)CC3([C@@H]2N)CCN(CC3)c4cnc(c(n4)N)Sc5ccnc(c5Cl)N
CC(C)C1=CC(=NNC1=O)Oc2c(cc(cc2Cl)N3C(=O)NC(=O)C(=N3)N)Cl
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|