SMILES for Acetylcholine-binding protein

205 SMILES Strings for Acetylcholine-binding protein

Compound Name

SMILES String

Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)|

BDBM50417096

Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)|

BDBM50417099

Brc1ccc(NC(=O)OCCCc2cccnc2)cc1

BDBM50417105

Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)|

BDBM50417102

Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)|

BDBM92877

Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)C1Cc1cccnc1 |r,wU:10.10,(12.27,6.78,;11.05,5.89,;9.72,6.66,;8.39,5.89,;8.39,4.35,;9.72,3.58,;11.05,4.35,;7.05,3.58,;7.05,2.04,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,)|

BDBM50393248

Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)|

BDBM50088454

Brc1ccc(cn1)N1CCCNCC1

BDBM50120210

C(CN1CCCN(CC1)c1cccnc1)Cc1ccccc1

BDBM50419197

C(CSc1cc2ccccc2[nH]1)CN1CCN(Cc2ccccc2)CC1

BDBM50353946

C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1

BDBM50419746

C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r,THB:0:8:15.14.13:11.10|

BDBM50353944

C(Cc1nc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1

BDBM50267883

C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1

BDBM50419188

C(N1CCCC1)c1ccccc1Sc1ccccc1

BDBM74511

C(N1CCCCC1)c1csc2ccccc12

BDBM50120209

C(N1CCCN(CC1)c1cccnc1)c1ccccc1

BDBM50419745

C(N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:9:7:4.3:1|

BDBM50520706

C(Oc1cccnc1)C1(Cc2ccc(cc2)-c2ccccc2)CCCNC1

BDBM50413511

C1CC(CCN1)OC1c2ccccc2CCc2ccccc12

BDBM50413509

C1CC2CC(CC1N2)OC1c2ccccc2CCc2ccccc12

BDBM50419177

C1CC2N(C1)CCc1c2[nH]c2ccccc12

BDBM50088438

C1CNCCN(C1)c1cccnc1

BDBM50088437

C1CNCCN(C1)c1cncc(c1)-c1ccccc1

BDBM50419744

C1C[C@@H]2C[C@@H](C[C@H]1N2)OC1c2ccccc2CCc2ccccc12 |r|

BDBM50419179

C1NC2c3ccccc3CC1c1ccccc21 |TLB:15:16:9.8.3:1.0,4:3:16.11:1.0,THB:12:11:9.8.3:1.0|

BDBM91610

CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:7:10:13.14:17|

BDBM10759

CC(=O)OCC[N+](C)(C)C

BDBM91622

CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|

BDBM50419183

CC(C)(C)C(N)\C=C\c1ccc(Cl)cc1Cl

BDBM50253824

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253823

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253822

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253825

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50253820

CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

BDBM50516319

CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(N)=O |r|

BDBM50253821

BDBM50419194

CC(Cc1ccccc1)NC1CN2CCC1CC2 |THB:9:10:13.14:17.16,(49.97,-42.94,;49.74,-44.46,;50.94,-45.42,;52.38,-44.86,;53.58,-45.82,;55.01,-45.26,;55.24,-43.73,;54.03,-42.77,;52.6,-43.34,;48.31,-45.02,;47.1,-44.06,;47.4,-42.55,;45.92,-43.23,;44.25,-42.53,;44.04,-44.03,;45.64,-44.72,;45.71,-46.5,;46.19,-45.3,)|

BDBM50419198

CC1(C)CC(=CC(C)(C)N1)c1cc(Br)c(s1)C1=CC(C)(C)NC(C)(C)C1 |c:4,t:18|

BDBM50419192

CC1CC2(CCCCC2)NCc2ccccc12

BDBM50353947

CC1CCN(CCc2cc3ccccc3[nH]2)CC1

BDBM50419178

CC1CC[N+]2(C)CCc3c([nH]c4ccccc34)C2C1

BDBM50353945

CC1NCCOC1c1ccc(Cl)cc1

BDBM50590141

CCCC[C@@H]1N[C@@H](CO)C(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CN)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)N[C@@H](CCCC)C(=O)NC2=O)[C@@H](C)O)C(O)=O)C(=O)NC1=O)C(C)C |r|

BDBM50590140

CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O)[C@@H](C)O |r|

BDBM50413515

CCCN1CCC(CC1)OC1c2ccccc2CCc2ccccc12

BDBM91599

CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12

BDBM50419195

CCN(CC)Cc1csc2ccc(Cl)cc12

BDBM50413513

CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM50088453

CCOc1cc(cnc1Br)N1CCCNCC1

BDBM92377

CCOc1cncc(c1)N1CCCNCC1

BDBM50119572

CN(C)CCc1cccnc1

BDBM50486223

CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N

BDBM50413516

CN1C2CCC1CC(C2)OC(=O)COC1c2ccccc2CCc2ccccc12

BDBM50413519

CN1C2CCC1CC(C2)OC1c2ccccc2CCc2c(C)cccc12

BDBM50413514

CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccc(C)cc12

BDBM50413520

CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM50419175

CN1CC2Cc3ccccc3C1c1ccccc21 |TLB:0:1:12.17:4.5.10,13:12:4.5.10:1.2,9:10:12.17:1.2,THB:16:17:4.5.10:1.2|

BDBM91603

CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 |t:3,TLB:11:12:19:15.16|

BDBM50413510

CN1CCC(CC1)OC1c2ccccc2CCc2ccccc12

BDBM50419199

CN1CCC(CC1)c1noc2ccccc12

BDBM50004108

CN1CCCC1c1cccnc1

BDBM82070

CN1CCC[C@H]1c1cccnc1 |r|

BDBM50419187

CN1CCN(Cc2ccccc2Sc2ccccc2)CC1

BDBM50422013

CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1

BDBM50080818

CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|

BDBM50419731

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r,THB:0:1:8.7.6:4.3|

BDBM50419751

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |TLB:0:1:7.8.6:4.3,THB:9:7:1:4.3|

BDBM50419747

CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,THB:0:1:8.7.6:4.3|

BDBM91636

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1 |THB:9:7:3.4:1|

BDBM91638

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:9:7:3.4:1|

BDBM91627

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|

BDBM91625

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1 |THB:9:7:3.4:1|

BDBM91631

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:9:7:3.4:1|

BDBM91624

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|

BDBM91637

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|

BDBM91629

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:9:7:1:4.3|

BDBM91633

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:9:7:1:3.4|

BDBM91630

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:9:7:1:4.3|

BDBM91632

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:9:7:1:4.3|

BDBM91634

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:9:7:3.4:1|

BDBM91626

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:9:7:3.4:1|

BDBM91635

CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:9:7:3.4:1|

BDBM50382467

CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50264117

COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1 |c:15|

BDBM91628

COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|

BDBM91613

COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 |TLB:13:16:19.20:23|

BDBM50061564

COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|

BDBM50587088

CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50419191

CSc1[nH]c2ccccc2c1CN1CCCCC1

BDBM50587085

C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N2)NC1=O)C(N)=O |r|

BDBM50425042

C[C@H](CCOC(=O)N(C)C)N(C)C |r|

BDBM50425040

C[C@H](CCOc1nc(C)cn1C)N(C)C |r|

BDBM50425041

C[C@H](CCOc1nccn1C)N(C)C |r|

BDBM50267844

C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM50419739

C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|

BDBM91623

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:10:8:4.5:1|

BDBM91612

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:10:8:4.5:1|

BDBM91616

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:10:8:4.5:1|

BDBM91614

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:10:8:1:5.4|

BDBM91618

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:10:8:1:5.4|

BDBM91615

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:10:8:1:5.4|

BDBM91617

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|

BDBM91619

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|

BDBM91611

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|

BDBM91620

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:10:8:4.5:1|

BDBM50419735

C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|

BDBM50419185

C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1

BDBM50419742

C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|

BDBM50419740

C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|

BDBM50419750

C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|

BDBM91621

Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|

BDBM50520717

Cc1ccc(CC2(COc3cccnc3)CCCNC2)cc1

BDBM50419180

Cc1ccc(cc1)C(OCC1CCC[N+](C)(C)C1)c1ccccc1

BDBM50520719

Cc1cccc(CC2(COc3cccnc3)CCCNC2)c1

BDBM50419176

Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1

BDBM50520721

Cc1ccccc1CC1(COc2cccnc2)CCCNC1

BDBM50419200

ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1

BDBM50520718

Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1

BDBM50520723

Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1Cl

BDBM50520724

Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl

BDBM50472282

Clc1ccc(CN2CCSC2=N)cn1

BDBM50251868

Clc1ccc(CN2CCS\C2=N/C#N)cn1

BDBM50520722

Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r|

BDBM50520733

Clc1ccc(C[C@]2(COc3cccnc3)CCCNC2)cc1Cl |r|

BDBM50161764

Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|

BDBM50049757

Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|

BDBM50143314

Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|

BDBM50520727

Clc1cccc(CC2(COc3ccc(Br)nc3)CCCNC2)c1

BDBM50520715

Clc1cccc(CC2(COc3ccc(Cl)nc3)CCCNC2)c1

BDBM50520704

Clc1cccc(CC2(COc3ccc4c(c3)[nH]c3ccccc43)CCCNC2)c1

BDBM50520726

Clc1cccc(CC2(COc3ccccn3)CCCNC2)c1

BDBM50520720

Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1

BDBM50520716

Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1Cl

BDBM50520711

Clc1cccc(CC2(COc3ccncc3)CCCNC2)c1

BDBM50520730

Clc1cccc(CC2(COc3cncc(Br)c3)CCCNC2)c1

BDBM50520709

Clc1cccc(CC2(COc3cncc(c3)-c3ccccc3)CCCNC2)c1

BDBM50520710

Clc1cccc(CC2(COc3cncnc3)CCCNC2)c1

BDBM50520728

Clc1ccccc1CC1(COc2cccnc2)CCCNC1

BDBM91605

Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O

BDBM91707

Cn1nncc1COc1cc(=O)n(C)c2ccccc12

BDBM50520731

FC(F)(F)c1ccc(CC2(COc3cccnc3)CCCNC2)cc1

BDBM50520732

FC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1

BDBM50520707

FC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1

BDBM50413517

N#CCCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM50078048

NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|

BDBM50419182

NCC(OCc1ccc(Cl)cc1)c1ccccc1

BDBM50419181

NCC(OCc1ccc(Cl)cc1Cl)c1ccccc1

BDBM50419184

NCC(c1ccccc1)c1ccc(cc1)-c1ccccc1

BDBM50417104

NCCc1cccnc1

BDBM50419196

NCc1ccsc1C(O)c1ccccc1

BDBM92875

N[C@@H]1C2CCN(CC2)C1Cc1cccnc1 |r,wU:1.0,(5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,)|

BDBM50417097

N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-1.74,-33.45,;-3.08,-34.2,;-4.55,-33.56,;-5.9,-34.17,;-6.18,-35.56,;-4.81,-34.93,;-5.07,-33.03,;-4.62,-31.92,;-3.28,-35.58,;-2.52,-36.92,;-3.3,-38.25,;-4.84,-38.23,;-5.62,-39.56,;-4.86,-40.9,;-3.31,-40.91,;-2.54,-39.58,)|

BDBM50417098

N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)|

BDBM50320526

Nc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:10|

BDBM92878

O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;9.53,3.31,;10.87,4.08,;12.33,3.61,;13.47,4.64,;13.15,6.15,;11.69,6.62,;10.55,5.59,;9.01,5.75,)|

BDBM92876

O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1ccccc1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;8.39,5.89,;9.72,6.66,;11.05,5.89,;11.05,4.35,;9.72,3.58,)|

BDBM50417091

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)|

BDBM50417093

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(9.02,-7.03,;9.04,-5.49,;7.71,-4.7,;6.37,-5.45,;4.9,-4.81,;3.55,-5.42,;3.27,-6.81,;4.64,-6.18,;4.38,-4.27,;4.83,-3.16,;6.17,-6.83,;6.93,-8.17,;6.15,-9.5,;4.61,-9.48,;3.83,-10.81,;4.59,-12.15,;6.14,-12.16,;6.91,-10.83,;10.38,-4.73,;11.71,-5.52,;11.68,-7.06,;13,-7.85,;14.35,-7.1,;14.37,-5.55,;13.04,-4.77,)|

BDBM50393247

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)|

BDBM50399818

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(23.13,-6.85,;23.15,-5.31,;21.83,-4.52,;20.48,-5.27,;19.01,-4.63,;17.66,-5.24,;17.38,-6.63,;18.75,-6,;18.5,-4.09,;18.94,-2.99,;20.29,-6.65,;21.05,-7.99,;20.26,-9.32,;18.72,-9.3,;17.94,-10.63,;18.7,-11.97,;20.25,-11.98,;21.03,-10.65,;24.49,-4.55,;25.81,-5.34,;27.16,-4.59,;27.18,-3.05,;25.84,-2.26,;24.51,-3.02,)|

BDBM50417100

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)|

BDBM50417095

O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)|

BDBM50417101

O=C(Nc1ccccc1)OCCCc1cccnc1

BDBM50417090

O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)|

BDBM50417094

O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)|

BDBM50419730

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 |r|

BDBM50419732

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |r,THB:11:10:4.3.9:7.6|

BDBM50419752

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 |r|

BDBM50419733

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |r,THB:11:10:4.3.9:7.6|

BDBM50419190

O=C1COc2ccccc2N1CCCCN1CCc2ccccc2C1

BDBM91601

O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1

BDBM86311

O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|

BDBM50419737

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419736

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1cccc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419734

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50419741

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1cccc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419753

OC(CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50419743

OC(CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1)c1cc(O)cc(O)c1 |r,THB:2:3:10.9.8:6.5|

BDBM50419189

OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1

BDBM50520714

OCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1

BDBM50520729

OCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1

BDBM50520708

OCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1

BDBM50520712

OCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1

BDBM50520713

OCCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1

BDBM50520705

OCCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1

BDBM50382466

OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|

BDBM50419186

OCCc1c([nH]c2ccccc12)C1CC2CCN1CC2C=C |THB:20:19:12.13:16.15,4:12:19.18:16.15|

BDBM50413518

ONC(=N)CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM50419749

O[C@@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50417103

O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-8.12,-33.73,;-9.46,-34.48,;-10.93,-33.84,;-12.29,-34.45,;-12.57,-35.84,;-11.19,-35.21,;-11.45,-33.31,;-11,-32.2,;-9.66,-35.86,;-8.9,-37.2,;-9.68,-38.53,;-11.22,-38.51,;-12.01,-39.83,;-11.25,-41.17,;-9.69,-41.18,;-8.92,-39.86,)|

BDBM50419748

O[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|

BDBM50320567

Oc1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1 |c:10|

BDBM50419738

Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1 |r,THB:7:8:15.14.13:11.10|

BDBM50413512

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#8]-[#6]-1-c2ccccc2-[#6]-[#6]-c2ccccc-12

BDBM50597662

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC2=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1 |r|

BDBM50597661

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC2=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1 |r|

BDBM50597656

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|

BDBM50597655

BDBM50597657

[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|

BDBM50597660

[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(N)=O |r|

BDBM50597658

BDBM50597659

[H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|

BDBM50212288

[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|

BDBM50487234

[O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1