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731 SMILES Strings for Metabotropic glutamate receptor 4 (mGluR4)

Compound NameSMILES String
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17662 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
BDBM17664 N[C@@H](COP(O)(O)=O)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM49388 O=C1CCOc2cc(OCc3ccccc3)ccc12
BDBM55081 [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
BDBM55082 COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM55083 Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM55084 Fc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM55085 Oc1ccc(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(3.08,5.02,;4.54,5.5,;5.02,6.96,;6.56,6.96,;7.04,5.5,;8.5,5.02,;5.79,4.59,;5.79,3.05,;7.12,2.28,;7.12,.74,;5.79,-.03,;5.79,-1.57,;7.12,-2.34,;8.46,-1.57,;7.12,-3.88,;5.79,-4.65,;5.79,-6.19,;7.12,-6.96,;8.46,-6.19,;8.46,-4.65,;4.46,.74,;4.46,2.28,;3.12,3.05,)|
BDBM55086 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O
BDBM55087 Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM55088 Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(7.68,2.7,;7.2,1.24,;5.75,.77,;4.41,1.54,;3.08,.77,;3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.2,-1.24,;7.68,-2.7,;8.1,,;9.64,,;10.41,1.33,;11.95,1.33,;12.72,,;14.26,,;15.03,1.33,;14.26,2.67,;16.57,1.33,;17.34,2.67,;18.88,2.67,;19.65,1.33,;18.88,,;17.34,,;11.95,-1.33,;10.41,-1.33,;9.64,-2.67,)|
BDBM55089 Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |wU:3.7,wD:6.6,TLB:9:8:7:5.4,THB:1:2:7:5.4,(10.27,3.88,;9.13,2.85,;7.63,3.17,;3.79,4.86,;.97,3.69,;1.37,2.21,;4.19,3.38,;4.93,6.38,;6.86,1.84,;7.89,.7,;7.57,-.81,;9.29,1.32,;10.62,.55,;10.62,-.99,;11.95,-1.76,;13.29,-.99,;14.62,-1.76,;14.62,-3.3,;13.29,-4.07,;15.95,-4.07,;17.29,-3.3,;18.62,-4.07,;18.62,-5.61,;17.29,-6.38,;15.95,-5.61,;13.29,.55,;11.95,1.32,;11.95,2.86,)|
BDBM55090 [H][C@@]12C(C(=O)N(C1=O)c1ccc(NC(=O)c3ccccn3)cc1Cl)[C@@]1([H])CC[C@]2([H])C=C1 |c:34,TLB:6:1:27.26:30.31,THB:3:2:27.26:30.31|
BDBM55091 CC1(C)c2c1c(O)n(c2O)-c1ccc(NC(=O)c2ccccn2)cc1Cl |(19.1,-1.33,;18.33,,;19.1,1.33,;17,.77,;17,-.77,;15.54,-1.25,;15.06,-2.71,;14.63,,;15.54,1.25,;15.06,2.71,;13.09,,;12.32,-1.33,;10.78,-1.33,;10.01,,;8.47,,;7.7,-1.33,;8.47,-2.67,;6.16,-1.33,;5.39,,;3.85,,;3.08,-1.33,;3.85,-2.67,;5.39,-2.67,;10.78,1.33,;12.32,1.33,;13.09,2.67,)|
BDBM55092 CC1(C)CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM55093 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
BDBM55094 Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
BDBM55095 CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM77724 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccnc2)s1
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM86213 CCOC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM85015 CC(N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O
BDBM85016 CC(N)(CCP(O)(O)=O)C(O)=O
BDBM85017 N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
BDBM85075 CC1(CP(O)(O)=O)CC1(N)C(O)=O
BDBM86717 Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
BDBM50004051 NC(CCP(O)(O)=O)C(O)=O
BDBM50004852 Cc1o[nH]c(=O)c1C(N)C(O)=O
BDBM50004863 N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50004881 NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50007547 NC1(CC1CP(O)(O)=O)C(O)=O
BDBM50007548 N[C@@H](CCP(O)(O)=O)C(O)=O |r|
BDBM50017229 N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
BDBM50021548 N[C@]1(CC[C@@H](C1)P(O)(O)=O)C(O)=O
BDBM50021550 N[C@]1(CC[C@H](C1)P(O)(O)=O)C(O)=O
BDBM50031703 C[C@@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50030627 CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030628 NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50030629 NC(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030630 NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
BDBM50034503 N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
BDBM50034504 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50038038 N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
BDBM50049748 N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
BDBM50053588 N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM50052255 N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052256 N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052398 N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
BDBM50052551 Cc1o[nH]c(=O)c1CCC(N)C(O)=O
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50052555 Cc1o[nH]c(=O)c1CCCC(N)C(O)=O
BDBM50056272 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50060134 NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50060135 NC1(CC(C(C1)C(O)=O)C(O)=O)C(O)=O
BDBM50060136 N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50060137 N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50060719 Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
BDBM50063485 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
BDBM50064245 N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
BDBM50064246 N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064247 N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064248 N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
BDBM50070575 CNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50070576 OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1
BDBM50070577 CCNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50069111 N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
BDBM50072169 CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072170 CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072171 C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072172 CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072173 CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072174 CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072176 NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
BDBM50072177 CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50071150 N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071151 N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071155 N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
BDBM50071152 N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071156 CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071159 N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
BDBM50071161 N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071162 C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
BDBM50071164 CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071165 N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071166 N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071167 N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071168 N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
BDBM50076392 C[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50076393 N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50074749 N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50074750 N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50078596 NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50079183 N[C@H](C(O)=O)c1cc(O)cc(O)c1
BDBM50080064 Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50084141 Cc1cccc(\C=C\c2ccccc2)n1
BDBM50089514 NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
BDBM50089515 NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
BDBM50089516 N[C@@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
BDBM50089517 NC1(C[C@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50089518 N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O
BDBM50089890 N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089891 C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
BDBM50089892 CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|
BDBM50089895 N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
BDBM50089897 N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089898 N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50089902 CC(C)(N)CCP(O)(O)=O
BDBM50089906 N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
BDBM50089910 CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50089911 N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O
BDBM50089912 N[C@@H](CC(=C)C(O)=O)C(O)=O
BDBM50089914 NC(C(O)=O)c1cccc(O)c1
BDBM50089105 NC1(CC(C1)=CP(O)(O)=O)C(O)=O |(12.3,1,;12.3,-.54,;10.76,-.54,;10.76,-2.1,;12.3,-2.08,;9.68,-3.2,;8.14,-3.2,;7.05,-4.29,;8.54,-4.67,;7.73,-1.7,;13.84,-.54,;14.61,-1.85,;14.61,.79,)|
BDBM50138781 C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
BDBM50132507 CC(=O)N1CCCn2nc(COc3ccccc3)cc12
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|
BDBM50132780 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
BDBM50132781 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1
BDBM50132782 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1
BDBM50132783 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1
BDBM50132710 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O
BDBM50132712 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132773 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O
BDBM50132798 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12
BDBM50132799 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12
BDBM50132784 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1
BDBM50132800 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
BDBM50132801 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12
BDBM50132802 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132803 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132804 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132807 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132808 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132806 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132809 Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2ccccc2C1=O
BDBM50132786 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1
BDBM50132787 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O
BDBM50132785 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1
BDBM50132788 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O
BDBM50132789 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O
BDBM50132790 Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
BDBM50132791 Cc1ccoc1C(=O)Nc1ncc(cn1)N1C(=O)c2ccccc2C1=O
BDBM50132792 Cc1ccoc1C(=O)Nc1ccc(cn1)N1C(=O)c2ccccc2C1=O
BDBM50132795 Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O
BDBM50132793 COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O
BDBM50132796 Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O
BDBM50132797 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O
BDBM50132775 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F
BDBM50132777 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F
BDBM50132779 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)c1
BDBM50132805 Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2ccccc2C1=O
BDBM50132776 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F
BDBM50132774 COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O
BDBM50132778 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F
BDBM50132794 Cc1ccoc1C(=O)Nc1ccc(cc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
BDBM50177053 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50217030 N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
BDBM50217031 N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
BDBM50220145 N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220146 N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50220148 N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220149 N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220150 N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220151 N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220153 N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220154 N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50263669 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|
BDBM50263670 CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
BDBM50256728 Cc1nc2ccccc2nc1N=NCc1ccccc1O |w:11.12|
BDBM50256729 Cc1nc2ccccc2nc1N=NCc1ccc(F)cc1 |w:11.12|
BDBM50256755 COC(=O)c1ccc(cc1)N1C(Nc2ccccc2C1=O)C(C)c1ccccc1
BDBM50256684 Cc1nc2ccccc2nc1N=NCc1ccc(O)cc1 |w:11.12|
BDBM50256685 Cc1nc2ccccc2nc1N=NCc1cccc(O)c1 |w:11.12|
BDBM50256731 CC(C1Nc2ccccc2C(=O)N1c1ccc(C)cc1)c1ccccc1
BDBM50256732 CC(C1Nc2ccccc2C(=O)N1c1cccc(F)c1)c1ccccc1
BDBM50256730 Cc1nc2ccccc2nc1N=NCc1ccccc1 |w:11.12|
BDBM50254338 N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50254389 N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50254390 N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50254391 N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50254392 N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50252048 COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252050 N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
BDBM50252051 CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252052 CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50254337 N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50278924 CNc1ncc(cn1)C#Cc1ccccc1
BDBM50278930 Cc1cccc(c1)C#Cc1ncccn1
BDBM50293714 COc1cc(NC(=O)c2ccccn2)ccc1F
BDBM50293715 O=C(Nc1ccc2OCOc2c1)c1ccccn1
BDBM50293716 COc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50293717 COc1ccc(NC(=O)c2ccccn2)cc1OC
BDBM50293718 COc1cc(NC(=O)c2ccccn2)ccc1C
BDBM50293719 FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1
BDBM50293720 FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
BDBM50293721 COc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293722 FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
BDBM50293723 Clc1ccc(NC(=O)c2ccco2)cc1Cl
BDBM50293724 Clc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl
BDBM50293725 Clc1ccc(NC(=O)c2ccc(o2)-c2ccccc2)cc1Cl
BDBM50293726 Clc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl
BDBM50293727 Cn1cccc1C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50293728 Clc1ccc(NC(=O)c2ccno2)cc1Cl
BDBM50293729 Clc1ccc(NC(=O)c2ccsc2)cc1Cl
BDBM50293730 Clc1ccc(NC(=O)C2CCCCC2)cc1Cl
BDBM50293731 Clc1ccc(NC(=O)c2ccccc2)cc1Cl
BDBM50293732 Clc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50293733 Clc1ccc(NC(=O)c2cnccn2)cc1Cl
BDBM50293734 Clc1ccc(NC(=O)c2ccncn2)cc1Cl
BDBM50293735 Cc1cc(NC(=O)c2ccco2)ccc1Br
BDBM50293736 Clc1cccc(NC(=O)c2ccco2)c1
BDBM50293737 COc1cc(NC(=O)c2ccccn2)ncn1
BDBM50293738 FC(F)(F)c1cccc(NC(=O)c2ccccn2)n1
BDBM50293739 Fc1ccc(NC(=O)c2ccccn2)cc1C(F)(F)F
BDBM50293740 COc1nc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293741 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50293742 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1C#N
BDBM50293743 Clc1cccc(NC(=O)c2ccccn2)c1
BDBM50301218 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1 |r|
BDBM50301219 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
BDBM50301220 NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r,c:5|
BDBM50301221 OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r,c:5|
BDBM50301223 Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2C#N)c1 |r|
BDBM50301224 Oc1c2CCCCc2c(O)n1-c1cc(Cl)cc(Cl)c1
BDBM50301228 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
BDBM50301229 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 |r|
BDBM50301222 Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2c2nnn[nH]2)c1 |r|
BDBM50301225 Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)NCC2CC2)c1 |r|
BDBM50301226 CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
BDBM50301227 CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
BDBM50326793 N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|
BDBM50326794 N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|
BDBM50323564 Nc1nccc(CCc2ccccc2)n1
BDBM50323565 Nc1nccc(n1)C#Cc1ccccc1
BDBM50323566 Nc1ncc(cn1)[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50323567 Nc1nccc(n1)-c1cc2ccccc2o1
BDBM50323568 Nc1nccc(n1)-c1cc2ccccc2s1
BDBM50323569 Nc1nccc(n1)-c1ccc2ccccc2c1
BDBM50323570 Nc1nccc(\C=C\c2ccccc2F)n1
BDBM50323571 Nc1nccc(\C=C\c2cccc(F)c2)n1
BDBM50323572 Nc1nccc(\C=C\c2ccc(F)cc2)n1
BDBM50323573 Nc1nccc(\C=C\c2ccccc2C#N)n1
BDBM50323574 Nc1nccc(\C=C\c2cccc(c2)C#N)n1
BDBM50323575 Nc1nccc(\C=C\c2ccc(cc2)C#N)n1
BDBM50323576 Cc1ccccc1\C=C\c1ccnc(N)n1
BDBM50323577 Cc1cccc(\C=C\c2ccnc(N)n2)c1
BDBM50323578 Cc1ccc(\C=C\c2ccnc(N)n2)cc1
BDBM50323579 Nc1nccc(\C=C\c2cccs2)n1
BDBM50323580 Nc1nccc(\C=C\c2ccco2)n1
BDBM50323581 Nc1nccc(\C=C\c2ccccn2)n1
BDBM50323582 Nc1nccc(\C=C\c2cccnc2)n1
BDBM50323583 Nc1nccc(\C=C\c2ccncc2)n1
BDBM50323584 CCOC(=O)C(=O)Nc1nccc(\C=C\c2ccccc2)n1
BDBM50323546 Nc1nccc(\C=C\c2ccccc2)n1
BDBM50323547 CNc1nccc(\C=C\c2ccccc2)n1
BDBM50323548 CN(C)c1nccc(\C=C\c2ccccc2)n1
BDBM50323549 CS(=O)(=O)Nc1nccc(\C=C\c2ccccc2)n1
BDBM50323550 Cc1nccc(\C=C\c2ccccc2)n1
BDBM50323551 C(=C/c1ccnc(n1)-c1ccccc1)\c1ccccc1
BDBM50323552 S=c1nccc(C=Cc2ccccc2)[nH]1 |w:7.7|
BDBM50323553 Cc1cc(\C=C\c2ccccc2)nc(N)n1
BDBM50323554 Cc1cnc(N)nc1\C=C\c1ccccc1
BDBM50323555 Cc1nc(N)nc(\C=C\c2ccccc2)c1C
BDBM50323556 Nc1cc(\C=C\c2ccccc2)nc(N)n1
BDBM50323557 Nc1nc(C=Cc2ccccc2)cc(=O)[nH]1 |w:5.5|
BDBM50323558 COc1cc(\C=C\c2ccccc2)nc(N)n1
BDBM50323559 Nc1nc(\C=C\c2ccccc2)cc(n1)C(F)(F)F
BDBM50323560 Nc1ncc(Cl)c(\C=C\c2ccccc2)n1
BDBM50323561 Nc1ncc(Br)c(\C=C\c2ccccc2)n1
BDBM50323562 Nc1cccc(\C=C\c2ccccc2)n1
BDBM50323563 Nc1cncc(\C=C\c2ccccc2)n1
BDBM50325104 O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccccn1
BDBM50325105 Clc1ccccc1S(=O)(=O)Cc1ccc(NC(=O)c2ccccn2)cc1
BDBM50325106 Clc1ccccc1CS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
BDBM50325107 Clc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50325108 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50325109 COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1OC
BDBM50325110 CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1
BDBM50325111 CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1
BDBM50325112 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1
BDBM50325113 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1
BDBM50325114 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1
BDBM50325115 Fc1cccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1Cl
BDBM50325116 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
BDBM50325117 COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
BDBM50325118 O=C(Nc1ccc(cc1)S(=O)(=O)NCC1CC1)c1ccccn1
BDBM50325119 O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCC1)c1ccccn1
BDBM50325120 O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)c1ccccn1
BDBM50325121 Fc1ccc(F)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c1
BDBM50325122 Fc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
BDBM50325123 Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
BDBM50325124 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccn1
BDBM50325125 Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1
BDBM50325126 Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1
BDBM50337525 O=C1CCOc2cc(COc3ccccc3)ccc12
BDBM50339075 O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
BDBM50331744 N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r|
BDBM50331745 N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
BDBM50331746 N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r|
BDBM50331747 N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
BDBM50331748 N[C@@H](Cc1cn(CC(O)=O)nn1)C(O)=O |r|
BDBM50336614 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1
BDBM50336615 Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(Cl)c1
BDBM50336616 CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336617 Fc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336623 Fc1ccc(C(=O)n2ccc3cc(NC(=O)c4ccccn4)ccc23)c(Cl)c1
BDBM50336624 COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc12
BDBM50336625 COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl
BDBM50336626 COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl
BDBM50336628 COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl
BDBM50336629 COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336630 COc1cc(NC(=O)c2cnccn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336631 COc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336632 COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl
BDBM50336633 FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
BDBM50336634 Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50336635 Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50336636 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)C1CCCCC1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50353294 COc1ccnc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353295 Cc1ccnc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353296 C1CCN(C1)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353297 CCNc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353298 CN(C)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353299 COCCOc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353300 OCc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353301 COC(=O)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353302 N#Cc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353303 CCOc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353304 COc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353305 Clc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353306 Fc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353307 Fc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nc1
BDBM50353308 Cc1cc(C)nc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)c1
BDBM50353309 Cc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353310 Cc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nc1
BDBM50353311 Cc1cccnc1Nc1nc-2c(CCCc3[nH]ncc-23)s1
BDBM50353313 Cc1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)nn1
BDBM50353321 Cc1cc(C)nc(Nc2nc-3c(CCc4[nH]ncc-34)s2)c1
BDBM50353331 CC1CCCN(C1)c1ncnc2n(ncc12)-c1cc(C)cc(C)c1
BDBM50346073 O=C(C1CCC1)N1CCCC2(CCCCC2)C1
BDBM50353312 C1CCC(CC1)Nc1nc-2c(CCCc3[nH]ncc-23)s1
BDBM50353314 C1Cc2[nH]ncc2-c2nc(Nc3nccs3)sc2C1
BDBM50353315 Cn1ccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
BDBM50353316 Cc1cc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)[nH]n1
BDBM50353317 C1Cc2[nH]ncc2-c2nc(Nc3ccn[nH]3)sc2C1
BDBM50353318 C1Cc2[nH]ncc2-c2nc(Nc3cnccn3)sc2C1
BDBM50353319 C1Cc2[nH]ncc2-c2nc(Nc3ccncn3)sc2C1
BDBM50353320 C1Cc2[nH]ncc2-c2nc(Nc3cccnc3)sc2C1
BDBM50353322 Cc1cccc(Nc2nc-3c(CCc4[nH]ncc-34)s2)n1
BDBM50353323 Cc1ccc(Nc2nc-3c(CCc4[nH]ncc-34)s2)nc1
BDBM50353324 Cc1ccnc(Nc2nc-3c(CCc4[nH]ncc-34)s2)c1
BDBM50353325 C1Cc2sc(Nc3ncccn3)nc2-c2cn[nH]c12
BDBM50353326 C1Cc2sc(Nc3ccccc3)nc2-c2cn[nH]c12
BDBM50353327 C1Cc2sc(Nc3ccncc3)nc2-c2cn[nH]c12
BDBM50353290 C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
BDBM50353328 C1Cc2sc(Nc3cccnc3)nc2-c2cn[nH]c12
BDBM50353329 Cc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C
BDBM50353330 Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1
BDBM50353291 C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
BDBM50353292 C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
BDBM50353293 N(c1nc(cs1)-c1cn[nH]c1)c1ccccn1
BDBM50353332 Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
BDBM50358783 Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
BDBM50358784 Brc1ccccc1OCC(=O)c1ccccn1
BDBM50358785 Clc1ccc(cn1)C(=O)COc1ccccc1Br
BDBM50358787 Clc1ccc(cn1)C(=O)COc1cccc(Br)c1
BDBM50358779 Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccc1
BDBM50358780 Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccn1
BDBM50358781 Clc1ccc(cn1)C(=O)COc1ccccc1-c1cncnc1
BDBM50358782 Cn1cc(cn1)-c1ccccc1OCC(=O)c1ccc(Cl)nc1
BDBM50358173 Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wD:3.2,6.9,c:7,THB:1:2:4.5:7.8,10:9:4.5:7.8,(26.53,-38.31,;26.23,-36.8,;27.26,-35.66,;28.79,-35.68,;29.57,-34.36,;28.81,-33.02,;27.28,-33.01,;27.27,-34.55,;28.76,-34.14,;26.51,-34.33,;24.99,-34.63,;23.86,-33.59,;24.83,-36.16,;23.51,-36.96,;22.16,-36.22,;20.85,-37.01,;20.87,-38.55,;19.55,-39.35,;18.2,-38.6,;18.18,-37.06,;16.88,-39.39,;16.91,-40.92,;15.59,-41.72,;14.24,-40.97,;14.21,-39.43,;15.53,-38.64,;22.22,-39.3,;23.54,-38.51,;24.89,-39.26,)|
BDBM50358174 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
BDBM50358175 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccncn1
BDBM50358176 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1nccs1
BDBM50358177 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1cscn1
BDBM50358178 Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(.26,-21.79,;1.4,-22.83,;2.91,-22.53,;3.69,-21.21,;5.21,-21.22,;5.97,-22.56,;5.19,-23.88,;3.66,-23.86,;2.63,-25,;2.94,-26.51,;1.23,-24.36,;-.09,-25.16,;-1.43,-24.42,;-2.75,-25.21,;-2.73,-26.75,;-4.05,-27.54,;-5.4,-26.79,;-5.42,-25.25,;-6.72,-27.59,;-6.69,-29.12,;-8,-29.92,;-9.36,-29.17,;-9.38,-27.63,;-8.06,-26.84,;-1.38,-27.5,;-.06,-26.71,;1.29,-27.46,)|
BDBM50358179 Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
BDBM50358180 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccco1
BDBM50358181 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccc1
BDBM50358182 O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)C1CCCCC1
BDBM50358183 Fc1cccc(n1)C(=O)Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O
BDBM50358184 Fc1cc(ccc1NC(=O)c1ccccn1)N1S(=O)(=O)c2ccccc2S1(=O)=O
BDBM50358185 O=S1(=O)N(c2ccc(NCc3ccccn3)cc2)S(=O)(=O)c2ccccc12
BDBM50358186 O=S1(=O)N(c2ccc(NC3(CC3)c3ccccn3)cc2)S(=O)(=O)c2ccccc12
BDBM50358187 Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:6.6,3.7,(26.11,-24.74,;25.8,-23.23,;26.83,-22.09,;28.36,-22.11,;29.14,-20.79,;28.38,-19.45,;26.86,-19.44,;26.84,-20.97,;26.08,-20.75,;24.57,-21.05,;23.43,-20.01,;24.4,-22.59,;23.08,-23.39,;21.73,-22.64,;20.42,-23.44,;20.44,-24.98,;19.12,-25.77,;17.77,-25.02,;17.75,-23.48,;16.45,-25.81,;16.48,-27.35,;15.16,-28.15,;13.81,-27.4,;13.79,-25.85,;15.11,-25.06,;21.79,-25.73,;23.11,-24.94,;24.46,-25.68,)|
BDBM50358786 Brc1ccccc1OCC(=O)c1ccc(NCCc2cccnc2)nc1
BDBM50358788 FC(F)(F)c1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
BDBM50381779 Cc1nn(cc1-c1ccnc2ccccc12)-c1ccccc1
BDBM50381780 Cc1c(cnn1-c1ccccc1)-c1ccnc2ccccc12
BDBM50381781 Cc1nn(c(C)c1-c1ccnc2ccccc12)-c1ccccc1 |(30.09,-33.8,;28.64,-33.3,;28.19,-31.83,;26.65,-31.8,;26.15,-33.26,;24.67,-33.71,;27.38,-34.18,;27.35,-35.72,;26,-36.47,;25.97,-38.01,;27.29,-38.81,;28.64,-38.06,;29.96,-38.85,;31.31,-38.1,;31.34,-36.57,;30.02,-35.77,;28.67,-36.52,;25.77,-30.54,;26.42,-29.15,;25.54,-27.89,;24,-28.02,;23.35,-29.43,;24.24,-30.68,)|
BDBM50381782 Fc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381783 FC(F)(F)c1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381784 Clc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381785 Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381786 CCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381787 C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)c1ccccc1
BDBM50381788 COCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381789 OCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381790 C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCCC1
BDBM50381791 C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCCCC1
BDBM50381792 C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)CN1CCOCC1
BDBM50381793 CN(C)CCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381794 C(CN1CCCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381795 C(CN1CCCCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381796 C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381797 CC(=O)N1CCN(CCOc2ccc3c(ccnc3c2)-c2cnn(c2)-c2ccccc2)CC1
BDBM50381798 CN(C)C(=O)COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381799 O=C(COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCOCC1
BDBM50381800 CN(C)C(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381801 CCN(CC)C(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381802 O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCCCC1
BDBM50381803 O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCCC1
BDBM50381804 O=C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)N1CCOCC1
BDBM50381805 CCNC(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381806 c1nn(cc1-c1ncnc2ccccc12)-c1ccccc1
BDBM50381768 c1nn(cc1-c1ccnc2ccccc12)-c1ccccc1
BDBM50381769 COCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381771 COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
BDBM50381770 c1cc2c(ccnc2[nH]1)-c1cnn(c1)-c1ccccc1
BDBM50381807 c1nn(cc1-c1c[nH]c2ccccc12)-c1ccccc1
BDBM50381808 c1nn(cc1-c1n[nH]c2ccccc12)-c1ccccc1
BDBM50381772 c1nn(cc1-c1ccncc1)-c1ccccc1
BDBM50381773 c1n[nH]cc1-c1ccnc2ccccc12
BDBM50381774 Fc1ccccc1-n1cc(cn1)-c1ccnc2ccccc12
BDBM50381775 Fc1cccc(c1)-n1cc(cn1)-c1ccnc2ccccc12
BDBM50381776 Fc1ccc(cc1)-n1cc(cn1)-c1ccnc2ccccc12
BDBM50381777 c1nn(cc1-c1ccnc2ccccc12)-c1ccccn1
BDBM50381809 C1Cc2nccc(-c3cnn(c3)-c3ccccc3)c2C1
BDBM50381810 Cc1nccc(-c2cnn(c2)-c2ccccc2)c1C
BDBM50381811 Cc1cnccc1-c1cnn(c1)-c1ccccc1
BDBM50381778 c1csc(c1)-n1cc(cn1)-c1ccnc2ccccc12
BDBM50378892 Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50378893 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cncs1
BDBM50378894 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1nccs1
BDBM50378895 Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cccs1
BDBM50378896 Cn1c(cc2ccccc12)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50388941 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
BDBM50392432 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
BDBM50407818 N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407819 N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407820 N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407821 N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407822 N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407823 N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407824 N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407825 N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407826 N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407827 N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407828 N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407829 N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407830 N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407831 N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50400856 N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
BDBM50440205 O=C1CCCc2nc(sc12)C#Cc1ccccc1
BDBM50446782 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|
BDBM50440185 CN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50031309 Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Br
BDBM192830 Clc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1
BDBM192831 Fc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1
BDBM192832 Fc1ccccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1
BDBM192833 Clc1ccc(CS(=O)(=O)c2cnc(NC(=O)c3ccccn3)s2)c(Cl)c1
BDBM192834 Fc1cc(Cl)ccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1
BDBM192835 Fc1cccc(F)c1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1
BDBM192836 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl
BDBM192837 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F
BDBM192839 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F
BDBM192838 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
BDBM192840 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1F
BDBM192841 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192842 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)C(C)c1ccccc1Cl
BDBM192843 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)C(C)c1ccccc1F
BDBM192844 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192845 Clc1ccc(CSc2cnc(NC(=O)c3ccccn3)s2)c(Cl)c1
BDBM192846 Fc1cc(Cl)ccc1CSc1cnc(NC(=O)c2ccccn2)s1
BDBM192847 Clc1ccccc1CSc1nnc(NC(=O)c2ccccn2)s1
BDBM192848 OCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192849 FC(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192850 FCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192851 CC(C)c1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1
BDBM192852 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C(F)(F)F
BDBM192853 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
BDBM192854 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(C)cc(C)cc1C
BDBM192886 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1F
BDBM192855 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C)cc1
BDBM192856 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1F
BDBM192857 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F
BDBM192858 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1Cl
BDBM192859 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(Cl)cccc1Cl
BDBM192860 CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1F
BDBM192861 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)c1ccc(C)cc1
BDBM192862 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)c1cccc(C)c1
BDBM192863 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1
BDBM192864 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)c(Cl)c1
BDBM192865 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(c1)C(F)(F)F
BDBM192866 COc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C)cc1
BDBM192867 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(Cl)cccc1Cl
BDBM192868 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C)cc1
BDBM192869 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1C
BDBM192870 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cc(F)ccc1F
BDBM192871 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cc(F)c(F)cc1F
BDBM192872 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1F
BDBM192873 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1c(F)cccc1Cl
BDBM192874 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1
BDBM192875 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1
BDBM192876 Fc1cccc(F)c1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1
BDBM192877 Fc1cc(Cl)ccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C1CC1
BDBM192878 Fc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C2CC2)c(F)c1
BDBM192879 Clc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C2CC2)c(Cl)c1
BDBM192880 Fc1cccc(F)c1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F
BDBM192881 Fc1cc(Cl)ccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F
BDBM192882 Fc1ccc(CS(=O)(=O)c2sc(NC(=O)c3ccccn3)nc2C(F)(F)F)c(F)c1
BDBM192883 FC(F)(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
BDBM192884 CC(c1ccccc1F)S(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C
BDBM192885 CC(c1ccccc1Cl)S(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C
BDBM192887 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F
BDBM192888 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
BDBM192889 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F
BDBM192890 CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl
BDBM192892 Clc1ccccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1
BDBM192893 O=C(Nc1nnc(s1)S(=O)(=O)Cc1ccccc1)c1ccccn1
BDBM192894 Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)c(F)c1
BDBM192828 FC(F)(F)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl
BDBM192829 Fc1ccccc1CS(=O)(=O)c1sc(NC(=O)c2ccccn2)nc1C(F)(F)F
BDBM186270 CS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186271 Fc1cc(F)c(F)c(Nc2n[nH]c3cccnc23)c1
BDBM186272 CS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1F
BDBM186273 Cn1nc2cccnc2c1Nc1ccc(F)c(Cl)c1
BDBM186274 CCc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186275 CC(C)(C)c1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186276 Fc1cc(Nc2n[nH]c3cccnc23)cc(c1)C(F)(F)F
BDBM190406 Cc1ccc(cc1C)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190407 Cc1cccc(c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190408 Cc1cccc(c1)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1
BDBM190429 COc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190430 Fc1ccc(c(F)c1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190432 Fc1cc(Cl)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190433 Fc1ccc(c(F)c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190431 CCc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190434 Fc1cc(F)c(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190435 Cc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1
BDBM190436 O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCOc2c1)c1ccccn1
BDBM190441 O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2occc2c1)c1ccccn1
BDBM190442 O=C(Nc1cnn(c1)S(=O)(=O)c1cnc2ccccc2c1)c1ccccn1
BDBM190443 Cc1cc(cnc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190444 O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCCOc2c1)c1ccccn1
BDBM190445 O=C(Nc1cnn(c1)S(=O)(=O)c1ccoc1)c1ccccn1
BDBM190419 Cc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190420 Cc1cc(ccc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190421 FC(F)(F)c1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190422 Fc1cc(Cl)c(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190423 Fc1cc(cc(F)c1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190424 Clc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190425 Cc1cc(ccc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM186215 Clc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186216 Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186217 FC(F)(F)c1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186218 Fc1cncc(Nc2n[nH]c3cccnc23)c1
BDBM186219 Fc1ccc(Nc2n[nH]c3cccnc23)cc1F
BDBM186220 COc1cc(Nc2n[nH]c3cccnc23)ccc1Cl
BDBM186221 Cc1cc(Nc2n[nH]c3cccnc23)ccc1Cl
BDBM186222 COc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186223 FC(F)Oc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM190437 O=C(Nc1cnn(c1)S(=O)(=O)c1ccc(cc1)N1CCOCC1)c1ccccn1
BDBM190438 O=C(Nc1cnn(c1)S(=O)(=O)c1ccsc1)c1ccccn1
BDBM190439 O=C(Nc1cnn(c1)S(=O)(=O)c1ccc2OCCCOc2c1)c1ccccn1
BDBM190440 CC1(C)CCc2ccc(cc2O1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM186224 COc1ccc(Nc2n[nH]c3cccnc23)cc1OC(F)F
BDBM186225 COc1cc(Nc2n[nH]c3cccnc23)ccc1F
BDBM186226 Fc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186227 Clc1ccnc(Nc2n[nH]c3cccnc23)c1
BDBM186228 Clc1cncc(Nc2n[nH]c3cccnc23)c1
BDBM186229 Clc1ccc(Nc2n[nH]c3cccnc23)cn1
BDBM186230 Fc1ccc(Cl)cc1Nc1n[nH]c2cccnc12
BDBM186231 Fc1c(Cl)cccc1Nc1n[nH]c2cccnc12
BDBM186232 Cc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM186233 COc1cccc(Nc2n[nH]c3cccnc23)c1
BDBM190446 O=C(Nc1cnn(c1)S(=O)(=O)c1ccco1)c1ccccn1
BDBM190447 Clc1cccc(n1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190448 COc1ccc(cn1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190449 Clc1ncccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190450 Cc1ccc(o1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190451 Clc1ccc(cn1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190452 Cc1nc(C)c(s1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM186234 N(c1n[nH]c2cccnc12)c1ccccc1
BDBM186235 Clc1cc(Nc2n[nH]c3cccnc23)ccc1C#N
BDBM186236 FC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186237 Clc1cc(Nc2n[nH]c3cccnc23)ccn1
BDBM186238 Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ncccn1
BDBM186239 Clc1cccc(Nc2c[nH]c3cccnc23)c1
BDBM186240 Fc1ccc(Nc2n[nH]c3cncnc23)cc1Cl
BDBM186241 Clc1cc(ccc1Oc1ncccn1)N(c1n[nH]c2cccnc12)c1ncccn1
BDBM186277 CC1Oc2ccc(Nc3n[nH]c4cccnc34)cc2N(C)C1=O
BDBM186278 Clc1cc(Nc2n[nH]c3cccnc23)ccc1C(=O)c1ccccc1
BDBM186279 Fc1ccc(Nc2n[nH]c3cccnc23)cc1
BDBM186280 Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cnccn1
BDBM190409 Fc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190410 Fc1ccc(cc1F)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1
BDBM186242 Fc1ccc(Nc2n[nH]c3nccnc23)cc1Cl
BDBM186243 CC(C)C1CCC(CC1)Nc1n[nH]c2cccnc12 |(-8.44,-4.69,;-7.97,-3.22,;-9,-2.08,;-6.46,-2.9,;-5.43,-4.05,;-3.92,-3.73,;-3.45,-2.26,;-4.48,-1.12,;-5.98,-1.44,;-1.94,-1.94,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;)|
BDBM186244 Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCOCC1
BDBM186245 Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCCC1
BDBM186246 Clc1cncc(Nc2n[nH]c3cccnc23)n1
BDBM186247 Cc1cncc(Nc2n[nH]c3cccnc23)c1
BDBM186248 Fc1ncc(Cl)cc1Nc1n[nH]c2cccnc12
BDBM186281 FC(F)(F)c1cc(Nc2n[nH]c3cccnc23)cc(c1)C(F)(F)F
BDBM186282 Clc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186283 Clc1cc(Cl)cc(Nc2n[nH]c3cccnc23)c1
BDBM186284 Fc1cc(Cl)cc(Nc2n[nH]c3cccnc23)c1
BDBM186285 Fc1ccc(Nc2n[nH]c3cccnc23)cc1C(F)(F)F
BDBM186286 CS(=O)(=O)c1cc(Nc2n[nH]c3cccnc23)ccc1F
BDBM186287 Oc1ccc(Nc2n[nH]c3cccnc23)cc1F
BDBM190428 Fc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190426 COc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190427 Cc1ccc(c(C)c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM186249 CN1C(C(=O)N(C1=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl)C(C)(C)C
BDBM186250 Oc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186251 Cc1cc(C)cc(Nc2n[nH]c3cccnc23)c1
BDBM186252 FC(F)(F)c1cccc(c1)C(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186253 N(c1n[nH]c2cccnc12)c1cncnc1
BDBM186254 N(c1n[nH]c2cccnc12)c1cnc2ccccc2c1
BDBM186255 Fc1ccc(Nc2n[nH]c3scnc23)cc1Cl
BDBM186288 Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ncccn1
BDBM186289 Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cc(ccn1)C(F)(F)F
BDBM186290 Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccc(Cl)cn1
BDBM186291 Clc1cccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)n1
BDBM186292 Cc1ccc(Cl)cc1Nc1n[nH]c2cccnc12
BDBM186293 Fc1cc(F)c(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186294 Fc1cc(Nc2n[nH]c3cccnc23)cc(F)c1F
BDBM186256 Clc1cc(Nc2n[nH]c3cccnc23)cc(Cl)c1Cl
BDBM186257 Fc1c(Cl)cc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186258 Cc1ccc(NC(=O)Nc2n[nH]c3cccnc23)cc1C
BDBM186259 N(c1nccs1)c1n[nH]c2cccnc12
BDBM186260 Cc1cc(NC(=O)Nc2n[nH]c3cccnc23)ccc1F
BDBM186261 Clc1cc(Nc2n[nH]c3cccnc23)cnc1Cl
BDBM186262 CNc1ncc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186295 Clc1ccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)cc1
BDBM186296 Cc1cc(Nc2n[nH]c3cccnc23)ccc1F
BDBM186297 Cc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186298 Cc1ccc(F)c(Nc2n[nH]c3cccnc23)c1
BDBM186299 Fc1cc(F)cc(Nc2n[nH]c3cccnc23)c1
BDBM186300 CN(c1n[nH]c2cccnc12)c1cccc(Cl)c1
BDBM186301 Clc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1
BDBM186263 C(Nc1n[nH]c2cccnc12)C1CCCCC1
BDBM186264 Clc1cccc(CNc2n[nH]c3cccnc23)c1
BDBM186265 Fc1ccc(CNc2n[nH]c3cccnc23)cc1Cl
BDBM186266 Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccccn1
BDBM186267 Cn1ccc2ccc(Nc3n[nH]c4cccnc34)cc12
BDBM186268 CN1C(=O)COc2cc(Nc3n[nH]c4cccnc34)ccc12
BDBM186269 CN1C(=O)COc2ccc(Nc3n[nH]c4cccnc34)cc12
BDBM186302 Fc1ccccc1C(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
BDBM186303 Fc1ccc2[nH]nc(Nc3ccc(F)c(Cl)c3)c2n1
BDBM186304 Clc1cc(Nc2n[nH]c3cccnc23)cnc1Oc1ccccn1
BDBM190413 Cc1ccc(cc1C)S(=O)(=O)n1cc(NC(=O)c2nccs2)cn1
BDBM190411 Cc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190414 Cc1cc(F)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190415 Fc1cc(ccc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190416 Fc1ccc(Cl)cc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190417 Fc1c(Cl)cccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM190418 Clc1ccc(Cl)c(c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
BDBM50064444 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064463 Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50031312 Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50031313 Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
BDBM50143149 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143150 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143152 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143153 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143154 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143155 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143156 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143157 Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143159 Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(NC(=O)c2nccn2C)cc1Cl
BDBM50143160 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143162 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50134443 Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134466 Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50127965 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50128117 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143165 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143166 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143148 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143161 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143163 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143164 Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50128120 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50127985 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50128021 Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
BDBM50128118 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50128119 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50116461 COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl
BDBM50116472 FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1
BDBM50116482 COc1cc(NC(=O)c2cccc(F)n2)ccc1F
BDBM50116489 O=C(Nc1cccc(c1)C#N)c1ccccn1
BDBM50116508 Fc1ccc(NC(=O)c2ccccn2)cc1C#N
BDBM50116509 Clc1ccc(NC(=O)c2ccccn2)cc1C#N
BDBM50116510 Brc1ccc(NC(=O)c2ccccn2)cc1C#N
BDBM50116512 FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50116513 [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
BDBM50116514 [H][C@@]12C[C@@]1(Oc1ccccc1\C2=N\O)C(=O)Nc1ccccc1 |r|
BDBM50116515 Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1
BDBM50116516 [H][C@]12C[C@]([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |r,c:5|
BDBM50116517 COc1cc(NC(=O)c2ccccn2)ccc1Br
BDBM50116519 COc1cccc(NC(=O)c2ccccn2)c1
BDBM50116520 CSc1cccc(NC(=O)c2ccccn2)c1
BDBM50127993 Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
BDBM50143076 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
BDBM50143081 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143083 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143085 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143086 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
BDBM50143144 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
BDBM50143145 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
BDBM50143146 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
BDBM50143147 Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
BDBM50143151 Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
BDBM50143158 Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2nccn2C)cc1Cl
BDBM50116511 Ic1ccc(NC(=O)c2ccccn2)cc1C#N
BDBM50116518 COc1cc(NC(=O)c2ccccn2)ccc1I
BDBM50121643 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
BDBM50145198 Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
BDBM50159578 Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1