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2128 SMILES Strings for Aromatase (CYP19)

Compound NameSMILES String
BDBM20608 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
BDBM50014314 [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18|
BDBM4339 [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM7887 C(c1ccccc1)n1ccnc1
BDBM8588 Clc1ccc2\C(CCc2c1)=C\c1cccnc1
BDBM8589 Clc1ccc2\C(CCc2c1)=C/c1cccnc1
BDBM8590 Brc1ccc2\C(CCc2c1)=C\c1cccnc1
BDBM8632 COc1ccc2\C(CCc2c1)=C\c1cncs1
BDBM8633 COc1ccc2\C(CCc2c1)=C/c1cncs1
BDBM8634 Fc1ccc2\C(CCc2c1)=C/c1cncnc1
BDBM8635 Fc1ccc2\C(CCc2c1)=C\c1cccc2ncccc12
BDBM8636 Fc1ccc2\C(CCc2c1)=C/c1cccc2ncccc12
BDBM8591 Brc1ccc2\C(CCc2c1)=C/c1cccnc1
BDBM8592 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
BDBM8602 COc1cc2CCC\C(=C/c3cccnc3)c2cc1OC
BDBM8603 C(Oc1ccc2\C(CCc2c1)=C\c1cccnc1)c1ccccc1
BDBM8639 Fc1ccc2\C(CCc2c1)=C\c1cccc2cnccc12
BDBM8604 Cc1ccc2CC\C(=C/c3cccnc3)c2c1
BDBM8605 Cc1ccc2CC\C(=C\c3cccnc3)c2c1
BDBM8640 Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12
BDBM8642 Fc1ccc2\C(CCc2c1)=C\c1ccnc2ccccc12
BDBM8643 Fc1ccc2\C(CCc2c1)=C/c1ccnc2ccccc12
BDBM8606 Cc1cccc2\C(CCc12)=C/c1cccnc1
BDBM8607 Fc1cccc2\C(CCc12)=C\c1cccnc1
BDBM8608 Clc1cccc2\C(CCc12)=C\c1cccnc1
BDBM8648 C1C(c2ccccc2\C1=C\c1cccnc1)c1ccccc1
BDBM8609 Clc1cccc2\C(CCc12)=C/c1cccnc1
BDBM8610 [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
BDBM8611 N#Cc1ccc(cc1)C1CCCc2cncn12
BDBM8612 C1Cc2ccccc2\C1=C/c1ccncc1
BDBM8613 C1C\C(=C/c2ccncc2)c2ccccc2C1
BDBM8614 Fc1ccc2\C(CCc2c1)=C\c1ccncc1
BDBM8615 Fc1ccc2\C(CCc2c1)=C/c1ccncc1
BDBM8616 C1Cc2ccccc2\C1=C\c1ccncc1
BDBM8617 Fc1cccc2\C(CCc12)=C/c1cccnc1
BDBM8618 Clc1ccc2\C(CCc2c1)=C\c1ccncc1
BDBM8619 Clc1ccc2\C(CCc2c1)=C/c1ccncc1
BDBM8620 Brc1ccc2\C(CCc2c1)=C\c1ccncc1
BDBM8621 Brc1ccc2\C(CCc2c1)=C/c1ccncc1
BDBM8622 COc1ccc2\C(CCc2c1)=C\c1ccncc1
BDBM8581 C1Cc2ccccc2\C1=C\c1cccnc1
BDBM8623 COc1ccc2\C(CCc2c1)=C/c1ccncc1
BDBM8624 COc1ccc2\C(CCCc2c1)=C\c1ccncc1
BDBM8625 COc1ccc2\C(CCCc2c1)=C/c1ccncc1
BDBM8583 C1Cc2ccccc2\C1=C/c1cccnc1
BDBM8584 C1C\C(=C/c2cccnc2)c2ccccc2C1
BDBM8626 COc1ccc2CC\C(=C/c3ccncc3)c2c1
BDBM8627 COc1ccc2CC\C(=C\c3ccncc3)c2c1
BDBM8628 COc1cc2CCC\C(=C/c3ccncc3)c2cc1OC
BDBM8585 C1C\C(=C\c2cccnc2)c2ccccc2C1
BDBM8586 Fc1ccc2\C(CCc2c1)=C\c1cccnc1
BDBM8587 Fc1ccc2\C(CCc2c1)=C/c1cccnc1
BDBM8629 Cc1ccc2CC\C(=C/c3ccncc3)c2c1
BDBM8630 Cc1ccc2CC\C(=C\c3ccncc3)c2c1
BDBM8631 Fc1ccc2\C(CCc2c1)=C\c1cncnc1
BDBM8862 Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(F)c2)c1
BDBM8863 Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1
BDBM8864 COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12
BDBM8865 Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2csc3ncnc(N)c23)c1
BDBM8866 Cc1cccc(NC(=O)Nc2ccc(cc2Cl)-c2csc3ncnc(N)c23)c1
BDBM8867 COc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1csc2ncnc(N)c12
BDBM8868 Cc1cccc(NC(=O)Nc2ccc3-c4c(CCc3c2)sc2ncnc(N)c42)c1
BDBM8593 COc1ccc2\C(CCc2c1)=C\c1cccnc1
BDBM8594 COc1ccc2\C(CCc2c1)=C/c1cccnc1
BDBM8595 COc1ccc2\C(CCCc2c1)=C\c1cccnc1
BDBM8596 COc1ccc2\C(CCCc2c1)=C/c1cccnc1
BDBM8597 CCOc1ccc2\C(CCc2c1)=C\c1cccnc1
BDBM8598 CCOc1ccc2\C(CCc2c1)=C/c1cccnc1
BDBM8599 Cc1cccc2\C(CCc12)=C\c1cccnc1
BDBM8600 COc1cccc2CC\C(=C/c3cccnc3)c12
BDBM8601 COc1ccc2CC\C(=C/c3cccnc3)c2c1
BDBM8637 C(=C1c2ccccc2-c2ccccc12)c1cccnc1 |w:0.16|
BDBM8638 C(=C(c1ccccc1)c1ccccc1)c1cccnc1 |w:0.15|
BDBM8826 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
BDBM8644 C(=C1c2ccccc2-c2ccccc12)c1ccncc1 |w:0.16|
BDBM8645 C(=C(c1ccccc1)c1ccccc1)c1ccncc1 |w:0.15|
BDBM8646 CC1C\C(=C/c2cccnc2)c2ccccc12
BDBM8647 CC1C\C(=C\c2cccnc2)c2ccccc12
BDBM8871 C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
BDBM8873 C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
BDBM8875 N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
BDBM8916 c1cn(cn1)-c1ccc2ccccc2c1
BDBM8949 Oc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
BDBM8950 Oc1ccc(O)c(c1)-c1ccc(Cn2ccnc2)cc1
BDBM8951 Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1
BDBM8952 Oc1ccc(c(O)c1O)-c1ccc(Cn2ccnc2)cc1
BDBM8953 Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1
BDBM8954 COc1ccc(OC)c(c1)-c1ccc(Cn2ccnc2)cc1
BDBM8955 COc1ccc(cc1OC)-c1ccc(Cn2ccnc2)cc1
BDBM8956 COc1ccc(c(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
BDBM8957 COc1cc(cc(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
BDBM8876 N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
BDBM8878 Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
BDBM8879 Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
BDBM8917 COc1cc2ccccc2cc1-n1ccnc1
BDBM8881 Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
BDBM8883 Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
BDBM8885 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
BDBM8886 N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
BDBM8888 C1C(=Cc2ccccc12)c1cccnc1 |c:1|
BDBM8889 C1Cc2ccccc2C=C1c1cccnc1 |c:9|
BDBM8890 COc1ccc2CC(=Cc2c1)c1cccnc1 |c:7|
BDBM8891 COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
BDBM8892 CC1=C(CCc2ccccc12)c1cccnc1 |t:1|
BDBM8893 CCC1=C(CCc2ccccc12)c1cccnc1 |t:2|
BDBM8894 CC1Cc2ccccc2C=C1c1cccnc1 |c:10|
BDBM8895 CC1CC(=Cc2ccccc12)c1cccnc1 |c:3|
BDBM8933 COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:13.15|
BDBM8934 COc1ccc2C(=O)C(Cc3cnc[nH]3)CCc2c1
BDBM8935 COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7|
BDBM8936 CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12 |c:1|
BDBM8904 c1ccc2cc(ccc2c1)-c1cccnc1
BDBM8937 COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14|
BDBM8938 CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc12 |c:1|
BDBM8939 COc1ccc2c(CCC3(Cc4cnc[nH]4)OC23C)c1
BDBM8942 COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC |w:8.8|
BDBM8905 COc1ccc2cc(ccc2c1)-c1cccnc1
BDBM8906 Oc1ccc2cc(ccc2c1)-c1cccnc1
BDBM8907 Brc1ccc2cc(ccc2c1)-c1cccnc1
BDBM8940 Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
BDBM8941 Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:12.14|
BDBM8944 COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1OC
BDBM8908 CCOc1ccc2cc(ccc2c1)-c1cccnc1
BDBM8909 N#Cc1ccc2cc(ccc2c1)-c1cccnc1
BDBM8910 COc1ccc2cc(ccc2c1Cl)-c1cccnc1
BDBM8943 COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1O |w:8.8|
BDBM8945 COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
BDBM8946 COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC |t:14|
BDBM8911 COc1ccc2cc(ccc2c1Br)-c1cccnc1
BDBM8912 COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
BDBM8913 COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
BDBM8914 COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
BDBM8947 Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
BDBM8948 COc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
BDBM9445 COc1ccc(cc1)-c1c(SCC=C)oc2cc(OCc3ccccc3)ccc2c1=O
BDBM9446 COc1ccc(cc1)-c1c(SCc2ccccc2)oc2cc(OCc3ccccc3)ccc2c1=O
BDBM9447 COc1ccc2c(c1)oc(SCC=C)c(-c1ccccc1)c2=O
BDBM9448 COc1ccc2c(c1)oc(SCc1ccccc1)c(-c1ccccc1)c2=O
BDBM9449 COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
BDBM9450 COc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
BDBM9451 COc1ccc2c(c1)oc(SCc1ccccn1)c(-c1ccccc1)c2=O
BDBM9452 COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O
BDBM9453 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OC)ccc2c1=O
BDBM9454 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12
BDBM9455 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc2c1=O
BDBM9456 Oc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
BDBM9457 Oc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
BDBM9458 Oc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
BDBM9459 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
BDBM9460 CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM9461 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM9462 Cc1ncc2C(c3ccccc3-c2n1)n1ccnc1
BDBM9463 O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
BDBM9464 c1cn(cn1)C1c2ccccc2-c2ccccc12
BDBM9465 c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
BDBM9466 c1nncn1C1(c2ccccc2-c2ccccc12)c1ccccc1
BDBM9467 c1cn(nn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
BDBM9468 c1ncn(n1)C1(c2ccccc2-c2ccccc12)c1ccccc1
BDBM9474 COc1ccc2c(OCCn3ccnc3)cc(=O)oc2c1
BDBM9475 O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
BDBM9482 O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
BDBM9483 COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
BDBM9485 O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
BDBM9486 S=c1ccc2cc(Cn3ccnc3)ccc2o1
BDBM9469 COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
BDBM9470 O=c1cc(Cn2ccnc2)c2ccccc2o1
BDBM9471 COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
BDBM9472 COc1ccc2c(Cn3cncn3)cc(=O)oc2c1
BDBM9473 O=c1cc(OCCn2ccnc2)c2ccccc2o1
BDBM9476 COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
BDBM9477 O=c1ccc2cc(Cn3ccnc3)ccc2o1
BDBM9478 O=c1ccc2ccc(Cn3ccnc3)cc2o1
BDBM9479 O=c1ccc2ccc(Cn3cncn3)cc2o1
BDBM9480 O=c1ccc2ccc(OCCn3ccnc3)cc2o1
BDBM9481 COc1ccc2ccc(=O)oc2c1Cn1ccnc1
BDBM9484 COc1ccc2c(cc(=O)oc2c1)-c1ccncc1
BDBM9891 COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1
BDBM9892 COc1ccc(cc1)-c1c(oc2cc(OC)ccc2c1=O)-n1ccnc1
BDBM9893 O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1
BDBM9894 COc1ccc(cc1)-c1c(oc2cc(OCc3ccccc3)ccc2c1=O)-n1ccnc1
BDBM9895 COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1cncn1
BDBM9896 COc1ccc2c(c1)oc(Sc1ncc[nH]1)c(-c1ccccc1)c2=O
BDBM9897 COc1ccc2c(c1)oc(Sc1nccn1C)c(-c1ccccc1)c2=O
BDBM9898 COc1ccc2c(c1)oc(Sc1nnc[nH]1)c(-c1ccccc1)c2=O
BDBM9899 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12
BDBM9900 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc(c3)N(=O)=O)ccc12
BDBM9901 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc12
BDBM9902 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
BDBM9903 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
BDBM9904 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCCc3ccccc3)ccc12
BDBM9905 COc1ccccc1COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
BDBM9906 COc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
BDBM9907 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCC3CCCCC3)ccc12
BDBM9908 Fc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
BDBM9909 Brc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
BDBM9910 Clc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
BDBM9911 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
BDBM9912 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccn3)ccc12
BDBM9914 O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
BDBM9915 O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
BDBM9916 Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
BDBM9917 Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
BDBM9918 O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
BDBM9919 O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
BDBM10017 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM10018 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
BDBM10019 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
BDBM10020 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
BDBM10021 NS(=O)(=O)Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
BDBM9920 N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
BDBM9940 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
BDBM9941 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
BDBM9942 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
BDBM9943 CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
BDBM9944 CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
BDBM9945 CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
BDBM9946 CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
BDBM9947 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
BDBM9948 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
BDBM9949 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
BDBM9950 CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
BDBM9951 CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
BDBM9952 CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
BDBM9953 CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
BDBM9954 CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O |c:12,t:8|
BDBM9955 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
BDBM9956 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9957 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
BDBM9958 CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
BDBM9959 CCCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
BDBM9960 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
BDBM9961 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9962 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
BDBM9963 CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
BDBM9964 CCCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
BDBM9965 CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
BDBM9966 CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
BDBM9967 CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9968 CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
BDBM9969 CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
BDBM9970 CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9971 C[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
BDBM9972 CC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9973 CCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
BDBM9974 CCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
BDBM9975 CCCCCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
BDBM9976 C[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
BDBM9977 CC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
BDBM9978 CCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
BDBM9979 CCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
BDBM9980 CCCCCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
BDBM9981 CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8|
BDBM9982 CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8|
BDBM9983 C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
BDBM9984 CC(=O)O[C@@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
BDBM9985 C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
BDBM9986 CC(=O)O[C@@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:25|
BDBM9987 C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
BDBM9988 CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
BDBM9989 C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
BDBM9990 CO[C@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:23|
BDBM9991 COC[C@]12CCC[C@H](O)C1=CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:10|
BDBM9992 C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
BDBM9993 C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
BDBM9994 C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
BDBM9995 C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
BDBM9996 C[C@]12CCC3C(CCC4=CCCC[C@]34C)C1CCC2=O |r,t:8|
BDBM9997 C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O |r,t:8|
BDBM9998 C[C@]12CCC3C(CC=C4CCCC[C@]34C)C1CCC2=O |r,t:7|
BDBM9999 C[C@]12CCC3C(CC=C4CCCC[C@]34CO)C1CCC2=O |r,t:7|
BDBM10000 COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1
BDBM10001 COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1
BDBM10002 COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1
BDBM10003 COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1ccnc1
BDBM10004 COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
BDBM10005 COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
BDBM10006 COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
BDBM10007 COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
BDBM10008 COc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
BDBM10009 COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1
BDBM10010 COc1ccc2cc(oc2c1)C(c1ccc(cc1)C(F)(F)F)n1cncn1
BDBM10011 CCc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
BDBM10012 Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
BDBM10013 Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
BDBM10014 Oc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
BDBM10015 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
BDBM10016 Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM10046 CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:9|
BDBM10047 CCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
BDBM10048 CSCCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
BDBM10049 CN(C)CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
BDBM10050 COCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
BDBM10051 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCI)C1CCC2=O |r,c:3,t:8|
BDBM10052 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCOS(C)(=O)=O)C1CCC2=O |r,c:3,t:8|
BDBM10053 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CC[Se]c3ccccc3)C1CCC2=O |r,c:3,t:8|
BDBM10054 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSc3ccccc3)C1CCC2=O |r,c:3,t:8|
BDBM10055 CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
BDBM10056 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCO)C1CCC2=O |r,c:3,t:8|
BDBM10057 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCCl)C1CCC2=O |r,c:3,t:8|
BDBM10058 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O |r,c:3,t:8|
BDBM10059 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC(F)F)C1CCC2=O |r,c:3,t:8|
BDBM10060 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccc(cc3N(=O)=O)N(=O)=O)C1CCC2=O |r,c:3,t:8|
BDBM10061 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC#C)C1CCC2=O |r,c:3,t:8|
BDBM10062 CSCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
BDBM10063 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC=C)C1CCC2=O |r,c:3,t:8|
BDBM10064 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC=C)C1CCC2=O |r,c:3,t:8|
BDBM10065 CSSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
BDBM10066 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccccc3)C1CCC2=O |r,c:3,t:8|
BDBM10067 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC3CC3)C1CCC2=O |r,c:3,t:8|
BDBM10068 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#C)C1CCC2=O |r,c:3,t:8|
BDBM10069 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCF)C1CCC2=O |r,c:3,t:8|
BDBM10070 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#N)C1CCC2=O |r,c:3,t:8|
BDBM10071 CSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SC |r,c:9,t:24|
BDBM10072 CCSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SCC |r,c:10,t:25|
BDBM10023 C1CC(c2cccnc2C1)n1ccnc1
BDBM10024 C(C1CCCc2ncccc12)n1ccnc1
BDBM10025 C(C1=CCCc2ncccc12)n1ccnc1 |t:1|
BDBM10026 C(Cn1ccnc1)C1CCCc2ncccc12
BDBM10027 C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
BDBM10028 C(Cn1ccnc1)c1cccc2ncccc12
BDBM10029 C(Cn1ccnc1)C1CCCc2ccccc12
BDBM10030 C(CC1CCCc2ncccc12)Cn1ccnc1
BDBM10031 C(CC1=CCCc2ncccc12)Cn1ccnc1 |t:2|
BDBM10032 C(Cn1ccnc1)C1CCCc2occc12
BDBM10033 C(Cn1ccnc1)C1CCCc2sccc12
BDBM10034 C(\C=C1/CCCc2occc12)n1ccnc1
BDBM10035 C(\C=C1\CCCc2occc12)n1ccnc1
BDBM10036 C(\C=C1/CCCc2sccc12)n1ccnc1
BDBM10037 C(\C=C1\CCCc2sccc12)n1ccnc1
BDBM10038 C(Cn1ccnc1)c1cccc2sccc12
BDBM10039 C1CC(c2ncccc2C1)n1ccnc1
BDBM10040 c1cn(cn1)-c1ccc2cnccc2c1
BDBM10041 C(c1ccc2ccncc2c1)n1ccnc1
BDBM10043 CS[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:7,t:22|
BDBM10044 CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8|
BDBM10045 CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
BDBM13058 NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
BDBM13061 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
BDBM13062 NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM14209 O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM18161 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
BDBM21071 Nc1noc2cccc(-c3ccc(N)cc3)c12
BDBM21072 NC(=O)Nc1ccc(cc1)-c1cccc2onc(N)c12
BDBM21073 Nc1noc2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
BDBM21074 Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
BDBM21075 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
BDBM21076 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
BDBM21077 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3snc(N)c23)c1
BDBM21078 Nc1nsc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM21080 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
BDBM21081 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
BDBM21082 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
BDBM21083 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12
BDBM21084 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
BDBM21086 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
BDBM21089 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
BDBM21090 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
BDBM21093 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
BDBM21094 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c12
BDBM21095 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
BDBM21096 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
BDBM21098 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
BDBM21099 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
BDBM21101 COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
BDBM21102 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
BDBM21103 COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
BDBM21104 COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
BDBM21105 COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12
BDBM21106 COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12
BDBM21107 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3onc(N)c23)c1
BDBM21108 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3onc(N)c23)c1
BDBM21109 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
BDBM21110 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(CN3CCOCC3)c3onc(N)c23)c1
BDBM21111 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3onc(N)c23)c1
BDBM19461 Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM23420 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
BDBM22231 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
BDBM22372 C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
BDBM22319 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
BDBM25658 Fc1ccc(Nc2ncc(Br)s2)cc1
BDBM25839 Oc1cccc(c1)-c1nsc(n1)-c1cccc(O)c1
BDBM25458 [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
BDBM25680 OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM25681 CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
BDBM24311 Oc1ccc(cc1Br)C(c1ccc(O)c(Br)c1)n1cncn1
BDBM24312 COc1ccc(cc1O)C(c1ccc(OC)c(O)c1)n1cncn1
BDBM24313 COc1cc(ccc1O)C(c1ccc(O)c(OC)c1)n1cncn1
BDBM24314 Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
BDBM24315 Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
BDBM24316 Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
BDBM24317 Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
BDBM24318 Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
BDBM24320 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
BDBM24321 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1OS(N)(=O)=O
BDBM24322 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
BDBM24323 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1OS(N)(=O)=O
BDBM24324 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM24325 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
BDBM24326 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
BDBM24327 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
BDBM24328 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
BDBM24329 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1O
BDBM24330 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
BDBM24331 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C(F)(F)F
BDBM24332 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1O
BDBM24333 Oc1c(Cl)cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
BDBM24334 Oc1c(F)c(F)c(CN(c2ccc(cc2)C#N)n2cnnc2)c(F)c1F
BDBM24335 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
BDBM24336 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
BDBM24337 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
BDBM24338 COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1OS(N)(=O)=O
BDBM24339 Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
BDBM24340 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
BDBM24341 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
BDBM24342 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
BDBM24343 COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1O
BDBM24344 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1C(F)(F)F
BDBM24309 Oc1cccc(c1)C(c1cccc(O)c1)n1cncn1
BDBM24310 Oc1ccc(cc1)C(c1ccc(O)cc1)n1cncn1
BDBM24300 NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
BDBM24301 NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(OS(N)(=O)=O)c(Br)c1)n1cncn1
BDBM24302 COc1ccc(cc1OS(N)(=O)=O)C(c1ccc(OC)c(OS(N)(=O)=O)c1)n1cncn1
BDBM24303 COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
BDBM24304 NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
BDBM24305 NS(=O)(=O)Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
BDBM24306 NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
BDBM24307 NS(=O)(=O)Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
BDBM24308 NS(=O)(=O)Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM26655 Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
BDBM26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM29230 Cc1cc(=O)n(C)c2C(=O)C=CC(=O)c12 |c:10|
BDBM29210 COc1cc(=O)n(C)c2c3OCOc3ccc12
BDBM29212 Cc1cc(=O)[nH]c2c3OCOc3ccc12
BDBM29213 Cc1cc(=O)n(C)c2c3OCOc3ccc12
BDBM29214 Cc1cc(=O)[nH]c2ccccc12
BDBM29215 Cc1cc(=O)n(C)c2ccccc12
BDBM29216 COc1cccc2c(C)cc(=O)[nH]c12
BDBM29217 COc1cccc2c(C)cc(=O)n(C)c12
BDBM29218 COc1ccc2c(C)cc(=O)[nH]c2c1OC
BDBM29219 COc1ccc2c(C)cc(=O)n(C)c2c1OC
BDBM29220 COc1cc(OC)c2[nH]c(=O)cc(C)c2c1
BDBM29221 COc1cc(OC)c2n(C)c(=O)cc(C)c2c1
BDBM29222 COc1ccc(OC)c2c(C)cc(=O)[nH]c12
BDBM29223 COc1ccc(OC)c2n(C)c(=O)cc(C)c12
BDBM29224 COc1cc2c(C)cc(=O)[nH]c2c(OC)c1OC
BDBM29225 COc1cc2c(C)cc(=O)n(C)c2c(OC)c1OC
BDBM29226 COc1cc(OC)c2[nH]c(=O)cc(C)c2c1OC
BDBM29227 COc1cc(OC)c2n(C)c(=O)cc(C)c2c1OC
BDBM29228 COc1c(OC)c(OC)c2c(C)cc(=O)[nH]c2c1OC
BDBM29229 COc1c(OC)c(OC)c2n(C)c(=O)cc(C)c2c1OC
BDBM31768 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM31772 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
BDBM31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
BDBM86019 OC(c1ccco1)(c1ccc(Cl)cc1)c1cccnc1
BDBM86020 COc1ccc(cc1)C(O)(c1ccco1)c1cccnc1
BDBM86013 OC(c1cc2ccccc2o1)(c1ccc(F)cc1)c1cccnc1
BDBM86014 OC(c1cc2ccccc2o1)(c1ccc(Cl)cc1)c1cccnc1
BDBM86015 OC(c1cc2ccccc2o1)(c1ccc(Br)cc1)c1cccnc1
BDBM86016 OC(c1cc2ccccc2o1)(c1ccc(I)cc1)c1cccnc1
BDBM86017 OC(c1cc2ccccc2o1)(c1cccnc1)c1ccc(Cl)cc1Cl
BDBM86018 COc1ccc(cc1)C(O)(c1cc2ccccc2o1)c1cccnc1
BDBM85567 Oc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
BDBM85568 Oc1ccc2c(c1)oc(cc2=O)-c1ccc(Br)cc1
BDBM85569 Oc1ccc2c(c1)oc(cc2=O)-c1ccc(I)cc1
BDBM85570 Oc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(=O)=O
BDBM85571 Cc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM85572 CCCCc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM85574 CCOC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM85575 OC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM85573 COc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM85097 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
BDBM91718 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:12,t:8|
BDBM92555 COc1cc(cc(OC)c1OC)C1CC(=O)Oc2cc3OCOc3cc12
BDBM92556 COc1cc(cc(OC)c1O)C1CC(=O)Oc2cc3OCOc3cc12
BDBM92557 COc1cc(cc(OC)c1OC(C)=O)C1CC(=O)Oc2cc3OCOc3cc12
BDBM92558 COc1ccc2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1
BDBM92559 COc1cc(OC)c2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1
BDBM92560 COc1cc(cc(OC)c1OC)C1CC(=O)Nc2cc3OCOc3cc12
BDBM92561 COc1cc(cc(OC)c1O)C1CC(=O)Nc2cc3OCOc3cc12
BDBM50000306 O=C1CCc2cc(ccc2N1)-c1cccnc1
BDBM50004441 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
BDBM50004442 CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
BDBM50003129 CCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
BDBM50003130 CC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50003131 CCCCCCCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
BDBM50003132 CC[C@@]1(CC(C)(C)C(=O)NC1=O)c1ccncc1
BDBM50003133 CC[C@@]1(C[C@H](C)C(=O)NC1=O)c1ccncc1
BDBM50003134 CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50003135 CCCCCCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
BDBM50003136 CC[C@@]1(C[C@@H](C)C(=O)NC1=O)c1ccncc1
BDBM50003137 CCCCCCCC[C@H]1C[C@@](CCCCCCCC)(C(=O)NC1=O)c1ccncc1
BDBM50005869 COCSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
BDBM50005871 CSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:2|
BDBM50005873 C[C@]12CC=C3C(CCC4C(=O)C(=O)CC[C@]34C)C1CCC2=O |c:3|
BDBM50005874 C[C@]12CCC3C(CCC4=C(SCF)C(=O)CC[C@]34C)C1CCC2=O |c:8|
BDBM50005875 C[C@]12CC=C3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O |c:3|
BDBM50005876 C[C@]12CCC3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:8|
BDBM50005877 C[C@]12CCC3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O
BDBM50005878 C[C@]12CC=C3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:3,8|
BDBM50005879 CSCSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
BDBM50005881 COCOC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
BDBM50008724 N#CCCCC1CCCc2cncn12
BDBM50008725 N#Cc1ccc(cc1)C1CCCCc2cncn12
BDBM50008726 OCc1ccc(cc1)C1CCCc2cncn12
BDBM50008729 Cc1cncn1Cc1ccc(cc1)C#N
BDBM50008730 OC(=O)c1ccc(cc1)C1CCCc2cncn12
BDBM50008733 N#Cc1ccc(Cn2ccnc2)cc1
BDBM50006551 Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
BDBM50006552 Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCC1
BDBM50009435 CC12CCC3C(CCC4=CCCCC34C(F)F)C1CCC2=O |t:8|
BDBM50009436 CC(=O)OCC12CCCC=C1CCC1C3CCC(=O)C3(C)CCC21 |c:9|
BDBM50009437 CC12CCC3C(CCC4=CCCCC34CO)C1CCC2O |t:8|
BDBM50009438 CC(=O)OC1CCC2C3CCC4=CCCCC4(CO)C3CCC12C |t:11|
BDBM50009440 CC(=O)OCC12CCCC=C1CCC1C3CCC(O)C3(C)CCC21 |c:9|
BDBM50009442 CC(=O)OCC12CCCC=C1CCC1C3CCC(OC(C)=O)C3(C)CCC21 |c:9|
BDBM50009613 COc1ccc2CCC(Cc3ccncc3)C(=O)c2c1
BDBM50009614 O=C1C(Cc2ccncc2)CCc2ccccc12
BDBM50009615 Oc1ccc2CCC(Cc3ccncc3)C(=O)c2c1
BDBM50009616 Oc1ccc2CC\C(=C/c3ccncc3)C(=O)c2c1
BDBM50009617 Oc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
BDBM50009618 COc1cccc2C(=O)C(Cc3ccncc3)CCc12
BDBM50009434 CC12CCC3C(CCC4=CCCCC34C)C1CCC2O |t:8|
BDBM50009605 O=C1\C(CCc2ccccc12)=C\c1ccncc1
BDBM50009606 Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
BDBM50009607 Oc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
BDBM50009608 COc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
BDBM50009609 Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
BDBM50009430 CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O |t:8|
BDBM50009431 CC12CCC3C(CCC4=CCCCC34C)C1C[C@H](Br)C2=O |t:8|
BDBM50009433 CC12CCC3C(CCC4=CCCCC34C(O)C#C)C1CCC2=O |t:8|
BDBM50009610 COc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
BDBM50009611 COc1ccc2CC\C(=C/c3ccncc3)C(=O)c2c1
BDBM50009612 COc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
BDBM50011755 Nc1ccc(cc1)C12CC(C1)C(=O)NC2=O |(8.22,.27,;6.89,-.5,;5.54,.28,;4.2,-.47,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;2.88,-2.78,;1.55,-2.01,;.23,-2.78,;1.56,-3.55,;.23,-4.32,;-1.11,-5.09,;1.55,-5.09,;2.88,-4.32,;4.21,-5.09,)|
BDBM50011756 Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)|
BDBM50011757 Nc1ccc(cc1)[C@]12C[C@H]1C(=O)NC2=O
BDBM50011758 COc1ccc(CN2C(=O)C3CC(C3)(C2=O)c2ccc(N)cc2)cc1 |(-5.12,-8.95,;-3.78,-9.72,;-2.44,-8.93,;-2.44,-7.39,;-1.11,-6.62,;.22,-7.41,;1.55,-6.64,;1.55,-5.1,;.23,-4.33,;-1.11,-5.1,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.21,-5.1,;4.21,-2.02,;5.54,-2.8,;6.89,-2.04,;6.9,-.5,;8.23,.27,;5.54,.28,;4.2,-.47,;.23,-8.93,;-1.1,-9.7,)|
BDBM50011759 CCCCCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-5.11,-16.64,;-3.78,-15.87,;-3.78,-14.33,;-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
BDBM50011760 Nc1ccc(cc1)C12CC1C(=O)NC2=O
BDBM50011761 CCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
BDBM50011762 Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O
BDBM50011763 Nc1ccc(cc1)[C@@]12C[C@@H]1C(=O)NC2=O
BDBM50011764 Nc1ccc(cc1)C12CC(C1)C(=O)N(CC1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;.22,-7.42,;.23,-8.96,;-1.11,-9.71,;-2.45,-8.94,;-2.45,-7.4,;-1.11,-6.64,;2.88,-4.33,;4.22,-5.11,)|
BDBM50011765 CCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
BDBM50012193 C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@@H](O)[C@@]34C5)C1CCC2=O |t:8|
BDBM50012194 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(=O)CBr)C1CCC2=O |t:8|
BDBM50012195 C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@H](O)[C@@]34C5)C1CCC2=O |t:8|
BDBM50012196 C[C@]12CCC3C(CCC4=CC(=O)[C@H]5CC[C@@]34C5)C1CCC2=O |t:8|
BDBM50012197 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CBr)C1CCC2=O |t:8|
BDBM50012198 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CCl)C1CCC2=O |t:8|
BDBM50012199 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CI)C1CCC2=O |t:8|
BDBM50011766 CCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
BDBM50011767 CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
BDBM50011768 CC(C)CN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.96,;.22,-7.42,;-1.11,-6.65,;1.55,-6.65,;1.55,-5.11,;.23,-4.33,;-1.11,-5.11,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.22,-5.11,;4.22,-2.02,;5.55,-2.81,;6.9,-2.04,;6.91,-.5,;8.24,.27,;5.55,.28,;4.21,-.47,)|
BDBM50011770 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CS3)C1CCC2=O |t:8|
BDBM50011771 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CS3)C1CCC2=O |t:8|
BDBM50011438 Nc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM50011774 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CO3)C1CCC2=O |t:8|
BDBM50011775 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8|
BDBM50014448 O=C(Cc1ccncc1)OC1CCCCC1
BDBM50014449 CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3|
BDBM50014559 CC12CCC3C(C1CCC2=O)C(Cc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:22,t:24|
BDBM50014450 CC(C(=O)OC1CCCCC1)c1ccncc1
BDBM50014451 CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
BDBM50014452 CC(C)(C(=O)OC1CCCCC1)c1ccncc1
BDBM50014560 CC12CCC3C(C1CCC2=O)C(Cc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:24,t:26|
BDBM50014561 CC12CCC3C(C1CCC2=O)C(CCc1ccccc1)=CC1=CC(=O)CCC31C |c:22,t:24|
BDBM50014562 CC12CCC3C(C1CCC2=O)C(Cc1ccccc1)=CC1=CC(=O)CCC31C |c:21,t:23|
BDBM50014563 CC12CCC3C(C1CCC2=O)C(CCc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:25,t:27|
BDBM50014564 CC12CCC3C(C1CCC2=O)C(=CC1=CC(=O)CCC31C)c1ccccc1 |c:13,t:15|
BDBM50014565 CC12CCC3C(C1CCC2=O)C(CCc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:23,t:25|
BDBM50014299 C[C@]12CCC3C(CCC4=CC(=O)C(C)(C)C[C@]34C)C1CCC2=O |t:8|
BDBM50014453 O=C(Cc1ccncc1)OC1CCCC1
BDBM50014454 O=C(Cc1ccncc1)Oc1ccccc1
BDBM50014455 CC1CCC(C1)OC(=O)Cc1ccncc1
BDBM50014301 C[C@@]12CCCC1C1CCC3=CC(=O)C=C[C@]3(C)C1CC2 |c:14,t:10|
BDBM50014302 C[C@]12CCC3C(CCC4=CC(=C)CC[C@]34C)C1CCC2=O |t:8|
BDBM50014304 C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(NC(=O)CBr)cc1 |t:15|
BDBM50014305 C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C(F)F)C1CCC2=O
BDBM50014456 CC1(C)C2CCC1(C)C(C2)OC(=O)Cc1ccncc1
BDBM50014457 CCC1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
BDBM50014458 CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
BDBM50014306 Clc1ccc(COC(Cn2cccc2)c2ccc(Cl)cc2Cl)cc1
BDBM50014307 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(F)F)C1CCC2=O |t:8|
BDBM50014308 C[C@]12CCC3C(CCC4C(=N)C(=O)CC[C@]34C)C1CCC2=O
BDBM50014309 C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(I)cc1 |t:15|
BDBM50014310 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CCC2=O |t:8|
BDBM50014311 CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:7|
BDBM50014312 C\C=C\[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8|
BDBM50014315 Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1
BDBM50014316 C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(cc1)N=[N+]=[N-] |t:15|
BDBM50014318 C[C@]12CCC3C(C[C@@H](Br)C4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)CBr |t:9|
BDBM50014319 Oc1ccc2ccc3c(oc(cc3=O)-c3ccccc3)c2c1
BDBM50014322 CCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8|
BDBM50014323 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
BDBM50014325 C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC(=O)O2 |c:12,t:8|
BDBM50014459 O=C(Cc1ccncc1)OC1=CC2CCC1C2 |t:11,TLB:9:10:16:14.13|
BDBM50014460 CC1CCC(CC1)OC(=O)Cc1ccncc1 |(-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
BDBM50014461 CC1(CCCCC1)OC(=O)Cc1ccncc1
BDBM50014462 O=C(Cc1ccncc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
BDBM50014463 CC(C)OC(=O)Cc1ccncc1
BDBM50014464 CC(C)CC(C)OC(=O)Cc1ccncc1
BDBM50014465 CC(C)CCOC(=O)Cc1ccncc1
BDBM50017826 CC12CCC(=O)C(=O)C1CCC1C2CCC2(C)C1CCCC2=O
BDBM50015969 CC[C@@]1(CCC(=O)N(C)C1=O)c1ccncc1
BDBM50015970 CCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015971 CCCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015973 CCCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015974 CCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015975 CCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015976 CCCCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015977 CCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015978 CCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015979 CCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50015980 CCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015981 CCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015982 CCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015983 CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50015984 C[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015985 CCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50015986 CCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015987 CCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
BDBM50015972 CCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
BDBM50014788 c1cn(cn1)C(c1ccccc1)c1ccccc1
BDBM50020641 CC(=O)OCC1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:17,t:13|
BDBM50020642 CCC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12|
BDBM50020643 COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12|
BDBM50020644 COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1C |c:16,t:12|
BDBM50020646 CC1C2CCC3=CC(=O)C=CC3(C)C2CCC1(C)C(O)=O |c:9,t:5|
BDBM50020295 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CS)C1CCC2=O |t:8|
BDBM50020296 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34S)C1CC[C@@H]2O |t:8|
BDBM50020297 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34S)C1CCC2=O |t:8|
BDBM50020298 C[C@]12CCC3C(CCC4CC(=O)C(=S)C[C@]34C)C1CCC2=O
BDBM50020638 CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C(O)=O |c:12,t:8|
BDBM50020639 CC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:15,t:11|
BDBM50020640 CC12CCCC1C1CCC3=CC(=O)C=CC3(C)C1CC2 |c:14,t:10|
BDBM50020645 CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C=O |c:12,t:8|
BDBM50020647 CC1(CO)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:14,t:10|
BDBM50024543 CCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024544 CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50025053 Nc1ccc(cc1)C1CCC(=O)NC1=O
BDBM50025054 CC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025055 CC(C)CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025056 CCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025057 CCCCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025058 CCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025059 CCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025060 CCC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025061 CC(C)CC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025062 CCCC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025063 CC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025064 CCCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50025065 CCC(C)CC1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50024545 CCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024546 CCCCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024547 CCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024548 CCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024549 CCCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024550 CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024551 CC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024552 CCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024553 CCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024554 CCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50024555 CCCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024556 CCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024557 CCCCCC1(CCC(=O)NC1=O)c1ccncc1
BDBM50024558 CCC1(CCC(=O)N(C)C1=O)c1ccncc1
BDBM50024559 CCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
BDBM50025151 CN1C(=O)CC(C1=O)c1ccc(N)cc1
BDBM50025152 CCC1(CC(=O)NC1=O)c1ccc(N)cc1
BDBM50025153 CN1C(=O)CC(C)(C1=O)c1ccc(N)cc1
BDBM50025154 Nc1ccc(cc1)C1CC(=O)NC1=O
BDBM50025155 CC1(CC(=O)NC1=O)c1ccc(N)cc1
BDBM50029226 CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10|
BDBM50029227 C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
BDBM50029228 CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9|
BDBM50029229 CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11|
BDBM50028166 CC(C)(C(=O)c1cccnc1)c1cccnc1
BDBM50029231 C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
BDBM50029232 C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
BDBM50029233 O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
BDBM50029234 C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3|
BDBM50029236 CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11|
BDBM50029237 CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8|
BDBM50029238 C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3|
BDBM50029239 C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3|
BDBM50029240 C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3|
BDBM50029241 CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8|
BDBM50029242 C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3|
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50025428 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O |t:8|
BDBM50029235 CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)|
BDBM50029230 CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)|
BDBM50029593 CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
BDBM50032227 CC12CCC3C(C1CCC2=O)[C@@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
BDBM50032228 CC12CCC3C(C1CCC2=O)C(CC1=CC(=O)CCC31C)Sc1ccc(N)cc1 |t:15|
BDBM50032229 CC12CCC3C(C1CC[C@@H]2O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
BDBM50032230 CC12CCC3C(C1CCC2=O)[C@@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
BDBM50032231 CC12CCC3C(C1CCC2=O)[C@H](CCCc1ccccc1)CC1=CC(=O)CCC31C |t:25|
BDBM50032232 CC12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
BDBM50032233 CC12CCC3C(C1CC[C@@H]2O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
BDBM50032234 CC12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
BDBM50031666 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8|
BDBM50031676 C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21|
BDBM50031435 CC12CCC3C(CCC4=C(Oc5ccccc5)C(=O)CCC34C)C1CCC2=O |c:8|
BDBM50031436 CC12CCC3C(CCC4=C(Sc5ccccc5)C(=O)CCC34C)C1CCC2=O |c:8|
BDBM50031437 CC12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CCC31C)Sc1ccccc1 |t:15|
BDBM50031438 CC12CCC3C(C1CCC2=O)[C@@H](CC1=C(Oc2ccccc2)C(=O)CCC31C)Sc1ccccc1 |c:15|
BDBM50035204 COc1ccc2CCC3C(C3c2c1)c1ccncc1
BDBM50035205 COc1cc2C3C(CCc2cc1Br)C3c1ccncc1
BDBM50035206 COc1ccc2C3C(CCc2c1)C3c1ccncc1
BDBM50035207 Oc1cccc2C3C(CCc12)C3c1ccncc1
BDBM50035208 Oc1ccc2CCC3C(C3c2c1)c1ccncc1
BDBM50035209 C1Cc2ccccc2C2C1C2c1ccncc1
BDBM50035210 COc1ccc(Br)c2C3C(CCc12)C3c1ccncc1
BDBM50035211 Oc1ccc2C3C(CCc2c1)C3c1ccncc1
BDBM50035212 COc1cccc2C3C(CCc12)C3c1ccncc1
BDBM50035213 COc1ccc2CCC3C(c2c1)C3(C)c1ccncc1
BDBM50039158 CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C |c:17,t:15|
BDBM50039160 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O |t:8|
BDBM50039161 CC12CCC3C(CC=C4C=CCCC34C)C1CC[C@@H]2O |c:9,t:7|
BDBM50039141 CC12CCC3C(CC=C4CCCCC34CO)C1CCC2O |t:7|
BDBM50039142 CC12CCC3C(C1CCC2O)C(=O)C=C1CCCCC31CO |t:15|
BDBM50039143 CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO |c:17,t:15|
BDBM50039145 CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31CO |t:15|
BDBM50039146 CC12CCC3C(C1CCC2O)C(=O)C=C1CCCCC31C |t:15|
BDBM50039147 CC12CCC3C(C1CC[C@@H]2O)C(=O)C=C1C=CCCC31C |c:17,t:15|
BDBM50039148 CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C |t:15|
BDBM50039149 CC12CCC3C(CC=C4CCCCC34C)C1C[C@@H](Br)C2=O |t:7|
BDBM50039150 CC12CCC3C4CCCCC4=CC(=O)C3C1CCC2=O |c:11|
BDBM50039151 CC12CCC3C(CC=C4CCCCC34C=O)C1CCC2=O |t:7|
BDBM50039152 CC12CCC3C(CC=C4CCCCC34C)C1CCC2O |t:7|
BDBM50039154 CC12CCC3C(CC=C4C=CCCC34C)C1CCC2=O |c:9,t:7|
BDBM50039155 CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C=O |c:17,t:15|
BDBM50039156 CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O |t:15|
BDBM50039157 CC12CCC3C4CCC=CC4=CC(=O)C3C1CCC2=O |c:8,11|
BDBM50041311 Oc1cccc2CC(Cc3ccncc3)CCc12
BDBM50041312 COc1cccc2C(=O)\C(Cc12)=C\c1ccncc1
BDBM50041313 Oc1ccc2CC(Cc3ccncc3)CCc2c1
BDBM50041314 O=C1\C(Cc2ccccc12)=C\c1ccncc1
BDBM50041315 Oc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
BDBM50041316 COc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
BDBM50041317 Oc1cccc2CC(Cc3ccncc3)Cc12
BDBM50041318 COc1ccc2CC(Cc3ccncc3)CCc2c1
BDBM50041319 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
BDBM50041320 Oc1cccc2C(=O)\C(Cc12)=C\c1ccncc1
BDBM50041321 COc1cccc2CC(Cc3ccncc3)Cc12
BDBM50041322 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
BDBM50041323 COc1ccc2CC(Cc3ccncc3)Cc2c1
BDBM50041324 Oc1ccc2CCC(Cc3ccncc3)Cc2c1
BDBM50041325 COc1cccc2C(=O)C(Cc3ccncc3)Cc12
BDBM50041326 C(C1Cc2ccccc2C1)c1ccncc1
BDBM50041327 COc1cccc2CC(Cc3ccncc3)CCc12
BDBM50041328 O=C1C(Cc2ccncc2)Cc2ccccc12
BDBM50041329 C(C1CCc2ccccc2C1)c1ccncc1
BDBM50041330 COc1cccc2C(=O)\C(Cc12)=C/c1ccncc1
BDBM50041331 Oc1cccc2C(=O)C(Cc3ccncc3)Cc12
BDBM50041332 O=C1\C(Cc2ccccc12)=C/c1ccncc1
BDBM50041333 COc1ccc2CCC(Cc3ccncc3)Cc2c1
BDBM50041334 COc1ccc2C(=O)\C(Cc2c1)=C/c1ccncc1
BDBM50041335 Oc1ccc2CC(Cc3ccncc3)Cc2c1
BDBM50041361 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
BDBM50041362 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
BDBM50041363 CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
BDBM50041364 CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
BDBM50041365 CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
BDBM50041366 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
BDBM50041367 CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16|
BDBM50041368 CC12CCC3C(C[C@@H](C#C)C4=CC(=O)CCC34C)C1CCC2=O |t:10|
BDBM50041369 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
BDBM50041370 CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
BDBM50041371 CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10|
BDBM50041372 CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
BDBM50041373 CC12CCC3C(C[C@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
BDBM50041374 CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16|
BDBM50041375 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
BDBM50041376 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
BDBM50047259 C=C(c1ccc(cc1)C#N)n1ccnc1
BDBM50047260 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
BDBM50047261 N#Cc1ccc2C(=CCCc2c1)n1ccnc1 |c:6|
BDBM50047262 N#Cc1ccc(cc1)[C@H]1CCCc2cncn12
BDBM50047263 N#Cc1ccc(cc1)C1(CCCc2cncn12)c1ccc(cc1)C#N
BDBM50047264 Brc1ccc(cc1)\N=C(/c1ccc(cc1)C#N)n1ccnc1
BDBM50044424 Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
BDBM50044425 Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
BDBM50049177 Oc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(O)c2)cc1O
BDBM50049761 OC(C1CCc2ccccc2C1=O)c1cnccn1
BDBM50049762 C1Cc2ccccc2C2C1C2c1ccn[nH]1
BDBM50049763 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
BDBM50049764 O=C1\C(CCc2ccccc12)=C\c1cccnn1
BDBM50049765 O=C1\C(CCc2ccccc12)=C\c1cccnc1
BDBM50049766 C1Cc2ccccc2C2C1C2c1ccccc1
BDBM50049767 O=C1\C(CCc2ccccc12)=C\c1ccsc1
BDBM50049768 O=C1\C(CCc2ccccc12)=C\c1cnccn1
BDBM50049769 O=C1\C(CCc2ccccc12)=C\c1ccnnc1
BDBM50049770 O=C1\C(CCc2ccccc12)=C\c1ccccn1
BDBM50049771 C1Cc2ccccc2C2C1C2c1ccccn1
BDBM50049772 C1Cc2ccccc2C2C1C2c1ccsc1
BDBM50049774 C1Cc2ccccc2C2C1C2c1cnc[nH]1
BDBM50049775 OC(C1CCc2ccccc2C1=O)c1ccncn1
BDBM50049776 C1Cc2ccccc2C2C1C2c1cccnc1
BDBM50049777 O=C1\C(CCc2ccccc12)=C\c1cncs1
BDBM50049778 O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13|
BDBM50049779 O=C1\C(CCc2ccccc12)=C\c1ccccc1
BDBM50049780 OC(C1CCc2ccccc2C1=O)c1cccnn1
BDBM50049781 OC(C1CCc2ccccc2C1=O)c1ccnnc1
BDBM50049782 Nc1ncc(\C=C2/CCc3ccccc3C2=O)s1
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50052665 O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
BDBM50052666 CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
BDBM50052667 C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
BDBM50052668 C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
BDBM50052669 CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
BDBM50052670 O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
BDBM50052671 O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
BDBM50052672 C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
BDBM50052673 C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
BDBM50052675 O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
BDBM50051358 O=C1CC(Oc2ccccc12)c1ccccc1
BDBM50056999 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
BDBM50061153 CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
BDBM50061154 CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
BDBM50061155 CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
BDBM50061156 CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
BDBM50060417 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
BDBM50060418 CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
BDBM50070095 O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1
BDBM50070097 Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1
BDBM50075001 N#Cc1ccc(Cn2cc(Cn3ccnc3)c3ccccc23)cc1
BDBM50075002 Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
BDBM50075003 CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
BDBM50075004 CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
BDBM50075005 CCn1ccc2cc(ccc12)C(c1ccccc1)n1ccnc1
BDBM50075006 Cc1ccc(cc1)S(=O)(=O)n1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
BDBM50075007 CCn1c(C(c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc12
BDBM50075008 Clc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc12
BDBM50075009 CCn1ccc2cc(ccc12)C(c1ccc(F)cc1)n1ccnc1
BDBM50077323 Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
BDBM50079814 Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
BDBM50079815 Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
BDBM50079816 Clc1ccc(C(C2Cc3ccccc3O2)n2cncn2)c(Cl)c1
BDBM50079817 Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
BDBM50079818 Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
BDBM50079819 Clc1ccc(C(C2Cc3ccccc3O2)n2cnnn2)c(Cl)c1
BDBM50079820 Cc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
BDBM50077318 Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1
BDBM50085531 Oc1ccc(CCc2cc(O)cc(O)c2)cc1
BDBM50094191 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7|
BDBM50097368 O=c1ccoc2c(Cn3ccnc3)ccc(C#N)c12
BDBM50097369 O=c1ccoc2cc(Cn3ccnc3)ccc12
BDBM50097371 Brc1ccc(Cn2ccnc2)c2occc(=O)c12
BDBM50097361 O=c1ccoc2cc(Cn3cnnc3)ccc12
BDBM50097362 [O-][N+](=O)c1ccc(Cn2ccnc2)c2occc(=O)c12
BDBM50097363 [O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50097364 O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12
BDBM50097365 O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N
BDBM50097366 [O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12
BDBM50097367 Brc1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12
BDBM50097370 Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50097372 COc1ccc2c(c1)oc(-c1ccccc1)c(Cn1ccnc1)c2=O
BDBM50097373 O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
BDBM50106920 COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
BDBM50106737 CCCCc1ccc(NC=NO)c(C)c1 |w:10.10|
BDBM50104887 Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1
BDBM50111268 O=C1\C(=C\c2ccncc2)C(Oc2ccccc12)c1ccccc1
BDBM50111269 COc1ccc2C(=O)\C(=C\c3ccncc3)C(Oc2c1)c1ccccc1
BDBM50111270 COc1ccc2C(=O)\C(=C/c3ccncc3)C(Oc2c1)c1ccccc1
BDBM50111271 O=C1\C(=C/c2ccncc2)C(Oc2ccccc12)c1ccccc1
BDBM50118965 Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
BDBM50118966 COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
BDBM50121317 [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
BDBM50127278 CCN1CCc2cccc(C(c3ccc(F)cc3)n3cncn3)c12
BDBM50127279 CCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
BDBM50127280 CCN1CCc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
BDBM50127281 CCn1ccc2cccc(C(c3ccc(Br)cc3)n3ccnc3)c12
BDBM50127282 CCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c12
BDBM50127283 CCN1CCc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
BDBM50127284 CCn1ccc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
BDBM50127285 CCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c12
BDBM50127286 CCn1ccc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
BDBM50127287 CCn1ccc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
BDBM50130610 C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
BDBM50131692 COc1cc(OC)cc(\C=C\c2ccc(N)cc2)c1
BDBM50131698 Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1
BDBM50134807 CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
BDBM50136035 CCCCOc1ccccc1-c1ccno1
BDBM50136036 CCCCOc1cccc(c1)-c1ccno1
BDBM50136037 CCCCOc1ccc(cc1)-n1ccnc1
BDBM50136038 CCCCOc1ccc(cc1)-n1cncn1
BDBM50136039 CCCCOc1ccc(cc1)-c1n[nH]cc1C
BDBM50136040 CCCCOc1ccc(cc1)-c1ccccn1
BDBM50136041 CCCCOc1ccc(cc1)-c1ncc[nH]1
BDBM50136042 CCCCOc1ccc(cc1)-c1oncc1C
BDBM50136043 CCCCOc1ccc(cc1)-c1ccncn1
BDBM50136044 CCCCOc1ccc(cc1)-c1cc(C)[nH]n1
BDBM50136046 CCCCOc1ccc(cc1)-c1cccnc1
BDBM50136047 CCCCOc1ccc(cc1)-c1cnccn1
BDBM50136048 CCCCOc1ccc(cc1)-c1nnn[nH]1
BDBM50136049 CCCCOc1ccc(cc1)-n1ccnc1C
BDBM50136050 CCCCOc1ccc(cc1)-c1cc[n+](C)[nH]1
BDBM50136051 CCCCOc1ccc(cc1)-c1ccon1
BDBM50136053 CCCCOc1ccc(cc1)-c1cc[nH]n1
BDBM50136054 CCCCOc1ccc(NC=NO)cc1 |w:11.11|
BDBM50136055 CCCCOc1ccc(cc1)-c1cc(C)no1
BDBM50136058 CCCCOc1ccc(cc1)-c1ccno1
BDBM50136059 CCCCOc1ccc(cc1)-c1c[nH]cn1
BDBM50136060 CCCCOc1ccc(cc1)-c1cc[nH]c1
BDBM50136061 CCCCOc1ccc(cc1)-n1cnc(C)c1
BDBM50136062 CCCCOc1ccc(cc1)-c1ccnn1C
BDBM50150484 CCCCCCCC\C=C/CCCCCCCC(O)=O
BDBM50148911 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50153523 COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
BDBM50153524 COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cnnc1
BDBM50153525 Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
BDBM50176808 Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
BDBM50174541 C[C@]12CCC3C(CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)C1CCC2=O
BDBM50174542 C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C)C1CCC(=O)O2
BDBM50174543 C[C@]12CCC3C(CC[C@H]4C(=O)[C@H](O)CC[C@]34C)C1CCC2=O
BDBM50174544 C[C@]12CCC3C(CC[C@H]4C=CCC[C@]34C)C1CCC2=O |c:9|
BDBM50179635 Clc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
BDBM50179636 Fc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
BDBM50179637 Cn1ccc2cc(ccc12)C(c1ccc(Cl)cc1)n1ccnc1
BDBM50179638 Clc1cccc(c1)C(c1ccc2[nH]ccc2c1)n1ccnc1
BDBM50179639 N#Cc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
BDBM50182529 COc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182530 CN(c1ccc(cc1OCC1CCCCC1)[N+]([O-])=O)S(C)(=O)=O
BDBM50182531 CCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50182532 CCCCCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50182533 CS(=O)(=O)Nc1ccc(cc1OCC1CCCCC1)[N+]([O-])=O
BDBM50182534 COc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50182535 CCCCCCCCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182536 CCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50182537 CS(=O)(=O)Nc1ccc(cc1OC1CCCC1)[N+]([O-])=O
BDBM50182538 CCC(CC)Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50182539 CCC(CC)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182540 CC(C)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182541 CN(c1ccc(cc1OC1CCCC1)[N+]([O-])=O)S(C)(=O)=O
BDBM50182544 CCCCCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182545 CN(c1ccc(cc1OC1CCCCC1)[N+]([O-])=O)S(C)(=O)=O
BDBM50182542 CCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
BDBM50182543 CC(C)Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
BDBM50188085 Fc1ccc(Cn2ccnc2)cc1
BDBM50188087 Cc1ccc(Cn2ccnc2)cc1
BDBM50188093 [O-][N+](=O)c1ccc(Cn2ccnc2)cc1
BDBM50188097 Clc1ccc(Cn2ccnc2)cc1
BDBM50191596 COc1ccc2c(c1)oc(-c1ccc(Br)cc1)c(Cn1ccnc1)c2=O
BDBM50191597 Brc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
BDBM50191598 [O-][N+](=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
BDBM50191599 O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccccc1
BDBM50191600 COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
BDBM50191601 COc1ccc2c(c1)oc(-c1ccc(cc1)C#N)c(Cn1ccnc1)c2=O
BDBM50191602 O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccc(cc1)C#N
BDBM50191603 COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O
BDBM50191794 Fc1ccc(CCCn2ccnc2)cc1
BDBM50204912 COc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](C)[C@H](O)[C@@]3(C)Oc2c1
BDBM50205808 CN(c1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50205809 CN(c1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O)S(C)(=O)=O
BDBM50205810 CN(c1ccc(cc1OCc1ccc(C)cc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50205811 CN(c1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O)S(C)(=O)=O
BDBM50205812 CN(c1ccc(cc1OCc1ccc(F)cc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50205813 CN(c1ccc(cc1OCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50210259 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
BDBM50213234 [#6]-[#8]-[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6]-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50213235 COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
BDBM50213236 [#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50213237 [#6]-[#8]-[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50213238 [#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
BDBM50213239 [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
BDBM50213240 [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50213241 [#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50213242 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50213243 [#6]-[#8]-[#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8]-[#6])cc2-[#8]-1
BDBM50213244 [#6]-[#8]-[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50213245 [#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50213246 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50213247 [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](-[#8])-c2ccccc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6] |w:8.8|
BDBM50213248 [#6]-[#8]-c1ccc(-[#6](=O)-[#6]-[#6](-[#8])-c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50213249 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2)c(-[#8])c1
BDBM50213250 [#6]-[#8]-[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6])cc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50213251 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
BDBM50213252 [#6]-[#8]-[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50213232 COc1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1
BDBM50213233 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
BDBM50212400 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
BDBM50214969 [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50216363 O=C(c1ccccc1)c1ccccc1Cn1ccnc1
BDBM50216364 O=C(c1ccccc1)c1cccc(Cn2ccnc2)c1
BDBM50216365 [O-][N+](=O)c1ccc(Cn2ccnc2)cc1C(=O)c1ccccc1
BDBM50216366 Brc1ccc(Cn2ccnc2)c(c1)C(=O)c1ccccc1
BDBM50216367 O=C(c1ccc(cc1)-c1ccccc1)c1cccc(Cn2ccnc2)c1
BDBM50216368 O=C(c1ccc(cc1)-c1ccccc1)c1ccccc1Cn1ccnc1
BDBM50216369 O=C(c1ccccc1)c1ccc(Cn2ccnc2)cc1
BDBM50216370 [O-][N+](=O)c1ccc(Cn2ccnc2)c(c1)C(=O)c1ccccc1
BDBM50216371 [O-][N+](=O)c1ccc(Cn2ccnc2)c(c1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50225900 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9|
BDBM50225913 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9|
BDBM50240347 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
BDBM50240798 C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r|
BDBM50240895 [O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1
BDBM50241148 [O-][N+](=O)c1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
BDBM50250977 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])cc1-[#8]
BDBM50250978 COc1cc(\C=C\C(=O)OC\C(C)=C\Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3O)c2O)ccc1O
BDBM50250979 C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
BDBM50250980 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
BDBM50251002 CC(C)(O)C1Cc2c(O1)ccc1C(=O)C[C@H](Oc21)c1ccc(O)cc1O |r|
BDBM50251003 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8]
BDBM50251004 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
BDBM50251005 Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r|
BDBM50251006 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8] |r|
BDBM50250510 [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
BDBM50251013 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
BDBM50251014 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])c1
BDBM50251015 CC1=C[C@H]2C3[C@H](C1)c1ccc(O)cc1O[C@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O |r,t:1|
BDBM50263368 Clc1ccc(CN(Cc2ccccc2)n2ccnc2)s1
BDBM50263717 C(N(Cc1ccc(cc1)-c1ccccc1)n1ccnc1)c1ccccc1
BDBM50263718 Cc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263719 Clc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263720 Fc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263721 Cc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50265438 COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1
BDBM50265439 [O-][N+](=O)c1ccc2n(Cc3ccccc3)c(C=O)c(Cn3ccnc3)c2c1
BDBM50265440 Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
BDBM50265441 COc1ccc(cc1)-c1cnnn1Cc1ccco1
BDBM50265442 c1ccc(cc1)-c1cc(nc(c1)-c1cccnc1)-c1cccnc1
BDBM50265443 COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3)c2c1
BDBM50263340 Clc1ccc(CN(CC\C=C\c2ccccc2)n2cncn2)c(Cl)c1
BDBM50263341 CC(C)(C)c1ccc(CN(CC\C=C\c2ccccc2)n2cncn2)cc1
BDBM50263461 Clc1ccc(CN(Cc2ccc(Cl)cc2Cl)n2ccnc2)s1
BDBM50263462 C(N(Cc1cccc2ccsc12)n1ccnc1)c1ccccc1
BDBM50263463 Clc1ccc(CN(Cc2cccc3ccsc23)n2ccnc2)c(Cl)c1
BDBM50263464 Clc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)s1
BDBM50263808 Fc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(F)c1
BDBM50263809 CC(C)(C)c1ccc(CN(Cc2ccc(Cl)cc2Cl)n2ccnc2)cc1
BDBM50263810 CC(C)(C)c1ccc(CN(Cc2cccs2)n2ccnc2)cc1
BDBM50263811 CC(C)(C)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263812 C(C(Cc1ccc(cc1)-c1ccccc1)n1ccnc1)c1ccccc1
BDBM50263921 COc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263922 COc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263923 Clc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(Cl)c1
BDBM50263924 Fc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(F)c1
BDBM50265461 COc1ccc2c(Cc3ccc(O)cc3)cncc2c1O
BDBM50265462 COc1ccc2c(Cc3cccc(c3)[N+]([O-])=O)cncc2c1O
BDBM50265463 [O-][N+](=O)c1ccc2n(CCc3ccncc3)c(nc2c1)-c1ccccn1
BDBM50265464 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)cc1)-c1cccnc1
BDBM50265465 COc1ccc(cc1)C(N=Nc1cnnc(Cl)c1Cl)c1ccccc1 |w:9.9|
BDBM50263342 CC(C)(C)c1ccc(CN(Cc2cccs2)n2cncn2)cc1
BDBM50263343 Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)s1
BDBM50265466 [O-][N+](=O)c1cccc(Cc2nncc3ccccc23)c1
BDBM50263664 CC(C)(C)c1ccc(CN(Cc2cccc3ccccc23)n2ccnc2)cc1
BDBM50263665 Clc1ccc(CN(Cc2cccc3ccccc23)n2ccnc2)c(Cl)c1
BDBM50263666 CC(C)(C)c1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263760 Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263761 Fc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263762 COc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263763 COc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263764 Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(Cl)c1
BDBM50263867 Cc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263868 Clc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263869 Fc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
BDBM50263870 Cc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50263871 Fc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
BDBM50265543 [O-][N+](=O)c1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
BDBM50263465 Clc1ccc(CC(Cc2ccccc2)n2ccnc2)s1
BDBM50265579 COc1ccc(cc1)-c1cc2c(O)cc(=O)oc2cc1SCc1ccncc1
BDBM50264032 C(CN(Cc1cccc2ccccc12)n1cncn1)\C=C\c1ccccc1
BDBM50241408 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
BDBM50241582 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50241453 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
BDBM50242349 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
BDBM50242016 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]
BDBM50242205 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
BDBM50262221 N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1cncn1
BDBM50245704 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50262164 N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1ccnc1
BDBM50262165 N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1cncn1
BDBM50262166 N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1ccnc1
BDBM50245647 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50245648 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(N=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50245649 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC#N)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50251012 COc1ccc(CCCc2ccc(O)cc2)c(O)c1
BDBM50253546 COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1
BDBM50253941 [O-][N+](=O)c1ccc(cc1)C(c1coc2ccccc2c1=O)n1ccnc1
BDBM50254015 COc1ccc(cc1)C(Cn1ccnc1)Sc1ccc(Cl)c(Cl)c1
BDBM50254016 Oc1cc2OCOc2cc1C(c1ccc2OCOc2c1)n1ccnc1
BDBM50254017 Oc1cc2OCOc2cc1C(c1ccc(F)cc1)n1ccnc1
BDBM50269224 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
BDBM50269516 O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r|
BDBM50291069 CC12CCC3C(Cc4c5c(nn4Cc4ccccc4)C(=O)CCC35C)C1CCC2=O
BDBM50291070 CC12CCC3C(Cc4c5c(nn4C\C=C\c4ccccc4)C(=O)CCC35C)C1CCC2=O
BDBM50291071 CC12CCC3C(Cc4[nH]nc5c4C3(C)CCC5=O)C1CCC2=O
BDBM50291072 CC12CCC3C(Cc4nn(Cc5ccc(cc5)[N+]([O-])=O)c5c4C3(C)CCC5=O)C1CCC2=O
BDBM50291073 CC12CCC3C(Cc4nn(C\C=C\c5ccccc5)c5c4C3(C)CCC5=O)C1CCC2=O
BDBM50291074 CC12CCC3C(Cc4c5c(nn4Cc4ccc(cc4)[N+]([O-])=O)C(=O)CCC35C)C1CCC2=O
BDBM50291075 CC12CCC3C(Cc4nn(Cc5ccccc5)c5c4C3(C)CCC5=O)C1CCC2=O
BDBM50273776 CN1C(=O)CCc2cc(ccc12)-c1cccnc1
BDBM50285626 C[C@]12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CC[C@]31C |t:24|
BDBM50285627 C[C@]12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CC[C@]31C |t:23|
BDBM50285628 C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)C=C[C@]31C)Sc1ccc(N)cc1 |c:19,t:15|
BDBM50285629 C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(N)cc1 |t:15|
BDBM50298230 C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@@H]1OC(=O)C[C@H]1O |r,wU:6.7,1.0,34.38,wD:39.45,30.33,7.8,(-4.23,-9.24,;-5.36,-8.2,;-6.87,-8.51,;-7.63,-7.18,;-9.16,-7.01,;-6.6,-6.04,;-5.18,-6.67,;-3.84,-5.9,;-2.51,-6.67,;-5.17,-5.14,;-5.18,-3.61,;-6.51,-2.84,;-3.86,-2.84,;-3.86,-1.29,;-5.19,-.52,;-2.52,-.52,;-1.19,-1.28,;-1.18,-2.82,;-2.52,-3.6,;-2.51,-5.13,;-2.52,1.02,;-3.85,1.78,;-5.18,1.01,;-3.85,3.32,;-2.52,4.1,;-2.52,5.64,;-1.19,3.32,;.14,4.09,;.14,5.63,;1.47,3.31,;1.46,1.77,;1.45,.23,;.12,1.01,;-1.2,1.78,;2.79,2.54,;4.19,1.91,;5.22,3.05,;6.75,2.89,;4.45,4.38,;2.95,4.06,;1.81,5.09,)|
BDBM50298231 C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@@H]1OC(=O)C[C@H]1O |r,wU:1.0,6.7,34.38,wD:7.8,26.29,39.45,(12.51,.38,;13.97,.87,;14.44,2.34,;15.98,2.35,;16.88,3.6,;16.47,.88,;15.22,-.03,;15.23,-1.57,;13.91,-2.35,;16.56,-.79,;17.89,-1.57,;19.23,-.81,;17.89,-3.11,;19.21,-3.88,;20.55,-3.12,;19.2,-5.42,;17.86,-6.18,;16.55,-5.4,;16.56,-3.87,;15.23,-3.11,;20.53,-6.2,;20.51,-7.74,;19.16,-8.5,;21.83,-8.52,;23.17,-7.76,;24.49,-8.54,;25.82,-7.79,;25.81,-9.34,;25.84,-6.26,;24.52,-5.47,;24.54,-3.93,;23.19,-6.23,;21.86,-5.44,;21.88,-3.89,;27.15,-7.03,;28.56,-7.65,;29.59,-6.51,;31.12,-6.67,;28.82,-5.17,;27.31,-5.49,;26.17,-4.46,)|
BDBM50298485 C[C@@H]1[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2C2(C)CCC(=O)C=C1O2 |r,t:21|
BDBM50298486 Cc1nc-2c(cc1C#N)C(Nc1ccc(Cl)cc1)Oc1ccc(cc-21)[N+]([O-])=O
BDBM50298487 CCC(\C(CC)=C1/SC(=O)C=C1)c1ccc(OC(C)=O)cc1 |c:10|
BDBM50298488 CC1C(O)CC23COC(=O)C2=CCCC3C1(C)CCC1=CC(=O)OC1 |c:11,t:22|
BDBM50298489 CCCC(=O)Oc1cc(OC(=O)CCC)c2c(C)cc(=O)oc2c1
BDBM50298490 CC1C2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:21|
BDBM50311658 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1CCC2=O |r|
BDBM50311659 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Br)cc34)[C@@H]1CCC2=O |r|
BDBM50311536 O[C@@H](COC(=O)C(Cc1ccc(O)cc1)N=O)[C@H](O)COC(=O)C(Cc1ccc(O)cc1)N=O |r|
BDBM50307881 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)c(Cl)c1
BDBM50307882 NS(=O)(=O)Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307883 CN(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307884 NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307885 NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N
BDBM50307886 NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307887 CN(C)S(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307889 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)cc1
BDBM50307890 NS(=O)(=O)Oc1ccc(cc1)-c1ccc(Cn2cncn2)cc1C#N
BDBM50307891 NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(Cn2cncn2)cc1C#N
BDBM50307892 NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(C#N)c(Cn2cncn2)c1
BDBM50307893 NS(=O)(=O)Oc1ccc(cc1Cl)-c1cccc(Cn2cncn2)c1
BDBM50307894 NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307895 NS(=O)(=O)Oc1ccc(cc1)-c1ccc(C#N)c(Cn2cncn2)c1
BDBM50307896 NS(=O)(=O)Oc1ccc(cc1)-c1cccc(Cn2cncn2)c1
BDBM50307897 NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307900 Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307901 Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307902 Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307903 Oc1cccc(c1)-c1ccc(C#N)c(Cn2cncn2)c1
BDBM50307904 Oc1ccc(cc1Cl)-c1ccc(C#N)c(Cn2cncn2)c1
BDBM50307906 Fc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307907 N#Cc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307908 Oc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307909 Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)cc(c1)C#N
BDBM50307910 C(c1cccc(c1)-c1ccccc1)n1cncn1
BDBM50307911 N#Cc1cc(Cn2cncn2)ccc1-c1ccccc1
BDBM50307919 Clc1cccc(c1)-c1cc(Cn2cncn2)ccc1C#N
BDBM50307912 Oc1ccc(cc1)-c1ccc(Cn2cncn2)cc1C#N
BDBM50307913 Oc1ccc(cc1Cl)-c1ccc(Cn2cncn2)cc1C#N
BDBM50307915 Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N
BDBM50307916 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccccc1
BDBM50307917 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)cc1
BDBM50307918 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)c(Cl)c1
BDBM50307899 N#Cc1ccc(Cn2cncn2)cc1-c1ccccc1
BDBM50307905 N#Cc1cc(Cn2cncn2)cc(c1)-c1ccccc1
BDBM50307914 N#Cc1ccc(Cn2cncn2)c(c1)-c1ccccc1
BDBM50318389 COc1ccc2C(=O)C(CC3=CC=NCC3)=C(N)c2c1 |c:12,t:10,16|
BDBM50318392 CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,c:5,t:1|
BDBM50318394 CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1|
BDBM50318395 CC1=CC[C@H]2CCC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,t:1|
BDBM50318411 C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3CC=C(C)[C@@H]3[C@H]2OC1=O |r,t:10|
BDBM50318620 C(c1ccccc1Oc1ccccc1)n1ccnc1
BDBM50322052 COc1cc(\C=C\c2cccc(N)c2)cc(OC)c1OC
BDBM50322053 COc1ccc(\C=C\c2ccc(N)cc2)c(OC)c1OC
BDBM50322054 COc1cc(OC)c(OC)c(\C=C\c2ccc(N)cc2)c1
BDBM50322066 Nc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM50322067 Nc1ccc(cc1)C(=O)Cn1ccnc1
BDBM50322061 COc1cc(CCc2ccc(N)cc2)cc(OC)c1OC
BDBM50322047 COc1ccc(\C=C\c2ccc(N)cc2)c(OC)c1
BDBM50322048 COc1ccc(\C=C\c2cccc(N)c2)c(OC)c1
BDBM50322049 COc1ccc(OC)c(\C=C\c2ccc(N)cc2)c1
BDBM50322050 COc1cccc(\C=C\c2ccc(N)cc2)c1OC
BDBM50322051 COc1ccc(\C=C\c2ccc(N)cc2)cc1OC
BDBM50322055 Nc1cccc(\C=C\c2ccc3OCOc3c2)c1
BDBM50322056 Nc1ccc(\C=C\c2ccc3OCOc3c2)cc1
BDBM50322057 [O-][N+](=O)c1ccc(\C=C\c2cccc(c2)[N+]([O-])=O)cc1
BDBM50322058 COc1cccc(\C=C\c2ccc(N)cc2)c1
BDBM50322059 COc1cc(CCc2ccc(N)cc2)cc(OC)c1
BDBM50322060 COc1ccc(CCc2ccc(N)cc2)cc1OC
BDBM50322062 Nc1ccc(CCc2cccc(N)c2)cc1
BDBM50322044 COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1
BDBM50322045 COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(N)cc2)c1
BDBM50322046 COc1cc(\C=C\c2ccc(N)cc2)cc(OC)c1OC
BDBM50322063 Nc1ccc(\C=C\c2cccc(N)c2)cc1
BDBM50322064 Nc1ccc(\C=C\c2cc(N)cc(N)c2)cc1
BDBM50322065 CC(=O)Oc1cc(OC(C)=O)cc(\C=C\c2ccc(N)cc2)c1
BDBM50318396 COc1ccc(cc1OC)C1=C(COC1=O)c1cc(OC)c(OC)c(OC)c1 |t:11|
BDBM50318397 COc1cc(cc(C=O)c1C(=O)c1c(C)cccc1O)C(=O)N(C)C
BDBM50318398 Oc1cccc(C[C@@H]2[C@@H](Cc3ccccc3)COC2=O)c1 |r|
BDBM50318615 [O-][N+](=O)c1ccc(Cn2ccnc2)c2sc3ccccc3c(=O)c12
BDBM50318616 O=c1c2ccccc2oc2c(Cn3ccnc3)cccc12
BDBM50318617 [O-][N+](=O)c1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1
BDBM50318618 [O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ncccc3c(=O)c12
BDBM50318619 O=c1c2ccccc2oc2cccc(Cn3ccnc3)c12
BDBM50318399 Cn1c2ccc(cc2sc1=O)C(c1ccccc1)n1ccnc1
BDBM50318400 Oc1cccc2ccc3c(oc(cc3=O)-c3ccccc3)c12
BDBM50318401 CCn1c(C)c(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
BDBM50318402 FC(F)(F)Oc1ccc(cc1)C1\C(=C\c2cccnc2)C(=O)c2cccn12
BDBM50318403 Fc1ccc(cc1)-n1cc(Cn2ccnc2)c2ccccc12
BDBM50318404 CCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc12
BDBM50318405 Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1cccnc1
BDBM50318406 Fc1ccc2ccc(Cn3ccnc3)cc2c1
BDBM50318407 [O-][N+](=O)c1ccc(CCn2ccnc2)cc1
BDBM50318408 CC(C)\C=C\Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
BDBM50318409 O=C1C(C(Oc2cc(Oc3ccccc3)ccc12)SCc1cccnc1)c1ccccc1
BDBM50318410 COc1ccc(cc1OC)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:11|
BDBM50318621 [O-][N+](=O)c1ccc2c(oc3ccccc3c2=O)c1Cn1ccnc1
BDBM50318622 O=c1c2ccccc2oc2ccc(Cn3ccnc3)cc12
BDBM50318612 O=c1c2ccccc2sc2c(Cn3ccnc3)cccc12
BDBM50318613 [O-][N+](=O)c1ccc(Cn2ccnc2)c(Sc2ccccc2)c1
BDBM50318614 [O-][N+](=O)c1ccc(Cn2ccnc2)c(Oc2ccccc2)c1
BDBM50318390 COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:9|
BDBM50318391 Clc1ccc(cc1)C(c1cc2ccccc2o1)n1ccnc1
BDBM50318393 Cc1cccc(O)c1C(=O)c1c(O)cc(cc1C=O)C(O)=O
BDBM50322783 Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
BDBM50322784 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1
BDBM50322785 Nc1ccc(cc1N)-c1ccc(Cc2ccncc2)cc1
BDBM50322786 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1
BDBM50322787 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1
BDBM50322789 Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
BDBM50322790 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1
BDBM50322791 Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
BDBM50322792 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1
BDBM50322793 Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1
BDBM50322794 [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1
BDBM50324611 OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1
BDBM50324612 Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
BDBM50339657 Oc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
BDBM50339640 Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339641 Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339642 COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339643 FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339644 Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339645 Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
BDBM50339646 Fc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339647 Clc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339648 COc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339649 Cc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339650 Clc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339651 O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(cc3)C#N)cc2o1
BDBM50339652 CC(=O)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339653 CN(C)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50339654 Fc1cc(F)cc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339655 Fc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
BDBM50339656 O=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1
BDBM50339658 COc1ccc2c(cc(=O)oc2c1)C(c1ccccc1)n1ccnc1
BDBM50339659 O=c1cc(C(c2ccccc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1
BDBM50339660 Fc1ccc(Oc2ccc3c(cc(=O)oc3c2)C(c2ccccc2)n2ccnc2)cc1F
BDBM50339661 Clc1ccc(cc1)C(c1cc(=O)oc2cc(Oc3ccccc3)ccc12)n1ccnc1
BDBM50339662 O=c1cc(C(c2ccc(cc2)C#N)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1
BDBM50339663 O=c1oc2cc(Oc3ccccc3)ccc2cc1C(c1ccccc1)n1ccnc1
BDBM50339664 Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339665 Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339666 Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339667 FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339668 FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339669 [O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50339147 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
BDBM50339148 OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@H]2OCCc2ccc(O)c(O)c2)[C@@H]1O |r|
BDBM50339149 OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O |r|
BDBM50337117 NS(=O)(=O)Oc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccccc1)n1cnnc1
BDBM50337118 NS(=O)(=O)Oc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(Br)cc1)n1cnnc1
BDBM50337119 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1
BDBM50337120 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1F
BDBM50337121 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Cl
BDBM50337122 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Br
BDBM50337123 COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1
BDBM50337124 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(F)cc2)n2cnnc2)cc1
BDBM50337125 NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM50335360 C(c1ccc(nc1)-c1ccccc1)n1ccnc1
BDBM50171346 COc1c(C)cc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50332833 C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
BDBM50332805 C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r|
BDBM50332806 C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
BDBM50332808 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:8|
BDBM50332809 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
BDBM50332810 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
BDBM50332811 CCCC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:6|
BDBM50332812 CCCCCC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:8|
BDBM50332813 C[C@]12CC[C@H]3[C@@H](CCC4=C(CCC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CCC2=O |r,t:8|
BDBM50332814 CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:4|
BDBM50332815 CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(CO)CCC1 |r,c:4|
BDBM50332816 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:9|
BDBM50332817 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:9|
BDBM50332818 C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
BDBM50332819 CC(=O)OC1CCC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:24|
BDBM50332820 CC(=O)OC1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:24|
BDBM50332821 CC(=O)OC1CCC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:25|
BDBM50332822 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
BDBM50332823 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
BDBM50332824 C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
BDBM50332825 CO[C@H]1CCC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:23|
BDBM50332826 C[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:21|
BDBM50332827 CC[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:22|
BDBM50332828 CCC[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:23|
BDBM50332829 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)CCC[C@]34C)[C@@H]1CCC2=O |r|
BDBM50332830 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |r|
BDBM50332831 C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC(=O)O2 |r|
BDBM50335899 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 |r|
BDBM50335900 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(O)c(OC)cc3[C@H]2O1 |r|
BDBM50335901 CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(OC)c(O)c2C(=O)O1 |r|
BDBM50335902 CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(O)c(O)c2C(=O)O1 |r|
BDBM50335903 CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O |r|
BDBM50335904 CCCC(=O)CC[C@H]1OC(=O)c2c1cc(OC)c(OC)c2O |r|
BDBM50332803 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CCC2=O |r,c:9|
BDBM50332804 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CC[C@@H]2O |r,c:9|
BDBM50332807 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8|
BDBM50332832 C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
BDBM50351855 N#Cc1ccc(Cn2ccnn2)cc1
BDBM50351856 N#Cc1ccc(Cn2nccn2)cc1
BDBM50351857 C(c1ccccc1)n1ccnn1
BDBM50351858 C(c1ccccc1)n1nccn1
BDBM50351859 N#Cc1ccc(Cn2cncn2)cc1
BDBM50351860 C(c1ccccc1)n1cncn1
BDBM50351861 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1nccn1
BDBM50351862 c1cnn(n1)C(c1ccccc1)c1ccccc1
BDBM50351863 c1ncn(n1)C(c1ccccc1)c1ccccc1
BDBM50351864 CCCc1cn(Cc2ccc(cc2)C#N)nn1
BDBM50351865 CCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
BDBM50351866 CCCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
BDBM50351867 CCCCCCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
BDBM50351868 N#Cc1ccc(Cn2cc(nn2)C2CCCCC2)cc1
BDBM50351869 N#Cc1ccc(Cn2cc(nn2)-c2ccccc2)cc1
BDBM50351870 N#Cc1ccc(Cn2cc(COc3ccccc3)nn2)cc1
BDBM50351871 Clc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
BDBM50351872 N#Cc1ccc(Cn2cc(COc3ccc(cc3)C#N)nn2)cc1
BDBM50351873 [O-][N+](=O)c1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
BDBM50351874 Cc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
BDBM50351875 COc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
BDBM50351876 N#Cc1ccc(Cn2cc(COc3ccc(cc3)-c3ccccc3)nn2)cc1
BDBM50351877 CCCc1cn(Cc2ccccc2)nn1
BDBM50351878 CCCCCCc1cn(Cc2ccccc2)nn1
BDBM50351827 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnn1
BDBM50351828 CCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
BDBM50351829 CCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
BDBM50351830 CCCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
BDBM50351831 CCCCCCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
BDBM50351832 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(nn1)C1CCCCC1
BDBM50351833 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(nn1)-c1ccccc1
BDBM50351834 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(COc2ccccc2)nn1
BDBM50351835 Clc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
BDBM50351836 N#Cc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
BDBM50351837 [O-][N+](=O)c1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
BDBM50351838 Cc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
BDBM50351839 COc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
BDBM50351840 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(COc2ccc(cc2)-c2ccccc2)nn1
BDBM50351879 CCCCCCCc1cn(Cc2ccccc2)nn1
BDBM50351880 CCCCCCCCCCc1cn(Cc2ccccc2)nn1
BDBM50351881 C(c1ccccc1)n1cc(nn1)C1CCCCC1
BDBM50351841 c1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351842 CCCc1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351843 CCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351844 CCCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351845 CCCCCCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351846 C1CCC(CC1)c1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351847 c1c(nnn1C(c1ccccc1)c1ccccc1)-c1ccccc1
BDBM50351848 C(Oc1ccccc1)c1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351849 Clc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
BDBM50351850 N#Cc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
BDBM50351851 [O-][N+](=O)c1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
BDBM50351852 Cc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
BDBM50351853 COc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
BDBM50351854 C(Oc1ccc(cc1)-c1ccccc1)c1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM50351882 C(c1ccccc1)n1cc(nn1)-c1ccccc1
BDBM50351883 C(Oc1ccccc1)c1cn(Cc2ccccc2)nn1
BDBM50351884 Clc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
BDBM50351885 N#Cc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
BDBM50351886 [O-][N+](=O)c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
BDBM50351887 Cc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
BDBM50351888 COc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
BDBM50351889 C(Oc1ccc(cc1)-c1ccccc1)c1cn(Cc2ccccc2)nn1
BDBM50345662 Cc1ccc(cn1)C(=O)NCCCn1ccnc1
BDBM50345663 CCOc1ccc(c2ccccc12)S(=O)(=O)NCCCn1ccnc1
BDBM50345644 Clc1ccc(C(=O)C(=Cc2ccccc2)n2cncn2)c(Cl)c1 |w:8.8|
BDBM50345645 COc1ccc(cc1)C(=O)OC(COc1ccccc1)Cn1ccnc1
BDBM50345646 O=S(=O)(NCCCn1ccnc1)c1ccc2OCCOc2c1
BDBM50345647 OC(COc1ccc2c3CCCc3c(=O)oc2c1)Cn1cncn1
BDBM50345648 COc1cc(CC(=O)N2CCOC(Cn3ccnc3)C2)cc(OC)c1OC
BDBM50345649 COc1ccc2C(=O)CC3(CCN(CC3)C(=O)Cn3cncn3)Oc2c1
BDBM50345650 O=C(Cn1cncn1)NC(CCc1ccccc1)c1ccc2OCCOc2c1
BDBM50345651 CCc1[nH]c2ccc(cc2c1C)C(=O)NCC(C)n1cncn1
BDBM50345652 CC(CNC(=O)c1cc2CCCCCc2[nH]c1=O)n1cncn1
BDBM50345653 Cc1ncc(CNc2ccc(OCC(O)Cn3ccnc3)cc2)cn1
BDBM50345654 O=C(CCn1ccnc1)NC[C@H]1CC[C@@H](CC1)c1ncncc1-c1ccccn1 |r,wU:11.11,wD:14.18,(3.26,3.98,;3.26,2.44,;4.59,1.67,;5.93,2.44,;7.26,1.67,;8.66,2.3,;9.69,1.16,;8.92,-.18,;7.41,.15,;1.93,1.67,;.59,2.44,;-.74,1.67,;-.74,.13,;-2.07,-.64,;-3.41,.13,;-3.41,1.67,;-2.08,2.44,;-4.74,-.65,;-6.08,.12,;-7.41,-.65,;-7.41,-2.2,;-6.07,-2.97,;-4.74,-2.2,;-3.41,-2.96,;-2.08,-2.19,;-.75,-2.95,;-.74,-4.5,;-2.08,-5.27,;-3.41,-4.51,)|
BDBM50345655 Fc1ccc(Oc2ccccc2NC(=O)Cn2ccnc2)cc1
BDBM50345656 COc1ccc(cc1F)C(C)NC(=O)c1ccccc1Cn1cncn1
BDBM50345657 COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50345658 COc1cc2OCCCOc2cc1-c1cncn1CCCn1ccnc1C
BDBM50345659 COc1ccc(cc1)S(=O)(=O)N1CCOC(Cn2ccnc2)C1
BDBM50345660 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCOC(Cn2ccnc2)C1
BDBM50345661 Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCn1ccnc1
BDBM50345664 Cc1cc(C)c(cc1C)S(=O)(=O)NCCCn1ccnc1
BDBM50345665 COc1ccc(cc1C)S(=O)(=O)NCCCn1ccnc1
BDBM50345666 COc1cc(Cl)c(cc1Cl)S(=O)(=O)NCCCn1ccnc1
BDBM50345667 COc1ccc(cc1C(C)(C)C)S(=O)(=O)NCCCn1ccnc1
BDBM50345668 CS(=O)(=O)N(CC=C)c1ccc(cc1)C(=O)NCCCn1ccnc1
BDBM50345669 COc1ccc(cc1F)S(=O)(=O)NCCCn1ccnc1
BDBM50345670 CC(C)(C(=O)Nc1ccccc1Oc1ccc(F)cc1)n1cncn1
BDBM50345671 Fc1ccc(CC(=O)N2CCOC(Cn3ccnc3)C2)cc1
BDBM50345672 O=C(Cc1ccc2OCOc2c1)N1CCOC(Cn2ccnc2)C1
BDBM50345673 CC1(C)Oc2ccc(cc2NC1=O)S(=O)(=O)NCCCn1ccnc1
BDBM50345186 O=C1CC(Oc2c1ccc1ccccc21)c1ccccc1
BDBM50345187 O=C1CC(Oc2c1ccc1ccccc21)c1ccc(cc1)C#N
BDBM50345188 Oc1ccc(cc1)C1CC(=O)c2ccc3ccccc3c2O1
BDBM50345189 C1C(Oc2c(ccc3ccccc23)C1n1ccnc1)c1ccccc1
BDBM50345190 N#Cc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
BDBM50345191 Oc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
BDBM50357539 COC(=O)[C@@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r|
BDBM50357540 COC(=O)[C@@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r|
BDBM50357541 COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r|
BDBM50357542 COC(=O)[C@H]1Cc2c(CN1S(C)(=O)=O)[nH]c1ccccc21 |r|
BDBM50357543 COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21 |r|
BDBM50357544 COC(=O)[C@@H]1Cc2c(CN1C(=O)NC(C)C)[nH]c1ccccc21 |r|
BDBM50357546 COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
BDBM50357547 OC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
BDBM50357545 CC(C)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(O)=O |r|
BDBM50360378 COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
BDBM50360379 O=C(C(Cn1ccnn1)c1ccccc1)c1ccccc1
BDBM50360380 O=C(O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1)c1ccccc1 |r|
BDBM50360381 CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
BDBM50360382 COCO[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
BDBM50360383 O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
BDBM50360384 CC(=O)O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
BDBM50361949 Brc1ccccc1-c1nsc(n1)-c1ccccc1Br
BDBM50361950 Clc1ccccc1-c1nsc(n1)-c1ccccc1Cl
BDBM50361953 Ic1ccc(cc1)-c1nsc(n1)-c1ccc(I)cc1
BDBM50361954 Ic1cccc(c1)-c1nsc(n1)-c1cccc(I)c1
BDBM50361955 Fc1cccc(c1)-c1nsc(n1)-c1cccc(F)c1
BDBM50361956 Fc1ccccc1-c1nsc(n1)-c1ccccc1F
BDBM50361957 Brc1cccc(c1)-c1nsc(n1)-c1cccc(Br)c1
BDBM50361960 Cc1cccc(c1)-c1nsc(n1)-c1cccc(C)c1
BDBM50361965 Cc1ccc(cc1)-c1nsc(n1)-c1ccc(C)cc1
BDBM50361970 Ic1ccccc1-c1nsc(n1)-c1ccccc1I
BDBM50361977 Oc1ccc(cc1)-c1nsc(n1)-c1ccc(O)cc1
BDBM50361978 Nc1ccc(cc1)-c1nsc(n1)-c1ccc(N)cc1
BDBM50361942 c1ccc(cc1)-c1nsc(n1)-c1ccccc1
BDBM50361943 c1cncc(c1)-c1nsc(n1)-c1cccnc1
BDBM50361944 c1cc(ccn1)-c1nsc(n1)-c1ccncc1
BDBM50361945 Clc1ccc(cc1)-c1nsc(n1)-c1ccc(Cl)cc1
BDBM50361946 Fc1ccc(cc1)-c1nsc(n1)-c1ccc(F)cc1
BDBM50361947 Brc1ccc(cc1)-c1nsc(n1)-c1ccc(Br)cc1
BDBM50361948 COc1ccc(cc1)-c1nsc(n1)-c1ccc(OC)cc1
BDBM50361951 FC(F)(F)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C(F)(F)F
BDBM50361952 CC(C)(C)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C(C)(C)C
BDBM50361958 Clc1cccc(-c2nsc(n2)-c2cccc(Cl)c2Cl)c1Cl
BDBM50361959 Cc1cc(Cl)ccc1-c1nsc(n1)-c1ccc(Cl)cc1C
BDBM50361961 FC(F)(F)c1ccccc1-c1nsc(n1)-c1ccccc1C(F)(F)F
BDBM50361962 Clc1ccc(Cl)c(c1)-c1nsc(n1)-c1cc(Cl)ccc1Cl
BDBM50361963 Clc1ccc(cc1Cl)-c1nsc(n1)-c1ccc(Cl)c(Cl)c1
BDBM50361964 Cc1c(Cl)cccc1-c1nsc(n1)-c1cccc(Cl)c1C
BDBM50361966 c1ccc2cc(ccc2c1)-c1nsc(n1)-c1ccc2ccccc2c1
BDBM50361967 CCCCc1ccc(cc1)-c1nsc(n1)-c1ccc(CCCC)cc1
BDBM50361968 Cc1ccc(Cl)cc1-c1nsc(n1)-c1cc(Cl)ccc1C
BDBM50361969 Cc1cc(Br)ccc1-c1nsc(n1)-c1ccc(Br)cc1C
BDBM50361971 Cc1ccc(-c2nsc(n2)-c2ccc(C)cc2Br)c(Br)c1
BDBM50361972 Clc1ccc(-c2nsc(n2)-c2ccc(Cl)cc2Cl)c(Cl)c1
BDBM50361973 [O-][N+](=O)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50361974 N#Cc1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C#N
BDBM50361975 N#Cc1cccc(c1)-c1nsc(n1)-c1cccc(c1)C#N
BDBM50361976 COc1cccc(c1)-c1nsc(n1)-c1cccc(OC)c1
BDBM50374256 Oc1cccc(c1)C1CC(=O)c2ccc(O)cc2O1
BDBM50374257 COc1ccc2C(=O)CC(Oc2c1)c1ccc(O)cc1
BDBM50374258 COc1ccc2C(=O)CC(Oc2c1)c1cccc(O)c1
BDBM50374126 CN(c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374127 CN(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374128 CN(c1ccc(NC(=O)c2ccc(cc2)C#N)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374129 CN(c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374130 CN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374131 CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374132 CN(c1ccc(NC(=O)c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374133 CN(c1ccc(NC(C)=O)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374134 CN(c1ccc(N)cc1OCc1ccccc1)S(C)(=O)=O
BDBM50374135 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374136 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374137 [O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)c(OCc2ccccc2)c1
BDBM50374138 [O-][N+](=O)c1ccc(NC(=O)c2ccc3ccccc3c2)c(OCc2ccccc2)c1
BDBM50374139 [O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)C#N)c(OCc2ccccc2)c1
BDBM50374140 [O-][N+](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OCc2ccccc2)c1
BDBM50374141 [O-][N+](=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(OCc2ccccc2)c1
BDBM50374142 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374143 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374144 CC(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374145 [O-][N+](=O)c1ccc(NC(=O)C2CCCCC2)c(OCc2ccccc2)c1
BDBM50374146 [O-][N+](=O)c1ccc(NC(=O)c2ccccc2)c(OCc2ccccc2)c1
BDBM50374147 CN(c1ccc(cc1OCc1cccc2ccccc12)[N+]([O-])=O)S(C)(=O)=O
BDBM50374148 CS(=O)(=O)Nc1ccc(cc1OCc1cccc2ccccc12)[N+]([O-])=O
BDBM50374149 CN(c1ccc(cc1OCCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50374150 CS(=O)(=O)Nc1ccc(cc1OCCc1ccccc1)[N+]([O-])=O
BDBM50374151 CN(c1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50374152 CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O
BDBM50374153 CN(c1ccc(cc1OCc1ccc(Br)cc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50374154 CS(=O)(=O)Nc1ccc(cc1OCc1ccc(Br)cc1)[N+]([O-])=O
BDBM50374155 CN(c1ccc(cc1OCc1ccc(Cl)cc1)[N+]([O-])=O)S(C)(=O)=O
BDBM50374156 CS(=O)(=O)Nc1ccc(cc1OCc1ccc(Cl)cc1)[N+]([O-])=O
BDBM50374157 CS(=O)(=O)Nc1ccc(cc1OCc1ccc(F)cc1)[N+]([O-])=O
BDBM50374158 CC(C)c1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
BDBM50374159 COc1ccc(COc2cc(ccc2N(C)S(C)(=O)=O)[N+]([O-])=O)cc1
BDBM50374160 COc1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
BDBM50374161 Cc1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
BDBM50374162 CS(=O)(=O)Nc1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O
BDBM50374163 CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
BDBM50374164 Cc1ccc(C)c(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1
BDBM50374165 CS(=O)(=O)Nc1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O
BDBM50374166 CS(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
BDBM50374254 Oc1cccc(c1)C1CC(=O)c2ccc3ccccc3c2O1
BDBM50374255 O=C1CC(Oc2c1ccc1ccccc21)c1cccc(c1)C#N
BDBM50376223 COc1ccc2C3C(CCc2c1)C3c1cnc[nH]1 |w:6.5|
BDBM50370985 [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccccc2-[#8]-1
BDBM50366129 Cc1cnccc1-c1nc(cs1)-c1cccnc1
BDBM50366130 Brc1ccc(cn1)-c1csc(n1)-c1ccncc1
BDBM50366131 Brc1ccc(cn1)-c1csc(n1)-c1cccnc1
BDBM50366132 COc1ccc(cn1)-c1csc(n1)-c1ccncc1
BDBM50366133 CCOc1ccc(cn1)-c1csc(n1)-c1ccncc1
BDBM50366134 COc1ccc(cn1)-c1csc(n1)-c1cccnc1
BDBM50365726 N#Cc1ccc(Oc2cccnc2)cc1C#N
BDBM50365727 N#Cc1ccc(Oc2cccnc2)cc1NCc1ccccc1
BDBM50365728 N#Cc1ccc(Oc2cccnc2)cc1Oc1cccnc1
BDBM50365729 Clc1cccc(Oc2cc(ccc2Oc2cccnc2)C#N)c1
BDBM50365730 N#Cc1ccc(cc1)-n1ccc2ccncc12
BDBM50365731 Clc1ccc(cc1)-n1ccc2ccncc12
BDBM50365732 Cc1cc(ccc1Cl)-n1ccc2ccncc12
BDBM50365733 N#Cc1ccc(cc1Oc1ccccc1)-n1ccc2ccncc12
BDBM50365734 N#Cc1ccc(Oc2cccnc2)cc1
BDBM50366118 Brc1cccc(c1)-c1nc(ns1)-c1cccnc1
BDBM50366119 COc1cccc(c1)-c1nc(ns1)-c1cccnc1
BDBM50366120 c1sc(nc1-c1cccnc1)-c1ccccc1
BDBM50366121 Fc1ccc(cc1)-c1nc(cs1)-c1cccnc1
BDBM50366122 Clc1ccc(cc1)-c1nc(cs1)-c1cccnc1
BDBM50366123 Brc1ccc(cc1)-c1nc(cs1)-c1cccnc1
BDBM50366124 COc1ccc(cc1)-c1nc(cs1)-c1cccnc1
BDBM50366125 c1sc(nc1-c1cccnc1)-c1ccncc1
BDBM50366126 Oc1ccc(cc1)-c1nc(cs1)-c1cccnc1
BDBM50366127 Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1
BDBM50366128 COc1cc(ccn1)-c1nc(cs1)-c1cccnc1
BDBM50378780 Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1 |r|
BDBM50380161 OC1Oc2ccccc2C(=O)C1c1ccccc1
BDBM50380162 O=C1C(COc2ccccc12)c1ccccc1
BDBM50380163 Cc1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380164 Cc1ccc2C(=O)C(COc2c1)c1ccccc1
BDBM50380165 Cc1cccc(c1)C1COc2ccccc2C1=O
BDBM50380166 Cc1ccc(cc1)C1COc2ccccc2C1=O
BDBM50380160 COc1cc(OC)cc(c1)C1COc2ccccc2C1=O
BDBM50380169 COc1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380170 COc1ccccc1C1COc2ccccc2C1=O
BDBM50380171 COc1cccc(c1)C1COc2ccccc2C1=O
BDBM50380172 COc1ccc(cc1)C1COc2ccccc2C1=O
BDBM50380173 O=C1C(COc2ccccc12)c1ccsc1
BDBM50380174 O=C1C(COc2ccccc12)c1cccnc1
BDBM50380167 O=C1C(COc2ccc3ccccc3c12)c1ccccc1
BDBM50380168 O=C1C(COc2ccccc12)c1ccc(Oc2ccccc2)cc1
BDBM50380175 Fc1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380176 Clc1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380177 Brc1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380178 CC(C)(C)c1ccc2OCC(C(=O)c2c1)c1ccccc1
BDBM50380179 COc1ccc2C(=O)C(COc2c1)c1ccccc1
BDBM50380180 Oc1ccc(cc1)C1COc2ccccc2C1=O
BDBM50368172 Cc1ccc(cc1)C1CCCc2cncn12
BDBM50368173 Brc1ccc(cc1)C1CCCc2cncn12
BDBM50368174 N#Cc1ccc(cc1)C1CCc2cncn12
BDBM50369009 Cc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
BDBM50368175 CCOC(=O)c1ccc(cc1)C1CCCc2cncn12
BDBM50367848 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2 |r,c:12,t:8|
BDBM50398447 C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:13,t:9|
BDBM50398448 C[C@]12CC[C@H]3[C@@H](C[C@@H](OCC#CCO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:18,t:14|
BDBM50398449 CCCCCCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:28,t:32|
BDBM50398450 CCCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:25,t:29|
BDBM50398451 CCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:24,t:28|
BDBM50398452 CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:23,t:27|
BDBM50398453 CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:22,t:26|
BDBM50398454 CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:20,t:24|
BDBM50398455 CO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:19,t:23|
BDBM50388395 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1CCC2=O |r|
BDBM50388396 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:8|
BDBM50388394 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10|
BDBM50388393 C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O |r|
BDBM50395455 O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
BDBM50395460 CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
BDBM50395447 C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
BDBM50395604 O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
BDBM50395605 O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
BDBM50395606 O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
BDBM50395608 CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
BDBM50395609 O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
BDBM50395610 CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
BDBM50395611 O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
BDBM50395612 CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
BDBM50395446 COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
BDBM50395607 Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
BDBM50395613 CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
BDBM50395614 COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
BDBM50395615 COc1cc2NC(=O)CCc2cc1-c1cccnc1
BDBM50395616 Oc1cc2NC(=O)CCc2cc1-c1cccnc1
BDBM50407396 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccncc1 |c:21,t:7|
BDBM50407397 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccn1 |c:21,t:7|
BDBM50406684 CCCCCCCC[C@H]1C[C@](CC)(C(=O)NC1=O)c1ccncc1
BDBM50406522 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CO3)[C@@H]1CCC2=O |t:8|
BDBM50406523 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CS3)[C@@H]1CCC2=O |t:8|
BDBM50406524 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CO3)[C@@H]1CCC2=O |t:8|
BDBM50406525 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CS3)[C@@H]1CCC2=O |t:8|
BDBM50406551 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C(F)F)[C@@H]1CC[C@@H]2O |t:8|
BDBM50406639 CC[C@@]1(CCC(=O)NC1=O)c1ccc(N)cc1 |r|
BDBM50406640 CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1
BDBM50409041 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7|
BDBM50406730 C[C@]12CC[C@H]3[C@@H](CCC4=C(SCC#N)C(=O)CC[C@]34C)[C@@H]1CCC2=O |c:8|
BDBM50406731 C[C@]12CC[C@H]3[C@@H](CCC4=C(SC(F)F)C(=O)CC[C@]34C)[C@@H]1CCC2=O |c:8|
BDBM50405683 CCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
BDBM50405353 CC12CCC3C(CCC4=C(Sc5ccc(N)cc5)C(=O)CCC34C)C1CCC2=O |c:8|
BDBM50405354 CCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:3|
BDBM50405355 CC(=O)SC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
BDBM50405356 CCCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
BDBM50402768 COc1cccc(c1)-c1csc(n1)-c1cccc(OC)c1
BDBM50402769 COc1cccc(c1)-c1csc(n1)-c1ccccc1
BDBM50402770 COc1cccc(c1)-c1nc(cs1)-c1ccccc1
BDBM50425445 O=C1CCc2cc(Cc3ccncc3)cc3CCN1c23
BDBM50425454 O=C1CCc2cc(Cc3cccnc3)cc3CCN1c23
BDBM50425444 C=C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425446 OC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425447 Fc1ccc(cc1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425448 Clc1cccc(c1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425449 Cc1cccc(c1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425450 COc1ccccc1C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425451 O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1cccnc1
BDBM50425452 CC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425453 C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425455 OC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425456 COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425457 COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425458 COc1ccccc1C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425459 O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1ccncc1
BDBM50425460 OC(c1ccccc1)(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425461 O=C1CCc2cc(cc3CCN1c23)C(C1CCCCC1)c1ccncc1
BDBM50425462 CC(C)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425463 CC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425464 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425465 Cc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425466 Clc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425467 Clc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425468 Fc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50425469 Fc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
BDBM50422015 C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34C)[C@@H]1CCC2=O |r,t:7|
BDBM50430071 Clc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
BDBM50430072 Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
BDBM50430073 COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
BDBM50430074 COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(OC)cc12
BDBM50430075 COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C)cc3)c2c1
BDBM50430076 COc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C#N)c2c1
BDBM50430077 COc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C(F)(F)F)c2c1
BDBM50430078 COc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
BDBM50430079 COc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
BDBM50430080 Cc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C#N)c2c1
BDBM50430081 Cc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
BDBM50430082 COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(C)cc12
BDBM50430083 Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(C)cc12
BDBM50430084 Cc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
BDBM50428331 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
BDBM50428336 COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
BDBM50430085 C(c1cc2ccccc2n1-c1ccccc1)n1ccnc1
BDBM50429513 Nc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429514 Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429515 O=c1c2ccccc2oc2c(OC3CCCC3)ccc(Cn3ccnc3)c12
BDBM50429516 O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12
BDBM50429517 CCC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429518 CC(C)CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429519 CC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429520 CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429521 COc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429522 O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)-c1ccccc1
BDBM50429523 Ic1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50429524 Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
BDBM50430086 FC(F)(F)c1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
BDBM50430087 COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
BDBM50430088 Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
BDBM50430089 Fc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
BDBM50421840 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O |t:8|
BDBM50421878 C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:6,12,t:8|
BDBM50441292 C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
BDBM50441293 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
BDBM50441294 C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
BDBM50441295 C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r|
BDBM50442318 Cc1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
BDBM50442319 COc1ccc(cc1)-c1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
BDBM50442320 CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
BDBM50442321 COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
BDBM50442322 CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
BDBM50442316 COc1cccc(c1)C1=CC(=O)c2ccc3N=CC=c3c2=N1 |c:17,19,23,t:9|
BDBM50442317 CCn1ccc2c1ccc1nc(cc(C(O)=O)c21)-c1ccccc1
BDBM50442328 Cc1cc(CO)c2ccc3[nH]ccc3c2n1
BDBM50442329 CCn1ccc2c1ccc1c(CO)cc(nc21)-c1ccccc1
BDBM50442330 COc1ccc(cc1)-c1cc(CO)c2ccc3[nH]ccc3c2n1
BDBM50442331 OCc1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
BDBM50442332 CCOC(=O)c1cc(nc2ccc3n(CC)ccc3c12)-c1ccccc1
BDBM50442323 Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
BDBM50442324 COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
BDBM50442325 C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
BDBM50442336 CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
BDBM50441056 Oc1ccc(O)c(c1)-c1cn2ccsc2n1
BDBM50441057 Cc1cn2cc(nc2s1)-c1ccc(O)c(O)c1O
BDBM50442326 CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
BDBM50442327 CCn1ccc2c1ccc1nc(cc(CO)c21)-c1ccccc1
BDBM50442333 CCOC(=O)c1cc(C)nc2c3cc[nH]c3ccc12
BDBM50442334 CCOC(=O)c1cc(nc2c3ccn(CC)c3ccc12)-c1ccccc1
BDBM50442335 CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccc(OC)cc1
BDBM50435003 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
BDBM50435004 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50435005 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50435006 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1
BDBM50444549 Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
BDBM50444553 COC(=O)[C@@]1(CCc2cncn12)c1ccc(cc1Cl)C#N |r|
BDBM50442761 CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442762 CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50442763 O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442764 O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
BDBM50442765 O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50442766 COCO[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442767 COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
BDBM50442768 COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50442769 CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442770 CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
BDBM50442771 CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50442772 O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442773 O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
BDBM50442774 O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50442775 COCO[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
BDBM50442776 COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
BDBM50442777 COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50444551 Fc1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r|
BDBM50438991 Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
BDBM50438992 COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
BDBM50438993 Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
BDBM50438994 COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
BDBM50438995 COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
BDBM50438997 Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
BDBM50438998 COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
BDBM50438999 Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
BDBM50439000 COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
BDBM50439001 Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
BDBM50439002 COc1ccc2ccc(-c3cccnc3)c(F)c2c1
BDBM50439003 Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
BDBM50439004 COc1ccc2ccc(cc2c1)-c1cccnc1
BDBM50439057 Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
BDBM50445504 O=C1C(COc2ccc3ccccc3c12)c1ccc(Oc2ccccc2)cc1
BDBM50445501 Fc1ccc2OCC(C(=O)c2c1)c1cccnc1
BDBM50445502 Fc1cccc2C(=O)C(COc12)c1cccnc1
BDBM50445503 COc1ccc2OCC(C(=O)c2c1)c1cccnc1
BDBM50445505 Fc1cc(F)cc(c1)C1COc2ccccc2C1=O
BDBM50445506 Fc1ccc(cc1)C1COc2ccccc2C1=O
BDBM50445507 Fc1cccc(c1)C1COc2ccccc2C1=O
BDBM50445508 Fc1ccccc1C1COc2ccccc2C1=O
BDBM50445509 Fc1cccc2C(=O)C(COc12)c1ccccc1
BDBM50444916 O=C1\C(=C/c2ccncc2)C(c2ccccc2)n2cccc12
BDBM50444917 O=C1\C(=C/c2cccnc2)C(c2ccccc2)n2cccc12
BDBM50438989 Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
BDBM50438990 COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
BDBM50438996 COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
BDBM50010068 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCc1ccccc1 |r,t:18|
BDBM50010070 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(N)cc1 |r,t:18|
BDBM50010071 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccccc1 |r,t:18|
BDBM50009647 Oc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
BDBM50010067 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCCC |r,t:18|
BDBM50010069 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccc(OC)cc1 |r,t:18|
BDBM50038208 FC(F)(F)Oc1ccc(COc2ccc(cc2)C(=O)Cn2ccnc2)cc1
BDBM50038209 O=C(Cn1ccnc1)c1ccc(OCc2cccc(c2)C#N)cc1
BDBM50038285 [O-][N+](=O)c1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
BDBM50069752 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CO)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20|
BDBM50069753 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C |r,c:23,t:19|
BDBM50069755 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@]2(CO2)C2=CC(=O)C=C[C@]12C |r,c:25,t:21|
BDBM50023458 CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc2OCOc2c1
BDBM50023460 CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Br)cc1
BDBM50023461 CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1
BDBM50023462 CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1
BDBM50023463 CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccccc1
BDBM50023465 CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Cl)cc1
BDBM50094248 O=c1cc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)c2ccccc2o1
BDBM50094243 [O-][N+](=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
BDBM50094253 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(cc2)[N+]([O-])=O)nn1
BDBM50094258 O=c1cc(OCc2cn(nn2)-c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c2ccccc2o1
BDBM50038286 FC(F)(F)Oc1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
BDBM50038288 O=C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
BDBM50038289 O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
BDBM50038290 COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC
BDBM50038291 COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
BDBM50038292 O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1
BDBM50038295 CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50038296 [O-][N+](=O)c1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50038297 COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
BDBM50069754 [H][C@@]12O[C@]1([H])[C@@]1(C)C(=CC2=O)C(=C)C[C@@]2([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]12[H] |r,c:8|
BDBM50081403 NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
BDBM50081407 NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
BDBM50081408 NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
BDBM50081410 NCCOc1ccc(cc1)C(=C(/Cn1ccnc1)c1ccccc1)\c1ccc(O)cc1
BDBM50081416 NCCOc1ccc(cc1)C(=C(/CC#N)c1ccccc1)\c1ccc(O)cc1
BDBM50081418 [#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
BDBM50081421 CC(C)C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)\c1ccccc1
BDBM50081430 CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50081432 NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
BDBM50081462 NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
BDBM50081464 CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50081465 CC\C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50081466 [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
BDBM50081467 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
BDBM50081468 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
BDBM50081469 NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
BDBM50081470 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCO)cc1)c1ccccc1
BDBM50081471 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1
BDBM50081530 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
BDBM50081535 CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
BDBM50081536 CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
BDBM50023464 CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1
BDBM50044143 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
BDBM50078606 Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
BDBM50078608 Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
BDBM50078610 Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
BDBM50078611 COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
BDBM50078612 CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
BDBM50078613 CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
BDBM50078614 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
BDBM50078615 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
BDBM50078625 CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
BDBM50078627 CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
BDBM50078629 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
BDBM50078616 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
BDBM50078618 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
BDBM50078619 Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
BDBM50078620 Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
BDBM50078621 Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
BDBM50078622 Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
BDBM50078623 Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
BDBM50078624 Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
BDBM50023459 CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(C)cc1
BDBM50048707 [H][C@]12CCc3cocc3[C@]1(CO)CCC1(O)C(C)=C(O)C(=O)C[C@]21C |r,t:19|
BDBM50078607 Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
BDBM50081433 C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50081463 CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
BDBM50082277 [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
BDBM50082278 [O-][N+](=O)c1ccc(c(OCc2ccccc2)c1)-c1ccncc1
BDBM50078609 Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
BDBM50078617 Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
BDBM50078626 CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
BDBM50078628 CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
BDBM50082279 [O-][N+](=O)c1ccc(c(OCCCc2ccccc2)c1)-c1cccnc1
BDBM50082280 [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1cccnc1
BDBM50082281 [O-][N+](=O)c1ccc(c(OCc2ccccc2)c1)-c1cccnc1
BDBM50082282 Nc1ccc(c(OCc2ccccc2)c1)-c1cccnc1
BDBM50082286 FC(F)(F)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
BDBM50082288 N#Cc1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
BDBM50082293 [O-][N+](=O)c1ccc(Cc2cccnc2)c(OCCc2ccccc2)c1
BDBM50082294 [O-][N+](=O)c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1
BDBM50082276 [O-][N+](=O)c1ccc(c(OCCCc2ccccc2)c1)-c1ccncc1
BDBM50082287 N#Cc1ccc(c(OCCc2ccccc2)c1)-c1cccnc1
BDBM50038294 CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
BDBM50038298 O=C(Cn1ccnc1)c1ccc(OCc2cccnc2)cc1
BDBM202571 Cc1c(C(=O)CSC#N)c(=O)n(-c2ccccc2)n1C
BDBM202572 Cc1c(-c2csc(=N)o2)c(=O)n(-c2ccccc2)n1C
BDBM202573 Cc1c(C(=O)c2sc(=N)sc2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
BDBM202574 Cc1c(C(=O)c2nn3c(nc(=N)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
BDBM202575 Cc1c(C(=O)c2nn3c(nc(=O)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
BDBM202576 Cc1c(-c2nn(cc2SC#C)-c2ccccc2)c(=O)n(-c2ccccc2)n1C |(6.84,-23.1,;5.43,-22.48,;5.11,-20.97,;6.14,-19.83,;7.39,-20.73,;8.63,-19.83,;8.16,-18.36,;6.62,-18.36,;5.71,-17.12,;6.34,-15.71,;6.74,-14.22,;10.1,-20.3,;10.42,-21.81,;11.88,-22.29,;13.03,-21.25,;12.71,-19.75,;11.24,-19.27,;3.58,-20.81,;2.81,-19.48,;2.95,-22.22,;1.45,-22.54,;.42,-21.39,;-1.09,-21.71,;-1.57,-23.18,;-.53,-24.32,;.97,-24,;4.1,-23.25,;3.94,-24.78,)|
BDBM202577 Cc1c(-c2nocc2SC#N)c(=O)n(-c2ccccc2)n1C |(16.74,-22.83,;15.33,-22.2,;15.01,-20.7,;16.04,-19.55,;17.57,-19.71,;18.2,-18.31,;17.06,-17.28,;15.72,-18.05,;14.32,-17.42,;14.15,-15.89,;14.15,-14.35,;13.48,-20.54,;12.71,-19.2,;12.85,-21.94,;11.35,-22.26,;10.32,-21.12,;8.81,-21.44,;8.33,-22.9,;9.37,-24.05,;10.87,-23.73,;14,-22.97,;13.84,-24.5,)|
BDBM202578 CC1C(C(=O)N(N1C)c1ccccc1)c1csc2nc3ccccc3c(=O)n12
BDBM202579 Cc1c(-c2csc(O)n2)c(=O)n(-c2ccccc2)n1C
BDBM202580 Cc1c(-c2csc(Cl)n2)c(=O)n(-c2ccccc2)n1C
BDBM50121073 NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM50121075 NS(=O)(=O)Oc1ccc(SCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM50121076 NS(=O)(=O)Oc1ccc(SCCCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM50121077 NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1
BDBM50121078 NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1Cl
BDBM50121079 NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1Br
BDBM50121080 Cn1nnc2ccc(cc12)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
BDBM50121095 Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
BDBM50121109 NS(=O)(=O)Oc1ccc2CC(CN(c3ccc(cc3)C#N)n3cnnc3)CCc2c1
BDBM50121111 Cn1cc(CCN(c2ccc(cc2)C#N)n2cnnc2)c2cc(OS(N)(=O)=O)ccc12
BDBM50121197 CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccccc2)c1
BDBM50121199 CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Cl)c2)c1
BDBM50121200 CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Br)c2)c1
BDBM50121201 NS(=O)(=O)Oc1ccc(Sc2cc(Cn3cncn3)cc(c2)C2(CCC2)C#N)cc1
BDBM50121202 NS(=O)(=O)Oc1ccc(Sc2cc(Cn3cncn3)cc(c2)C2(CC2)C#N)cc1
BDBM50121203 CC(C)(C#N)c1cc(Cn2cncn2)cc(Oc2ccc(OS(N)(=O)=O)cc2)c1
BDBM50121204 CC(C)(C#N)c1cc(Cn2cncn2)cc(\C=C\c2ccc(OS(N)(=O)=O)cc2)c1
BDBM50135753 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(F)c(O)cc3CC[C@@]21[H] |r|
BDBM50135757 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(Cl)c(O)cc3CC[C@@]21[H] |r|
BDBM50135762 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(=C)C[C@]12C |r,t:18|
BDBM50136074 [H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50136073 [H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50136075 [H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50122332 Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
BDBM50122353 C1Cc2cc(ccc2-n2c1nnc2-c1ccccc1)-c1cccnc1
BDBM50135784 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C)=C[C@]12C |r,c:23,t:18|
BDBM50135786 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)C(CCCCCC)=C[C@]12C |r,c:18,29|
BDBM50135787 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(OC)=C[C@]12C |r,c:24,t:18|
BDBM50135791 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@H](CCC[C@]12C)OC(C)=O |t:17|
BDBM50135789 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C(=O)CCC[C@]12C |r,t:17|
BDBM50135790 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@@H](O)CCC[C@]12C |t:17|
BDBM50135864 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC(C)=O)C2=CCCC[C@]12C |r,t:22|
BDBM50135866 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC)C2=CCCC[C@]12C |r,t:20|
BDBM50135868 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC)C2=CCCC[C@]12C |r,t:20|
BDBM50135869 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C |r,t:16,19|
BDBM50135870 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CC)C2=CC(=O)CC[C@]12C |r,t:16,20|
BDBM50135871 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCC)C2=CC(=O)CC[C@]12C |r,t:16,21|
BDBM50135875 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCC)C2=CC(=O)CC[C@]12C |r,t:16,23|
BDBM50135876 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCC)C2=CC(=O)CC[C@]12C |r,t:16,24|
BDBM50135859 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23|
BDBM50135792 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(C(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,t:18|
BDBM50135858 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
BDBM50135860 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCCC)C2=CC(=O)CC[C@]12C |r,t:24|
BDBM50135861 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
BDBM50135863 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CCCC[C@]12C |r,t:19|
BDBM50136104 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C(O)C(=O)C(C)(C)C[C@]12C |r,c:19|
BDBM50136112 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C(O)C(=O)CC[C@]12C |r,c:19|
BDBM50136199 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)C=C[C@]12C)Sc1ccc(N)cc1 |c:22,t:18|
BDBM50136212 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=CC2=CC(=O)C=C[C@]12C)c1ccccc1 |r,c:16,22,t:18|
BDBM50136213 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(Cc2ccccc2)=CC2=CC(=O)C=C[C@]12C |r,c:24,30,t:26|
BDBM50136214 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(CCc2ccccc2)=CC2=CC(=O)C=C[C@]12C |r,c:25,31,t:27|
BDBM50136216 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1 |r,t:18|
BDBM50136217 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1cccc2ccccc12 |r,t:18|
BDBM50135887 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCCC)C2=CC(=O)CC[C@]12C |r,t:16,25|
BDBM50135913 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C |r,c:16,t:18|
BDBM50135917 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CC)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20|
BDBM50135918 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCC)C2=CC(=O)C=C[C@]12C |r,c:25,t:16,21|
BDBM50135921 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCC)C2=CC(=O)C=C[C@]12C |r,c:26,t:16,22|
BDBM50121074 NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
BDBM50121105 Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
BDBM50121108 Oc1ccc(cc1)S(=O)(=O)CCCN(c1ccc(cc1)C#N)n1cnnc1
BDBM50121112 NS(=O)(=O)Oc1ccc2occ(CCN(c3ccc(cc3)C#N)n3cnnc3)c2c1
BDBM50135922 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCC)C2=CC(=O)C=C[C@]12C |r,c:27,t:16,23|
BDBM50135969 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCC)C2=CC(=O)C=C[C@]12C |r,c:28,t:16,24|
BDBM50135970 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCCC)C2=CC(=O)C=C[C@]12C |r,c:29,t:16,25|
BDBM50135971 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:27|
BDBM50135973 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,26|
BDBM50135983 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C2=CC(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,t:18|
BDBM50135984 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)C=C[C@]12C)c1ccc(O)cc1 |r,c:16,22,t:18|
BDBM50135985 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)C=C[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,c:16,22,t:18|
BDBM50135987 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C |r,t:17|
BDBM50135988 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=CCC[C@]12C |r,c:19,t:17|
BDBM50135989 [H][C@@]12O[C@@]11C(=O)C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC2=O |r|
BDBM50135990 [H][C@@]12O[C@@]11C(=O)C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@]1(CCC2=O)C=O |r|
BDBM50135999 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:26|
BDBM50135996 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(=O)CBr)C2=CC(=O)CC[C@]12C |r,t:23|
BDBM50135998 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22|
BDBM50136000 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CC(=O)CC[C@]12C |r,t:19|
BDBM50136057 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CC)C2=CC(=O)CC[C@]12C |r,t:20|
BDBM50136063 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22|
BDBM50136065 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=C/C)C2=CC(=O)CC[C@]12C |r,t:20|
BDBM50136066 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC#C)C2=CC(=O)CC[C@]12C |r,t:21|
BDBM50136067 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CC#C)C2=CC(=O)CC[C@]12C |r,t:21|
BDBM50136069 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=O)C2=CC(=O)C=C[C@]12C |r,c:25,t:21|
BDBM50136070 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)C2=CC(=O)C=C[C@]12C |r,c:29,40,t:24,36|
BDBM50136071 [H][C@]1(CO1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50136072 [H][C@@]1(CO1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50121198 CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)cc2)c1
BDBM50135974 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,27|
BDBM50135975 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)C=C[C@]12C |r,c:31,t:16,27|
BDBM50135976 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(=O)CCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
BDBM50135978 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Br)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
BDBM50135979 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](Br)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
BDBM50135980 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)CC[C@]12C)c1ccc(O)cc1 |r,c:16,t:18|
BDBM50135981 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,c:16,t:18|
BDBM50135993 [H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC2=O |r|
BDBM50135994 [H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@]1(CCC2=O)C=O |r|
BDBM50135991 [H][C@]12O[C@]11C(=O)CCC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])C2=O |r|
BDBM50135995 [H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(CO)CCC2=O |r|
BDBM50135766 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](O)C[C@]12C |r,t:18|
BDBM50135764 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](Cl)C[C@]12C |r,t:18|
BDBM50135765 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](Br)C[C@]12C |r,t:18|
BDBM50135768 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C[C@]12C)OC |r,t:18|
BDBM50135769 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C[C@]12C)OCC |r,t:18|
BDBM50135770 [H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)CC[C@]12C |r,t:20|
BDBM50135771 [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)CC[C@]12C |r,t:20|
BDBM50135772 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C[C@@H](CC[C@]12C)OC |r,t:19|
BDBM50136077 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
BDBM50121110 NS(=O)(=O)Oc1ccc2n(CCN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1
BDBM50122365 COC(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
BDBM50123011 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](F)C[C@]12C |r,t:18|
BDBM50123012 [H][C@@]12C[C@H](C#N)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Sc3ccccc3)C(=O)CC[C@]12C |r,c:20|
BDBM50123013 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)C(O)=C(C[C@]12C)C#N |r,c:23|
BDBM50123014 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)c3[nH]ncc3C[C@]12C |r|
BDBM50123016 [H][C@@]12C[C@@H](C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C)n1ccnc1 |r,c:22,t:18|
BDBM50123017 [H][C@@]12C[C@@H](C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)n1ccnc1 |r,t:18|
BDBM50123018 [H][C@@]12C\C(=C/c3ccncc3)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:26|
BDBM50123019 [H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@](C)([C@H]2CC#N)C(C)=O |r,c:2,t:4|
BDBM50123020 [H][C@@]12CC=C3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](C)OC(=O)C[C@@]21[H] |r,t:3|
BDBM50135484 [H][C@@]12C\C(=C/c3ccc4OCOc4c3)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:34,t:30|
BDBM50135485 [H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])CC[C@]3(C)C1=NN(C)[C@@H]2c1ccccc1 |r,c:13,27,t:9|
BDBM50135486 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](CCCc3ccccc3)C[C@@]21[H] |r|
BDBM50135489 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](CCCc3ccccc3)C[C@@]21[H] |r|
BDBM50135491 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](CCCc3ccccc3)C[C@@]21[H] |r|
BDBM50135704 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](CCCc3ccccc3)C[C@@]21[H] |r|
BDBM50135706 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](Cc3ccccc3)C[C@@]21[H] |r|
BDBM50135707 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](Cc3ccccc3)C[C@@]21[H] |r|
BDBM50135708 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](Cc3ccccc3)C[C@@]21[H] |r|
BDBM50135742 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](C)C[C@@]21[H] |r|
BDBM50135744 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](C)C[C@@]21[H] |r|
BDBM50123023 Fc1ccc(cc1)C(c1cc2ccccc2o1)n1cncn1
BDBM50123029 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(NC(=O)c4ccncc4)c3CC[C@@]21[H] |r|
BDBM50123030 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](CC)C[C@]12C |r,t:18|
BDBM50135788 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(CCCc3ccccc3)=C[C@]12C |r,c:32,t:18|
BDBM50135799 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23|
BDBM50135745 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](C)C[C@@]21[H] |r|
BDBM50136218 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc2ccccc2c1 |r,t:18|
BDBM50123151 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21|
BDBM50123152 COc1ccc2CC\C(=C/c3c[nH]cn3)C(=O)c2c1
BDBM50092142 CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
BDBM50092139 Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
BDBM50123154 CCc1nc(C)cn1Cc1ccccc1CC(O)=O
BDBM50123155 C(c1ccccc1)n1c2ccccc2c2ccccc12
BDBM50092153 CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
BDBM50094239 O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
BDBM50094240 O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
BDBM50094241 Cc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
BDBM50094242 O=Cc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
BDBM50094244 Cc1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50094245 O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2cccc3ccccc23)nn1
BDBM50094246 O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2ccc3ccccc3c2)nn1
BDBM50094247 O=c1ccc2ccc(OCc3cn(nn3)-c3ccc(cc3)S(=O)(=O)NCCc3ccccc3)cc2o1
BDBM50094249 COc1ccc(CCNS(=O)(=O)c2ccc(cc2)-n2cc(nn2)-c2ccccc2)cc1OC
BDBM50094250 COc1ccc(CCNS(=O)(=O)c2ccc(cc2)-n2cc(COc3ccc(cc3)[N+]([O-])=O)nn2)cc1OC
BDBM50094251 CC(=O)c1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM50135754 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(C)c(O)cc3CC[C@@]21[H] |r|
BDBM50135748 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)C=C[C@]12C)Sc1ccc(Br)cc1 |r,c:22,t:18|
BDBM50094252 O=c1cc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)c2ccccc2o1
BDBM50094254 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2C)nn1
BDBM50094255 COC(=O)c1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
BDBM50094256 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2C(C)=O)nn1
BDBM50094257 COc1ccc(C=O)cc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
BDBM50094259 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
BDBM50135755 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(F)c(O)cc3CC[C@@]21[H]
BDBM50094260 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)-n1cc(COc2cc(=O)oc3ccccc23)nn1
BDBM50135758 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(Br)c(O)cc3CC[C@@]21[H]
BDBM50135857 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCC)C2=CC(=O)CC[C@]12C |r,t:24|
BDBM50135862 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CCCC[C@]12C |r,t:19|
BDBM50135865 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC)C2=CCCC[C@]12C |r,t:20|
BDBM50123021 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@](C)([C@H]2CC#N)C(C)=O |r,t:4|
BDBM50135867 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(C)=O)C2=CCCC[C@]12C |r,t:22|
BDBM50135916 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)C=C[C@]12C |r,c:23,t:16,19|
BDBM50135977 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:27|
BDBM50135982 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C2=CC(=O)CC[C@]12C)c1ccc(O)cc1 |r,t:18|
BDBM50135986 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=CCC[C@]12C |r,c:19,t:17|
BDBM50135992 [H][C@]12O[C@]11C(=O)CCC[C@]1(C=O)[C@@]1([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])C2=O |r|
BDBM50135997 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19|
BDBM50136064 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C=C)C2=CC(=O)CC[C@]12C |r,t:20|
BDBM50123024 Fc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
BDBM50136068 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC[N+]([O-])=O)C2=CC(=O)C=C[C@]12C |r,c:27,t:23|
BDBM50136076 [H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10|
BDBM50136175 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])C2=CC(=O)CC[C@]12C |r,t:25|
BDBM50136215 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 |r,t:18|
BDBM50123150 [H][C@]12C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]3(CO1)CCC(=O)C=C23 |r,t:27|
BDBM50123153 CCn1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
BDBM50123025 NS(=O)(=O)Oc1ccc(CCC(c2ccc(cc2)C#N)n2cncn2)cc1Br
BDBM50123027 [H][C@@]12C\C(=C/c3ccc(OCCCn4ccnc4)c(OC)c3)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:37|
BDBM50123026 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2ccnc2)c(F)c1
BDBM50123028 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(NC(=O)c4ccncc4)c(O)cc3CC[C@@]21[H] |r|
BDBM50123015 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C\C(=C/c1cccc(OCCCn3ccnc3)c1)C2=O |r,t:8|
BDBM50135785 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Br)C2=CC(=O)C(C)=C[C@]12C |r,c:24,t:19|
BDBM50135705 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](Cc3ccccc3)C[C@@]21[H] |r|
BDBM50135743 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](C)C[C@@]21[H] |r|
BDBM50135872 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCC)C2=CC(=O)CC[C@]12C |r,t:16,22|
BDBM50135972 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:29|
BDBM50135761 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C)(C)C[C@]12C |r,t:18|
BDBM50135760 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](C)C[C@]12C |r,t:18|
BDBM50135763 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C)C[C@]12C |r,t:18|
BDBM50162276 O=c1c(Cc2ccncc2)coc2ccccc12
BDBM50180683 COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
BDBM50180684 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
BDBM50180685 NS(=O)(=O)Oc1ccc(CC(c2ccc(cc2)C#N)n2cncn2)cc1Br
BDBM50180686 Fc1ccc(cc1)-c1cc(-n2cccc2)c2ccccc2n1
BDBM50180688 [H][C@@]12CC(C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C)n1ccnc1 |r,c:22,t:18|
BDBM50180689 [H][C@@]12CC(C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)n1ccnc1 |r,t:18|
BDBM50180690 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21|
BDBM50180692 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)CC[C@]12C |r,t:21|
BDBM50171207 COC(=O)c1ccccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171208 Cc1cc(ccc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171226 COc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171227 [O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171228 Fc1ccc(cc1Cl)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171231 O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2nsnc2c1
BDBM50171232 OC(=O)c1cc(ccc1O)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171306 Clc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)C#N
BDBM50171307 Fc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171308 O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(cc1)C#N
BDBM50171309 Fc1ccc(c(F)c1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171310 COc1ccc(cc1Br)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171312 Fc1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171342 Cc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171343 COc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)[N+]([O-])=O
BDBM50171344 CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171345 [O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171348 COc1c(C)cc(cc1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171349 COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171350 Fc1cc(ccc1OC1CCCC1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50171390 O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1
BDBM50171229 O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1
BDBM50171230 O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1cccc2nsnc12
BDBM50162274 Fc1ccc2c(c1)occ(Cc1ccncc1)c2=O
BDBM50180687 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)c3[nH]ccc3C[C@]12C |r|
BDBM50180691 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CCCC[C@]12C |r,t:21|
BDBM50162283 Fc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
BDBM50162284 COc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
BDBM50168057 [H][C@]12CCC[C@]3(C)[C@@]4([H])CC[C@]5(C)C(=O)CC[C@@]5([H])[C@]4([H])CC[C@]13O2 |r|
BDBM50171311 COc1ccc(cc1OC)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50168056 [H][C@@]12CCC(=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,c:10,t:17|
BDBM50168058 [H][C@]12C[C@@]1([H])[C@]1([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC2 |r|
BDBM50162293 Fc1ccc2c(c1)oc(Cc1ccncc1)cc2=O
BDBM50171300 COc1ccc(c(OC)c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
BDBM50167829 C[C@H](O)C\C=C\CCCCC1Cc2cc(O)cc(O)c2C(=O)O1 |r|
BDBM50197068 CC(=C(c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50197080 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1
BDBM50197081 [#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
BDBM50203332 CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203336 CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50197069 [#6]-[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
BDBM50197072 [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1
BDBM50197075 CC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50203331 COCCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203334 Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CCOCC2)O1 |r|
BDBM50203333 FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203335 Cn1ccnc1S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203337 CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203338 CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203339 Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|
BDBM50203340 FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50203341 Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r|
BDBM50203342 Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)O1 |r|
BDBM50206959 Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
BDBM50197070 [#6]-[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1
BDBM50197071 CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
BDBM50197076 [#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1
BDBM50197077 CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50197078 [#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1