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883 SMILES Strings for Alkaline phosphatase placental-like

Compound NameSMILES String
BDBM4339 [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
BDBM4293 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
BDBM14363 CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM21213 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
BDBM23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM29532 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
BDBM31759 OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
BDBM32799 FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(n[nH]1)-c1ccccc1
BDBM32715 Cc1cc(=O)n([nH]1)-c1nc(C)cc(=O)[nH]1
BDBM34274 COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM34278 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
BDBM32278 N(c1ccccc1)c1cccc(Nc2ccccc2)n1
BDBM34235 CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
BDBM32236 CCc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
BDBM33720 COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
BDBM32284 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
BDBM32012 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
BDBM32136 CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
BDBM32099 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccc(Cl)cc2O1
BDBM32101 CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
BDBM34392 CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
BDBM34696 COC(=O)C(N)Cc1ccc(O)c(O)c1
BDBM34745 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
BDBM34678 Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
BDBM34868 CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O |w:15.16|
BDBM34716 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
BDBM34717 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|
BDBM34465 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM34599 FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccc(Cl)cc2O1
BDBM34565 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cc(OC)c(O)c(OC)c1
BDBM34370 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1
BDBM34475 Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
BDBM38924 c1ccc(nc1)-c1cccc(n1)-c1ccccn1
BDBM38931 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
BDBM38257 OC(=O)c1cccn2c1nc1ccccc1c2=O
BDBM37169 CCCn1c(CNc2ccc(Br)cc2)nc2ccccc12
BDBM41028 CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM40728 Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
BDBM39587 CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C |c:5|
BDBM39601 Clc1ccc(cc1)S(=O)(=O)N1CCSC1c1ccco1
BDBM39610 [H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2 |TLB:8:7:2.3:6.5,(7.09,2.4,;6.6,3.85,;2.76,2.16,;3.53,.83,;6.2,2.37,;9.02,1.2,;9.42,2.69,;4.69,5.16,;3.21,5.56,;2.81,7.05,;1.32,7.45,;.92,8.93,;2.01,10.02,;1.61,11.51,;3.5,9.62,;4.59,10.71,;3.9,8.14,;6.03,5.93,)|
BDBM39617 CNc1nnc(s1)-c1cc2ccccc2oc1=O
BDBM39627 Cc1c(Cl)cccc1NC(=O)NC1CCCCC1
BDBM40697 Oc1ccc(cc1O)-c1cn2CCSc2n1
BDBM39641 OC12NC(=O)N(CC=C)C1(O)c1ccccc1C2=O
BDBM39654 Cc1cc(Nc2ccccc2)n(n1)-c1ccc(Br)cc1
BDBM39655 CCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
BDBM39659 Cc1ccc(C(=O)c2ccc(cc2)[N+]([O-])=O)c(C)c1
BDBM39661 Clc1ccccc1OCc1nc(no1)-c1ccc(Br)o1
BDBM39664 CCCCN1CCc2c1nc1ccc(Br)cc1c2N
BDBM39665 Cc1ccsc1\C=C1/CCc2ccccc2C1=O
BDBM39685 Clc1ccc(OCn2c3ccccc3sc2=O)cc1
BDBM39691 CN(C)c1ccc(\C=C\c2cc[n+](C)cc2)cc1
BDBM39698 CCCCCCCCNc1ncnc2ccccc12
BDBM39700 CCSc1nc(cc(-c2cccs2)c1C#N)C1CC1
BDBM39728 CN(C)C(\C)=C/c1oc2ccc(O)cc2c1[N+]([O-])=O
BDBM39729 Oc1ccc(cc1\C=C1\NC(=S)NC1=O)[N+]([O-])=O
BDBM39733 Cc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1 |w:6.6|
BDBM39734 Cc1cc(Nc2ccccc2)n(n1)-c1cccc(Cl)c1
BDBM39764 COC(=O)c1cn[nH]c1NC(=S)Nc1ccccc1C
BDBM39768 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cccc(N)c1 |w:3.3|
BDBM39771 [O-][N+](=O)c1ccc(N2CCNCC2)c2ncccc12
BDBM39772 Clc1ccc(CN2CCCCCCC2)cc1Cl
BDBM39774 [O-][N+](=O)c1ccccc1N=NCc1ccccc1Cl |w:9.9|
BDBM39787 CCc1ccc(NSc2ccccc2[N+]([O-])=O)cc1
BDBM39794 CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
BDBM39805 CSc1cccc(NC(=O)\C=C\c2ccccc2)c1
BDBM40076 CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
BDBM40218 CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
BDBM39608 CCCn1c(nc2ccccc12)C(O)c1ccc2OCOc2c1
BDBM39609 Cc1cc(C2N=C(N)Nc3nc4ccccc4n23)c(C)n1-c1ccc(C)cc1C |t:5,(5.56,-1.7,;6.82,-.81,;6.83,.73,;8.3,1.19,;8.8,2.65,;10.37,2.97,;10.86,4.5,;12.37,4.82,;9.78,5.68,;8.22,5.32,;6.97,6.23,;5.73,5.32,;4.16,5.68,;3.08,4.5,;3.58,2.97,;5.15,2.65,;6.2,3.86,;7.74,3.86,;9.19,-.07,;10.73,-.08,;8.28,-1.3,;8.73,-2.77,;10.24,-3.11,;10.7,-4.58,;9.65,-5.71,;10.11,-7.18,;8.15,-5.37,;7.69,-3.9,;6.19,-3.57,)|
BDBM39693 CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12
BDBM39694 CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
BDBM39695 CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
BDBM39696 Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
BDBM39697 CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
BDBM39726 Clc1ccc(CSCCc2ccncc2)cc1
BDBM39727 O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1
BDBM39730 Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
BDBM39731 CC(CCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)NC(C)CCc1ccccc1
BDBM39732 O=C(Oc1ccc(cc1)C(=O)Nc1ccccc1)c1cc2ccccc2o1
BDBM39769 Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
BDBM39574 Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1
BDBM39611 O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
BDBM39612 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM39656 Cc1ccc(N2CCN(CC2)C(=O)CCc2nc3ccccc3[nH]2)c(C)c1
BDBM39657 Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
BDBM39658 CCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
BDBM39699 COC(=O)c1c(O)c(=Cc2ccc(O)c(OC)c2)[nH]c1=C |w:8.8|
BDBM39735 CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
BDBM39736 CCCCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
BDBM39770 Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
BDBM39773 CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC
BDBM39775 CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
BDBM39776 NS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1
BDBM39777 [H]C12CCCC([H])(CC(C1)NC(=S)Nc1ccccc1CC)N2Cc1cccs1
BDBM39778 Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
BDBM39613 CCCCCCNS(=O)(=O)c1ccc(Cl)s1
BDBM39614 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccccc1
BDBM39660 Clc1ccc(CSc2nnnn2-c2ccc3OCOc3c2)c(Cl)c1
BDBM39701 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(CC)cc1
BDBM39702 COc1ccc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,8.65,;14.69,8.65,;15.46,7.32,;14.69,5.98,;13.15,5.98,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
BDBM39703 COc1ccc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,5.98,;14.69,5.98,;15.46,7.32,;17,7.32,;14.69,8.65,;13.15,8.65,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
BDBM39575 CN(C)CCNc1ncnc2ccccc12
BDBM39576 [H]C12CCC([H])(CC(C1)NC(=O)NC13CC4([H])CC([H])(CC([H])(C4)C1)C3)N2Cc1nnnn1Cc1ccco1 |TLB:17:18:24:15.14.23,THB:20:18:14:21.24.23,20:21:14:18.25.17|
BDBM39577 CCOC(=O)C1CCN(CC1)c1cc(C)nc2cc(nn12)-c1cccc(F)c1
BDBM39578 O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
BDBM39579 CCCOc1ccccc1Cn1c2cc(C)ccc2oc1=O
BDBM39580 Cn1cccc1C(N(C(=O)Cc1cccs1)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
BDBM39581 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(OC)c1
BDBM39582 Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1
BDBM39583 COc1ccc(Cl)cc1NC(=O)CN1CCC(CC1)n1nnc2cc(C)ccc12
BDBM39584 Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
BDBM39585 COc1ccc(cc1)-c1cc(NCc2ccccn2)n2ncnc2n1
BDBM39586 Nc1[nH]nc2nc(NCc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
BDBM39615 CCc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)cc2)cc1
BDBM39616 COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
BDBM39618 Nc1nonc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1
BDBM39662 CCC(C)NC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1
BDBM39663 Cn1nc(CC(=O)NC2CCCCCCCCCCC2)c2ccccc2c1=O
BDBM39737 O=C(OCc1ccc(cc1)C#N)C1CCC(=O)N1
BDBM39738 CC1Cc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2)n1CCc1ccccc1
BDBM39739 Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
BDBM39740 CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)C1
BDBM39588 O=NC(N1CCCCC1)P(=O)(N1CCOCC1)N1CCOCC1
BDBM39589 Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21
BDBM39590 OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
BDBM39591 COc1ccc(OCC(O)Cn2c3ccccc3n(Cc3ccccc3)c2=N)cc1
BDBM39592 COc1ccc2n(CC(=O)NCc3ccco3)c(C)cc(=O)c2c1
BDBM39593 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cccc(Br)c1 |c:15|
BDBM39619 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)ccc1NC(=O)C(C)C
BDBM39620 Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
BDBM39621 COc1ccc(cc1)S(=O)(=O)NCCSCc1cccs1
BDBM39666 Cc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
BDBM39667 Fc1ccc(cc1)C(=O)c1ccc(cc1)C(C#N)c1ccccc1
BDBM39668 Cc1cc2cc(CNC(=O)Nc3cccc(C)c3)ccc2n1C
BDBM39669 Nc1cc(nn1S(=O)(=O)c1ccc(F)cc1)-c1ccccc1
BDBM39670 Clc1ccc(cc1)N1CCN(Cc2ccccc2Cl)CC1
BDBM39671 Cc1ccccc1NC(=NOCc1ccc(Cl)cc1Cl)c1nonc1N |w:9.10|
BDBM39672 COc1cccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1
BDBM39673 COc1cccc(NC(=O)C2CCN(Cc3cnn(c3-n3cccc3)-c3ccccc3)CC2)c1
BDBM39674 Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1
BDBM39675 Cc1ccc(cc1)-n1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nccs1
BDBM39676 Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
BDBM39677 C(CNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
BDBM39678 CC(N(Cc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1
BDBM39679 Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
BDBM39680 CCCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
BDBM39681 [O-][N+](=O)c1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1
BDBM39779 Nc1cc(N2CCCCC2)c(Cl)cc1[N+]([O-])=O
BDBM39780 Cc1[nH]c2ccccc2c1\C=C\c1cc[n+](C)cc1
BDBM39781 CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1 |t:27|
BDBM39622 CCOC(=O)SC1=N\C(=C/c2ccc(cc2)N(C)C)C(=O)S1 |t:6|
BDBM39623 CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccc(C)cc1
BDBM39624 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
BDBM39704 CC(C)c1ccc(OC(=O)c2cccs2)cc1C
BDBM39705 CCOc1ccc(cc1)S(=O)(=O)NCCSc1ccccc1
BDBM39706 O=C(CSc1nsc(SCC(=O)OCc2ccccc2)c1C#N)OCc1ccccc1
BDBM39707 CCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 |t:17|
BDBM39708 CN1c2ccccc2C(C)(C)[C@@]11Oc2ccc(O)cc2C=C1 |c:23|
BDBM39709 CCCCCCCCOC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O)C(O)c1ccccc1
BDBM39710 Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
BDBM39711 COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O
BDBM39712 COc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C\C=C\c2ccccc2)CC1
BDBM39713 C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
BDBM39714 CCCCNC(=S)NN(c1ccccc1)c1ccccc1
BDBM39715 CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
BDBM39716 CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,3.2|
BDBM39717 CCC(C)c1ccc(cc1)-c1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1
BDBM39718 CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7|
BDBM39719 Cc1cc(Nc2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
BDBM39720 CCOC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc21
BDBM39721 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#8]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c3ccccc23)-[#6](=O)-[#7]-1
BDBM39722 Brc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)cc1 |w:6.6|
BDBM39741 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC(=O)NC2CCCc3ccccc23)CC1
BDBM39742 COc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:5.4,t:8|
BDBM39743 Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)no1
BDBM39744 Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
BDBM39745 O=C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
BDBM39746 O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
BDBM39747 CCn1nc(C)c(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:8.8|
BDBM39748 CCn1cc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c(C)n1 |w:6.6|
BDBM39749 FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM39750 CCOc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O |c:11|
BDBM39751 Cc1ccc2[nH]c3c(CC\C(=C\c4ccccc4)C3=O)c2c1
BDBM39752 Cc1nn(C)cc1C=NNC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1 |w:8.9|
BDBM39753 FC(F)Oc1cccc(c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
BDBM39754 CCn1ncc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:7.7|
BDBM39755 CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F
BDBM39756 COc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1ccc(F)cc1)C(=O)c1ccn[nH]1
BDBM39782 CCNc1nc(Cl)nc(NCc2ccccc2)n1
BDBM39783 Clc1ccc(\C=C\c2nc3ccccc3[nH]2)c(Cl)c1
BDBM39784 Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccccc2)C1=O |w:14.15|
BDBM39625 Cc1cc(NC(=O)CCCSc2nc(cc(n2)C(F)(F)F)-c2ccco2)no1
BDBM39626 Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4|
BDBM39628 Oc1ccc(\C=C(/C#N)S(=O)(=O)c2ccccc2)cc1O
BDBM39785 Cc1ccc2oc(N)c(C=O)c(=O)c2c1
BDBM39786 COc1cccc(OCCNc2cc(Cl)ccc2[N+]([O-])=O)c1
BDBM39788 CC(CNc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1Br
BDBM39789 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O
BDBM39629 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1cccnc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
BDBM39630 Fc1ccc(OCc2nc(no2)-c2ccc(Br)o2)c(F)c1
BDBM39631 CCCn1c(nc2ccccc12)C(O)c1ccc(OCC)cc1
BDBM39632 COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
BDBM39633 FC(F)(F)C1(NC(=O)NCc2cccnc2)Oc2ccc(Cl)cc2O1
BDBM39634 Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
BDBM39635 CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
BDBM39790 CCCc1nc2c(C)cc(C)cc2c(N)c1CC
BDBM39791 Brc1cncc(c1)C(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O
BDBM39792 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
BDBM39793 Cc1cc(ccc1NCc1ccc2ccccc2c1)[N+]([O-])=O
BDBM39795 Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)n1 |w:13.13|
BDBM39796 [O-][N+](=O)c1ccc2nc(SCc3ccccc3Cl)sc2c1
BDBM39797 CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
BDBM39636 CCCCC(CC)CNC(=O)c1cccs1
BDBM39637 CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM39638 CCOc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
BDBM39639 COc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
BDBM39640 Cc1nc2sc3c([nH]c(O)cc3=O)c2c(C)c1C
BDBM39798 Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 |w:5.5|
BDBM39799 COc1cc(\C=C2\CCC\C(=C/c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O
BDBM39800 CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1
BDBM39801 COc1cccc(C=NNC(=O)CCc2ccccc2)c1 |w:8.8|
BDBM39802 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccccc1)-c1ccccc1 |w:8.9|
BDBM39803 Clc1ccc(OCc2cccc3ccccc23)c(CN=O)c1
BDBM39804 Cc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1
BDBM39594 COC(=O)COc1nc(C)c(Br)c(OC)n1
BDBM39595 CC(C)n1c(nc2ccccc12)-c1ccc(cc1)N(C)C
BDBM39596 CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC
BDBM39642 Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1
BDBM39643 Cc1ccc(Cn2c3ccccc3n(CC(O)COc3ccccc3)c2=N)cc1
BDBM39597 OP(O)(=O)c1ccccc1OCc1ccccc1
BDBM39598 Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
BDBM39682 CCCCOC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
BDBM39683 CC1CCCC[C-]1\N=[NH+]\c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM39684 CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1
BDBM39599 Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
BDBM39600 c1nn(-c2ccccc2)c2ncn3cnnc3c12
BDBM39602 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1
BDBM39603 Clc1ccc(cc1)-c1nnn(CC(=O)NCCC2=CCCCC2)n1 |t:18|
BDBM39604 Clc1ccc(cc1)-c1nnn(CC(=O)NCC2CCCCC2)n1
BDBM39605 CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
BDBM39606 CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C
BDBM39607 COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
BDBM39644 N=C1C(C#N)C2(CCCCC2)Cc2ccccc12
BDBM39645 Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1ccccc1 |c:4|
BDBM39686 CNC(=O)c1cc2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1
BDBM39687 CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
BDBM39688 Cc1cc(OCc2nc(no2)-c2cccs2)cc(C)c1Cl
BDBM39689 FC(F)(F)c1cc(nc(NCc2ccc(Cl)cc2)n1)-c1ccco1
BDBM39690 CCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
BDBM39757 CCC1CCc2c(O1)c1ccccc1[nH]c2=O
BDBM39758 Cc1ccsc1C=NNC(=O)CSCc1ccc(C)cc1 |w:7.8|
BDBM39759 CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
BDBM39806 Cc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
BDBM39646 Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccccc1
BDBM39647 Cc1ccc(cc1)C1CC(=NNC1=O)c1ccc(Cl)cc1 |c:10|
BDBM39648 Cc1ccc(NC(=O)COc2ccccc2CNC(C)(C)CC(C)(C)C)cc1
BDBM39760 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1
BDBM39761 CN1C(=S)NC(=O)\C(=C\c2ccc(o2)N2CCCCC2)C1=O
BDBM39762 CCOc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:12.11|
BDBM39649 Clc1ccc2n(CSc3nc4ccccc4s3)c(=O)oc2c1
BDBM39650 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1ccccc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
BDBM39651 Clc1ccc(cc1Cl)-c1nnnn1-c1ccc(Cl)c(Cl)c1
BDBM39652 Cc1ccc(cc1)-n1cnc2cc(NCc3cccs3)ccc12
BDBM39653 Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
BDBM39692 CCc1ccc(CN=CCC(=O)c2ccc(Br)cc2)cc1 |w:7.6|
BDBM39723 Brc1cccc(CN2CCCCCCC2)c1
BDBM39724 C(Cc1ccncc1)SCc1ccccc1
BDBM39725 Cc1cccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
BDBM39763 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|
BDBM39765 Clc1ccc(cc1)-c1cc(CSc2cccc(Cl)c2)on1
BDBM39766 COc1ccc(cc1)C(N(C(=O)c1snc(c1N)-c1ccc(F)cc1)c1cccc(F)c1)C(=O)NC1CCCC1
BDBM39767 CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
BDBM43803 CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
BDBM43804 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1cccc(Br)c1
BDBM43805 CCNC(=S)NNC(=S)NCc1ccccc1
BDBM43808 CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl
BDBM43809 CCNC(=S)NNC(=O)c1cc(nc2ccccc12)C1CC1
BDBM43810 Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(C)cc2)c1Cl
BDBM43811 Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
BDBM43812 Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
BDBM43813 Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(c1N)-c1ccccc1
BDBM43814 CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12 |w:8.8|
BDBM43815 CCN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
BDBM43816 Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
BDBM43817 Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
BDBM43818 CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
BDBM43783 COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Br
BDBM43784 Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(C)cc1
BDBM43785 Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1
BDBM43786 Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Br)o2)c1
BDBM43787 CCc1c(C)scc1C(=O)NNC(=S)NCC1CCCO1
BDBM43788 Clc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
BDBM43789 O=C(CCc1ccccc1)Nc1nnc[nH]1
BDBM43790 COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
BDBM43791 CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
BDBM43792 CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
BDBM43793 Cc1ccc(c(C)c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
BDBM43794 CC(=O)NNc1ncnc2n(ncc12)-c1ccc(C)cc1
BDBM43795 Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
BDBM43796 COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
BDBM43797 COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
BDBM43798 C(Cn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12)N1CCCCC1
BDBM43799 CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
BDBM43800 COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
BDBM43801 [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
BDBM43802 CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
BDBM41856 CCOC(=O)c1cc(n[nH]1)-c1ccc2OCCOc2c1
BDBM41857 Cn1nc(cc1C(O)=O)-c1ccc(F)cc1
BDBM41858 COc1ccc(cc1)-c1[nH]nc2oc(=O)cc(C)c12
BDBM41859 CCOC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
BDBM41860 Cn1nc(cc1-c1ccc(F)cc1)C(O)=O
BDBM41861 COC(=O)c1cc(n[nH]1)-c1ccc(OC)cc1
BDBM41877 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
BDBM41882 CCc1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
BDBM41862 O=C1N(C(=O)c2ccccc12)c1nnc(Cc2ccccc2)[nH]1
BDBM41863 COC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1
BDBM41864 COC(=O)c1cc(n[nH]1)-c1ccc(C)cc1C
BDBM41865 CCCCOc1ccc(cc1)-c1cc([nH]n1)C(=O)OC
BDBM41866 COC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
BDBM41867 O=c1cc([nH][nH]1)-c1cccc2ccccc12
BDBM41868 COC(=O)c1cc(n[nH]1)-c1ccccc1
BDBM41869 Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12
BDBM41870 O=C1C(C(=O)c2ccccc12)c1nc2ccccc2[nH]1
BDBM41871 O=C1N(C(=O)c2ccccc12)c1nncs1
BDBM41872 O=C1N(C(=O)c2ccccc12)c1nnc[nH]1
BDBM41873 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
BDBM41874 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(CCc2ccccc2)[nH]1
BDBM42075 COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1
BDBM41875 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1cccnc1
BDBM41876 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(Cc2ccccc2)[nH]1
BDBM41878 COc1ccc2C(=O)N(C(=O)c2c1OC)c1nnc(SC)[nH]1
BDBM41879 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1Cl
BDBM41880 COc1ccc(C)cc1S(=O)(=O)Nc1ccc2ccccc2c1
BDBM41881 Oc1ccc(C(=O)CSc2nnc([nH]2)-c2ccccc2)c(O)c1
BDBM41883 COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
BDBM41884 Cc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
BDBM41885 Oc1ccc(cc1O)C(=O)CNc1ccncc1
BDBM41887 Oc1ccc(cc1O)C(=O)Cn1ccnc1
BDBM41888 CCc1nccn1CC(=O)c1ccc(O)c(O)c1
BDBM41889 Cc1nccn1CC(=O)c1ccc(O)c(O)c1
BDBM41890 Oc1ccc(cc1O)C(=O)Cn1cnc2ccccc12
BDBM41891 Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
BDBM41892 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
BDBM41893 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccccc2)n1CC=C
BDBM41894 COc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM41895 Oc1ccc(CCN=CC2C(=O)Nc3ccccc23)cc1O |w:7.6|
BDBM45070 COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|
BDBM45971 COc1ccc(cc1)-c1[nH]nc2oc(=O)c(CCO)c(C)c12
BDBM45972 CCCc1c(C)c2c(C)[nH]nc2oc1=O
BDBM45973 COc1ccc(cc1)-c1cc(n[nH]1)-c1ccc2ccccc2c1O
BDBM46061 Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1
BDBM46062 COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
BDBM46063 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1
BDBM45786 CCS(=O)(=O)c1nnc(NC(C)=O)[nH]1
BDBM45925 OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM45926 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)c1
BDBM45974 CCCc1nn(C(C)=O)c2CC(C)(C)CC(=O)c12
BDBM45975 CC1(C)Cc2n[nH]c(C=Cc3ccccc3)c2C(=O)C1 |w:8.7|
BDBM45976 CSc1nnc(NC(=O)c2cc(F)c(F)c(F)c2F)[nH]1
BDBM46064 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
BDBM46065 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1
BDBM46066 CCOc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
BDBM46067 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1Cc1ccco1
BDBM46068 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C
BDBM46069 COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM46070 Cc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM46071 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(C)cc1
BDBM46072 CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM46073 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
BDBM46074 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1C
BDBM46075 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
BDBM46076 Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O
BDBM46077 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:9|
BDBM46078 COc1ccc(cc1)-c1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2n1
BDBM44379 Clc1ccccc1-c1nnc([nH]1)-c1ccccc1
BDBM45927 COC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM45928 OC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM45929 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)cc1Cl
BDBM45931 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCCC2)c(Cl)cc1Cl
BDBM45932 CC(C)(C)NC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM45933 Fc1cc(-c2cc([nH]n2)C(=O)N2CCOCC2)c(Cl)cc1Cl
BDBM45934 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)cc1Cl
BDBM45977 Nc1nnc([nH]1)-c1ccc(Cl)cc1
BDBM45978 Oc1ccccc1-c1nnc([nH]1)-c1ccccc1O
BDBM45979 [O-][N+](=O)c1ccc(cc1)-c1nnc([nH]1)-c1ccccc1
BDBM45930 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)c1
BDBM45980 Cc1[nH]nc2CC(C)(C)CC(=O)c12
BDBM45981 Clc1ccc(-c2n[nH]c(=S)[nH]2)c(Cl)c1
BDBM45982 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccnc1
BDBM45983 COc1ccccc1-c1nnc(SC)[nH]1
BDBM45935 Cc1ccc(cc1)-c1nc(N)nn1-c1ccccc1
BDBM45936 COc1ccc(CCc2nc(N)nn2-c2ccccc2)cc1OC
BDBM45937 CC(C)Cc1nc(N)nn1-c1ccccc1
BDBM45938 CC(C)c1nc(N)nn1-c1ccccc1
BDBM46027 Nc1nnc(s1)-c1cc2ccccc2oc1=O
BDBM46028 FC(F)(F)C1(NC(=O)N2CCCC2)Oc2ccccc2O1
BDBM46029 CC1(C)Oc2ccc(cc2O1)[N+]([O-])=O
BDBM46030 CC(C)(C)OC(=O)NC1(Oc2ccccc2O1)C(Cl)(Cl)Cl
BDBM45939 Nc1nc(COc2ccccc2)n(n1)-c1ccccc1
BDBM45940 COc1ccccc1Cc1nc(N)nn1-c1ccccc1
BDBM45941 COc1cccc(Cc2nc(N)nn2-c2ccccc2)c1
BDBM45942 CCc1ccc(cc1)-c1ccc(cc1)-c1nc(N)nn1-c1ccccc1
BDBM46032 CC(C)(C)C1(C)Oc2cccc(O)c2O1
BDBM46033 CCOC(=O)NC1(Oc2ccc(Cl)cc2O1)C(Cl)(Cl)Cl
BDBM45943 Nc1nc(Cc2cccc(Br)c2)n(n1)-c1ccccc1
BDBM45944 Nc1nc(Cc2ccc3ccccc3c2)n(n1)-c1ccccc1
BDBM45945 COc1cc(CCc2nc(N)nn2-c2ccccc2)cc(OC)c1OC
BDBM45946 COc1ccc(Cc2nc(N)nn2-c2ccccc2)cc1
BDBM46229 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
BDBM45947 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(Cl)cc1
BDBM45948 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(F)cc1
BDBM45949 COc1ccc(cc1)-c1n[nH]c2CC(C)(C)CC(=O)c12
BDBM46011 COc1ccc(F)cc1S(=O)(=O)Nc1ccc2ccccc2c1
BDBM46012 FC(F)(F)C1(NC(=O)Sc2ccccc2)Oc2ccccc2O1
BDBM46013 CCCCN(C)C(=O)NC1(Oc2ccccc2O1)C(F)(F)F
BDBM46014 FC(F)(F)C1(NC(=O)c2ccc(Cl)cc2)Oc2ccccc2O1
BDBM46015 ClC(Cl)(Cl)C1(NC(=O)OCN2C(=O)C3C=CC=CC3C2=O)Oc2ccccc2O1 |c:14,16|
BDBM46017 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1
BDBM46018 Cc1cc(C)c2c(n1)nc(SCC(=O)c1ccc(O)c(O)c1)[nH]c2=O
BDBM46019 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccncc1
BDBM46020 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccco1
BDBM46021 Cc1cccc(c1)-c1nc2CCCCc2c(SCC(=O)c2ccc(O)c(O)c2)n1
BDBM46022 Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
BDBM46023 NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
BDBM46024 COc1ccc(cc1OC)C(=O)CSc1nc2cc(C)c(C)cc2[nH]1
BDBM46025 CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1
BDBM46040 Nc1ccc2OC3(CCCC3)Oc2c1
BDBM46041 CC(C)NCC(=O)c1ccc(O)c(O)c1
BDBM46080 CCCCN1C(=O)C(=NNc2ccccc2)c2ccccc12 |w:8.8|
BDBM46081 CCCCN1C(=O)C(=NNc2ccccc2F)c2ccccc12 |w:8.8|
BDBM45950 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccc(Br)c1
BDBM45951 Cc1[nH]nc2CC(CC(=O)c12)c1ccc(F)cc1
BDBM45952 CCN(CC)C(=O)CSc1nnc([nH]1)-c1ccccc1OC
BDBM46026 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3OCOc3c2)n1
BDBM46042 Oc1ccc(cc1O)C(=O)CNC1CCCCC1
BDBM46045 Cc1cc(C)nc(SCC(=O)c2ccc3OCOc3c2)n1
BDBM46046 COc1cc(ccc1O)C(=O)CSc1nc(C)cc(C)n1
BDBM46082 CCCCN1C(=O)C(=NNc2ccccc2OC)c2ccccc12 |w:8.8|
BDBM46083 CCCCN1C(=O)C(=NNc2ccccc2C(F)(F)F)c2ccccc12 |w:8.8|
BDBM46084 CCCCN1C(=O)C(=NNc2ccccc2C)c2ccccc12 |w:8.8|
BDBM45953 O=C1CC(Cc2[nH]ncc12)c1ccccc1
BDBM45954 OCCSc1nnc([nH]1)-c1ccccc1
BDBM45955 COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
BDBM45956 Cn1ncc2c1ncn1c(nnc21)-c1ccc(Cl)cc1Cl
BDBM45957 COc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1
BDBM46047 Cc1nc(Br)cn1CC(=O)c1ccc(O)c(O)c1
BDBM46085 CCCCN1C(=O)C(=NNc2ccccc2Cl)c2ccccc12 |w:8.8|
BDBM46048 Oc1ccc(cc1O)C(=O)Cn1cnc(Br)c1
BDBM46049 Oc1ccc(cc1O)C(=O)Cn1ccnc1-c1ccccc1
BDBM46050 Oc1ccc(cc1O)C(=O)CNc1nc2ccccc2[nH]1
BDBM46088 Cc1cc(NCC(=O)c2ccc(O)c(O)c2)[nH]n1
BDBM46089 Cn1c(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc12
BDBM46090 Cn1ccnc1SCC(=O)c1ccc(O)c(O)c1
BDBM45913 Fc1cccc2C(=O)N(C(=O)c12)c1nnc(Cc2ccccc2)[nH]1
BDBM45958 CCCc1[nH]nc2CC(C)(C)CC(=O)c12
BDBM45959 COc1ccccc1-c1nnc(SCc2cccc(Br)c2)[nH]1
BDBM45960 COc1ccccc1-c1nnc(SCc2ccc(cc2)C(O)=O)[nH]1
BDBM45961 COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
BDBM45962 Cn1ncc2c1ncn1c(nnc21)-c1ccccc1
BDBM45963 COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
BDBM45964 COc1ccccc1-c1nnc(SCc2ccccc2F)[nH]1
BDBM45965 COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)[nH]1
BDBM45966 Fc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
BDBM45967 Cc1cccc(C)c1OCc1nnc2c3cnn(-c4ccccc4)c3ncn12
BDBM46051 Oc1ccc(cc1O)C(=O)Cn1cnnc1
BDBM46052 Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C
BDBM46053 Cc1cn(CC(=O)c2ccc(O)c(O)c2)cn1
BDBM46054 Oc1ccc(cc1O)C(=O)CN1CCCc2ccccc12
BDBM46091 Cc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)n1
BDBM46092 CCN(CC)c1ccc(cc1)C(=O)CSc1nc(C)cc(C)n1
BDBM46093 Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)o1
BDBM45968 Clc1ccccc1-c1nnc2c3cnn(-c4ccccc4)c3ncn12
BDBM45969 Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1
BDBM45970 COc1ccc(cc1)-c1nc2c3cnn(C)c3ncn2n1
BDBM46055 Oc1ccc(cc1O)C(=O)Cn1cnnn1
BDBM46056 Oc1ccc(cc1O)C(=O)CN1CCCCC1
BDBM46094 Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1
BDBM46095 Oc1ccc(CCNC(=O)C2CCCO2)cc1O
BDBM44110 Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
BDBM44413 COC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
BDBM44422 CC1(C)Cc2n[nH]c(Cc3ccccc3)c2C(=O)C1
BDBM48826 CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
BDBM48868 CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
BDBM46434 O=C1N(Cc2ccccc2)c2ccccc2C11NNc2ccccc2O1
BDBM46435 CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
BDBM46436 Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
BDBM46429 CCCCCCCCCCSc1nnc(NC(C)=O)[nH]1
BDBM46430 COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F
BDBM46609 O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
BDBM46431 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2cc(Cl)c(Cl)cc2O1
BDBM46432 NC1(Oc2cc(Cl)c(Cl)cc2O1)C(Cl)(Cl)Cl
BDBM46433 [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
BDBM51017 CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
BDBM51349 COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
BDBM50993 CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
BDBM50210 Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O |w:10.10|
BDBM50304 [O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
BDBM50201 NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
BDBM50570 OCCC(=O)c1ccc(O)cc1
BDBM50578 OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
BDBM50648 O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
BDBM50684 Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
BDBM50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
BDBM50656 Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50703 CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
BDBM50704 Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
BDBM50710 Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
BDBM50727 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
BDBM50729 O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
BDBM50629 Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50489 Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
BDBM50634 OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50606 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
BDBM49122 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
BDBM49145 CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
BDBM49612 CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
BDBM53353 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
BDBM52378 Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|
BDBM52332 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1 |w:7.7|
BDBM52228 COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM52705 Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
BDBM52555 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
BDBM52920 CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
BDBM53069 Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
BDBM53221 Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1 |w:7.6|
BDBM52712 Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O
BDBM53121 COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
BDBM53236 CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
BDBM53127 OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
BDBM53091 Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
BDBM53340 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1
BDBM52942 Oc1ccc(CCN2C(=O)CNC2=S)cc1O
BDBM53205 O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|
BDBM52773 CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
BDBM52946 OC(=O)Cc1ccc(O)c(O)c1
BDBM53139 OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
BDBM52817 OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM52820 CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
BDBM52992 Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
BDBM53180 Oc1cc(cc(O)c1O)C(=O)NN=Cc1cccnc1
BDBM51790 Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
BDBM51928 CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
BDBM54641 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
BDBM55150 Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
BDBM53907 Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
BDBM54140 O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
BDBM53894 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
BDBM53898 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM57954 FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1
BDBM57870 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
BDBM57356 Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
BDBM57462 Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
BDBM57483 CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
BDBM57406 Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
BDBM57432 Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
BDBM60983 COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
BDBM60859 Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
BDBM60707 CN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:12.13,1.0|
BDBM60881 Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|
BDBM60889 OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
BDBM60895 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
BDBM60205 Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
BDBM60729 Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|
BDBM60597 Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
BDBM60915 Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
BDBM60796 Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
BDBM60944 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 |c:5,10|
BDBM60945 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10|
BDBM60948 OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
BDBM60950 CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
BDBM60951 O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
BDBM60955 OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
BDBM60836 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
BDBM60497 CC1NON=C1C(=O)NN=CC1=CC(=O)C(=O)C=C1 |w:9.9,c:4,18,t:12|
BDBM60673 Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O |w:6.6|
BDBM60675 NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
BDBM60858 Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
BDBM59281 CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
BDBM59294 CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2cccc(OC)c2)c1
BDBM59309 CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
BDBM59317 [H]C12CCCC([H])(CC(C1)NC(=S)NCc1ccccc1)N2Cc1ccc(C)cc1
BDBM59326 Cc1ccc(NC(N)=Nc2nc(C)cc(n2)N2CCCCC2)c(C)c1 |w:8.8|
BDBM59274 CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
BDBM58625 Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
BDBM58504 Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:15.16|
BDBM58701 CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
BDBM58703 Cc1ccc(CNC(=S)NC2CCC(CC2)C(C)(C)C)cc1 |(4.41,-8.47,;4.41,-6.93,;3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,6.93,;7.08,8.47,;8.62,6.93,;5.54,6.93,;5.75,-4.62,;5.75,-6.16,)|
BDBM62366 Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM61867 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
BDBM61877 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
BDBM61881 CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
BDBM61884 Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
BDBM61892 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
BDBM61893 COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
BDBM61326 Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
BDBM61242 Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1 |w:18.18|
BDBM61185 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
BDBM61305 COc1cc(OC)c2C(=O)CC(Oc2c1O)c1ccccc1
BDBM66136 Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
BDBM64222 CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
BDBM64368 COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
BDBM64586 Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O |w:13.15|
BDBM64296 CCn1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c(C)n1
BDBM65665 Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
BDBM65353 CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1 |w:8.8|
BDBM65711 CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1 |w:10.10|
BDBM65289 Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
BDBM65301 NNC(=O)c1cc(O)c(O)c(O)c1
BDBM63549 CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
BDBM63469 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
BDBM68124 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1
BDBM67326 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
BDBM67333 CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
BDBM66779 COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
BDBM71291 Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
BDBM69514 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NNC1=c2ccccc2=NC1=O |c:16,23|
BDBM69266 CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|
BDBM69390 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
BDBM69393 Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1
BDBM76154 Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1 |w:4.3,c:8|
BDBM76155 Nc1cc2nc3ccccc3oc2cc1=O
BDBM76188 Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
BDBM76189 Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
BDBM76190 Oc1ccc(cc1-c1ccc(\C=C2/C(=O)NN(C2=O)c2cccc(Br)c2)o1)[N+]([O-])=O
BDBM76191 Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
BDBM76192 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
BDBM76156 Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1
BDBM76157 CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
BDBM76158 Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
BDBM76159 Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
BDBM76160 COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
BDBM76161 Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM76162 [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
BDBM76163 [H][C@@]12[C@@H](O)[C@@]3([H])[C@]4([H])[C@H](O)[C@@]([H])(C(=O)C5=C(O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(O)=C1C2=O |wU:1.0,wD:2.2,8.8,6.6,4.4,28.28,29.34,10.10,c:14,48,TLB:9:8:4.29:28.14.12,30:29:6.28:2,26:28:2:29.43.44,41:43:6.28:2,THB:10:29:6.28:2,8:6:2:29.43.44,45:44:6.28:2,14:28:2:29.43.44,(10.29,-2.42,;9.31,-1.56,;9.97,-.18,;11.5,-.06,;9.1,1.08,;7.86,.67,;8.62,-.39,;9.63,.45,;7.08,-.39,;6.92,-1.92,;6.61,1.08,;5.36,1.48,;5.66,-.12,;4.14,.08,;6.26,-1.52,;5.33,-2.8,;3.8,-2.65,;5.98,-4.25,;5.15,-5.49,;3.62,-5.38,;5.79,-6.84,;7.28,-6.97,;7.92,-8.37,;8.16,-5.76,;9.69,-5.93,;7.56,-4.39,;8.47,-3.09,;9.74,-3.96,;7.78,-1.66,;7.85,1.98,;9.19,2.75,;10.52,1.98,;9.19,4.29,;10.59,5.07,;11.91,4.29,;10.6,6.67,;11.94,7.44,;9.21,7.48,;7.83,6.66,;6.49,7.42,;7.85,5.06,;6.52,4.29,;5.19,5.06,;6.52,2.75,;6.67,-.21,;5.38,-1.04,)|
BDBM76164 Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
BDBM76165 CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1 |w:11.11|
BDBM76166 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(C)c1)N2Cc1ccc(OC)cc1
BDBM76193 COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
BDBM76195 CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
BDBM76196 C[N+](C)(C)C(Cc1ccccc1)C([O-])=O
BDBM76197 COc1cc(ccc1O)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
BDBM76198 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-c3cc(-[#8])c(-[#8])cc3-c2c1-[#8]
BDBM76199 CCOC(=O)C1=C(C)N=c2s\c(=C/c3cccc(c3O)[N+]([O-])=O)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
BDBM76200 CC(C)(C)c1ccc(O)c(c1)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
BDBM76201 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
BDBM76202 CCOC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc12
BDBM76203 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1
BDBM76204 OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
BDBM76205 Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM76206 Oc1ccc(cc1O)C(=O)CN1CCN(CC1)c1ccccc1F
BDBM76207 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
BDBM76208 Cc1nn(CC=C)cc1CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
BDBM76209 Cc1c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cnn1C
BDBM76210 CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
BDBM76211 Clc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
BDBM76212 COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
BDBM76213 COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
BDBM76214 Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
BDBM76215 O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
BDBM76216 COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
BDBM76217 COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
BDBM76218 CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
BDBM76219 O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1
BDBM76220 COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
BDBM76221 CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
BDBM76222 CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
BDBM76223 CCCn1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
BDBM76224 Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
BDBM76225 FC(F)Oc1ccc(NC(=S)NC2CCSc3ccccc23)cc1
BDBM76226 OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
BDBM76227 COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
BDBM76228 S=C(NCc1ccccc1)NC1CCSc2ccccc12
BDBM76229 COc1cc(C=NNC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1
BDBM76230 Cc1cc(Cn2nc(cc2C(=O)NCc2cccc(c2)C(F)(F)F)-c2ccccc2)on1
BDBM76231 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM76232 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
BDBM76168 Cc1cccnc1Nc1nc(cs1)-c1ccc(O)c(O)c1
BDBM76169 CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM76170 Clc1ccc(NC(=O)NC2CCCCC2Cc2ccco2)cc1
BDBM76171 CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
BDBM76172 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O)C(O)=O
BDBM76173 [H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
BDBM76174 COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1
BDBM76175 COc1cccc(c1)C(C)NC(=O)Nc1cccc(c1)C(F)(F)F
BDBM76176 Clc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
BDBM76177 COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
BDBM76178 CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2ccccc2)c1
BDBM76179 Oc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)c(O)c1
BDBM76180 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)o1
BDBM76181 Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
BDBM76182 Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
BDBM76183 Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
BDBM76233 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1
BDBM76167 O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N1CCCCC1
BDBM76234 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM76235 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM76236 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
BDBM76237 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
BDBM76238 Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
BDBM76239 Cc1cc(O)c(Sc2nnc[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1
BDBM76240 CCCCCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccncc1
BDBM76241 Oc1ccc(cc1O)C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c2c2CCCCCn12
BDBM76242 [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
BDBM76243 CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
BDBM76244 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1
BDBM76245 C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
BDBM76246 CCc1cc(Cn2nc(cc2C(=O)NCc2cccc(Br)c2)-c2ccccc2)on1
BDBM76247 O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
BDBM76248 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
BDBM76153 COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
BDBM76184 NS(=O)(=O)c1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:11.12|
BDBM76185 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(F)c1)N2Cc1ccc(C)cc1
BDBM76186 NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
BDBM76187 CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
BDBM76249 [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccccc2)s1
BDBM76250 NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1
BDBM76251 O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
BDBM75309 CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM75621 Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
BDBM75622 CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
BDBM75623 CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
BDBM75679 COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
BDBM75681 Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
BDBM75682 Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1 |w:9.10|
BDBM75683 CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1 |(3.08,-2.31,;4.41,-3.08,;5.75,-2.31,;5.75,-.77,;4.41,,;7.08,,;7.08,1.54,;5.75,2.31,;5.75,3.85,;7.08,4.62,;8.41,3.85,;8.41,2.31,;7.08,6.16,;7.08,7.7,;8.62,6.16,;5.54,6.16,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;5.75,-6.93,;5.75,-5.39,)|
BDBM75624 Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1 |w:8.8|
BDBM75625 CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
BDBM75626 CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
BDBM75627 Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
BDBM75686 COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
BDBM75688 Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
BDBM75689 O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
BDBM75692 Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
BDBM75630 CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O |w:3.2|
BDBM75744 CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
BDBM75745 [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]
BDBM75749 Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
BDBM75634 COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
BDBM75635 CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
BDBM75639 CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
BDBM75640 CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1 |w:15.14|
BDBM75739 Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
BDBM75694 CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
BDBM75695 Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
BDBM75696 CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
BDBM75697 Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
BDBM75698 CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM75677 Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
BDBM75790 COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
BDBM75610 O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
BDBM75647 CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
BDBM75648 CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O |w:7.7,14.13|
BDBM75684 Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
BDBM75756 Oc1ccccc1\C=C\C(=O)c1ccco1
BDBM75758 CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |w:3.3|
BDBM75761 OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
BDBM75772 Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
BDBM75613 CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
BDBM75614 Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
BDBM75654 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
BDBM75700 CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
BDBM75701 Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
BDBM75702 C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
BDBM75703 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
BDBM75704 O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
BDBM75705 CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
BDBM75706 COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
BDBM75759 CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
BDBM75760 CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
BDBM75655 COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
BDBM75656 ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
BDBM75657 COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
BDBM75658 OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
BDBM75659 COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1 |w:9.9|
BDBM75660 Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
BDBM75661 Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
BDBM75662 COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
BDBM75663 Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
BDBM75664 COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
BDBM75665 CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
BDBM75668 O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
BDBM75669 Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O |w:14.15|
BDBM75670 COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
BDBM75671 COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
BDBM75672 Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
BDBM75674 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
BDBM75675 Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
BDBM75676 CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
BDBM74492 Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
BDBM50020876 CCCCc1cc2c(O)cc(nc2c2c(O)cc(nc12)C(O)=O)C(O)=O
BDBM50027326 Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50068618 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2s1
BDBM50068635 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2o1
BDBM50068636 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2[nH]1
BDBM50080274 OP(O)(=O)Cc1ccccc1
BDBM50085551 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
BDBM50131860 OC(=O)CCCCCP(O)(O)=O
BDBM50131861 OP(O)(=S)Cc1ccccc1
BDBM50131862 CP(O)(O)=O
BDBM50131863 OP(O)(=S)CSc1ccccc1
BDBM50131864 CCCP(O)(O)=O
BDBM50131865 COC(=O)CCCCCP(O)(O)=S
BDBM50131866 OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
BDBM50131867 OC(=O)CCCCCP(O)(O)=S
BDBM50131868 OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
BDBM50131869 CP(O)(O)=S
BDBM50131870 CCCCP(O)(O)=S
BDBM50131871 CSCP(O)(O)=S
BDBM50163744 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
BDBM50237953 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C
BDBM50237956 COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
BDBM50252093 Oc1ccc2sc(=O)oc2c1
BDBM50242280 O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50241354 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50263183 Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
BDBM50254369 CC(C)(C)NC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254411 OCCNC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM50254412 CN(C)C(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM50254413 CC(C)NC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
BDBM50254414 NNC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254370 CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254371 CCN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254372 OCCN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254373 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCOCC2)c(Cl)c1
BDBM50254374 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCCCC2)c(Cl)c1
BDBM50254315 OC(=O)c1cc(n[nH]1)-c1ccccc1Cl
BDBM50254316 COC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254318 O=C(N1CCCC1)c1[nH]nc-2c1COc1ccccc-21
BDBM50253622 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
BDBM50254319 OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254320 CC(C)NC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50254321 CN(C)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
BDBM50247257 CN1C(=S)S\C(C1=O)=C1/C=Cc2ccccc2N1CCCS(O)(=O)=O |c:10|
BDBM50248691 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|
BDBM50269745 CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
BDBM50296456 COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
BDBM50296457 COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
BDBM50296465 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
BDBM50303376 Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C
BDBM50299524 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccnc1
BDBM50299525 COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
BDBM50299526 CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1
BDBM50299537 COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
BDBM50309564 Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1
BDBM50309565 Cc1cnn(CC(=O)c2ccc(O)c(O)c2)c1
BDBM50299534 COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1
BDBM50299535 COc1ccc(C)cc1S(=O)(=O)Nc1cnc2ccccc2c1
BDBM50299523 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
BDBM50309567 COc1ccc2C(CC(=O)c3ccc(O)c(O)c3)OC(=O)c2c1OC
BDBM50309570 Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1
BDBM50309563 COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
BDBM50309578 Cc1cc(C)nc(NCc2ccc(O)c(O)c2)n1
BDBM50309579 Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2)n1
BDBM50309580 Cc1cc(C)nc(SCC(=O)c2cccc(O)c2)n1
BDBM50309583 COc1ccc(cc1)C(=O)CSc1nc(C)cc(C)n1
BDBM50309584 Cc1cc(oc1C)C(=O)NCc1ccc(O)c(O)c1
BDBM50309585 Cc1cc(oc1C)C(=O)NCCc1ccc(O)c(O)c1
BDBM50309586 Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
BDBM50316574 OC(=O)CNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
BDBM50331546 Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
BDBM50404878 COc1cc2nc3ccc(cn3c(=O)c2cc1OC)-c1nnn[nH]1
BDBM50404879 OC(=O)c1ccn2c(c1)nc1ccccc1c2=O
BDBM50404861 COc1ccc2nc3ccc(cn3c(=O)c2c1)C(O)=O
BDBM50404862 OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O
BDBM50404863 OC(=O)C1=CN2CC3=C(CCCC3)N=C2C=C1 |c:14,17,t:3,7|
BDBM50404864 COc1cc2nc3ccc(cn3c(=O)c2cc1OC)C(O)=O
BDBM50404865 O=c1c2cc3ccccc3cc2nc2ccc(cn12)-c1nnn[nH]1
BDBM50404866 OC(=O)c1ccc2nc3cc(O)c(O)cc3c(=O)n2c1
BDBM50404867 Cc1ccc2nc3ccc(cn3c(=O)c2c1)C(O)=O
BDBM50404868 Cc1ccc2nc3ccc(cn3c(=O)c2c1)-c1nnn[nH]1
BDBM50404869 OC(=O)c1ccc2nccc(=O)n2c1
BDBM50404870 OC(=O)c1ccc2nc3ccc(O)cc3c(=O)n2c1
BDBM50404871 OC(=O)c1ccc2nc3cc4ccccc4cc3c(=O)n2c1
BDBM50404872 O=c1c2cc3OCOc3cc2nc2ccc(cn12)-c1nnn[nH]1
BDBM50404873 OC(=O)c1ccc2nc3ccccc3c(=O)n2c1
BDBM50404874 OC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
BDBM50404875 COc1ccc2c(c1)nc1ccc(cn1c2=O)-c1nnn[nH]1
BDBM50404876 O=c1c2ccccc2nc2ccc(cn12)-c1nnn[nH]1
BDBM50404877 COc1ccc2nc3ccc(cn3c(=O)c2c1)-c1nnn[nH]1