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132 SMILES Strings for ATP-citrate synthase

Compound NameSMILES String
BDBM15361 [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20|
BDBM50004264 OC(=O)C[C@H](C[C@@]1(O)CNC1=O)C(O)=O
BDBM50004265 OC(=O)C[C@H](C[C@]1(O)CNC1=O)C(O)=O
BDBM50018564 CC(C)(CCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50018565 CC(C)(CCCCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50018566 CC(C)(CCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50018567 CC(C)(CCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50018568 CC(C)(CCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50018569 CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
BDBM50036218 OC(=O)CC(S)(CC(O)=O)C(O)=O
BDBM50036219 OC(=O)C[C@](O)([C@H](S)C(O)=O)C(O)=O
BDBM50036220 OC(=O)C[C@@]1(O[C@@H]1C(O)=O)C(O)=O
BDBM50036221 OC(=O)C[C@](O)([C@@H](S)C(O)=O)C(O)=O
BDBM50036222 OC(=O)C\C(=C\C(O)=O)C(O)=O
BDBM50036210 O[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
BDBM50036211 CSSC(CC(O)=O)(CC(O)=O)C(O)=O
BDBM50036212 OC(=O)C\C(=C/C(O)=O)C(O)=O
BDBM50036213 OC(=O)[C@H](Cl)[C@@]1(CC(=O)O1)C(O)=O
BDBM50036214 OC(=O)C[C@](O)([C@@H](Cl)C(O)=O)C(O)=O
BDBM50036215 OC(=O)C[C@@]1(O[C@H]1C(O)=O)C(O)=O
BDBM50036216 OC(=O)CC(=C)C(O)=O
BDBM50036217 CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
BDBM50053011 OC(=O)CCCSCCCCCCc1ccc(Cl)cc1Cl
BDBM50053012 OC(=O)CC(O)(CSCCCCCOc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053013 OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O
BDBM50053014 OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50053015 OC(=O)CC(O)(CSCCCCCCc1ccccc1-c1ccccc1)C(O)=O
BDBM50053016 OC(=O)CC(O)(CSCCCC\C=C\c1ccc(Cl)cc1Cl)C(O)=O
BDBM50053017 Cc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)c(C)c1
BDBM50053018 OC(=O)CC(O)(CSCCCCCSc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053019 OC(=O)CC(O)(CSCCCCCc1ccccc1)C(O)=O
BDBM50053020 OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053021 OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)[N+]([O-])=O)C(O)=O
BDBM50053022 OC(=O)CC(O)(CSCCCCCCc1ccccc1Cc1ccccc1)C(O)=O
BDBM50053023 CN(CCCCSCC(O)(CC(O)=O)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1Cl
BDBM50053024 OC(CSCCCCCCc1ccc(Cl)cc1Cl)CC(O)=O
BDBM50053025 OC(=O)CC(O)(CSCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053026 OC(=O)CC(O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O
BDBM50053027 OC(=O)CC(O)(CCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053028 OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1)C(O)=O
BDBM50053029 OC(=O)CC(O)(CSCCCCCCc1c(Cl)cc(Cl)cc1-c1ccccc1)C(O)=O
BDBM50053030 OC(=O)CC(O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(O)=O
BDBM50053031 NS(=O)(=O)c1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)cc1
BDBM50052978 OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(O)=O
BDBM50052979 OC(=O)CC(O)(CSCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50052980 OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1Cl)C(O)=O
BDBM50052981 OC(=O)CC(O)(CSCCCCCCc1ccc(F)cc1F)C(O)=O
BDBM50052982 COc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)cc1
BDBM50052983 OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O
BDBM50052984 OC(=O)CC(O)(CSCCCc1ccc2ccccc2c1)C(O)=O
BDBM50052985 OC(=O)CC(O)(CSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50052986 OC(=O)CC(O)(CSCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50052987 OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1[N+]([O-])=O)C(O)=O
BDBM50052988 OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50052989 OC(=O)CC(O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50052990 OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)C(O)=O)C(O)=O
BDBM50052991 OC(=O)CC(O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(O)=O
BDBM50052992 OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O
BDBM50052993 OC(=O)CC(O)(CSCCCCCCc1cccc2ccccc12)C(O)=O
BDBM50052994 OC(=O)CC(O)(CSCCCCCCc1ccc(F)cc1)C(O)=O
BDBM50052995 OC(=O)CC(O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50052996 OC(=O)CC(O)(CSCCCC\C=C/c1ccc(Cl)cc1Cl)C(O)=O
BDBM50052997 OC(=O)CC(O)(CSCCCCCS(=O)c1ccc(Cl)cc1Cl)C(O)=O
BDBM50052998 OC(=O)CC(O)(CSCCCCCCc1ccc(O)cc1)C(O)=O
BDBM50052999 OC(=O)CC(O)(CSCCCCCCc1ccc2ccccc2c1)C(O)=O
BDBM50053000 OC(=O)CC(O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053001 OC(=O)CC(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053002 OC(=O)CC(O)(CSCCCCCCc1c(Cl)cccc1Cl)C(O)=O
BDBM50053003 OC(=O)CC(O)(CSCCCCCCc1ccccc1Cl)C(O)=O
BDBM50053004 OC(=O)CC(O)(CSCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053005 OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O
BDBM50053006 OC(=O)CC(O)(CSCCCCCS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O
BDBM50053007 OC(=O)CC(O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053008 OC(=O)CC(O)(CSCCCCCCc1ccc(Br)cc1)C(O)=O
BDBM50053009 OC(=O)CC(O)(CSCCCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50053010 OC(=O)CC(O)(CSCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50066696 N[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
BDBM50066697 OC(=O)C[C@@](O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50066698 O[C@H](CCCCCn1cc(-c2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066699 O[C@H](CCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066700 COc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066701 O[C@@H](CCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O
BDBM50066702 O[C@H](CCCCCCc1ccc(Cl)cc1-n1cccc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066703 COc1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066704 O[C@H](CCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066672 O[C@H](CCCCCCc1ccc(Cl)cc1OCc1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066673 O[C@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066674 O[C@@H](CCCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O
BDBM50066675 Cc1cn(CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O)c2ccc(Cl)cc12
BDBM50066676 O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@@H](O)C(O)=O)C(O)=O
BDBM50066677 Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066678 O[C@H](CCCCCn1c2CCCCc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066679 O[C@H](CCCCCn1cc([N+]([O-])=O)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066680 Cc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066681 O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066682 O[C@H](CCCCCn1c2ccccc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066683 O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066684 OC(=O)C[C@@](O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O
BDBM50066685 O[C@H](CCCCCn1ccc2cc(Cl)cc(Cl)c12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066686 O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066687 O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(F)cc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066688 O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@H](O)C(O)=O)C(O)=O
BDBM50066689 O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066690 O[C@H](CCCCCn1ccc2ccc(Cl)cc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066691 Cc1cc2cc(Cl)ccc2n1CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066692 O[C@@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066693 O[C@H](CCCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066694 O[C@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
BDBM50066695 O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1)C[C@](O)(CC(O)=O)C(O)=O
BDBM50209007 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
BDBM50209008 CC(C)(C)c1ccc(c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)C(C)(C)C
BDBM50209009 CC(C)C1CCC(C)CC1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O |w:9.10,3.2,6.6|
BDBM50209010 COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
BDBM50209011 CN(C(C)=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
BDBM50209012 CCCCCCc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
BDBM50209013 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50209014 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)OC\C=C/c1ccccc1
BDBM50209015 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
BDBM50209017 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1
BDBM50209018 CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc(c1)C(C)(C)C
BDBM50368516 CS(N)(=O)=C[C@@](O)(CC(O)=O)C(O)=O
BDBM50394677 OC(=O)C[C@@](O)(C(O)=O)C(F)(F)C(O)=O |r|
BDBM50394678 OC(=O)C[C@](O)(C(O)=O)C(F)(F)C(O)=O |r|
BDBM50394667 OC(=O)[C@H]1OC(=O)C[C@@]1(O)C(O)=O |r|
BDBM50394668 O[C@@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@@](O)(CC(O)=O)C(O)=O |r|
BDBM50394669 O[C@@H](CCCCCn1c2ccccc2c2cc(Cl)ccc12)C[C@@](O)(CC(O)=O)C(O)=O |r|
BDBM50394670 O[C@@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@@](O)(CC(O)=O)C(O)=O |r|
BDBM50394671 Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O |r|
BDBM50394672 O[C@@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@@](O)([C@@H](O)C(O)=O)C(O)=O |r|
BDBM50394675 Oc1ccc(CCn2c3=C(C(=O)c4cc(O)c(O)cc4-c3c3-c4cc(O)c(O)cc4C(=O)C(c4ccc(O)c(O)c4)=c23)c2ccc(O)c(O)c2)cc1 |t:8,44|
BDBM50394674 Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3Cc2c1
BDBM50394676 OC(=O)C[C@]1(O[C@H]1C(O)=O)C(O)=O |r|