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647 SMILES Strings for Muscarinic acetylcholine receptor M1/M5 chimeric protein

Compound NameSMILES String
BDBM10759 CC(=O)OCC[N+](C)(C)C
BDBM10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
BDBM50451110 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
BDBM39341 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM43822 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
BDBM46858 COC(=O)C1=CCCN(C)C1 |t:4|
BDBM65913 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
BDBM73209 C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM82423 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM81452 CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM81462 OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81901 CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM114595 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccc(Cl)nc3)C(=O)C(=O)c2c1
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50004665 O=C1CCCN1CC#CCN1CCCC1
BDBM50003359 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
BDBM50005677 C[N+](C)(C)CC#CCN1CCCC1=O
BDBM50008071 Cc1ccc(C[N+](C)(C)C)o1
BDBM50006580 CSc1nsnc1C1=CCCN(C)C1 |t:8|
BDBM50006584 C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
BDBM50003014 [I-].CC1COCC(C[N+](C)(C)C)O1
BDBM50003015 [I-].C[C@@H]1COC[C@H](C[N+](C)(C)C)O1
BDBM50035277 C#CCOc1noc2CCCNCc12
BDBM50035278 CCOc1noc2CCCNCc12
BDBM50035279 COc1noc2CCCNCc12
BDBM50035280 CC(C)Oc1noc2CCCNCc12
BDBM50003016 [I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1
BDBM50061705 CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
BDBM50062155 CN1CCC2=C(C1)c1nsnc1SC2 |c:4|
BDBM50062157 C1Cc2ccc3nsnc3c2CN1
BDBM50062158 CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|
BDBM50064176 COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
BDBM50073499 CCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:8|
BDBM50073500 CCN1CC[C@H]([C@H](C1)C(=O)OC1CCCCC1)c1ccccc1
BDBM50073501 CCN1CCC(=C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:5|
BDBM50073503 CCN1CCC(=C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:5|
BDBM50073504 CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
BDBM50073449 CCN1CCC(=C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073472 CCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:6|
BDBM50073473 CCN1CC=C(C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:4|
BDBM50073474 CCN1CCC(=C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:5|
BDBM50073475 CCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:11|
BDBM50073476 CCN1CC=C(C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073477 CCN1CCC(=C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073478 CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073479 CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
BDBM50073480 CCN1CC=C(C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073481 CCN1CCC(=C(C1)C(=O)OCC(C)C)c1ccccc1 |c:5|
BDBM50073482 CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:14|
BDBM50073483 CCN1CC[C@H]([C@H](C1)C(=O)OCCc1ccccc1)c1ccccc1
BDBM50073484 CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:12|
BDBM50073485 CCN1CCC(=C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073486 CCN1CC=C(C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073487 CCCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:13|
BDBM50073488 CCN1CC=C(C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:4|
BDBM50073489 CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50073490 CCN1CCC(=C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:5|
BDBM50073491 CCN1CC=C(C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073492 CCN1CCC(=C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073450 CCN1CC=C(C(C1)C(=O)OC)c1ccccc1 |c:4|
BDBM50073451 CCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:7|
BDBM50073452 CCN1CC=C(C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:4|
BDBM50073453 CCN1CC[C@H]([C@@H](C1)C(=O)OC1CCCCC1)c1ccccc1
BDBM50073454 CCN1CCC(=C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073455 CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:19|
BDBM50073456 CCN1CC=C(C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:4|
BDBM50073457 CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:15|
BDBM50073493 CCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:5|
BDBM50073495 CCN1CC=C(C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:4|
BDBM50073458 CCN1CCC(=C(C1)C(=O)OC)c1ccccc1 |c:5|
BDBM50073459 CCN1CC=C(C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073496 CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
BDBM50073497 CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:16|
BDBM50073498 CCN1CC=C(C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073460 CCN1CCC(=C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073461 CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:18|
BDBM50073462 CCCCCc1noc(n1)C1CN(CC)CC=C1c1ccccc1 |c:17|
BDBM50073463 CCN1CCC(=C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|
BDBM50073464 CCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:9|
BDBM50073465 CCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:12|
BDBM50073466 CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:13|
BDBM50073467 CCN1CC=C(C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073468 CCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:10|
BDBM50073469 CCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
BDBM50073470 CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
BDBM50073471 CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
BDBM50071169 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
BDBM50071170 CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071171 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071172 CCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071174 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12
BDBM50071175 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(C)c45)Cc3c12
BDBM50071176 COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
BDBM50071177 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(C)ccc45)Cc3c12
BDBM50071178 COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1
BDBM50071179 COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071180 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccc(OC)cc45)Cc3c12
BDBM50071181 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
BDBM50071182 CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
BDBM50071184 COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OC(C)C)c5c4CN3CCc2c1
BDBM50071185 COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41
BDBM50071186 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OCC)ccc45)Cc3c12
BDBM50076089 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50083342 Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
BDBM50092313 COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50106485 COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1
BDBM50106486 COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1
BDBM50105094 Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50109644 O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
BDBM50109647 NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
BDBM50109650 O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
BDBM50107696 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
BDBM50111346 Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
BDBM50122054 Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
BDBM50128240 CCOC(=O)C1CN2CC(CCC2CN(C)C)C1=O |TLB:18:17:8:12.10.11,THB:3:5:8:12.10.11,13:12:5.17.6:8|
BDBM50128241 CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O |TLB:23:22:8:12.10.11,13:12:5.22.6:8,THB:3:5:8:12.10.11|
BDBM50128242 CCOC(=O)C1CN2CCCC(C2)C1=O |TLB:3:5:12:8.10.9,THB:14:13:12:8.10.9|
BDBM50132341 COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
BDBM50156074 Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50165008 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
BDBM50165019 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50176065 C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50194649 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50194652 O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1
BDBM50194654 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194655 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1
BDBM50194656 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194657 CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50194658 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
BDBM50194659 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1
BDBM50194646 CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50194647 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50194639 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCC2)CC1
BDBM50194640 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194642 CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50194643 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194641 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194644 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194645 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50223174 O=C1CCON1CC#CC[NH+]1CCCCC1
BDBM50223175 O=C1CCON1CC#CC[NH+]1CCc2ccccc2C1
BDBM50223176 C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
BDBM50223164 C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
BDBM50223178 C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
BDBM50223179 C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
BDBM50223180 C[NH+](C)CC#CCOc1cc(on1)-c1ccccc1
BDBM50223181 C(C#CCC1=NOCC1)[NH+]1C2CCC1CCC2 |w:10.18,13.15,t:4|
BDBM50223182 O=C1CCON1CC#CCN1CCCC1
BDBM50223184 C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc12 |t:2|
BDBM50223185 C[N+]1(CC#CCN2OCCC2=O)CCCCC1
BDBM50223186 Cc1cc(OCC#CC[NH+]2CCCC2)no1
BDBM50223165 Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
BDBM50223166 C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
BDBM50223167 C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc2C1
BDBM50223168 C[N+]12CCC(CC1)\C(C2)=N\OCC#CCOc1ccon1 |THB:9:7:2.3:6.5,(-6.38,-12.44,;-6.16,-10.93,;-7.68,-11.58,;-7.87,-10.22,;-6.42,-9.58,;-6.35,-7.96,;-5.91,-9.05,;-5.08,-10.18,;-4.81,-11.56,;-3.98,-9.29,;-2.66,-10.08,;-1.32,-9.33,;0,-10.12,;1.31,-10.9,;2.63,-11.69,;3.98,-10.94,;5.3,-11.74,;6.32,-10.58,;7.73,-11.2,;7.58,-12.73,;6.08,-13.06,)|
BDBM50223169 O=C1CCON1CC#CC[NH+]1C2CCC1CCC2
BDBM50223170 Cc1cc(OCC#CC[N+](C)(C)C)no1
BDBM50223171 C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc2C1 |t:2|
BDBM50223172 C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc12
BDBM50223173 C[NH+](C)CC#CCOc1cc(C)on1
BDBM50222912 COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
BDBM50223163 C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
BDBM50241132 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
BDBM50231856 CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl
BDBM50263837 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263410 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4Cl)CC3)c(=O)[nH]c2c1
BDBM50263411 [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263412 [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263413 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(Cc2ccccc2C#N)CC1
BDBM50263936 Fc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c2c1
BDBM50263937 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c2c1
BDBM50263370 FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263371 FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263372 Clc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263886 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c2c1
BDBM50263887 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263888 CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263889 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1
BDBM50263890 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cccc(F)c2[nH]c1=O
BDBM50263891 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
BDBM50263892 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O
BDBM50263893 Fc1cccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c12
BDBM50258723 FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
BDBM50258609 COc1cccc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)c1
BDBM50258610 COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)c1
BDBM50258436 FC(F)(F)Oc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
BDBM50258437 Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
BDBM50258438 Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
BDBM50258573 COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
BDBM50258753 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
BDBM50258754 FC(F)(F)Oc1ccc2N(Cc3ccccc3Cl)C(=O)C(=O)c2c1
BDBM50258656 COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
BDBM50258657 FC(F)(F)c1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
BDBM50258658 Fc1ccc2N(Cc3ccccc3C(F)(F)F)C(=O)C(=O)c2c1
BDBM50258659 Fc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
BDBM50258692 Fc1cccc2C(=O)C(=O)N(Cc3ccccc3C(F)(F)F)c12
BDBM50258693 Fc1cccc2C(=O)C(=O)N(Cc3ccc(cc3)C(F)(F)F)c12
BDBM50258362 Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cccc(Cl)c12
BDBM50241913 CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
BDBM50258439 Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
BDBM50258528 Fc1cccc2C(=O)C(=O)N(Cc3ccc(Br)cc3)c12
BDBM50259847 CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 |r|
BDBM50248045 C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50288954 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
BDBM50275502 Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
BDBM50275503 Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275504 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
BDBM50275505 Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275379 FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
BDBM50275557 Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275558 Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
BDBM50275559 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
BDBM50275560 FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
BDBM50275588 NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50296331 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
BDBM50296345 C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|
BDBM50297077 FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50305817 FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
BDBM50305818 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
BDBM50305819 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
BDBM50305821 Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
BDBM50305822 Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
BDBM50305823 COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
BDBM50305824 COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc23)cc1
BDBM50305825 FC(F)(F)Oc1ccc2C(=O)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c2c1
BDBM50309861 Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|
BDBM50314590 CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2Cl)cc1Cl
BDBM50314591 CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2OC)cc1Cl
BDBM50314592 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl
BDBM50314593 CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(C)c2)cc1Cl
BDBM50314594 CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
BDBM50314595 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
BDBM50314596 CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Cl
BDBM50314597 CCN1CCN(CC1)c1ccc(NC(=O)c2cc(ccc2C(F)(F)F)C(F)(F)F)cc1Cl
BDBM50314598 CCN1CCN(CC1)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1Cl
BDBM50314599 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
BDBM50327632 FC(F)(F)Oc1ccc2N(Cc3cccc(c3)-c3ccccc3)C(=O)C(=O)c2c1
BDBM50327633 Fc1cc(ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12)-c1ccccc1
BDBM50327634 Fc1cc(cc(F)c1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12)-c1ccccc1
BDBM50327635 FC(F)(F)Oc1ccc2N(Cc3ccc4OCOc4c3)C(=O)C(=O)c2c1
BDBM50327636 FC(F)(F)Oc1ccc2N(Cc3cccc(Oc4ccccc4)c3)C(=O)C(=O)c2c1
BDBM50327637 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3cccnc3)C(=O)C(=O)c2c1
BDBM50327638 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccncc3)C(=O)C(=O)c2c1
BDBM50327639 FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3cncnc3)C(=O)C(=O)c2c1
BDBM50327640 FC(F)(F)Oc1ccc2N(Cc3ccc(Cl)nc3)C(=O)C(=O)c2c1
BDBM50327641 FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3ccccc3)C(=O)C(=O)c2c1
BDBM50327642 FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3cccnc3)C(=O)C(=O)c2c1
BDBM50327643 FC(F)(F)Oc1ccc2N(Cc3ccc(cn3)-c3ccncc3)C(=O)C(=O)c2c1
BDBM50327644 FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3ccccc3)C(=O)C(=O)c2c1
BDBM50327645 FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3cccnc3)C(=O)C(=O)c2c1
BDBM50327646 FC(F)(F)Oc1ccc2N(Cc3ccc(nc3)-c3ccncc3)C(=O)C(=O)c2c1
BDBM50327647 FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccn4)cc3)C(=O)C(=O)c2c1
BDBM50327648 Fc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc34)cc2)n1
BDBM50327649 COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc34)cc2)n1
BDBM50327650 FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4nccs4)cc3)C(=O)C(=O)c2c1
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50326217 COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50336544 C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O |r|
BDBM50342538 C(c1ccccc1)c1ncc2CCNCCc2n1
BDBM50334455 Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
BDBM50352152 Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
BDBM50352153 C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
BDBM50353901 Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
BDBM50353902 COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
BDBM50353903 Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
BDBM50347782 Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
BDBM50347783 Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
BDBM50356966 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
BDBM50355610 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)|
BDBM50355622 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1
BDBM50362394 O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
BDBM50374004 CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41|
BDBM50374005 CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
BDBM50374006 CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50382118 CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
BDBM50382119 CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
BDBM50382121 CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
BDBM50382122 CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
BDBM50382123 CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
BDBM50382129 CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50368127 CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
BDBM50384286 C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
BDBM50384293 C(C1CCCCC1)N1CCCC1
BDBM50384295 C(C1CCCCC1)N1C2CCC1CC2
BDBM50387760 O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
BDBM50387762 O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
BDBM50391741 Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1
BDBM50391742 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1
BDBM50391743 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
BDBM50385672 CN(C)CC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50385673 C[N+](C)(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385674 C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50385675 CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385676 CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385677 CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385678 C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
BDBM50385679 C[N+](C)(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385680 C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50385681 CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385682 C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385683 C[N+](C)(C)C[C@@H]1COC[C@H](O1)C(c1ccccc1)c1ccccc1 |r|
BDBM50395966 CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
BDBM50401358 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401359 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401361 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50401362 COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
BDBM50401363 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401367 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401376 COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401382 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401384 COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50415145 CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415146 CN1CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415147 CN1CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415148 CN1CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415149 CN1CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
BDBM50415150 CN1CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
BDBM50415151 C[N+]1(C)CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
BDBM50415152 C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
BDBM50415153 C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415154 C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415155 C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415156 C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415157 C[N+]1(C)CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
BDBM50415158 C[N+]1(C)CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
BDBM50415221 C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
BDBM50415222 C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415223 C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
BDBM50415224 C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415225 C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415212 C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
BDBM50415213 C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
BDBM50415214 CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415215 C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
BDBM50415216 CC1(C)CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415143 CN1CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
BDBM50415144 CN1CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
BDBM50415217 C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415218 C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50415219 C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
BDBM50415220 CC1(C)COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50403547 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
BDBM50417445 C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
BDBM50416139 C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
BDBM50416140 Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
BDBM50416141 C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
BDBM50416166 Clc1csc(n1)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416206 Clc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416725 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
BDBM50416726 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
BDBM50416727 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
BDBM50416728 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
BDBM50416729 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:4.3,7.7,(21.01,-2.29,;19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.68,-11.46,;7.22,-11.46,)|
BDBM50416730 COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:5.4,8.8,(21.77,-.95,;21.02,-2.29,;19.48,-2.31,;18.72,-3.65,;17.18,-3.67,;16.43,-5.02,;14.89,-5.04,;14.13,-6.38,;14.92,-7.7,;13.38,-7.7,;16.47,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.37,;14.22,-11.71,;12.67,-11.73,;11.88,-10.42,;12.63,-9.07,;11.94,-13.09,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;6.46,-12.8,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.94,-15.61,;12.85,-14.35,;14.39,-14.35,)|
BDBM50416731 COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:5.4,8.8,(17.03,-5.3,;16.28,-6.64,;14.74,-6.66,;13.99,-8,;12.45,-8.02,;11.69,-9.36,;10.15,-9.39,;9.39,-10.73,;10.19,-12.05,;8.64,-12.05,;11.73,-12.03,;12.48,-10.69,;9.43,-13.39,;10.22,-14.71,;9.48,-16.05,;7.94,-16.08,;7.14,-14.77,;7.89,-13.42,;7.2,-17.43,;5.72,-17.91,;4.38,-17.16,;3.05,-17.92,;3.05,-19.48,;4.39,-20.24,;5.72,-19.48,;7.2,-19.96,;8.11,-18.7,;9.65,-18.7,;1.72,-17.15,;.39,-16.38,)|
BDBM50416732 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416733 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
BDBM50416734 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.16,-5.34,;11.46,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
BDBM50416735 CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:2.1,5.5,(18.25,.07,;16.71,.05,;15.95,-1.29,;14.41,-1.31,;13.66,-2.66,;14.45,-3.97,;12.9,-3.97,;15.99,-3.95,;16.74,-2.62,;13.69,-5.31,;14.48,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.15,-5.34,;11.46,-9.36,;12.37,-10.62,;13.91,-10.62,;11.46,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.83,)|
BDBM50416736 CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:2.1,5.5,(6.13,6.12,;4.59,6.1,;3.84,4.76,;2.3,4.74,;1.54,3.39,;2.33,2.07,;.79,2.07,;3.87,2.09,;4.62,3.43,;1.58,.73,;2.37,-.59,;1.62,-1.93,;.08,-1.96,;-.71,-.64,;.04,.7,;-.65,-3.31,;-2.14,-3.79,;-3.47,-3.03,;-4.8,-3.8,;-6.13,-3.02,;-4.8,-5.35,;-3.47,-6.12,;-2.13,-5.35,;-.65,-5.83,;.26,-4.57,;1.8,-4.58,)|
BDBM50416737 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2ccccc2oc1=O |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.98,-9.84,;8.65,-9.08,;7.32,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
BDBM50416738 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416739 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;8.66,-12.17,;8.66,-13.71,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416240 Cc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416244 Fc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416249 CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
BDBM50412416 C1CNC(C1)c1ccco1
BDBM50412418 Cc1ccc(o1)[C@@H]1CCC[N+]1(C)C |r|
BDBM50412419 Cc1ccc(o1)[C@H]1CCC[N+]1(C)C |r|
BDBM50412420 C[N+]1(C)CCC[C@H]1c1ccco1 |r|
BDBM50412421 C[N+]1(C)CCC[C@@H]1c1ccco1 |r|
BDBM50412422 CN1CCC[C@H]1c1ccc(C)o1 |r|
BDBM50412423 CN1CCC[C@@H]1c1ccc(C)o1 |r|
BDBM50412424 CN1CCC[C@H]1c1ccco1 |r|
BDBM50412425 CN1CCC[C@@H]1c1ccco1 |r|
BDBM50412426 Cc1ccc(o1)[C@@H]1CCCN1 |r|
BDBM50412173 CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412174 C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412427 Cc1ccc(o1)[C@H]1CCCN1 |r|
BDBM50412428 C1CN[C@@H](C1)c1ccco1 |r|
BDBM50412429 C1CN[C@H](C1)c1ccco1 |r|
BDBM50412175 CN1CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412176 CN1CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412177 CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412178 CN1CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412179 CN1CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412180 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412181 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412182 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412183 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412184 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412185 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50426223 CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 |t:5|
BDBM50426224 CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccccc1 |t:5|
BDBM50426225 CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 |t:5|
BDBM50426226 CCOC(=O)C1=C(CCN(CCc2ccc3OCOc3c2)C1)c1ccccc1 |t:5|
BDBM50426227 CCOC(=O)C1=C(CCN(CCc2ccc3OCCc3c2)C1)c1ccccc1 |t:5|
BDBM50426228 CCOC(=O)C1=C(CCN(CCc2ccc(OC)cc2)C1)c1ccccc1 |t:5|
BDBM50426229 CCOC(=O)C1=C(CCN(CCc2ccccc2)C1)c1ccccc1 |t:5|
BDBM50426230 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2OC)cc1OC |t:11|
BDBM50426231 COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc(OC)c(OC)c1 |t:9|
BDBM50426232 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2F)cc1OC |t:11|
BDBM50426233 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2cccc(F)c2)cc1OC |t:11|
BDBM50426234 COc1ccccc1C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|
BDBM50426235 COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|
BDBM50426236 CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1F |c:4|
BDBM50426237 CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1cccc(F)c1 |c:4|
BDBM50426238 CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccc(F)cc1 |c:5|
BDBM50426239 COc1ccc(OCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:12|
BDBM50426240 COC(COC(=O)C1=C(CCN(C)C1)c1ccccc1)c1ccccc1 |t:7|
BDBM50426241 CN1CCC(=C(C1)C(=O)OCCc1cccc2ccccc12)c1ccccc1 |c:4|
BDBM50426242 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
BDBM50426243 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1C |t:11|
BDBM50426244 CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1 |c:4|
BDBM50426245 CN1CCC(=C(C1)C(=O)OCCc1cccc(C)c1)c1ccccc1 |c:4|
BDBM50426246 CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:4|
BDBM50426247 CSc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
BDBM50426248 CN1CCC(=C(C1)C(=O)OCCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
BDBM50426249 CN1CCC(=C(C1)C(=O)OCc1ccc2OCCc2c1)c1ccccc1 |c:4|
BDBM50426250 COc1ccc(CCCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:13|
BDBM50426251 CCCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:7|
BDBM50426252 CCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:6|
BDBM50426253 CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
BDBM50426254 CCCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:7|
BDBM50426255 CCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:6|
BDBM50426256 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|
BDBM50426257 COc1ccc(CCOC(=O)C2=C(CCN(Cc3ccc(OC)cc3)C2)c2ccccc2)cc1 |t:11|
BDBM50426258 CCN1CCC(=C(C1)C(=O)OCCc1ccsc1)c1ccccc1 |c:5|
BDBM50426259 CCN1CCC(=C(C1)C(=O)OCCc1ccncc1)c1ccccc1 |c:5|
BDBM50426260 CCN1CCC(=C(C1)C(=O)OCCc1ccccn1)c1ccccc1 |c:5|
BDBM50426261 CCN1CCC(=C(C1)C(=O)OCCc1c(C)cc(C)cc1C)c1ccccc1 |c:5|
BDBM50426262 CCN1CCC(=C(C1)C(=O)OCCc1cc(OC)c(OC)c(OC)c1)c1ccccc1 |c:5|
BDBM50426263 CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)c(F)c1)c1ccccc1 |c:5|
BDBM50426264 CCN1CCC(=C(C1)C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |c:5|
BDBM50426265 CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCOc2c1)c1ccccc1 |c:5|
BDBM50426266 CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|
BDBM50426267 CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:5|
BDBM50426268 CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
BDBM50426269 CCN1CCC(=C(C1)C(=O)OCCc1ccc(Br)cc1)c1ccccc1 |c:5|
BDBM50426270 CCN1CCC(=C(C1)C(=O)OCCc1ccc(Cl)cc1)c1ccccc1 |c:5|
BDBM50426271 CCN1CCC(=C(C1)C(=O)OCCc1ccc(F)cc1)c1ccccc1 |c:5|
BDBM50426272 CCN1CCC(=C(C1)C(=O)OCCc1ccccc1C)c1ccccc1 |c:5|
BDBM50426273 CCN1CCC(=C(C1)C(=O)O[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1 |r,c:5|
BDBM50426274 CCN1CCC(=C(C1)C(=O)OCCCc1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50426275 CCN1CCC(=C(C1)C(=O)OCc1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50426276 CCN1CCC(=C(C1)C(=O)OCCc1cccc(OC)c1)c1ccccc1 |c:5|
BDBM50426277 CCN1CCC(=C(C1)C(=O)OCCc1ccccc1OC)c1ccccc1 |c:5|
BDBM50426279 CN1CCC(=CC1)c1ccccc1C(=O)OCCc1ccc2OCCc2c1 |c:4|
BDBM50426280 CN1CCC(C(=O)OCCc2ccc3OCCc3c2)=C(C1)c1ccccc1 |c:20|
BDBM50426281 COc1ccc(CCOC(=O)C2=C(CN(C)CC2)c2ccccc2)cc1OC |t:11|
BDBM50426284 CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
BDBM50423968 Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
BDBM50423967 Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
BDBM50445224 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50018019 Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
BDBM50048350 [I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r|
BDBM50048351 [I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
BDBM50048352 [I-].C[N+](C)(C)C[C@@H]1COCCO1 |r|
BDBM50042302 COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042305 CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042309 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCOCC1
BDBM50042316 COc1cccc(c1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042320 Fc1cc(ccn1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042348 COc1cccc(c1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042446 COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042458 CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042584 COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50023236 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)s1
BDBM50023242 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50023247 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1 |r|
BDBM50023253 CCN(Cc1cccc(OC)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023258 CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023268 CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023271 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1OC
BDBM50023274 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(nc1)C(F)(F)F
BDBM50024542 O[C@H]1C[C@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wD:3.5,1.0,(35.3,-13.38,;33.97,-14.16,;32.48,-13.77,;32.09,-15.25,;33.58,-15.65,;30.76,-16.03,;29.43,-15.26,;29.42,-13.72,;28.1,-16.04,;26.76,-15.28,;25.43,-16.05,;25.43,-17.59,;26.76,-18.36,;28.1,-17.59,;24.09,-18.36,;22.76,-19.13,;21.43,-19.9,;21.43,-21.43,;20.1,-22.2,;18.76,-21.43,;18.76,-19.89,;17.43,-19.12,;20.09,-19.12,)|
BDBM50024560 COc1cccc(\C=N\N=C\c2cccc(OC)c2)c1
BDBM50024561 Clc1cccc(\C=N\N=C\c2cccc(Cl)c2)c1
BDBM50024562 O[C@H]1C[C@@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r,wU:1.0,wD:3.5,(42.58,-27.98,;41.21,-28.69,;40.69,-30.14,;39.24,-29.61,;39.76,-28.17,;37.97,-30.49,;36.64,-29.72,;36.63,-28.18,;35.3,-30.5,;33.97,-29.73,;32.64,-30.5,;32.64,-32.05,;33.97,-32.82,;35.31,-32.05,;31.3,-32.82,;29.97,-33.59,;28.64,-34.36,;28.64,-35.89,;27.31,-36.66,;25.97,-35.89,;25.97,-34.35,;24.64,-33.58,;27.3,-33.58,)|
BDBM50023263 CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50030196 CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030221 CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030222 CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030223 CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030224 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030225 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030242 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030243 OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030245 OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030246 OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030247 OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030248 OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030249 OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030251 O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
BDBM50048349 [I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
BDBM50023231 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM50042299 COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042300 COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042301 COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042303 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
BDBM50042304 CC(C)Oc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042306 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccncc1
BDBM50042307 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1cccnc1
BDBM50042308 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccn1
BDBM50042311 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCC1
BDBM50042312 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCCC1
BDBM50042313 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CCCCC1
BDBM50042314 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Oc2ccccc2)cc1
BDBM50042315 COc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042317 COc1ccccc1C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50042318 Fc1cc(cc(F)n1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042319 Clc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccnnc1
BDBM50042321 Fc1ccc(cn1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042342 CN(C)c1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042344 Fc1cc(cc(F)c1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042345 CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042346 CCOc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042347 COc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042350 COc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
BDBM50042441 COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|
BDBM50042442 COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042443 COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042450 COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042451 COc1ccc(cc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042452 COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042453 COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(OC(C)C)cc1
BDBM50042455 CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
BDBM50042457 CC(C)Oc1ccc(cc1)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(OC(C)C)cc1
BDBM50042460 COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042461 COc1cc(ccc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042474 COc1cc(ccc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042475 COc1ccc(cc1Cl)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042476 COc1ccc(cc1F)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042477 Fc1cc(cc(F)c1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
BDBM50042478 CC(C)Oc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042487 CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
BDBM50042583 COc1cc(ccc1C)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
BDBM50023232 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
BDBM50023229 CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023230 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM50023233 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(OC)c1
BDBM50023234 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
BDBM50042310 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12C1CC1
BDBM50023235 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
BDBM50023237 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1
BDBM50023238 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1
BDBM50023239 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023240 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023241 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2nsnc2c1
BDBM50023243 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1 |r|
BDBM50023244 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1 |r|
BDBM50023245 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1 |r|
BDBM50023246 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1 |r|
BDBM50023248 CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1 |r|
BDBM50023249 CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023250 CCN(Cc1cccc(F)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023251 CCN(Cc1ccccc1F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023252 CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023254 CCN(Cc1cccc(C)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023255 CCN(Cc1ccccc1C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023256 CCN(Cc1ccccc1OC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023257 CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023259 CCN(Cc1cccc(c1)C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
BDBM50023260 CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023261 CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023262 FC(F)(F)c1ccccc1CN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023264 FC(F)(F)c1ccccc1CN(C1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023265 OCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023266 FCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023267 CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023269 FC(F)(F)c1ccccc1CN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023270 FC(F)(F)c1ccccc1CN(CC1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023272 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1
BDBM50023273 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1C
BDBM50023275 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccncc1
BDBM50023276 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1
BDBM50023277 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccn1
BDBM50023278 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
BDBM50129143 COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50129179 COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
BDBM50129190 COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50129247 COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1
BDBM50129249 COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1
BDBM50129250 COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50129251 COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
BDBM50129252 COc1ccc(CCNC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50129257 COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
BDBM50129258 COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50129259 COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
BDBM50128835 O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50119648 C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
BDBM50129248 COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC
BDBM50148852 Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
BDBM50174736 Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50207517 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c2c1C
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50207463 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
BDBM50207516 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
BDBM50219349 CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|
BDBM50219350 CN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:9|
BDBM50219351 CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
BDBM50219352 CN(C)CCNC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
BDBM50219353 CN(C)CCNC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
BDBM50219354 CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
BDBM50219390 CN(C)CCC1=C\C(=C/c2cccnc2)c2ccccc12 |t:5|
BDBM50219391 CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
BDBM50219392 CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
BDBM50219393 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
BDBM50219394 CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
BDBM50219395 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
BDBM50219396 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
BDBM50219397 CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:10|