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2810 SMILES Strings for Amine oxidase [flavin-containing] B

Compound NameSMILES String
BDBM15581 CN(CCCOc1ccc(Cl)cc1Cl)CC#C
BDBM101302 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
BDBM151611 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
BDBM151605 Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
BDBM151617 CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
BDBM151623 C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
BDBM151625 N[C@@H]1CC1c1ccccc1 |r|
BDBM150764 O=c1cc(oc2ccccc12)-c1ccc2ccccc2c1
BDBM150765 O=c1cc(oc2ccccc12)-c1c2ccccc2cc2ccccc12
BDBM150766 O=c1cc(oc2ccccc12)-c1cccs1
BDBM150767 O=c1cc(oc2ccccc12)-c1cccnc1
BDBM150756 Clc1ccccc1-c1cc(=O)c2ccccc2o1
BDBM150757 Clc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM150758 Oc1ccccc1-c1cc(=O)c2ccccc2o1
BDBM150759 COc1ccccc1-c1cc(=O)c2ccccc2o1
BDBM150760 COc1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM150761 O=c1cc(oc2ccccc12)-c1ccc(cc1)C#N
BDBM150762 Brc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM150763 O=c1cc(oc2ccccc12)-c1cccc2ccccc12
BDBM152637 COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
BDBM152633 COc1ccc(cc1)C(=O)\C=C\c1ccccc1F
BDBM152634 COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1
BDBM152635 COc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
BDBM152636 COc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
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
BDBM153458 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl |r|
BDBM153459 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F |r|
BDBM153460 COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 |r|
BDBM153461 C(N[C@H]1CC1c1ccccc1)c1cccc2OCCCOc12 |r|
BDBM153437 COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153438 COc1cncc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153439 COc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153440 C(N[C@H]1CC1c1ccccc1)C1C=Nc2ccccc12 |r,c:14|
BDBM153416 C(N[C@H]1CC1c1ccccc1)c1ccccn1 |r|
BDBM153417 C(N[C@H]1CC1c1ccccc1)c1cccnc1 |r|
BDBM153418 C(N[C@H]1CC1c1ccccc1)c1ccncc1 |r|
BDBM153419 Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153420 C(N[C@H]1CC1c1ccccc1)c1nccs1 |r|
BDBM153441 N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153442 COc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153443 Nc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153444 Clc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153462 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCCOc2c1 |r|
BDBM153463 CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 |r|
BDBM153464 COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C |r|
BDBM153465 COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C |r|
BDBM153422 [Cl-].Fc1cccc(C[NH2+][C@H]2CC2c2ccccc2)c1 |r|
BDBM153423 Fc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153424 COc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153445 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC |r|
BDBM153446 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCc2c1 |r|
BDBM153425 FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153426 Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153447 C(N[C@H]1CC1c1ccccc1)c1ccc2OCOc2c1 |r|
BDBM153427 Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153428 COc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153430 Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153448 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
BDBM153449 COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
BDBM153431 COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
BDBM153451 COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153432 Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
BDBM153452 COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
BDBM153453 COc1ccc(CN[C@H]2CC2c2ccccc2)c2ccccc12 |r|
BDBM153433 C(N[C@H]1CC1c1ccccc1)c1ccc2ccccc2n1 |r|
BDBM153434 FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 |r|
BDBM153454 COc1cccc(F)c1CN[C@H]1CC1c1ccccc1 |r|
BDBM153455 COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1 |r|
BDBM153413 [Cl-].Fc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153435 Fc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153436 C(N[C@H]1CC1c1ccccc1)c1cnc2ccccc2c1 |r|
BDBM153456 COc1ccc2c(OC)ccc(CN[C@H]3CC3c3ccccc3)c2c1 |r|
BDBM153457 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C |r|
BDBM153414 [Cl-].N#Cc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153415 [Cl-].FC(F)(F)c1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153468 COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC |r|
BDBM153469 C(N[C@H]1CC1c1ccccc1)c1ccc2[nH]ccc2c1 |r|
BDBM153470 C(N[C@H]1CC1c1ccc(OCc2ccccc2)cc1)c1ccccn1 |r|
BDBM153471 COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
BDBM153474 CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
BDBM153475 COc1ccc(CC(C)N[C@H]2CC2c2ccccc2)cc1OC |r|
BDBM153476 Cc1noc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM8960 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM153690 Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
BDBM153691 Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1
BDBM153692 Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153693 Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153694 Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153695 Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1
BDBM153696 Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153697 OP(O)(=O)OCn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153684 COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1
BDBM153685 Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153686 Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
BDBM153687 Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153688 Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153689 Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153271 Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
BDBM10774 CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
BDBM10888 NS(=O)(=O)Cc1noc2ccccc12
BDBM10826 CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
BDBM10750 CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM10992 CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C |r|
BDBM10993 CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)NCC#C |r|
BDBM10994 Oc1cccc2[C@@H](CCc12)NCC#C |r|
BDBM10995 CN[C@@H]1CCc2ccccc12 |r|
BDBM10996 CN[C@H]1CCc2ccccc12 |r|
BDBM10997 N[C@@H]1CCc2ccccc12 |r|
BDBM10998 N[C@H]1CCc2ccccc12 |r|
BDBM11000 C#CCN[C@H]1CCc2ccccc12 |r|
BDBM11002 CN(CC#C)[C@@H]1CCc2ccccc12 |r|
BDBM10989 C#CCN[C@@H]1CCc2ccccc12 |r|
BDBM11018 CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O
BDBM11020 C(\C=C\Cc1ccccc1)c1ccccc1
BDBM11021 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
BDBM11022 O=C1Nc2ccccc2C1=O
BDBM10799 Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
BDBM15613 Clc1ccc(cc1)C(=O)NCCN1CCOCC1
BDBM19187 [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
BDBM19188 CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM19189 Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1
BDBM19163 Cc1cc2C(=O)c3ccccc3-c2nn1
BDBM19164 O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
BDBM173326 CC(C)(O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1
BDBM23543 O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
BDBM21618 COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM24776 O=C1C=CC(=O)c2ccccc12 |c:2|
BDBM24778 CC1=CC(=O)c2ccccc2C1=O |t:1|
BDBM24783 O=c1ccoc2ccccc12
BDBM26645 OC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1|
BDBM26646 OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
BDBM29137 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c(-[#8])c1
BDBM29138 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#6])cc2)c(-[#8])c1
BDBM29139 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1
BDBM29141 COc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
BDBM28681 CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
BDBM29134 Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
BDBM29136 CC(C)NNC(=O)c1ccncc1
BDBM29140 COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM29142 COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
BDBM29143 O=C(\C=C\c1ccccc1)c1ccccc1
BDBM29144 Oc1ccccc1C(=O)\C=C\c1ccc(Cl)cc1
BDBM29145 Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM29146 Oc1cc(F)ccc1C(=O)\C=C\c1ccc(Cl)cc1
BDBM29147 Fc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
BDBM29148 CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM29149 [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])cc1
BDBM29150 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]-c3ccccc3)cc2)c(-[#8])c1
BDBM29151 Clc1ccc(\C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cc1
BDBM29152 O=C(NC1CCCCC1)c1cc2ccccc2oc1=O
BDBM29153 CC(C)NC(=O)c1cc2ccccc2oc1=O
BDBM29154 CC(C)CNC(=O)c1cc2ccccc2oc1=O
BDBM29155 O=C(NCC#C)c1cc2ccccc2oc1=O
BDBM29156 NCCNC(=O)c1cc2ccccc2oc1=O
BDBM29157 O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O
BDBM29158 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29159 COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29160 Fc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29161 FC(F)(F)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29162 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29163 CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29164 CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29165 CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29166 COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29167 CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29168 Fc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29169 OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29170 ClC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29171 CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29172 Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
BDBM29173 Cc1cccc(Cl)c1NC(=O)c1cc2ccccc2oc1=O
BDBM29174 Cc1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29175 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1
BDBM29176 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1C
BDBM29177 Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
BDBM29178 Fc1cccc(F)c1NC(=O)c1cc2ccccc2oc1=O
BDBM29179 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
BDBM29180 COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC
BDBM29181 Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM29182 COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
BDBM29183 Fc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F
BDBM29184 Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccccc2oc1=O
BDBM29185 Fc1nc(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c1F
BDBM29186 O=C(NCc1ccccc1)c1cc2ccccc2oc1=O
BDBM29187 O=C(NCCc1ccccc1)c1cc2ccccc2oc1=O
BDBM29188 CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
BDBM29189 CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O
BDBM29190 O=C(N(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
BDBM29191 O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29192 CC(C)NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29193 CC(C)CNC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29194 CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
BDBM29195 Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29196 O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29197 Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29198 COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1OC
BDBM29199 COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1
BDBM29200 O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29201 O=C(NNc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM29202 Fc1ccc(COc2ccc3cc(C(=O)Nc4c(F)c(F)c(C#N)c(F)c4F)c(=O)oc3c2)cc1
BDBM29203 Fc1ccc(COc2ccc3cc(C(=O)Nc4ccccc4Cc4ccccc4)c(=O)oc3c2)cc1
BDBM29204 Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
BDBM29205 COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC
BDBM29206 COc1cc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc(OC)c1
BDBM29207 CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1
BDBM29208 CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
BDBM29209 COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)c(C)c3oc2=O)cc1OC
BDBM36478 O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccccc1
BDBM36479 CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
BDBM36480 CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCCc3c(=O)oc2c1
BDBM36481 Clc1cc(ccc1OC(=O)CNC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
BDBM36482 CC(C)(C)OC(=O)NCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
BDBM36551 CN(CC#C)Cc1ccc(O)c2ncccc12
BDBM34674 Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM39862 CC(Cc1ccccc1)N(C)CC#C
BDBM43878 Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1 |w:12.12|
BDBM49760 Oc1cccc(NC(=O)\C=C\c2ccccc2Cl)c1
BDBM49448 COc1ccc(NC(=O)N2CCc3ccccc23)cc1
BDBM74900 COc1ccc2cc(C(C)=O)c(=O)oc2c1
BDBM77817 Clc1ccccc1\C=C\C(=O)Nc1ccccc1
BDBM76662 Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM81646 C1CC(=NN1c1ccccc1)c1ccccc1 |c:2|
BDBM81647 Clc1ccccc1C1=NN(CC1)c1ccccc1 |t:8|
BDBM81648 Clc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
BDBM81649 Brc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
BDBM81650 Cc1cccc(c1)C1=NN(CC1)c1ccccc1 |t:8|
BDBM81637 CC(=O)N1N=C(CC1c1ccccc1)c1c(O)cccc1O |c:4|
BDBM81638 CC(=O)N1N=C(CC1c1ccccc1C)c1c(O)cccc1O |c:4|
BDBM81639 CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:4|
BDBM81640 CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(O)cccc1O |c:4|
BDBM81641 COc1ccc(cc1)C1CC(=NN1C(C)=O)c1c(O)cccc1O |c:11|
BDBM81642 COc1ccc(C2CC(=NN2C(C)=O)c2ccccc2)c(OC)c1 |c:8|
BDBM81643 COc1ccc(C2CC(=NN2C(C)=O)c2ccccc2O)c(OC)c1 |c:8|
BDBM81644 COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2O)c(OC)c1 |c:8|
BDBM81645 COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccccc1O |c:13|
BDBM81651 Oc1ccccc1C1=NN(CC1)c1ccccc1 |t:8|
BDBM81652 COc1cccc(c1)C1=NN(CC1)c1ccccc1 |t:9|
BDBM81653 COc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:9|
BDBM81654 O=N(=O)c1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:10|
BDBM81655 COc1ccc(C2=NN(CC2)c2ccccc2)c(OC)c1 |t:6|
BDBM81656 COc1ccc(cc1OC)C1=NN(CC1)c1ccccc1 |t:11|
BDBM81657 CC(=O)N1CCC(=N1)c1ccccc1 |c:6|
BDBM81658 CC(=O)N1CCC(=N1)c1ccc(C)cc1 |c:6|
BDBM81659 CC(=O)N1CCC(=N1)c1ccc(Cl)cc1 |c:6|
BDBM81660 CC(=O)N1CCC(=N1)c1ccc(Br)cc1 |c:6|
BDBM81661 COc1ccc(cc1)C1=NN(CC1)C(C)=O |t:9|
BDBM81662 COc1cccc(c1)C1=NN(CC1)C(C)=O |t:9|
BDBM81663 COc1ccccc1C1=NN(CC1)C(C)=O |t:9|
BDBM81664 COc1ccc(C2=NN(CC2)C(C)=O)c(OC)c1 |t:6|
BDBM81665 CC(=O)N1CCC(=N1)c1ccccc1N(=O)=O |c:6|
BDBM81666 CC(=O)N1CCC(=N1)c1ccc(O)cc1 |c:6|
BDBM81667 CC(=O)N1CCC(=N1)c1ccc(O)cc1O |c:6|
BDBM81668 CC(=O)N1CCC(=N1)c1ccc(O)c(O)c1O |c:6|
BDBM81669 CC(=O)N1CCC(=N1)c1ccccc1O |c:6|
BDBM85213 [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
BDBM86788 N#Cc1ccc(OCCOc2ccccc2)cc1
BDBM86789 C(Oc1ccccc1)c1ccccc1
BDBM86790 C(Oc1ccccc1)\C=C\c1ccccc1
BDBM86791 Brc1ccc(COc2ccccc2)cc1
BDBM86792 Brc1ccc(CCOc2ccccc2)cc1
BDBM86772 N#Cc1ccc(Oc2ccccc2)cc1C#N
BDBM86773 N#Cc1ccc(OCc2ccccc2)cc1C#N
BDBM86774 N#Cc1ccc(OCCc2ccccc2)cc1C#N
BDBM86775 N#Cc1ccc(OCCCc2ccccc2)cc1C#N
BDBM86776 N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
BDBM86777 N#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N
BDBM86778 Brc1ccc(Oc2ccc(C#N)c(c2)C#N)cc1
BDBM86779 Brc1ccc(COc2ccc(C#N)c(c2)C#N)cc1
BDBM86780 Brc1ccc(CCOc2ccc(C#N)c(c2)C#N)cc1
BDBM86781 N#Cc1ccc(OCc2ccccc2)cc1
BDBM86782 N#Cc1cccc(OCc2ccccc2)c1
BDBM86783 N#Cc1ccc(OC\C=C\c2ccccc2)cc1
BDBM86784 N#Cc1cccc(OC\C=C\c2ccccc2)c1
BDBM86785 Brc1ccc(Oc2ccc(cc2)C#N)cc1
BDBM86786 Brc1ccc(COc2cccc(c2)C#N)cc1
BDBM86787 Brc1ccc(CCOc2ccc(cc2)C#N)cc1
BDBM89881 O=C(CCN1CCCCC1)c1ccc2OCOc2c1
BDBM92981 C[n+]1ccc(CCc2ccccc2)cc1
BDBM92982 C[n+]1ccc(Cc2ccccc2F)cc1
BDBM92983 C[n+]1ccc(Cc2cccc3ccccc23)cc1
BDBM92650 O=c1ccoc2cc(OCc3ccccc3)ccc12
BDBM92963 CN(CC#C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)cc1
BDBM92651 O=c1ccoc2cc(OCCc3ccccc3)ccc12
BDBM92653 Clc1cccc(COc2ccc3c(c2)occc3=O)c1
BDBM92654 Clc1ccc(COc2ccc3c(c2)occc3=O)cc1
BDBM92655 Brc1cccc(COc2ccc3c(c2)occc3=O)c1
BDBM92656 Brc1ccc(COc2ccc3c(c2)occc3=O)cc1
BDBM92657 Fc1cccc(COc2ccc3c(c2)occc3=O)c1
BDBM92658 Fc1ccc(COc2ccc3c(c2)occc3=O)cc1
BDBM92659 Cc1cccc(COc2ccc3c(c2)occc3=O)c1
BDBM92660 Cc1ccc(COc2ccc3c(c2)occc3=O)cc1
BDBM92661 O=c1ccoc2cc(OCc3cccc(c3)C#N)ccc12
BDBM92662 O=c1ccoc2cc(OCc3ccc(cc3)C#N)ccc12
BDBM92663 FC(F)(F)c1ccc(COc2ccc3c(c2)occc3=O)cc1
BDBM92664 Brc1ccc(CCOc2ccc3c(c2)occc3=O)cc1
BDBM92652 O=c1ccoc2cc(OCCCc3ccccc3)ccc12
BDBM96963 O=C1\C(Cc2ccccc12)=C\c1ccco1
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM101253 Fc1ccc(NC(=O)CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
BDBM101250 CC(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
BDBM101251 CC(C)(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
BDBM101252 O=C(CN[C@H]1CC1c1ccccc1)N1CCOCC1 |r|
BDBM101258 CN(C)CCNC(=O)CN[C@H]1CC1c1ccccc1 |r|
BDBM101292 COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101287 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM101246 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NC1CC1 |r|
BDBM101278 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
BDBM101280 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
BDBM101283 COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101256 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1 |r|
BDBM101300 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
BDBM101257 CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101265 CN(CC(N)=O)[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101303 COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101291 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM101284 COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101295 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
BDBM101254 CC(N[C@H]1C[C@@H]1c1ccccc1)C(N)=O |r|
BDBM101272 O=C(CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)NC1CC1 |r|
BDBM108060 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
BDBM108061 CC(C)C=C1C(=O)C(=O)c2ccccc2C1=O |w:3.2|
BDBM108062 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:17.18|
BDBM108063 NCCCN(CCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1 |w:9.9|
BDBM108064 [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17|
BDBM113077 c1cn(cn1)-c1ccc2nc(ccc2c1)-c1ccoc1
BDBM113058 c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1
BDBM113059 Cc1nccn1-c1ccc2nc(ncc2c1)-c1ccccc1
BDBM113061 Cc1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1
BDBM113062 Cc1cncn1-c1ccc2nc(ncc2c1)-c1ccccc1
BDBM113063 COc1ccc(cc1)-c1ncc2cc(ccc2n1)-n1cnc(C)c1
BDBM113064 COc1ccccc1-c1ncc2cc(ccc2n1)-n1cnc(C)c1
BDBM113066 Cc1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccc2OCOc2c1
BDBM113070 C1Oc2ccc(cc2O1)-c1ncc2cc(ccc2n1)-n1ccnc1
BDBM113071 c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccc2occc2c1
BDBM113072 C1COc2cc(ccc2O1)-c1ncc2cc(ccc2n1)-n1ccnc1
BDBM113073 C1Oc2ccc(cc2O1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113074 c1cn(cn1)-c1ccc2nc(ccc2c1)-c1ccccc1
BDBM113075 COc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113076 COc1ccccc1-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113078 Fc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113079 CN(C)c1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113080 FC(F)(F)Oc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113081 Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113082 CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
BDBM113742 NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
BDBM115180 c1ccc(cc1)\N=N\c1ccccc1
BDBM115181 CN(C)c1ccc(cc1)\N=N\c1ccccc1
BDBM118193 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
BDBM118194 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
BDBM118195 CC(C)(O)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118196 Cn1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118197 COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118198 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCCC1
BDBM118199 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(N)CCCCC1
BDBM118200 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
BDBM118201 OC1(CCCC1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118202 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
BDBM118203 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cccnc1
BDBM118204 COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(=O)(=O)C3CC3)cc1)c2=O
BDBM118205 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCC1
BDBM118206 CC(C)(C)OC(=O)N1CCC(CC1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118207 CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118208 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
BDBM118209 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1
BDBM118210 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
BDBM118211 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
BDBM118212 Cc1ncc(C#Cc2ccc3c(c2)occ(-c2ccc(NS(C)(=O)=O)cc2)c3=O)n1C
BDBM118213 CC(C)n1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118214 Cn1cnc(c1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118215 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CNC1
BDBM118216 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
BDBM118217 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCOCC1
BDBM118218 CC(C)CN1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118219 COCCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118220 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
BDBM118221 CN(C)CCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118222 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)CO
BDBM118223 CC1(O)CC(C1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O |(-6.69,8.43,;-5.89,7.12,;-5.08,8.43,;-6.98,6.03,;-5.89,4.94,;-4.8,6.03,;-5.89,3.4,;-7.22,2.63,;-4.55,2.63,;-4.15,1.14,;-2.67,1.54,;-3.07,3.03,;-1.33,.77,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;14.67,-3.85,;12.57,-3.29,;14.11,-5.95,;10.67,-3.08,;9.34,-2.31,;5.33,-3.08,;5.33,-4.62,)|
BDBM118224 CC(C)(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118225 CC1(COC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118226 CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118227 CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118228 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F
BDBM118229 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CCC1
BDBM118230 CC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118231 CC(C)(C)OC(=O)NC1(CCC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118232 CC(C)(C)OC(=O)NC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118233 CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM123816 [O-][N+](=O)c1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:8.8|
BDBM123814 Oc1ccccc1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:8.9|
BDBM123815 Fc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
BDBM123818 Clc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:9.10|
BDBM123819 Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1O |w:6.6|
BDBM123821 COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1OC |w:7.7|
BDBM123822 COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:7.7|
BDBM123823 Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6|
BDBM123824 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccccc1O |w:11.11|
BDBM123825 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(F)cc1 |w:11.11|
BDBM123826 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O |w:11.11|
BDBM123827 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)cc1 |w:11.11|
BDBM123828 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11|
BDBM123829 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:11.11|
BDBM123830 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1 |w:11.11|
BDBM123831 COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1OC |w:7.7|
BDBM123832 COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1 |w:7.7|
BDBM123833 Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11|
BDBM123817 Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
BDBM123820 Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
BDBM101275 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
BDBM50003599 CN1CCC(=CC1)c1ccccc1 |c:4|
BDBM101274 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
BDBM101282 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
BDBM101264 CN(CC(=O)NC1CC1)[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101289 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
BDBM101299 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccncc1 |r|
BDBM101259 CN(C)[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101277 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
BDBM101296 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM101267 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101268 CCN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101304 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
BDBM101297 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
BDBM101261 N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101301 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(Cl)cc1 |r|
BDBM101270 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1 |r|
BDBM50011421 [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50011446 Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM101290 CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
BDBM50014644 C[N+]1=Cc2ccccc2CC1 |t:1|
BDBM50014648 COc1cc2CCN(C)Cc2cc1OC
BDBM50014650 COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
BDBM50014651 CN1CCc2ccccc2C1
BDBM50014655 COc1c2CCNCc2c(OC)c(OC)c1OC
BDBM101260 CN(C)[C@@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101247 NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50013811 c1ccc2c(c1)[nH]c1cnccc21
BDBM50014634 COc1cc2[C@H](C)N(C)CCc2cc1O
BDBM50014638 COc1ccc2C=[N+](C)CCc2c1 |t:6|
BDBM101262 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1 |r|
BDBM101294 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
BDBM50022804 C\C=C(/C)c1ccccc1
BDBM50022805 CN1CCC\C(C1)=C\c1ccccc1
BDBM50022806 CN(C)C\C=C\c1ccccc1
BDBM50022807 NC1CCCCC1Cc1ccccc1
BDBM50022808 CN1CCC\C(C1)=C/c1ccccc1
BDBM50022809 NC1CCCC(=C1)c1ccccc1 |c:5|
BDBM50022810 CN(C)C1CCCCC1Cc1ccccc1
BDBM50022811 CN(C)C\C=C(/C)c1ccccc1
BDBM50022812 CN(C)C1CCCC(=C1)c1ccccc1 |c:7|
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM101285 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
BDBM101281 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1 |r|
BDBM101269 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
BDBM101255 COC(=O)C(C)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50022178 Cc1cc(=O)oc2cc(O)ccc12
BDBM101249 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC#C |r|
BDBM101276 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
BDBM101286 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
BDBM101298 COc1cc(F)ccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101273 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
BDBM101248 CC(N[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CC1 |r|
BDBM101293 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
BDBM101288 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM101305 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
BDBM101271 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
BDBM101279 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCCc2ccccc2)cc1 |r|
BDBM50028544 [NH3+][C@H]1C[C@@H]1c1ccccc1
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50029815 N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
BDBM50029816 NCCNC(=O)c1ccc(Cl)cn1
BDBM50029825 O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50029838 S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50031051 Clc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031053 Fc1ccc(cc1F)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031055 COc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031061 O=C1c2ccccc2-c2nnc(cc12)-c1ccc2ccccc2c1
BDBM50031063 O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc12
BDBM50031066 Fc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031018 O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
BDBM50031019 Oc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031020 Clc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031022 O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc12
BDBM50031071 Brc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031024 Cc1nnc2-c3ccccc3C(=O)c2c1-c1ccccc1
BDBM50031074 O=C1c2ccccc2-c2nnc(cc12)-c1ccco1
BDBM50031075 O=C1c2ccccc2-c2nnc(cc12)-c1cccc(c1)C#N
BDBM50031027 CC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031034 Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031035 O=C1c2ccccc2-c2nnc(\C=C\c3ccccc3)cc12
BDBM50031036 FC(F)(F)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031037 [O-][N+](=O)c1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031038 O=C1c2ccccc2-c2nnc(-c3ccccc3)c(Cc3ccccc3)c12
BDBM50031044 Brc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031045 Clc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031047 [O-][N+](=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031048 FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50042986 Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM50041581 Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50047034 O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50047022 S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50049240 CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
BDBM50049243 CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
BDBM50051358 O=C1CC(Oc2ccccc12)c1ccccc1
BDBM50127208 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(OC)ccc3oc2=O)cc1
BDBM50127209 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(OC)cc3oc2=O)cc1
BDBM50127230 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(C)ccc3oc2=O)cc1
BDBM50127211 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(C)c3oc2=O)cc1
BDBM50127229 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(C)cc3oc2=O)cc1
BDBM50127235 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(Cl)cc3oc2=O)cc1
BDBM50127231 CCOc1ccc2cc(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c3ccc(OC)cc3)c(=O)oc2c1
BDBM50127234 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(CC=C)cc(OC)c3oc2=O)cc1
BDBM50127240 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(Br)cc3oc2=O)cc1
BDBM50127241 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
BDBM50127237 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1
BDBM50127238 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(cc3oc2=O)N(C)C)cc1
BDBM50127242 CCOc1cccc2cc(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c3ccc(OC)cc3)c(=O)oc12
BDBM50127244 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(OC)c3oc2=O)cc1
BDBM195565 O=C1\C(Cc2ccccc12)=C\c1ccsc1
BDBM50127233 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1
BDBM50085045 Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
BDBM50087800 C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50086502 C1CN=C(N1)c1cc2ccccc2o1 |c:2|
BDBM50105417 NNCCc1ccccc1
BDBM50106920 COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
BDBM243411 NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wU:10.12,wD:8.8,(10.25,-.24,;8.76,-.64,;8.36,-2.13,;6.87,-2.53,;5.78,-1.44,;6.18,.05,;7.67,.45,;4.3,-1.84,;3.21,-.75,;2.12,-1.84,;1.72,-.35,;.39,.42,;-1.08,-.05,;-1.98,1.19,;-1.08,2.44,;.39,1.96,;-3.52,1.19,;-4.29,2.53,;-4.29,-.14,;-5.83,-.14,;-6.6,1.19,;-8.14,1.19,;-8.91,-.14,;-10.25,.63,;-10.25,-.91,;-8.14,-1.48,;-6.6,-1.48,)|
BDBM50109389 C(Cc1ccccc1)N1CCCCC1
BDBM50108606 NNC(N)=O
BDBM50110725 Cc1cccc(c1)N1CC(CO)OC1=O
BDBM50116067 CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
BDBM50113851 NC1CC1c1ccccc1
BDBM50121685 FC(F)(F)CCCOc1ccc2C(=O)CCc2c1
BDBM50121686 FC(F)(F)CCCOc1ccc2c(c1)c(=O)c(=O)c2=O
BDBM50121687 O=C1CN(CCC#N)N=C(O1)c1ccc(OCc2ccccc2)cc1 |c:8|
BDBM50121688 Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
BDBM50121689 COCC(COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)C(=O)OC
BDBM50121456 CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
BDBM50121457 CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
BDBM50122955 NC(=O)\C=C1/CCc2c1cc(F)cc2F
BDBM50131698 Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1
BDBM50131078 O=Cc1coc2ccccc2c1=O
BDBM50131081 OC(=O)c1coc2ccccc2c1=O
BDBM50141532 COc1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM50143082 NNC(=O)C1(CC1F)c1ccccc1
BDBM50143084 NCC1(CC1F)c1ccccc1
BDBM50148573 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
BDBM50149893 COc1cc(NC(C)CCC[NH3+])c2ncccc2c1
BDBM13016 C1Cc2ccccc2CN1
BDBM50159254 O=C1CCCc2ccccc12
BDBM50164871 CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
BDBM50169955 CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
BDBM50168968 Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
BDBM50168969 Cn1cccc1C(=O)C(N)c1ccccc1
BDBM50168970 Cn1cccc1C(O)C(N1CCCCC1)c1ccccc1
BDBM50168971 Cn1cccc1C(=O)C(N1CCSCC1)c1ccccc1
BDBM50168972 Cn1cccc1C(O)CN1CCCCC1
BDBM50168973 CN1CCN(CC1)C(C(=O)c1cccn1C)c1ccccc1
BDBM50168974 CN(C)C(C(=O)c1cccn1C)c1ccccc1
BDBM50168975 Cn1cccc1C(=O)[C@@H](N1CCSCC1)c1ccccc1
BDBM50168976 Cn1cccc1C(=O)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50168977 Cn1cccc1C(=O)C(N1CCOCC1)c1ccccc1
BDBM50168978 Cn1cccc1C(=O)C(N1C(=O)c2ccccc2C1=O)c1ccccc1
BDBM50168979 Cn1cccc1C(=O)[C@@H](N1CCCCC1)c1ccccc1
BDBM50168980 CCOc1ccc(NC(C(=O)c2cccn2C)c2ccccc2)cc1
BDBM50168981 Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
BDBM50168982 Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
BDBM50168983 CC(N1CCCCC1)C(=O)c1cccn1C
BDBM50168984 Cn1cccc1C(=O)[C@@H](N1CCCC1)c1ccccc1
BDBM50168985 Cn1cccc1C(=O)C(N1CCCCC1)c1ccccc1
BDBM50168986 Cn1cccc1C(=O)CN1CCCCC1
BDBM50168987 Cn1cccc1C(=O)C(N1CCCC1)c1ccccc1
BDBM50172754 CN1C(NC2C1N(C)C(=O)N(C)C2=O)C=Cc1cccc(Cl)c1 |w:15.17|
BDBM50172755 C(\C=C\c1ccccc1)=C/c1ccccc1
BDBM50172756 CN(CC#C)Cc1ccccc1
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50181856 Cc1cc(=O)oc2cc(OC3CCCC3=O)ccc12
BDBM50184843 NNC\C(=C\F)c1ccccc1
BDBM50184844 NNCC(=C)c1ccc(F)cc1
BDBM50184848 Cc1ccccc1C(=C)CNN
BDBM50184849 NNCC(=C)c1ccccc1
BDBM50184853 NNCC(=C)c1ccc(Cl)cc1
BDBM50213235 COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
BDBM50213676 CCSc1ccc(C[C@H](C)N)cc1
BDBM50213677 CCCSc1ccc(C[C@H](C)N)cc1
BDBM50213678 CCCCSc1ccc(C[C@H](C)N)cc1
BDBM50219485 OC(=O)c1cc2ccccc2cc1O
BDBM50236898 N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50231950 CN(CC#C)Cc1ccnc2c(O)cccc12
BDBM50231955 Oc1cccc2c(CN3CCN(CC#C)CC3)ccnc12
BDBM50231956 CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
BDBM50231957 Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50231959 Oc1cccc2c(CNCC#C)ccnc12
BDBM50231960 CCCN(C)C(=O)Oc1cc2[C@@H](CCc2cc1Cl)NCC#C
BDBM50240772 N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50252093 Oc1ccc2sc(=O)oc2c1
BDBM50249871 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
BDBM50246219 Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12
BDBM50264670 CN1C2C(N=C1C=Cc1ccc(Cl)c(Cl)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
BDBM50246264 CC(=O)COc1ccc2c3CCCc3c(=O)oc2c1C
BDBM50246267 Cc1c(OCC(Br)=C)ccc2c3CCCc3c(=O)oc12
BDBM50264557 CN1C2C(N=C1C=Cc1cccc(Br)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
BDBM50257235 NC[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50261915 N[C@H]1C[C@]1(F)c1ccccc1 |r|
BDBM50261968 COc1ccc(cc1OC)[C@@]1(F)C[C@@H]1N |r|
BDBM50260195 C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50261916 N[C@@H]1C[C@]1(F)c1ccccc1 |r|
BDBM50261917 N[C@H]1C[C@]1(F)c1ccc(Cl)cc1 |r|
BDBM50261918 N[C@@H]1C[C@]1(F)c1ccc(Cl)cc1 |r|
BDBM50261919 N[C@H]1C[C@]1(F)c1ccc(F)cc1 |r|
BDBM50261969 COc1ccc(cc1OC)[C@@]1(F)C[C@H]1N |r|
BDBM50261920 N[C@@H]1C[C@]1(F)c1ccc(F)cc1 |r|
BDBM50261921 N[C@@H]1C[C@]1(F)c1ccc(cc1)C(F)(F)F |r|
BDBM50261922 Cc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
BDBM50261923 Cc1ccc(cc1)[C@@]1(F)C[C@H]1N |r|
BDBM50261970 N[C@H]1C[C@@]1(F)c1ccccc1 |r|
BDBM50261971 N[C@@]1(C[C@]1(F)c1ccccc1)c1ccccc1 |r|
BDBM50261924 COc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
BDBM50258885 O=C1Nc2cc(\C=C\c3ccccc3)ccc2C1=O
BDBM50259619 O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
BDBM50259620 Clc1cccc(\C=C\c2ccc3NC(=O)C(=O)c3c2)c1
BDBM50261813 N[C@H]1C[C@]1(F)c1ccc(cc1)C(F)(F)F |r|
BDBM50261814 N[C@@H]1C[C@@H]1c1ccccc1 |r|
BDBM50259621 Fc1cccc(\C=C\c2ccc3NC(=O)C(=O)c3c2)c1
BDBM50261914 NC[C@]1(C[C@@H]1F)c1ccccc1 |r|
BDBM50261967 COc1ccc(cc1)[C@@]1(F)C[C@H]1N |r|
BDBM50250839 CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
BDBM50250840 CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
BDBM50249834 NC(=S)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
BDBM50246168 COc1c(O)ccc2c3CCCCc3c(=O)oc12
BDBM50246220 Cc1cc(=O)oc2c(C)c(OC3CCCCC3=O)ccc12
BDBM50246766 NC\C(CCc1ccc(F)cc1)=C\F
BDBM50241461 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
BDBM50246169 COc1cc(OCC(C)=O)cc2oc(=O)ccc12
BDBM50246170 COc1c(OC2CCCC2=O)ccc2ccc(=O)oc12
BDBM50246223 COc1c(OCC(C)=O)ccc2c3CCCc3c(=O)oc12
BDBM50246121 Cc1cc(=O)oc2c(C)c(O)ccc12
BDBM50246305 COc1c(OCC(C)=O)ccc2c1oc(=O)c1ccccc21
BDBM50246306 Cc1c(OCC(Br)=C)ccc2c3ccccc3c(=O)oc12
BDBM50246265 CC(=O)COc1ccc2c3CCCCc3c(=O)oc2c1C
BDBM50246266 COc1c(OCC(C)=O)ccc2c3CCCCc3c(=O)oc12
BDBM50246268 Cc1c(OCC(Br)=C)ccc2c3CCCCc3c(=O)oc12
BDBM50246269 CC(=O)COc1ccc2c(oc(=O)c3ccccc23)c1C
BDBM50246307 COc1c2c(C)coc2cc2oc(=O)ccc12
BDBM50246308 COc1c2occc2cc2cc(N)c(=O)oc12
BDBM50246310 Cc1cc(=O)oc2c(C)c3oc4CCCc4c3cc12
BDBM50265779 COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
BDBM50282502 Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
BDBM50282506 CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
BDBM50282510 Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
BDBM50282514 Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
BDBM50282516 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
BDBM50272793 CC1CCCCC1=NNc1nc(cs1)-c1ccc(Cl)cc1 |w:7.8|
BDBM50272794 CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
BDBM50272795 CC1CCCCC1=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |w:7.8|
BDBM50272907 C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
BDBM50272908 C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
BDBM50272909 C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
BDBM50272829 CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
BDBM50272830 CC1CCCCC1=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
BDBM50272831 CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |w:7.8|
BDBM50272832 CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
BDBM50272863 C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
BDBM50272864 C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
BDBM50272865 C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
BDBM50272866 C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
BDBM50272867 C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
BDBM50288968 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21|
BDBM50288969 COc1cc(Br)c2oc(cc2c1)C1CCNCC1
BDBM50288970 CN=C1CCc2c1n(C)c1ccccc21 |w:1.0|
BDBM50288971 CCCN=C1CCc2c1n(C)c1ccccc21 |w:3.2|
BDBM50292160 CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:4|
BDBM50292161 CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:4|
BDBM50292162 CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:4|
BDBM50292163 COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
BDBM50292164 CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:4|
BDBM50292165 CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:4|
BDBM50292166 CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1O |c:4|
BDBM50292167 COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
BDBM50292168 COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
BDBM50292169 CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:4|
BDBM50292170 COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2)c(OC)c1 |c:8|
BDBM50292171 COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
BDBM50288977 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1|
BDBM50288978 CC(C)N=C1CCc2c1n(C)c1ccccc21 |w:3.2|
BDBM50288979 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22|
BDBM50288980 Cn1c2C(CCc2c2ccccc12)=NCc1ccncc1 |w:13.16|
BDBM50288981 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21|
BDBM50288982 CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
BDBM50288965 CCN=C1CCc2c1n(C)c1ccccc21 |w:2.1|
BDBM50288966 CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22|
BDBM50288967 CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25|
BDBM50288972 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1|
BDBM50288973 CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12|
BDBM50288974 CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:3.2|
BDBM50288975 CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24|
BDBM50288976 CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1|
BDBM50272792 CC1CCCCC1=NNc1nc(cs1)-c1ccccc1 |w:7.8|
BDBM50304144 [O-][N+](=O)c1ccc2[nH]ncc2c1
BDBM50303495 CCOC(=O)c1cc2ccc(OC)cc2oc1=O
BDBM50297422 CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4|
BDBM50297426 CCNC(=S)N1N=C(CC1c1cccs1)c1ccc(OC)cc1 |c:6|
BDBM50297427 COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccccc1 |c:13|
BDBM50297428 CC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)cc1O |c:4|
BDBM50297429 CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1 |c:4|
BDBM50297430 COc1ccc(C2=NN(C(C2)c2ccccc2C)C(C)=O)c(OC)c1 |t:6|
BDBM50297432 COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)N=CC |w:21.24,t:9|
BDBM50297434 COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1 |t:9|
BDBM50297436 Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)NCC=C |t:8|
BDBM50310177 COc1ccc(cc1)-c1cc(=S)c2ccc(OC)cc2o1
BDBM50310184 COc1ccc(cc1)-c1cc(=O)c2ccc(OC)cc2o1
BDBM50310165 COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
BDBM50310166 COc1ccc2C(=O)C[C@@H](Oc2c1)c1ccc(F)cc1 |r|
BDBM50310167 Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(C)cc2O1 |r|
BDBM50310168 Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(C)cc2O1 |r|
BDBM50310169 Cc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
BDBM50310170 Cc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
BDBM50310171 Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
BDBM50310172 Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
BDBM50310173 Fc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
BDBM50310174 Fc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
BDBM50310175 Fc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
BDBM50310176 Fc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
BDBM50300894 COc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
BDBM50300895 COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
BDBM50310178 COc1ccc2c(c1)oc(cc2=S)-c1ccc(C)cc1
BDBM50310179 Cc1ccc(cc1)-c1cc(=S)c2ccc(C)cc2o1
BDBM50310180 Cc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
BDBM50300896 Cc1ccc2oc(=O)c(cc2c1)-c1ccc(O)cc1
BDBM50310181 Fc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
BDBM50310182 COc1ccc(cc1)-c1cc(=S)c2ccccc2o1
BDBM50310183 Cc1ccc(cc1)-c1cc(=S)c2ccccc2o1
BDBM50310185 COc1ccc2c(c1)oc(cc2=O)-c1ccc(C)cc1
BDBM50310186 COc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
BDBM50310187 Cc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
BDBM50310188 Fc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50310189 COc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50310190 Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50310191 COc1ccc2C(=O)CC(Oc2c1)c1ccc(C)cc1
BDBM50310192 COc1ccc(cc1)C1CC(=O)c2ccc(C)cc2O1
BDBM50310193 Cc1ccc2C(=O)CC(Oc2c1)c1ccc(F)cc1
BDBM50310194 COc1ccc(cc1)C1CC(=O)c2ccc(F)cc2O1
BDBM50310195 COc1ccc(cc1)C1CC(=O)c2ccccc2O1
BDBM50310196 Cc1ccc(cc1)C1CC(=O)c2ccccc2O1
BDBM50310197 Fc1ccc(cc1)C1CC(=O)c2ccccc2O1
BDBM50310198 COc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
BDBM50307364 CCCCOc1ccc(cc1)C1CNC(=O)CS1
BDBM50307365 COc1ccc(cc1)C1CNCCS1
BDBM50307366 CCCOc1ccc(cc1)C1CNCCS1
BDBM50307363 O=C1CSC(CN1)c1ccc(OCc2ccccc2)cc1
BDBM50307367 CCCCOc1ccc(cc1)C1CNCCS1
BDBM50307368 CCCOc1ccc(cc1)C1CNC(=O)CS1
BDBM50307369 C1CSC(CN1)c1ccccc1
BDBM50307370 CCOc1ccc(cc1)C1CNCCS1
BDBM50307371 CCOc1ccc(cc1)C1CNC(=O)CS1
BDBM50307372 O=C1CSC(CN1)c1ccccc1
BDBM50307373 COc1ccc(cc1)C1CNC(=O)CS1
BDBM50306696 Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50306697 Cn1c(OCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50306698 Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50306699 Cn1c(OCc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50306700 Cn1c(OCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50306701 Cc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50306702 COc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50297423 Oc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
BDBM50297424 CCOC(=O)\C=C\c1ccc(O)c(OC)c1
BDBM50297425 COc1cc(O)ccc1O
BDBM50297431 Cc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
BDBM50297433 COc1ccc(cc1OC)C1=NN(CC1)C(C)=O |t:11|
BDBM50297435 COc1ccc(OC)c(c1)C1=NN(CC1)C(C)=O |t:11|
BDBM50307362 C(Oc1ccc(cc1)C1CNCCS1)c1ccccc1
BDBM50326844 Cc1cc2cc(NC(=O)\C=C\c3ccccc3)ccc2[nH]1
BDBM50326845 Cc1cc2cc(NC(=O)\C=C\c3cccc(Cl)c3)ccc2[nH]1
BDBM50312363 NC(=S)N1N=C(CC1c1ccco1)c1ccccc1 |c:4|
BDBM50312365 NC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:4|
BDBM50326847 Cc1cc2cc(NC(=O)c3cccc(c3)S(O)(=O)=O)ccc2[nH]1
BDBM50326848 Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
BDBM50326842 Cc1cc2cc(NC(=O)c3ccccc3)ccc2[nH]1
BDBM50326891 COc1ccc(cc1)C1=NN(CC1)C(N)=S |t:9|
BDBM50312366 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccco1 |c:10|
BDBM50312367 NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccco1 |c:4|
BDBM50312368 NC(=S)N1N=C(CC1c1ccc[nH]1)c1cccs1 |c:4|
BDBM50326852 O=C(Oc1ccc2OC(=O)Cc2c1)\C=C\c1ccccc1
BDBM50326853 Clc1cccc(\C=C\C(=O)Oc2ccc3OC(=O)Cc3c2)c1
BDBM50326843 Cc1cc2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH]1
BDBM50326892 Cc1ccc(cc1)C1=NN(CC1)C(N)=S |t:8|
BDBM50326893 CNC(=S)N1CCC(=N1)c1ccc(F)cc1 |c:7|
BDBM50326894 CNC(=S)N1CCC(=N1)c1cccc(C)c1 |c:7|
BDBM50312371 Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(N)=S |t:8|
BDBM50312372 NC(=S)N1N=C(CC1c1cccs1)c1ccc(F)cc1 |c:4|
BDBM50312375 NC(=S)N1N=C(CC1c1ccco1)c1ccc[nH]1 |c:4|
BDBM50326846 Cc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1
BDBM50326895 CNC(=S)N1CCC(=N1)c1cccc(OC)c1 |c:7|
BDBM50326896 CNC(=S)N1CCC(=N1)c1ccc(OC)cc1 |c:7|
BDBM50326897 CNC(=S)N1CCC(=N1)c1ccc(C)cc1 |c:7|
BDBM50327214 C(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
BDBM50327215 Clc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:7.7|
BDBM50327216 Clc1ccccc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:9.10|
BDBM50327217 COc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:8.8|
BDBM50327218 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |w:3.3|
BDBM50327219 Brc1cccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)c1 |w:8.8|
BDBM50327220 Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12
BDBM50327221 COc1ccc(cc1OC)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50327222 COc1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50327223 CN(C)c1ccc(cc1Br)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50326849 Cc1cc2cc(NC(=O)c3ccc[n+](C)c3)ccc2[nH]1
BDBM50326850 O=C(Oc1ccc2OC(=O)Cc2c1)c1ccccc1
BDBM50326851 Clc1cccc(c1)C(=O)Oc1ccc2OC(=O)Cc2c1
BDBM50326898 CNC(=S)N1CC(C)C(=N1)c1ccc(OC)cc1 |c:8|
BDBM50326899 COc1ccc(cc1)C1=NN(CC1C)C(N)=S |t:9|
BDBM50326900 CNC(=S)N1CC(C)C(=N1)c1ccc(Cl)cc1 |c:8|
BDBM50327224 C(c1ccccc1)c1nc2ccccc2n2cnnc12
BDBM50321885 CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
BDBM50317179 C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
BDBM50317193 CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
BDBM50317203 C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
BDBM50323844 CCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:7.6|
BDBM50323841 COc1cccc(c1)-c1csc(N=NC(C)C)n1 |w:13.14|
BDBM50323842 CCC(CC)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
BDBM50323843 CCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
BDBM50323846 [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50323847 COc1cccc(c1)-c1csc(NN=C2CCCC2C)n1 |w:13.13|
BDBM50323848 COc1cccc(c1)-c1csc(NN=C2CCC(C)C2)n1 |w:13.13|
BDBM50323849 [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50323850 COc1cccc(c1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
BDBM50323851 COc1cccc(c1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
BDBM50323852 [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
BDBM50323853 [#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50323854 COc1cccc(c1)-c1csc(N=NCc2ccco2)n1 |w:13.14|
BDBM50323855 COc1cccc(c1)-c1csc(N=NC(C)c2ccco2)n1 |w:13.14|
BDBM50323856 COc1cccc(c1)-c1csc(N=NCc2cccs2)n1 |w:13.14|
BDBM50323857 COc1cccc(c1)-c1csc(N=NC(C)c2cccs2)n1 |w:13.14|
BDBM50323858 COc1cccc(c1)-c1csc(N=NCc2cccnc2)n1 |w:13.14|
BDBM50323859 COc1cccc(c1)-c1csc(N=NC(C)c2cccnc2)n1 |w:13.14|
BDBM50323860 COc1cccc(c1)-c1csc(N=NCc2ccncc2)n1 |w:13.14|
BDBM50323861 COc1cccc(c1)-c1csc(N=NC(C)c2ccncc2)n1 |w:13.14|
BDBM50323864 COc1cccc(c1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:13.14|
BDBM50323865 COc1cccc(c1)-c1csc(N\N=C(/C)c2cc3ccccc3oc2=O)n1
BDBM50324736 COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
BDBM50324737 CN(C)c1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
BDBM50324738 O=C1S\C(=C/c2ccccc2)C(=O)N1CCC#N
BDBM50326335 CC1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |w:7.8|
BDBM50326336 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |r,w:7.8|
BDBM50326337 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1 |w:7.8|
BDBM50326338 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1 |r,w:7.8|
BDBM50326339 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
BDBM50326340 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
BDBM50326341 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |w:7.8|
BDBM50326342 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |r,w:7.8|
BDBM50326343 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
BDBM50326344 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
BDBM50326345 C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
BDBM50326346 COc1ccc(cc1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
BDBM50326347 COc1ccc(cc1)-c1csc(NN=C2CCC[C@@H](C)C2)n1 |r,w:13.13|
BDBM50326348 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
BDBM50326349 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
BDBM50326350 C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
BDBM50326366 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
BDBM50326367 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |r,w:7.8|
BDBM50326368 CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |w:7.8|
BDBM50326369 C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
BDBM50326370 C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
BDBM50324739 OC(=O)c1cccc(c1)\N=C1/SC(=O)NC1=O
BDBM50324740 Oc1[nH]c(=O)sc1CC(=O)Nc1ccccc1
BDBM50324741 Oc1[nH]c(=O)sc1CC(=O)Nc1cccc(O)c1
BDBM50326620 [#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326621 [#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326622 Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
BDBM50326623 Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
BDBM50326624 Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326625 Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326626 [#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1
BDBM50326627 N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326628 [#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326629 [#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326630 [#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326631 Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
BDBM50326632 Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
BDBM50326633 Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326634 Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326635 [#6]-1-[#6]-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1
BDBM50326636 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(cc1)C#N
BDBM50326637 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(cc1)-[#7+](-[#8-])=O
BDBM50326638 [#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
BDBM50326639 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(-[#6])cc1
BDBM50326640 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(F)cc1F
BDBM50326641 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(Cl)cc1Cl
BDBM50326642 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(F)cc1
BDBM50326643 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(Cl)cc1
BDBM50326644 [#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
BDBM50326645 N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326646 [#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326647 [#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326648 [#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326649 Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
BDBM50326650 Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326651 Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326652 [#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
BDBM50324961 COc1cc(cc(OC)c1OC)-c1cc2cc(C)cc(Br)c2oc1=O
BDBM50324964 COc1ccc(cc1)-c1cc2cc(C)cc(Br)c2oc1=O
BDBM50324965 COc1cc(OC)cc(c1)-c1cc2cc(C)cc(Br)c2oc1=O
BDBM50326654 Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
BDBM50324962 Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1Br
BDBM50324963 Cc1cc(Br)c2oc(=O)c(cc2c1)-c1ccccc1
BDBM50326619 [#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50326653 N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50324735 OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
BDBM50312364 NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
BDBM50312369 NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
BDBM50312370 Cc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(N)=S |t:8|
BDBM50312373 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)cc1 |c:10|
BDBM50312374 NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:4|
BDBM50337524 Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
BDBM50340098 COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9|
BDBM50341670 Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
BDBM50341671 COc1ccc(\C=C2/COc3cc(OC)cc(OC)c3C2=O)cc1
BDBM50341663 Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
BDBM50341673 Clc1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cc1
BDBM50341668 Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341669 Clc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1
BDBM50341672 COc1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341674 Clc1ccc(\C=C2/COc3ccc(Cl)cc3C2=O)cc1
BDBM50341675 Clc1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341676 Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341677 O=C1\C(COc2ccccc12)=C\c1ccccc1
BDBM50341650 Clc1ccc(CC2COc3cc(Cl)cc(Cl)c3C2=O)cc1
BDBM50341655 Clc1ccc(Cc2coc3cc(Cl)cc(Cl)c3c2=O)cc1
BDBM50341656 COc1cc(\C=C2/COc3ccccc3C2=O)cc(OC)c1OC
BDBM50341657 COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1OC
BDBM50341658 COc1cccc(\C=C2/COc3ccccc3C2=O)c1OC
BDBM50341659 COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1
BDBM50341660 COc1ccc(\C=C2/COc3ccccc3C2=O)c(O)c1
BDBM50341662 Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1[N+]([O-])=O
BDBM50341651 Clc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1
BDBM50341652 Clc1ccc(CC2COc3ccccc3C2=O)cc1
BDBM50341653 O=C1C(Cc2ccccc2)COc2ccccc12
BDBM50341664 COc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
BDBM50341665 COc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
BDBM50341666 CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341667 CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
BDBM50341654 COc1ccc(Cc2coc3ccccc3c2=O)cc1
BDBM50341661 Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
BDBM50171142 CN(C)c1ncc(\C=C2/COc3ccccc3C2=O)cn1
BDBM50334273 Nc1cccc(OCc2ccccc2)c1
BDBM50334274 Nc1ccc(CCc2ccccc2)cc1
BDBM50334279 Nc1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50334280 Nc1ccc(\C=C\c2ccccc2)cc1
BDBM50334281 Nc1cccc(\C=C\c2ccccc2)c1
BDBM50334282 Nc1ccc(OCc2ccccc2)cc1
BDBM50333419 Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12
BDBM50334275 Nc1cccc(CCc2ccccc2)c1
BDBM50334276 Nc1ccc(Oc2ccccc2)cc1
BDBM50334277 Nc1cccc(Oc2ccccc2)c1
BDBM50334278 Nc1ccc(CCCCc2ccccc2)cc1
BDBM50333652 Ic1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50333653 COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50333654 CSc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50333655 Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50334286 O=C1Nc2ccc(CCc3ccccc3)cc2C1=O
BDBM50334287 O=C1Nc2cc(CCc3ccccc3)ccc2C1=O
BDBM50334288 O=C1Nc2ccc(Oc3ccccc3)cc2C1=O
BDBM50334284 O=C1Nc2ccc(OCc3ccccc3)cc2C1=O
BDBM50334285 O=C1Nc2cc(OCc3ccccc3)ccc2C1=O
BDBM50334289 O=C1Nc2cc(Oc3ccccc3)ccc2C1=O
BDBM50334290 O=C1Nc2ccc(cc2C1=O)-c1ccccc1
BDBM50334291 O=C1Nc2cc(ccc2C1=O)-c1ccccc1
BDBM50334292 O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
BDBM50344062 Oc1ccc(cc1)-c1cc2cc(Br)cc(O)c2oc1=O
BDBM50344058 COc1ccc(cc1)-c1cc2cc(Br)cc(OC)c2oc1=O
BDBM50344056 COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
BDBM50344060 Oc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
BDBM50340653 COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
BDBM50341152 [O-][N+](=O)c1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
BDBM50341153 Oc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
BDBM50341154 Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
BDBM50341155 Cc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
BDBM50341156 C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccc1 |c:2|
BDBM50341157 Oc1ccccc1C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
BDBM50341158 Oc1ccc(C2CC(N=N2)c2c3ccccc3cc3ccccc23)c(O)c1 |c:8|
BDBM50341159 C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccn1 |c:2|
BDBM50341160 [O-][N+](=O)c1cccc(c1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
BDBM50341161 COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:12|
BDBM50328900 NCc1cn(nn1)-c1ccccc1
BDBM50328901 NCc1cn(nn1)-c1ccc(cc1)C(O)=O
BDBM50340652 COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
BDBM50328902 NCc1cn(nn1)-c1cccc(c1)C(O)=O
BDBM50328903 NCc1cn(nn1)-c1ccncc1
BDBM50340654 O=c1oc2ccccc2cc1-c1cccs1
BDBM50340655 O=c1oc2ccccc2cc1-c1ccsc1
BDBM50340656 O=c1oc2ccccc2cc1-c1c[nH]c2ccccc12
BDBM50340657 COc1ccc2cc(-c3cccs3)c(=O)oc2c1
BDBM50340658 COc1ccc2oc(=O)c(cc2c1)-c1cccs1
BDBM50340659 COc1ccc2oc(=O)c(cc2c1)-c1ccsc1
BDBM50333651 O=C(Nc1ccccc1)c1coc2ccccc2c1=O
BDBM50334293 Clc1ccc(Oc2ccc3NC(=O)C(=O)c3c2)cc1
BDBM50352007 COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccc(C)cc1 |c:11|
BDBM50352008 CC(=O)N1N=C(OC1c1ccc(C)cc1)c1ccc(C)cc1 |c:4|
BDBM50352009 CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(cc1)[N+]([O-])=O |c:4|
BDBM50352010 CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
BDBM50352011 CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:4|
BDBM50352012 COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccccc1 |c:11|
BDBM50352013 CC(=O)N1N=C(OC1c1ccc(F)cc1)c1ccccc1 |c:4|
BDBM50352014 CC(=O)N1N=C(OC1c1ccc(C)cc1)c1ccccc1 |c:4|
BDBM50352015 CN(C)c1ccc(cc1)C1OC(=NN1C(C)=O)c1ccncc1 |c:12|
BDBM50352016 CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:4|
BDBM50352017 CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 |r,c:4|
BDBM50352018 CC(=O)N1N=C(O[C@@H]1c1ccc(C)cc1)c1ccccc1 |r,c:4|
BDBM50346534 N[C@H]1C[C@@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
BDBM50346862 N[C@@H]1C[C@H]1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 |r|
BDBM50346864 NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
BDBM50346586 NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50345898 COc1cc(OC)cc(c1)-c1cc2cc(C)ccc2oc1=O
BDBM50345899 COc1cc(cc(OC)c1OC)-c1cc2cc(C)ccc2oc1=O
BDBM50353727 CCOC(=O)c1cc2cccc(O)c2oc1=O
BDBM50353728 CCN(CC)c1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
BDBM50353729 OC(=O)c1cc2cc(I)cc(I)c2oc1=O
BDBM50353825 Cc1cccc(NC(=O)\C=C\c2ccccc2)c1
BDBM50353826 Clc1cccc(NC(=O)\C=C\c2ccccc2)c1
BDBM50353827 Brc1cccc(NC(=O)\C=C\c2ccccc2)c1
BDBM50353730 CCOC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
BDBM50353731 CCOC(=O)c1cc2cc(OC)ccc2oc1=O
BDBM50353733 CCOC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
BDBM50353828 Clc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
BDBM50353829 Brc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
BDBM50353830 O=C(C\C=C\c1ccccc1)Nc1ccccc1
BDBM50353734 CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1
BDBM50353735 Oc1cccc2cc(C(=O)c3ccccc3)c(=O)oc12
BDBM50353831 Cc1cccc(NC(=O)C\C=C\c2ccccc2)c1
BDBM50353832 Clc1cccc(NC(=O)C\C=C\c2ccccc2)c1
BDBM50353833 Brc1cccc(NC(=O)C\C=C\c2ccccc2)c1
BDBM50353737 CC(=O)c1cc2cccc(O)c2oc1=O
BDBM50353834 O=C(Nc1ccccc1)\C=C\C=C\c1ccccc1
BDBM50353835 Cc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
BDBM50353836 Oc1cccc(\C=C\C(=O)Nc2cccc(Cl)c2)c1
BDBM50353740 CC(=O)c1cc2cc(O)ccc2oc1=O
BDBM50353741 CCOC(=O)c1cc2ccc(OCc3ccc(cc3)C(C)(C)C)cc2oc1=O
BDBM50353837 Oc1cccc(\C=C\C(=O)Nc2cccc(Br)c2)c1
BDBM50353838 Oc1ccc(\C=C\C(=O)Nc2cccc(Cl)c2)cc1
BDBM50353839 Oc1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1
BDBM50353840 Clc1cccc(NC(=O)\C=C\c2cccc(c2)C#N)c1
BDBM50353841 Brc1cccc(NC(=O)\C=C\c2cccc(c2)C#N)c1
BDBM50353842 Clc1cccc(NC(=O)\C=C\c2ccc(cc2)C#N)c1
BDBM50353843 Brc1cccc(NC(=O)\C=C\c2ccc(cc2)C#N)c1
BDBM50353708 Oc1ccc2oc(=O)c(cc2c1)C(=O)c1ccccc1
BDBM50353709 CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
BDBM50353711 [O-][N+](=O)c1ccc(NNC(=O)c2cc3ccccc3oc2=O)c(c1)[N+]([O-])=O
BDBM50353712 CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM50353713 NNC(=O)c1cc2ccccc2oc1=O
BDBM50353714 CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
BDBM50353715 CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
BDBM50353716 CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
BDBM50353717 CC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50353718 OC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
BDBM50353719 Clc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
BDBM50353720 OC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
BDBM50353721 CC(=O)c1cc2c(ccc3ccccc23)oc1=O
BDBM50353722 OC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
BDBM50353723 O=C(NNc1ccccc1)c1cc2ccccc2oc1=O
BDBM50353724 CC(=O)c1cc2ccccc2oc1=O
BDBM50353725 CCOC(=O)c1cc2cc(O)ccc2oc1=O
BDBM50353726 CC(=O)c1cc2cc(Cl)ccc2oc1=O
BDBM50353824 O=C(Nc1ccccc1)\C=C\c1ccccc1
BDBM50358009 COc1cc2CCN=C3c4ccccc4C(=O)c(c1)c23 |t:7|
BDBM50358011 O=C1c2ccccc2-c2nccc3cccc1c23
BDBM50358012 COc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
BDBM50358014 Oc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
BDBM50358015 COC1=Cc2ccnc3c4ccccc4cc(C1=O)c23 |t:2|
BDBM50358016 COc1cc2CCN=C3C4=C(CCCC4)C(=O)c(c1)c23 |t:7,9|
BDBM50358017 COc1cc2CCNC3c4ccccc4C(O)c(c1)c23
BDBM50350637 Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50350639 Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50350640 O=C1NC(=O)c2cc(Oc3ccccc3)ccc12
BDBM50350641 O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
BDBM50350642 O=C1NC(=O)c2cc(OCCc3ccccc3)ccc12
BDBM50358044 Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1
BDBM50358045 Cc1cccc(COc2ccc3C(=O)c4cc(C)nnc4-c3c2)c1
BDBM50358010 COc1cc2CCN=C3c4ccccc4C(=O)c(c1O)c23 |t:7|
BDBM50358013 COc1cc2ccnc3-c4ccccc4C(=O)c(c1O)c23
BDBM50350116 O=C(NC1CCCCC1)c1coc2ccccc2c1=O
BDBM50358008 O=C1c2ccccc2C2=NCCc3cccc1c23 |t:9|
BDBM50347288 COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:10|
BDBM50347289 Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:9|
BDBM50347290 COc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:11|
BDBM50347291 Cc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:10|
BDBM50347292 COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:13|
BDBM50347293 Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:12|
BDBM50347294 COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:10|
BDBM50347295 COc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:11|
BDBM50347296 Cc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:10|
BDBM50347297 COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:13|
BDBM50347298 Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:12|
BDBM50347299 Cc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:10|
BDBM50345897 Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1
BDBM50347301 COc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:11|
BDBM50347302 NC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
BDBM50346585 NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
BDBM50347304 Cc1ccc(cc1)C1CC(=NN1C(N)=N)c1ccccc1 |c:10|
BDBM50347305 NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
BDBM50347306 Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:9|
BDBM50347309 Oc1cc(Br)cc2cc(C(=O)c3ccccc3)c(=O)oc12
BDBM50348831 Cn1c(OCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348832 Cn1c(OCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348833 Cn1c(Oc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348834 Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348835 Cn1c(OCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348836 Cn1c(OCC2CCC=CC2)nc2n(C)c(=O)n(C)c(=O)c12 |c:8|
BDBM50348837 Cn1c(OCC2CCCCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348838 Cn1c(OCC2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348839 Cn1c(OCCOc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348840 Cn1c(OCCOCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348841 CC(C)CCCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50348843 Cn1c(OCCOc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50348844 Cn1c(OCCOc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50346863 NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
BDBM50359571 Cn1c(SCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359572 Cn1c(SCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359573 Cn1c(SCCOc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359574 Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359575 Cn1c(SCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359576 Cn1c(SCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359577 CC(C)CCSc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50359578 Cn1c(SC2CCCCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359579 Cn1c(SC2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359580 Cn1c(Sc2ccc3ccccc3c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359581 Cn1c(NCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359582 Cn1c(NCCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359583 Cn1c(NCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359584 CN(CCc1ccccc1)c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50359585 CN(CCCCc1ccccc1)c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50359586 Cn1c(NCCc2ccccn2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359391 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50360807 COc1ccc(cc1)-c1c(O)c2ccccc2oc1=O
BDBM50360808 COc1ccc(cc1)-c1c(O)c2cc(C)ccc2oc1=O
BDBM50360809 COc1ccc(cc1Cl)-c1c(O)c2ccccc2oc1=O
BDBM50360810 COc1ccc(cc1Cl)-c1c(O)c2cc(C)ccc2oc1=O
BDBM50360811 COc1ccc(cc1Cl)-c1c(O)c2cc(Cl)ccc2oc1=O
BDBM50359570 Cn1c(Sc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50359639 CC1=C(C)C(=O)c2cc(C)ccc2C1=O |c:1|
BDBM50355318 COc1ccc(cc1OC)-c1cc2cc(C)ccc2oc1=O
BDBM50355315 Cc1ccc(cc1)-c1cc2cc(O)ccc2oc1=O
BDBM50355316 Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1O
BDBM50355317 Cc1ccc2oc(=O)c(cc2c1)-c1cccc(O)c1
BDBM50355321 CC(=O)COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
BDBM50355322 Cc1ccc(cc1)-c1cc2cc(OC3CCCC3)ccc2oc1=O
BDBM50355319 COc1ccc2oc(=O)c(cc2c1)-c1cccc(C)c1
BDBM50355320 COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
BDBM50355325 COc1ccc(cc1Br)-c1cc2cc(C)ccc2oc1=O
BDBM50355326 COc1cc(ccc1Br)-c1cc2cc(C)ccc2oc1=O
BDBM50355327 COc1cc(OC)c(Br)c(c1)-c1cc2cc(C)ccc2oc1=O
BDBM50355328 CC(=O)COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
BDBM50355323 Cc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
BDBM50355324 Cc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
BDBM50355806 C[C@H](Cc1ccccc1)N(CCF)CC#C |r|
BDBM50355807 C[C@H]([C@H](F)c1ccccc1)N(C)CC#C |r|
BDBM50355808 CN(CC#C)[C@H](CF)Cc1ccccc1 |r|
BDBM50350644 O=C1NC(=O)c2ccccc12
BDBM50347300 NC(=O)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
BDBM50347303 NC(=S)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
BDBM50347307 NC(=N)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
BDBM50350486 CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
BDBM50350487 Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
BDBM50350488 Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
BDBM50350489 OC1=NC(=O)C(S1)=CC(=O)Nc1cccc(O)c1 |w:7.8,t:1|
BDBM50350490 OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O
BDBM50350491 Nc1nc(O)c(Cc2ccccc2)s1
BDBM50350120 CCCNC(=O)c1coc2ccccc2c1=O
BDBM50350492 COc1cc(C=C2SC(S)=NC2=O)c(OC)cc1O |w:5.4,c:9|
BDBM50350493 OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)c(Br)c1 |w:7.8,t:1|
BDBM50350494 CC(=O)c1ccc(Cc2sc(N)nc2O)cc1
BDBM50350121 Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
BDBM50350495 OC(=O)C(Cc1ccc(O)cc1)n1c(O)csc1=S
BDBM50350496 OC(=O)c1ccc(cc1)\N=C1\SC(=O)NC1=O
BDBM50350497 OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
BDBM50350110 Clc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50350111 Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50350112 COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
BDBM50350113 FC(F)(F)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50350114 Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
BDBM50350115 Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O
BDBM50350498 CN1C(=S)S\C(=C\c2ccccc2)C1=O
BDBM50350502 CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
BDBM50350117 FC(F)(F)Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50350118 COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC
BDBM50350119 [O-][N+](=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
BDBM50350503 CCCN1C(=S)S\C(=C\c2ccncc2)C1=O
BDBM50350635 O=C1NC(=O)c2cc(OC\C=C\c3ccccc3)ccc12
BDBM50348842 CC(C)CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50350636 O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
BDBM50350638 Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50350643 O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
BDBM50363405 CCOC1CC(=NN1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
BDBM50363406 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccnc1 |w:14.16|
BDBM50363841 Brc1cccc(COc2ccc3occc(=O)c3c2)c1
BDBM50364470 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1F
BDBM50364471 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(F)c1
BDBM50364472 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1
BDBM50364473 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)c(F)c1
BDBM50364474 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1F
BDBM50364475 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F
BDBM50364476 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Br
BDBM50364477 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Br)c1
BDBM50364478 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Cl
BDBM50364479 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Cl)c1
BDBM50364480 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1
BDBM50364481 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl
BDBM50364482 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cc(Cl)c(Cl)cc1Cl
BDBM50364483 COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
BDBM50363407 CN(C)c1ccc(\C=C2/Oc3ccccc3C2=O)cc1
BDBM50363408 Cc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
BDBM50363409 CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
BDBM50363842 Brc1ccc(COc2ccc3occc(=O)c3c2)cc1
BDBM50363843 Fc1cccc(COc2ccc3occc(=O)c3c2)c1
BDBM50363844 Fc1ccc(COc2ccc3occc(=O)c3c2)cc1
BDBM50363410 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1O
BDBM50363411 Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
BDBM50363845 Cc1cccc(COc2ccc3occc(=O)c3c2)c1
BDBM50363846 Cc1ccc(COc2ccc3occc(=O)c3c2)cc1
BDBM50363838 O=c1ccoc2ccc(OCCCc3ccccc3)cc12
BDBM50363836 O=c1ccoc2ccc(OCc3ccccc3)cc12
BDBM50363847 O=c1ccoc2ccc(OCc3cccc(c3)C#N)cc12
BDBM50363848 O=c1ccoc2ccc(OCc3ccc(cc3)C#N)cc12
BDBM50363849 FC(F)(F)c1ccc(COc2ccc3occc(=O)c3c2)cc1
BDBM50363850 Brc1ccc(CCOc2ccc3occc(=O)c3c2)cc1
BDBM50363837 O=c1ccoc2ccc(OCCc3ccccc3)cc12
BDBM50363839 Clc1cccc(COc2ccc3occc(=O)c3c2)c1
BDBM50363840 Clc1ccc(COc2ccc3occc(=O)c3c2)cc1
BDBM50361478 CC(NC1CC1c1ccccc1)c1ccc2OCCOc2c1
BDBM50361479 COc1ccc(cc1)C1CC1N
BDBM50361481 CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F
BDBM50361739 CC1=CCN(CCc2ccccc2)CC1 |t:1|
BDBM50361740 C(Cc1ccccc1)N1CCC=CC1 |c:12|
BDBM50361366 Fc1ccc(cc1)-c1csc(N=NCc2ccccc2)n1 |w:11.11|
BDBM50361367 Fc1ccc(cc1)-c1csc(N=NCc2ccc(Cl)cc2)n1 |w:11.11|
BDBM50361368 COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1OC |w:8.8|
BDBM50361369 COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:8.8|
BDBM50361370 Cc1ccccc1CN=Nc1nc(cs1)-c1ccc(F)cc1 |w:9.10|
BDBM50361371 Cc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:7.7|
BDBM50361741 Fc1ccc(CCN2CCC=CC2)cc1 |c:10|
BDBM50361742 COc1ccc(CCN2CCC=CC2)cc1 |c:11|
BDBM50361743 COc1ccc(CCN2CCC=CC2)cc1OC |c:11|
BDBM50361744 C(CN1CCC=CC1)Cc1ccccc1 |c:5|
BDBM50361745 Clc1ccc(CCN2CCC=CC2)c(Cl)c1 |c:10|
BDBM50361746 [O-][N+](=O)c1ccc(CCN2CCC=CC2)cc1 |c:12|
BDBM50361747 C(N1CCC=CC1)c1ccccc1 |c:4|
BDBM50361748 Clc1ccc(OCCCN2CCC=CC2)c(Cl)c1 |c:12|
BDBM50374176 NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
BDBM50382798 F[C@H]1Cc2ccccc2[C@@H]1NCC#C |r|
BDBM243404 O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
BDBM50378843 C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
BDBM50378844 O=C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
BDBM50378845 Clc1ccccc1-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50378846 CN(C)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50378847 [O-][N+](=O)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
BDBM50378848 O=C(c1ccccc1)c1nc2ccccc2n2cnnc12
BDBM50378849 COc1ccccc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:10.11|
BDBM50378850 COc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1OC |w:8.8|
BDBM50378851 COc1cc(cc(OC)c1OC)C(C)N=Nc1nc2ccccc2nc1Cc1ccccc1 |w:15.16|
BDBM50378852 COc1ccc(cc1)C(C)N=Nc1nc2ccccc2nc1Cc1ccccc1 |w:11.12|
BDBM50378853 C(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 |w:2.2|
BDBM50378564 O=c1ccc2ccc(OCc3ccccc3)cc2o1
BDBM50378832 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 |w:3.3|
BDBM50378833 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 |w:3.3|
BDBM50378834 Oc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:7.7|
BDBM50378835 CN(C)c1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:9.9|
BDBM50378836 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 |w:3.3|
BDBM50378837 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1cccs1 |w:3.3|
BDBM50378838 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1 |w:3.3|
BDBM50378839 CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 |w:3.3|
BDBM50378840 [O-][N+](=O)c1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:9.9|
BDBM50378841 Cc1ccsc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:8.9|
BDBM50378842 CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:1.0|
BDBM50367917 COc1cc2CCN(C)[C@@H](C)c2cc1OC |r|
BDBM243408 O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
BDBM50398600 CCCN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
BDBM50398601 CCN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
BDBM50398602 CCN(CC)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
BDBM50398603 CN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
BDBM50398604 CCCN(C)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
BDBM50398605 CCN(C)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
BDBM50398606 CCN(CC)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
BDBM50389451 OC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
BDBM50389452 Brc1cccc(COc2ccc3occ(C=O)c(=O)c3c2)c1
BDBM50389453 COC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
BDBM50389461 OC1CC(=O)c2cc(OCc3cccc(Br)c3)ccc2O1
BDBM50389462 OC1CC(=O)c2c(OCc3ccc(Br)cc3)cccc2O1
BDBM50389454 CC(=O)c1c(O)cccc1OCc1ccc(Br)cc1
BDBM50389455 CC(=O)c1cc(OCc2cccc(Br)c2)ccc1O
BDBM50389456 CC(=O)c1cc(OCc2ccc(Br)cc2)ccc1O
BDBM50389457 CC(=O)c1ccc(OCc2cccc(Br)c2)cc1O
BDBM50389458 CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O
BDBM50389459 O=c1ccoc2cccc(OCc3ccccc3)c12
BDBM50389460 Brc1ccc(COc2cccc3occc(=O)c23)cc1
BDBM50389463 CC(=O)c1c(O)cccc1OCc1cccc(Br)c1
BDBM50384102 NC\C=C(\F)COc1ccc(cc1)C(N)=O
BDBM50384103 NC\C=C(\F)COc1ccc(cc1)C(=O)N1CCCC1
BDBM50384080 CN(C)C(=O)c1ccc(OC\C(F)=C/CN)cc1
BDBM50384081 NC\C=C(\F)COc1ccc(Oc2ccccc2)cc1
BDBM50384082 CN(Cc1ccccc1)C(=O)c1ccc(OC\C(F)=C/CN)cc1
BDBM50384083 NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
BDBM50384084 NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
BDBM50384085 NC\C=C(\F)COc1ccc(cc1)C(=O)NCc1ccccc1
BDBM50384086 CC(NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
BDBM50384087 C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
BDBM50384088 C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
BDBM50384089 NC\C=C(\F)COc1ccccc1
BDBM50384093 COc1ccc(OC\C(F)=C/CN)cc1
BDBM50384094 NC\C=C(\F)COc1cccc(Cl)c1
BDBM50384095 CSc1ccc(OC\C(F)=C/CN)cc1
BDBM50384096 CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
BDBM50384097 NC\C=C(\F)COc1ccc(OC(F)(F)F)cc1
BDBM50384098 NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
BDBM50384099 NC\C=C(\F)COc1ccc(F)c(F)c1
BDBM50384100 NC\C=C(\F)COc1ccc(cc1)C(F)(F)F
BDBM50384101 NC\C=C(\F)COc1cccc(c1)C(F)(F)F
BDBM50388014 CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O
BDBM50388015 CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
BDBM50388016 CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)C1=O
BDBM50388017 C\N=C1/NC(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
BDBM50388018 C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
BDBM50388019 C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccccc23)N1C
BDBM50388020 CN1C(N)=NC(=Cc2c[nH]c3c(Br)cccc23)C1=O |w:6.6,c:3|
BDBM50388021 CN1C(N)=NC(=Cc2c[nH]c3ccc(Br)cc23)C1=O |w:6.6,c:3|
BDBM50388023 CN1C(N)=NC(=Cc2c[nH]c3cccc(Br)c23)C1=O |w:6.6,c:3|
BDBM50387977 C\N=C1/NC(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
BDBM50388024 NC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1 |w:4.4,t:1|
BDBM50387978 CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:5.5,t:2|
BDBM50387979 Brc1ccc2c(\C=C3/NC(=S)NC3=O)c[nH]c2c1
BDBM50387980 C\N=C1/NC(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
BDBM50387982 CN1C(N)=NC(=Cc2c[nH]c3ccccc23)C1=O |w:6.6,c:3|
BDBM50387983 CN1C(=N)NC(=O)\C1=C/c1c[nH]c2c(Br)cccc12
BDBM50387984 CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cc(Br)ccc12
BDBM50387985 CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccc(Br)cc12
BDBM50387986 CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cccc(Br)c12
BDBM50387987 CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccccc12
BDBM50387988 NC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1 |w:4.4,t:1|
BDBM50387989 NC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:4.4,t:1|
BDBM50387990 NC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:4.4,t:1|
BDBM50387991 NC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:4.4,t:1|
BDBM50387992 CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:5.5,t:2|
BDBM50387993 CSC1=NC(=O)C(N1)=Cc1c[nH]c2cccc(Br)c12 |w:8.9,t:2|
BDBM50387994 Brc1cccc2c(\C=C3/NC(=S)NC3=O)c[nH]c12
BDBM50387995 Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
BDBM50387996 CNC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1C |w:5.5,t:2|
BDBM50387997 CNC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1 |w:5.5,t:2|
BDBM50387998 CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1 |w:5.5,t:2|
BDBM50387999 CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:5.5,t:2|
BDBM50388000 CSC1=NC(=O)C(N1)=Cc1c[nH]c2c(Br)cccc12 |w:8.9,t:2|
BDBM50388001 CSC1=NC(=O)C(N1)=Cc1c[nH]c2cc(Br)ccc12 |w:8.9,t:2|
BDBM50388002 CSC1=NC(=O)C(N1)=Cc1c[nH]c2ccc(Br)cc12 |w:8.9,t:2|
BDBM50388003 CSC1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1 |t:2|
BDBM50388004 Brc1ccc2[nH]cc(\C=C3/NC(=S)NC3=O)c2c1
BDBM50387981 C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
BDBM50388005 O=C1NC(=S)NC1=Cc1c[nH]c2ccccc12 |w:7.8|
BDBM50388006 C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
BDBM50388007 C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
BDBM50388008 C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
BDBM50388009 C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
BDBM50388010 CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1C |w:5.5,t:2|
BDBM50388011 CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1C |w:5.5,t:2|
BDBM50388012 CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1C |w:5.5,t:2|
BDBM50388013 CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1C |w:5.5,t:2|
BDBM50393874 CC(C)CCSc1ccc2C(=O)NC(=O)c2c1
BDBM50393875 O=C1NC(=O)c2cc(SC3CCCCC3)ccc12
BDBM50392713 N#Cc1ccc(cc1)-c1csc(N=NCc2cccs2)n1 |w:12.12|
BDBM50392714 CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1nccs1 |w:3.3|
BDBM50392715 CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccccn1 |w:3.3|
BDBM50392716 CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccncc1 |w:3.3|
BDBM50392717 CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1nccs1 |w:3.3|
BDBM50392718 CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccccn1 |w:3.3|
BDBM50392719 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccco1 |w:3.3|
BDBM50392720 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1nccs1 |w:3.3|
BDBM50392721 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccccc1 |w:3.3|
BDBM50392722 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1 |w:3.3|
BDBM50392723 Fc1ccc(-c2csc(N=NCc3ccco3)n2)c(F)c1 |w:9.8|
BDBM50392724 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1nccs1 |w:3.3|
BDBM50392725 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccccc1 |w:3.3|
BDBM50392727 Fc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)c(F)c1 |w:9.8|
BDBM50392728 N#Cc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:12.12|
BDBM50392729 CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1cccs1 |w:3.3|
BDBM50392730 N#Cc1ccc(cc1)-c1csc(N=NCc2cccnc2)n1 |w:12.12|
BDBM50392731 CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1cccnc1 |w:3.3|
BDBM50392732 N#Cc1ccc(cc1)-c1csc(N=NCc2ccncc2)n1 |w:12.12|
BDBM50392733 N#Cc1ccc(cc1)-c1csc(N=NCc2cccc3ccccc23)n1 |w:12.12|
BDBM50392734 N#Cc1ccc(cc1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:12.12|
BDBM50392735 N#Cc1ccc(cc1)-c1csc(N=NCc2ccc3OCOc3c2)n1 |w:12.12|
BDBM50392736 CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccco1 |w:3.3|
BDBM50392737 CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1cccs1 |w:3.3|
BDBM50392738 CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccncc1 |w:3.3|
BDBM50393876 O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12
BDBM50393877 Brc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393878 Clc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50392741 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1cccs1 |w:3.3|
BDBM50392742 Fc1ccc(cc1)-c1csc(N=NCc2cccnc2)n1 |w:11.11|
BDBM50392743 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1cccnc1 |w:3.3|
BDBM50392744 Fc1ccc(cc1)-c1csc(N=NCc2ccncc2)n1 |w:11.11|
BDBM50392745 CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccncc1 |w:3.3|
BDBM50392746 Fc1ccc(cc1)-c1csc(N=NCc2cccc3ccccc23)n1 |w:11.11|
BDBM50392747 Fc1ccc(cc1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:11.11|
BDBM50392748 Fc1ccc(cc1)-c1csc(N=NCc2ccc3OCOc3c2)n1 |w:11.11|
BDBM50392749 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccco1 |w:3.3|
BDBM50392750 Fc1ccc(-c2csc(N=NCc3cccs3)n2)c(F)c1 |w:9.8|
BDBM50392751 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1cccs1 |w:3.3|
BDBM50392752 Fc1ccc(-c2csc(N=NCc3cccnc3)n2)c(F)c1 |w:9.8|
BDBM50392753 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1cccnc1 |w:3.3|
BDBM50392754 Fc1ccc(-c2csc(N=NCc3ccncc3)n2)c(F)c1 |w:9.8|
BDBM50392755 CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccncc1 |w:3.3|
BDBM50392756 Fc1ccc(-c2csc(N=NCc3cccc4ccccc34)n2)c(F)c1 |w:9.8|
BDBM50392757 Fc1ccc(-c2csc(N=NCc3ccc4OCOc4c3)n2)c(F)c1 |w:9.8|
BDBM50392758 C\C(=N\Nc1nc(cs1)-c1ccc(F)cc1F)c1cc2ccccc2oc1=O
BDBM50393879 O=C1NC(=O)c2cc(Sc3ccccc3)ccc12
BDBM50393880 COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393881 Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393882 Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393883 Clc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393884 O=C1NC(=O)c2cc(SCc3ccccc3)ccc12
BDBM50392739 Fc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:11.11|
BDBM50392740 Fc1ccc(cc1)-c1csc(N=NCc2cccs2)n1 |w:11.11|
BDBM50409078 Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
BDBM50409080 CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
BDBM50409081 Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50409083 O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
BDBM50409084 Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C#N)ccc12
BDBM50409067 O=c1ccc2ccc(COc3ccccc3)cc2o1
BDBM50409085 C(Oc1ccc2OCOc2c1)c1ccccc1
BDBM50409068 COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50409070 Cc1c(C)c(=O)oc2cc(NC(=O)c3ccccc3)ccc12
BDBM50409071 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C(F)(F)F)ccc12
BDBM50409086 Cc1c(C)c(=O)oc2cc(NCc3ccccc3)ccc12
BDBM50409088 Cc1c(C)c(=O)oc2cc(O)c(OCc3ccccc3)cc12
BDBM50409089 O=c1ccc2ccc(CNc3ccccc3)cc2o1
BDBM50409090 Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc12
BDBM50409091 Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
BDBM50409092 O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
BDBM50409093 COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
BDBM50409095 Cc1cc(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
BDBM50409096 Cc1c(C)c(=O)oc2cc(OCc3ccccc3)c(O)cc12
BDBM50409097 Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50409099 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
BDBM50409101 O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
BDBM50409102 Cc1c(C)c(=O)oc2cc(OCc3cccc(OC(F)(F)F)c3)ccc12
BDBM50409104 Cc1c(C)c(=O)oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc12
BDBM50409107 Cc1c(C)c(=O)oc2cc(OCc3ccccc3C#N)ccc12
BDBM50409110 O=c1oc2cc(OCc3ccccc3)ccc2s1
BDBM50409111 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12
BDBM50411203 O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
BDBM50411204 O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2o1
BDBM50402241 Clc1ccc(Sc2ccc(cc2)C#N)cc1
BDBM50402242 N#Cc1ccc(Sc2ccccc2)cc1
BDBM50402243 COc1ccc(CSc2ccc(cc2)C#N)cc1
BDBM50402244 Fc1ccc(CSc2ccc(cc2)C#N)cc1
BDBM50402245 Brc1ccc(CSc2ccc(cc2)C#N)cc1
BDBM50402246 Clc1ccc(CSc2ccc(cc2)C#N)cc1
BDBM50402328 Cn1c(SCCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402329 Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402330 Cn1c(SCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402331 COc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50402332 Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50402333 Cn1c(SCCc2ccc(cc2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402334 Cn1c(SCCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402335 Cn1c(SCCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402336 Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402247 N#Cc1ccc(SCc2ccccc2)cc1
BDBM50402248 CC(C)CCSc1ccc(C#N)c(c1)C#N
BDBM50402249 N#Cc1ccc(SC2CCCC2)cc1C#N
BDBM50402250 N#Cc1ccc(SC2CCCCC2)cc1C#N
BDBM50401980 O=C(N1CCCCCC1)c1ccc2OCOc2c1
BDBM50401981 O=C(NC1CCCC1)\C=C\c1ccc2OCOc2c1
BDBM50402229 N#Cc1ccc(SCCc2ccccc2)cc1C#N
BDBM50402230 Brc1ccc(Sc2ccc(C#N)c(c2)C#N)cc1
BDBM50402231 Clc1ccc(Sc2ccc(C#N)c(c2)C#N)cc1
BDBM50401982 O=C(CN1CCCCC1)c1ccc2OCOc2c1
BDBM50401983 O=C(\C=C\c1ccc2OCOc2c1)N1CCCC1
BDBM50401984 CC1CCN(CC1)C(=O)\C=C\c1ccc2OCOc2c1
BDBM50402232 N#Cc1ccc(Sc2ccccc2)cc1C#N
BDBM50402233 COc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
BDBM50402234 Fc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
BDBM50402317 Cn1c(SCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402318 Cn1c(SCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50401985 O=C(\C=C\c1ccc2OCOc2c1)N1CCOCC1
BDBM50401986 O=C(NC1CCCCC1)\C=C\c1ccc2OCOc2c1
BDBM50401987 S=C(N1CCCCC1)c1ccc2OCOc2c1
BDBM50402235 Brc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
BDBM50402236 Clc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
BDBM50402237 N#Cc1ccc(SCc2ccccc2)cc1C#N
BDBM50402319 Cn1c(SCCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402320 Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402321 Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50402322 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)Cc1ccccc1
BDBM50402238 N#Cc1ccc(SC2CCCCC2)cc1
BDBM50402239 N#Cc1ccc(SCCc2ccccc2)cc1
BDBM50402240 Brc1ccc(Sc2ccc(cc2)C#N)cc1
BDBM50402323 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(F)cc1
BDBM50402324 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Br)cc1
BDBM50402325 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Cl)cc1
BDBM50402326 COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50402327 Cc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50417281 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
BDBM50417282 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
BDBM50417283 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccccc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
BDBM50417284 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
BDBM50417285 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
BDBM50417286 [#6]-[#8]-c1ccc(cc1)-[#6]-1-[#6]-[#6](=[#7]-[#7]-1-[#6](-[#6])=O)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8] |c:11|
BDBM50427008 [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
BDBM50425512 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12
BDBM50425513 Cn1c(\C=C\c2ccccc2)nc2ccn(C)c(=O)c12
BDBM50425471 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
BDBM50425472 Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425473 Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425474 Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425475 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1
BDBM50425476 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1
BDBM50425477 Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50425478 Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425479 CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50425480 Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425481 CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50425482 COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
BDBM50425483 Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425484 Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425485 Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425486 Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425487 COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50425488 Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
BDBM50425489 Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
BDBM50425490 CCn1c2cc(OCc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50425491 CCn1c2cc(C#Cc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50425492 CCn1c2cc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM50425493 CCn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425494 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1nc2ccc(Cl)cc2o1
BDBM50425495 Cn1c(NC(=O)c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425496 Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425497 Cn1c(Oc2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425498 Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#CCc1ccccc1
BDBM50425499 Cn1c(\C=C\c2ccccc2O)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425500 Cn1c(\C=C\c2ccc(O)cc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425501 Cn1c(\C=C\c2cccc(O)c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425502 Cn1c(\C=C\c2ccncc2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425503 Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425504 Cn1c(\C=C\c2cccc(c2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425505 CC(=O)c1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50425506 Cn1c(\C=C\c2cccc(N)n2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425507 Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425508 Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425509 Cn1c(\C=C\c2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
BDBM50425510 Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
BDBM50425511 CN(C(=O)\C=C\c1ccccc1)c1cn(C)c(=O)n(C)c1=O
BDBM50421648 CCOC(=O)c1cc2cc(Cl)ccc2cc1O
BDBM50421649 Cc1ccc2cc(O)c(cc2c1)C(O)=O
BDBM50421650 OC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
BDBM50421651 Oc1cc2ccccc2cc1C(Cl)=O
BDBM50421652 Oc1cc2ccc(cc2cc1C(Cl)=O)[N+]([O-])=O
BDBM50421653 OC(=O)c1cc2cc(Cl)ccc2cc1O
BDBM50421654 CCOC(=O)c1cc2ccccc2cc1O
BDBM50421655 Oc1cc2ccc(Cl)cc2cc1C(Cl)=O
BDBM50421656 CCOC(=O)c1cc2cc(Br)ccc2cc1O
BDBM50430725 COc1ccc(C[C@@H](C)N(CCCCCCNc2c3CCCCc3nc3ccccc23)CC#C)cc1 |r|
BDBM50430726 C[C@H](Cc1ccc(OCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
BDBM50430727 C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
BDBM50430728 C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
BDBM50430729 C[C@H](Cc1ccc(OCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
BDBM50430730 C[C@H](Cc1ccc(OCCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430731 C[C@H](Cc1ccc(OCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430732 C[C@H](Cc1ccc(OCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430733 C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430734 C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430735 C[C@H](Cc1ccc(OCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430736 C[C@H](Cc1ccc(OCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50430737 C[C@H](Cc1ccc(OCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
BDBM50421588 CC(=O)C=CC=CCOc1ccc2ccc(=O)oc2c1 |w:5.4,3.2|
BDBM50431165 Oc1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM50421643 CCOC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
BDBM50421644 Oc1cc2ccc(Br)cc2cc1C(Cl)=O
BDBM50421645 OC(=O)c1cc2cc(Br)ccc2cc1O
BDBM50421646 CCOC(=O)c1cc2cc(C)ccc2cc1O
BDBM50421647 Cc1ccc2cc(O)c(cc2c1)C(Cl)=O
BDBM50420969 CCOc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50420970 Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420971 Cn1c(CSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420972 Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420973 Cn1c(CSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420974 Cn1c(CSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420975 Cn1c(CSc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420976 Cc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50420977 COc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50420978 Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420979 Cn1c(COc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420980 Cn1c(COc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420981 Cn1c(COc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420982 Cc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50420983 Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420984 Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420985 Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420986 Cn1c(CCSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420987 Cn1c(CCSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420988 Cn1c(CCSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420989 Cn1c(CCSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420990 Cn1c(COc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420991 COc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
BDBM50420992 Cn1c(CCSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420209 COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1
BDBM50428629 Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O |w:6.6|
BDBM50428630 Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6|
BDBM50428631 Cc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6|
BDBM50428632 Oc1ccccc1C(=O)CC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:12.12|
BDBM50428633 COc1cc(C=CC(=O)CC(=O)c2c(O)cccc2OC)ccc1O |w:6.6|
BDBM50428634 Oc1ccc(F)cc1C(=O)CC(=O)C=Cc1ccccc1 |w:13.13|
BDBM50428636 Oc1ccc(F)cc1C(=O)\C=C\c1ccccc1
BDBM50428637 Oc1ccccc1C(=O)\C=C\C=C\c1ccc(cc1)[N+]([O-])=O
BDBM50428638 COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2O)ccc1O
BDBM50428639 COc1ccc(\C=C\C=C\C(=O)c2c(O)cccc2O)cc1OC
BDBM50428640 COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2OC)ccc1O
BDBM50428641 COc1cc(\C=C\C=C\C(=O)c2ccccc2O)ccc1O
BDBM50428642 COc1ccc(\C=C\C=C\C(=O)c2ccccc2O)cc1OC
BDBM50428643 COc1ccc(\C=C\C=C\C(=O)c2ccccc2O)cc1
BDBM50428644 COc1ccc(\C=C\C=C\C(=O)c2cc(F)ccc2O)cc1
BDBM50428645 Oc1ccc(F)cc1C(=O)\C=C\C=C\c1ccccc1
BDBM50428646 Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
BDBM50428647 COc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
BDBM50428648 Oc1ccccc1C(=O)\C=C\C=C\c1ccc(Cl)cc1
BDBM50428649 Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccc(Cl)cc1
BDBM50428650 Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccc(cc1)[N+]([O-])=O
BDBM50428651 Oc1ccccc1C(=O)\C=C\C=C\c1ccccc1
BDBM50428652 COc1ccc(\C=C\C=C\C(=O)c2cc(Cl)ccc2O)cc1
BDBM50428653 Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccccc1
BDBM50428654 CC(C)C[C@@H](CF)N(C)CC#C |r|
BDBM50428655 CN(CC#C)[C@H](CF)Cc1ccco1 |r|
BDBM50428656 CN(CC#C)[C@H](CF)CC(C)=C |r|
BDBM50421581 CC1(OC(\C=C\COc2ccc3ccc(=O)oc3c2)=CC1=O)c1ccccc1 |c:20|
BDBM50421582 Cc1cc(=O)oc2cc(OC\C=C\C3=CC(=O)C(C)(C)O3)ccc12 |t:13|
BDBM50421583 C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
BDBM50421584 CC1(C)OC(\C=C\COc2ccc3ccc(=O)oc3c2)=CC1=O |c:21|
BDBM50421585 Cc1cc2ccc(OC\C=C\C3=CC(=O)C(C)(C)O3)cc2oc1=O |t:11|
BDBM50421586 C\C(=C/COc1ccc2c(C)c(C)c(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:20|
BDBM50421587 Cc1c(C)c(=O)oc2cc(OC\C=C\C3=CC(=O)C(C)(C)O3)ccc12 |t:14|
BDBM50445336 NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
BDBM50445349 N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
BDBM50013752 CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)C#N
BDBM50013753 CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
BDBM50013754 C[C@@H]1CC\C(C1)=N\Nc1nc(cs1)-c1ccc(F)cc1F |r|
BDBM50013755 CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1
BDBM50013756 CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1F
BDBM50013747 C[C@@H]1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F |r|
BDBM50013748 CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F
BDBM50013749 CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
BDBM50013750 CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)C#N
BDBM50013751 CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1
BDBM50016100 O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O
BDBM50016101 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)NCCCN1CCOCC1
BDBM50016102 CCCCCCN(CCCCCC)C(=O)c1cc2ccccc2oc1=O
BDBM50016112 Cc1ccccc1NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
BDBM50016113 COc1ccccc1NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
BDBM50016114 Cc1cccc(NC(=O)c2cc3cc(ccc3oc2=O)[N+]([O-])=O)c1
BDBM50016115 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50016103 CC(C)(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50016104 CCC(C)NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
BDBM50016105 Cc1ccccc1NC(=O)c1cc2ccccc2oc1=O
BDBM50016106 COc1ccccc1NC(=O)c1cc2ccccc2oc1=O
BDBM50016107 Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50016108 COc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50016109 Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1
BDBM50016110 FC(F)(F)c1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1
BDBM50016111 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCCN1CCOCC1
BDBM50017423 O=C1CCCc2cc(OCc3ccccc3)ccc12
BDBM50017424 Fc1cccc(COc2ccc3C(=O)CCCc3c2)c1
BDBM50017426 Clc1cccc(COc2ccc3C(=O)CCCc3c2)c1
BDBM50017428 Brc1cccc(COc2ccc3C(=O)CCCc3c2)c1
BDBM50017430 Ic1cccc(COc2ccc3C(=O)CCCc3c2)c1
BDBM50017475 Cc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017508 FC(F)(F)c1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017512 O=C1CCCc2cc(OCCCc3ccccc3)ccc12
BDBM50017515 Oc1ccc2C(=O)CCCc2c1
BDBM50022003 CC(C)(C)NC(=O)c1cc2ccccc2oc1=O
BDBM50022022 CC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50022023 CCC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50022024 CCCCCCN(CCCCCC)C(=O)c1cc2cc(Br)cc(Br)c2oc1=O
BDBM50022025 Brc1ccc(SC(=O)c2cc3ccccc3oc2=O)cc1
BDBM50022026 O=C(SCc1ccco1)c1cc2ccccc2oc1=O
BDBM50022027 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)SCc1ccco1
BDBM50022028 O=C(Sc1ncccn1)c1cc2ccccc2oc1=O
BDBM50022029 CCCCSC(=O)c1cc2ccccc2oc1=O
BDBM50022049 Brc1ccc(SC(=O)c2cc3cc(Br)c(Br)cc3oc2=O)cc1
BDBM50022059 Brc1cc2cc(C(=O)SCc3ccco3)c(=O)oc2cc1Br
BDBM50022060 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Sc1ccc(Br)cc1
BDBM50022061 FC(F)(F)c1ccc2oc(=O)c(cc2c1)C(=O)Sc1ccc(Br)cc1
BDBM50017425 Fc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017427 Clc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017429 Brc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017471 Ic1ccc(COc2ccc3C(=O)CCCc3c2)cc1
BDBM50017491 O=C1CCCc2cc(OCc3cccc(c3)C#N)ccc12
BDBM50017502 O=C1CCCc2cc(OCc3ccc(cc3)C#N)ccc12
BDBM50017511 O=C1CCCc2cc(OCCc3ccccc3)ccc12
BDBM50018671 Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
BDBM50022656 CC1=C(\C=N\NC(N)=O)C(C)(C)CC=C1 |c:1,13|
BDBM50022657 CC1=C(\C=N\NC(N)=S)C(C)(C)CC=C1 |c:1,13|
BDBM50022658 CN(\N=C\C1=C(C)C=CCC1(C)C)C(N)=S |c:4,7|
BDBM50022659 CC1=C(\C=N\NC(=S)Nc2ccccc2)C(C)(C)CC=C1 |c:1,20|
BDBM50022660 CC1=C(\C=N\N=C2\NC(=O)CS2)C(C)(C)CC=C1 |c:1,17|
BDBM50022661 CC1=C(\C=N\N=C2/SCC(=O)N2Cc2ccccc2)C(C)(C)CC=C1 |c:1,25|
BDBM50022662 CC1=C(\C=N\Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)C(C)(C)CC=C1 |c:1,26|
BDBM50060645 Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12
BDBM50060581 Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)Cn1ccnc1 |t:8|
BDBM50060583 Oc1ccccc1C1CC(=NN1C(=O)Cn1ccnc1)c1ccccc1 |c:10|
BDBM50060584 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)Cn1ccnc1 |t:8|
BDBM50060585 Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:11|
BDBM50060586 Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(F)cc1 |c:11|
BDBM50060588 COc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:9|
BDBM50060596 Oc1ccc(\C=N\c2ccc3c4CCCc4c(=O)oc3c2)c(O)c1
BDBM50060598 Oc1ccc(\C=N\c2ccc3c4CCCCc4c(=O)oc3c2)c(O)c1
BDBM50060619 Cc1c(Cl)c(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
BDBM50060620 Cc1c(C)c(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
BDBM50060623 Oc1ccccc1\C=N\c1ccc2c3CCCCc3c(=O)oc2c1
BDBM50060624 Cc1c(Cl)c(=O)oc2cc(ccc12)\N=C\c1ccccc1O
BDBM50060625 Cc1c(C)c(=O)oc2cc(ccc12)\N=C\c1ccccc1O
BDBM50060626 Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccc(Br)cc1O
BDBM50060637 Cc1ccc(\C=N\c2ccc3c(C)cc(=O)oc3c2)c(O)c1
BDBM50079505 COc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50075962 OC(=O)C([O-])=O.COc1cccc(c1)C(=C)C[NH+](C)CC#C
BDBM50060638 COc1ccc(\C=N\c2ccc3c(C)cc(=O)oc3c2)c(O)c1
BDBM50060640 Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccccc1O
BDBM50060641 Oc1ccccc1CNc1ccc2c3CCCc3c(=O)oc2c1
BDBM50060642 Oc1ccccc1CNc1ccc2c3CCCCc3c(=O)oc2c1
BDBM50060643 Cc1c(Cl)c(=O)oc2cc(NCc3ccccc3O)ccc12
BDBM50060644 Cc1c(C)c(=O)oc2cc(NCc3ccccc3O)ccc12
BDBM50060646 Cc1c(C)c(=O)[nH]c2cc(ccc12)\N=C\c1ccccc1O
BDBM50065382 Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1
BDBM50065385 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
BDBM50079514 O=c1ccc2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50079516 O=c1ccc2ccc(OCCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50079517 O=c1ccc2ccc(OCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50060562 Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(Cl)cc1 |c:11|
BDBM50060564 Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:8|
BDBM50060567 Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(F)cc1 |c:10|
BDBM50060568 Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccccc1 |c:10|
BDBM50060569 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1 |t:8|
BDBM50060570 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1 |t:9|
BDBM50060572 Oc1ccccc1C1CC(=NN1C(=O)CBr)c1ccc(F)cc1 |c:10|
BDBM50060573 CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCC(CO)CC1 |t:1|
BDBM50060574 CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCN(CCO)CC1 |t:1|
BDBM50060575 CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCC(=O)CC1 |t:1|
BDBM50060576 CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCCCC1 |t:1|
BDBM50060577 CC1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:1|
BDBM50060578 CC1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:1|
BDBM50048540 Cc1ccc(\C=C\C(=O)c2cc(Cl)ccc2O)cc1
BDBM50048541 Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2O)cc1
BDBM50067551 C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r|
BDBM50068019 C(COc1ccc2OCOc2c1)Cc1ccccc1
BDBM50046851 COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
BDBM50046853 COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
BDBM50046854 COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
BDBM50048615 Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(O)cc1
BDBM50048616 COc1ccc(cc1)\C(\C=C\c1ccc(C)cc1)=N/NC(=O)c1snnc1C
BDBM50048613 COc1ccc(\C=C\C(=N\NC(=O)c2snnc2C)\c2ccc(Cl)cc2)cc1
BDBM50048614 COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Cl)cc2)cc1
BDBM50068026 C(Cc1ccccc1)Oc1ccc2OCCOc2c1
BDBM50046858 Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1F
BDBM50046860 Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
BDBM50046862 Clc1cc(Cl)cc(NC(=O)c2ccc3cn[nH]c3c2)c1
BDBM50046863 Clc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
BDBM50046870 Clc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1Cl
BDBM50046871 Clc1cc(NC(=O)c2ccc3[nH]ncc3c2)cnc1Cl
BDBM50046873 COc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
BDBM50046874 Oc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
BDBM50046875 COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
BDBM50046876 COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
BDBM50048542 COc1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
BDBM50048543 Cc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
BDBM50048545 COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
BDBM50048546 Cc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
BDBM50048547 COc1ccc(cc1)C(=O)\C=C\c1ccc(C)cc1
BDBM50048548 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccncc1)c1cc(Cl)ccc1O |r,c:10|
BDBM50048550 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Cl)ccc1O |r,c:10|
BDBM50048551 COc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Cl)ccc1O |r,c:12|
BDBM50048552 Cc1nnsc1C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Cl)ccc1O |r,c:10|
BDBM50068029 Clc1ccc(OCCOc2ccc3OCCOc3c2)cc1
BDBM50068087 Clc1ccc(OCCOc2ccc3OCOc3c2)cc1
BDBM50046877 Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
BDBM50046878 Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
BDBM50046879 Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
BDBM50046880 Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
BDBM50046882 Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
BDBM50046883 Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
BDBM50046884 Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
BDBM50046930 Cn1cc(ccc1=O)C(=O)Nc1ccc2[nH]ncc2c1
BDBM50046937 Clc1cc(cnc1N1CCOCC1)C(=O)Nc1ccc2cn[nH]c2c1
BDBM50046942 Oc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
BDBM50048555 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Br)ccc1O |r,c:10|
BDBM50048556 COc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Br)ccc1O |r,c:12|
BDBM50048554 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccco1)c1cc(Br)ccc1O |r,c:10|
BDBM166630 O=C1CCCc2ccc(OCc3ccccc3)cc12
BDBM166631 O=C1CCCc2ccc(OCCc3ccccc3)cc12
BDBM166632 O=C1CCCc2ccc(OCCCc3ccccc3)cc12
BDBM166633 Fc1cccc(COc2ccc3CCCC(=O)c3c2)c1
BDBM166634 Fc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM166635 Clc1cccc(COc2ccc3CCCC(=O)c3c2)c1
BDBM166636 Clc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM50046943 Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
BDBM50046945 Clc1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl
BDBM50046946 Clc1ccc(NC(=O)c2ccc3nncn3c2)cc1Cl
BDBM50046948 Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
BDBM50046950 Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
BDBM50048570 COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Br)cc2)cc1
BDBM50048596 COc1ccc(\C=C\C(=N/NC(=O)c2ccco2)\c2ccc(Br)cc2)cc1
BDBM166637 Brc1cccc(COc2ccc3CCCC(=O)c3c2)c1
BDBM166638 Brc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM166639 Ic1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM166640 Cc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM166641 O=C1CCCc2ccc(OCc3cccc(c3)C#N)cc12
BDBM166642 O=C1CCCc2ccc(OCc3ccc(cc3)C#N)cc12
BDBM166643 FC(F)(F)c1cccc(COc2ccc3CCCC(=O)c3c2)c1
BDBM166644 FC(F)(F)c1ccc(COc2ccc3CCCC(=O)c3c2)cc1
BDBM166645 Oc1ccc2CCCC(=O)c2c1
BDBM50048598 Cc1ccc(\C=C\C(=N/NC(=O)c2cccs2)\c2ccc(Cl)cc2)cc1
BDBM50048606 Cc1nnsc1C(=O)N\N=C(\C=C\c1cccc(C)c1)/c1ccc(Cl)cc1
BDBM50069802 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
BDBM50069807 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
BDBM50069808 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
BDBM50069810 COc1ccc(COc2ccc3[nH]c(CN(C)CC#C)cc3c2)c2cccnc12
BDBM50069811 COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12
BDBM50069803 OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
BDBM50069804 CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
BDBM50069806 C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
BDBM50068027 C(COc1ccc2OCCOc2c1)Cc1ccccc1
BDBM50068028 C(COc1ccc2OCCOc2c1)Oc1ccccc1
BDBM50068030 Brc1ccc(OCCOc2ccc3OCCOc3c2)cc1
BDBM50068068 Brc1ccc(OCCOc2ccc3OCOc3c2)cc1
BDBM50068088 C(COc1ccc2OCOc2c1)Oc1ccccc1
BDBM50067545 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123|
BDBM50067546 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50067547 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84|
BDBM50067548 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85|
BDBM50067549 C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50067555 C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
BDBM50067587 C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50067543 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50067544 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122|
BDBM50068020 C(Cc1ccccc1)Oc1ccc2OCOc2c1
BDBM50068021 Brc1cccc(COc2ccc3OCOc3c2)c1
BDBM50068023 C(Oc1ccc2OCCOc2c1)c1ccccc1
BDBM50068024 Clc1cccc(COc2ccc3OCCOc3c2)c1
BDBM50068025 Brc1cccc(COc2ccc3OCCOc3c2)c1
BDBM50079512 O=c1ccc2ccc(OCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50079513 O=c1ccc2ccc(OCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM195564 O=C1\C(Cc2ccccc12)=C\c1ccc[nH]1
BDBM158501 COc1ccc(CN(C)CC#C)c2cccnc12
BDBM158502 CN(CCc1ccc(O)c2ncccc12)CC#C
BDBM158503 CN(CCCc1ccc(O)c2ncccc12)CC#C
BDBM50093083 Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
BDBM50069805 C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
BDBM50069809 CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
BDBM50079508 Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50063515 COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
BDBM50063516 On1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
BDBM50063517 Cn1c(-c2cccs2)c(Cl)c2cc(C#N)c(cc12)C#N
BDBM50063518 Cc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
BDBM50063519 COc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
BDBM50063521 Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1cccs1
BDBM50063522 Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
BDBM50063524 Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1ccccc1
BDBM50063525 COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1OC)C#N
BDBM50023745 Cl.CC[C@@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50063526 Cc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
BDBM50023731 Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023732 OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023733 Cl.N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023734 Cl.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023735 Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 |r|
BDBM50023740 Cl.CC[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023742 Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 |r|
BDBM50023743 Cl.CCC[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023744 Cl.CC[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023746 Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023747 Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023748 Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
BDBM50023753 Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
BDBM50063520 Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)-c1ccccc1
BDBM50075945 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(C)c(C)c1
BDBM50075946 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(F)c(F)c1
BDBM50075947 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)c(Cl)c1
BDBM50075948 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(F)c(C)c1
BDBM50075949 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
BDBM50068022 Clc1cccc(COc2ccc3OCOc3c2)c1
BDBM50078892 Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50078893 Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078894 Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50075950 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
BDBM50075951 Cl.CN(CC#C)CC(=C)c1ccccc1
BDBM50075952 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccoc1
BDBM50075953 Cl.CN(CC#C)CC(=C)c1cccs1
BDBM50075954 Cl.C=C(CNCC#C)c1ccccc1
BDBM50075955 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)CCc1ccccc1
BDBM50075957 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
BDBM50075958 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
BDBM50075960 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(F)c1
BDBM50075961 Cl.CN(CC#C)CC(=C)c1ccc(F)cc1
BDBM50078895 Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078896 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078898 Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50075963 Cl.COc1ccc(cc1)C(=C)CN(C)CC#C
BDBM50075964 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(OCc2ccccc2)c1
BDBM50075966 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(COc2ccccc2)cc1
BDBM50075967 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1
BDBM50075968 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(CNc2ccccc2)cc1
BDBM50075969 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
BDBM50075970 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(OCc2ccc(F)cc2)c1
BDBM50075971 OC(=O)C([O-])=O.COc1cccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
BDBM50075972 OC(=O)C([O-])=O.COc1ccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
BDBM50075973 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2cccc(F)c2)c1
BDBM50075974 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1
BDBM50075975 OC(=O)C([O-])=O.COc1cccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
BDBM50075994 OC(=O)C([O-])=O.COc1ccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
BDBM50075995 OC(=O)C([O-])=O.C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1
BDBM50046852 Oc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
BDBM50046865 Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50046866 Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50046872 Oc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
BDBM50046881 O=C(Nc1ccccc1)c1ccc2[nH]ncc2c1
BDBM50046886 Fc1cccc(Cl)c1C(=O)Nc1ccc2[nH]ncc2c1
BDBM50048544 Cc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1
BDBM50048549 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccco1)c1cc(Cl)ccc1O |r,c:10|
BDBM50046944 Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50048553 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccncc1)c1cc(Br)ccc1O |r,c:10|
BDBM50048562 Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1cccs1)c1cc(Br)ccc1O |r,c:10|
BDBM50048603 Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(Cl)cc1
BDBM50023741 Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r|
BDBM50079501 Nc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50079503 FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50079504 CCOc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50079510 Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50060566 Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(Cl)cc1 |c:10|
BDBM50060579 Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCNCC1)c1ccc(F)cc1 |c:11|
BDBM50060589 Oc1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:10|
BDBM50075474 COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
BDBM50060595 Cc1cc(=O)[nH]c2cc(ccc12)\N=C\c1ccccc1O
BDBM50060621 Oc1ccccc1\C=N\c1ccc2c3CCCc3c(=O)oc2c1
BDBM50060639 Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
BDBM50063523 COc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
BDBM50046859 Fc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
BDBM50046949 Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
BDBM50075959 Cl.CN(CC#C)CC(=C)c1ccc(Br)cc1
BDBM50075965 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
BDBM50042276 Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1[N+]([O-])=O
BDBM50079500 O=c1oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc2c2CCCCc12
BDBM50079509 Cc1cc2ccc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2oc1=O
BDBM50075996 OC(=O)C([O-])=O.Fc1cccc(COc2cccc(c2)C(=C)C[NH2+]CC#C)c1
BDBM50079523 O=c1ccc2ccc(OCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50042275 Cc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)[N+]([O-])=O
BDBM50042279 Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1N
BDBM50042280 Cc1ccc2oc(=O)c(cc2c1)-c1cccc(N)c1
BDBM50042281 Cc1ccc2oc(=O)c(cc2c1)-c1ccc(N)cc1
BDBM50079515 O=c1ccc2ccc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50063994 NCCNC(=O)c1ccc(Cl)cc1
BDBM50065384 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
BDBM50065386 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
BDBM50080870 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50080871 Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50079522 O=c1ccc2ccc(OCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50042277 Cc1ccc2oc(=O)c(cc2c1)-c1cccc(c1)[N+]([O-])=O
BDBM50079506 Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
BDBM50079511 O=c1ccc2ccc(OCCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50079518 O=c1ccc2ccc(OCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
BDBM50041003 COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCC(F)(F)F)ccc12 |r|
BDBM50041004 COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCF)ccc12 |r|
BDBM50041005 COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCCF)ccc12 |r|
BDBM50041006 COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCCCF)ccc12 |r|
BDBM50075956 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1
BDBM50111770 C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
BDBM50111772 COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
BDBM50118002 Fc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
BDBM50118011 COc1ccc(OC(=O)\C=C\c2ccccc2Cl)cc1
BDBM50117981 COc1cccc(c1)C(=O)\C=C\c1ccccc1
BDBM50117996 FC(F)(F)c1ccccc1\C=C\C(=O)Nc1ccccc1
BDBM206298 Fc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
BDBM206299 O=C(CCCCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)Nc1ccccc1
BDBM206300 Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
BDBM206301 Fc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
BDBM206302 Clc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
BDBM206303 Cc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccc(Cl)cc2)nn1
BDBM206304 Clc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccc(Cl)cc2)nn1
BDBM206305 Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CCC(=O)Nc4ccccc4)nn3)ccc2o1
BDBM206306 Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206307 Fc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206308 Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CCCCC(=O)Nc4ccccc4)nn3)ccc2o1
BDBM206309 Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206310 Fc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206311 O=c1cc(oc2ccc(Cn3nncc3COc3ccccc3)cc12)-c1ccccc1
BDBM206312 Fc1ccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
BDBM206313 Clc1ccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
BDBM206314 Oc1cccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)c1
BDBM206315 O=c1cc(oc2ccc(Cn3nncc3COc3ccc(CNC4CC4)cc3)cc12)-c1ccccc1
BDBM50097477 COc1cccc(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c1O |r|
BDBM50097473 C[C@H](Cc1ccc(NCc2cc(Cl)ccc2O)cc1)N(C)CC#C |r|
BDBM50097475 COc1ccc(O)c(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c1 |r|
BDBM206316 O=c1cc(oc2ccc(Cn3nncc3CNc3ccccc3)cc12)-c1ccccc1
BDBM206317 Cc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
BDBM206318 Fc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
BDBM206319 Clc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
BDBM206320 Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CNc4ccccc4)nn3)ccc2o1
BDBM206321 Cc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM50097478 C[C@H](Cc1ccc(NCc2ccccc2O)cc1)N(C)CC#C |r|
BDBM50097479 C[C@H](Cc1ccc(NCc2ncccc2C)cc1)N(C)CC#C |r|
BDBM50127210 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3c(OC)cccc3oc2=O)cc1
BDBM50127232 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1
BDBM50127236 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(F)ccc3oc2=O)cc1
BDBM50127239 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(Br)c3oc2=O)cc1
BDBM50127243 COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
BDBM206324 Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(COc4ccccc4)nn3)ccc2o1
BDBM206322 Fc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206323 Clc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206325 Cc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206326 Fc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206327 Clc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
BDBM206328 Oc1cccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)c1
BDBM206329 Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(COc4ccc(CNC5CC5)cc4)nn3)ccc2o1
BDBM50097481 C[C@H](Cc1ccc(NCc2cc(O)ccc2O)cc1)N(C)CC#C |r|
BDBM50097480 COc1cccnc1CNc1ccc(C[C@@H](C)N(C)CC#C)cc1 |r|
BDBM50097482 C[C@H](Cc1ccc(NCc2cc(F)ccc2O)cc1)N(C)CC#C |r|
BDBM220860 CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM220861 CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1
BDBM220862 CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Cl)c1
BDBM220863 CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Br)c1
BDBM220864 CN(C)C(=O)c1ccc(SCC(CN)=CF)cc1 |w:14.14|
BDBM220866 CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220867 CCN(CC)C(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220868 CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220869 NC\C(COc1ccc(cc1)C(N)=O)=C\F
BDBM220870 NC\C(COc1ccc(cc1)C(N)=O)=C/F
BDBM220871 CN(C)C(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220872 CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C
BDBM220883 CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM220884 CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM220885 NC\C(COc1ccc(cc1)S(N)(=O)=O)=C\F
BDBM220873 COc1cc(ccc1OCC(CN)=CF)C(=O)N(C)C |w:13.14|
BDBM220874 NC\C(COc1ccc(cc1)S(N)(=O)=O)=C/F
BDBM220875 CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220876 CN(C)S(=O)(=O)c1cccc(OC\C(CN)=C/F)c1
BDBM220877 CNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220878 CNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM220879 CCNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220880 CCNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM220881 CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
BDBM220882 CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
BDBM195556 O=C1\C(Cc2ccccc12)=C\c1cccnc1
BDBM195557 COc1ccc2C(=O)\C(Cc2c1)=C\c1cccnc1
BDBM195558 O=C1\C(Cc2ccccc12)=C\c1ccccn1
BDBM195559 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccccn1
BDBM195560 Clc1ncccc1\C=C1/Cc2ccccc2C1=O
BDBM195561 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccco1
BDBM195562 O=C1\C(Cc2ccccc12)=C\c1cccs1
BDBM222330 Cc1ncc(\C=C\c2cccc(O)c2)c2COC(C)(C)Oc12
BDBM222331 Cc1ncc(\C=C\c2cccc(O)c2)c(CO)c1O
BDBM222332 Cc1ncc(\C=C\c2ccc(O)cc2)c(CO)c1O
BDBM222333 CN(C)Cc1ccc(\C=C\c2cnc(C)c(O)c2CO)cc1O
BDBM222334 CCN(CC)Cc1ccc(\C=C\c2cnc(C)c(O)c2CO)cc1O
BDBM222335 Cc1ncc(\C=C\c2ccc(CN3CCCC3)c(O)c2)c(CO)c1O
BDBM222336 Cc1ncc(\C=C\c2ccc(CN3CCCCC3)c(O)c2)c(CO)c1O
BDBM222337 Cc1ncc(\C=C\c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O
BDBM222338 CN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
BDBM195563 COc1ccc2C(=O)\C(Cc2c1)=C\c1cccs1
BDBM195566 O=C1\C(Cc2ccccc12)=C\C1CCCCC1
BDBM195567 COc1ccc2C(=O)\C(Cc2c1)=C\C1CCCCC1
BDBM195568 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(C)o1
BDBM195569 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Br)o1
BDBM222339 CCN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
BDBM222340 CCN(CC)Cc1ccc(\C=C\c2cnc(C)c3OC(C)(C)OCc23)cc1O
BDBM222341 Cc1ncc(\C=C\c2ccc(CN3CCCCC3)c(O)c2)c2COC(C)(C)Oc12
BDBM222342 CN1CCN(Cc2ccc(\C=C\c3cnc(C)c4OC(C)(C)OCc34)cc2O)CC1
BDBM222345 CN1CCN(Cc2cc(\C=C\c3cnc(C)c(O)c3CO)ccc2O)CC1
BDBM206293 O=C(NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)c1ccccc1
BDBM206294 Cc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1
BDBM206295 Clc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1
BDBM206296 O=C(CCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)Nc1ccccc1
BDBM206297 Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
BDBM50134798 Clc1cccc(\C=C\C(=O)c2ccccc2)c1
BDBM50151584 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50097474 C[C@H](Cc1ccc(NCc2cc(ccc2O)N(C)C)cc1)N(C)CC#C |r|
BDBM50097476 COc1ccc(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c(O)c1 |r|
BDBM50151583 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151586 CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151587 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50111768 C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
BDBM50111769 C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
BDBM50111771 C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
BDBM50111773 [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
BDBM50111774 [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
BDBM50111775 [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
BDBM50111776 [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
BDBM50111777 [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
BDBM50111778 [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
BDBM50111780 [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
BDBM50111781 CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
BDBM50111782 CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
BDBM50149963 O=C1COc2ccccc2C2CC(=NN12)c1ccccc1 |c:13|
BDBM50149973 COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:9|
BDBM50142080 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
BDBM50148939 CC(=O)N1N=C(O[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4|
BDBM50142187 FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142189 C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
BDBM50142237 FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142238 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50145629 Clc1cccc(COc2ccc3sc(=O)oc3c2)c1
BDBM50145630 Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
BDBM50145632 O=c1oc2cc(OCCCc3ccccc3)ccc2s1
BDBM50145633 O=C1OCc2cc(OCc3ccccc3)ccc12
BDBM50093230 Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
BDBM50097483 C[C@H](Cc1ccc(NCc2cc(ccc2O)[N+]([O-])=O)cc1)N(C)CC#C |r|
BDBM50134792 COc1ccc(C(=O)\C=C\c2ccc(Cl)s2)c(O)c1
BDBM50109535 CN(C)c1ccc(cc1)\N=C\c1ccccn1
BDBM50109537 CN(Cc1ccc(cc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C#C |^1:18|
BDBM50109538 CN(Cc1ccc(CC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1)C#C |^1:17|
BDBM50093233 Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
BDBM50134819 Fc1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1Br
BDBM50134820 Cc1ccc(s1)C(=O)\C=C\c1ccc(F)c(Br)c1
BDBM50093237 Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093236 CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093240 Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093329 Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
BDBM50093330 Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
BDBM50093332 Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
BDBM50140172 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
BDBM50093084 Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
BDBM50117988 COc1ccc(cc1)C(=O)\C=C\c1ccccc1Cl
BDBM50117999 Oc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
BDBM50118007 FC(F)(F)c1ccccc1\C=C\C(=O)Oc1ccccc1
BDBM50093212 CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
BDBM50093085 CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50147597 O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
BDBM50147601 Clc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147604 FC(F)(F)c1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147611 Cc1cc(=O)oc2cc(CNCCC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50093335 Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
BDBM50117987 COc1ccccc1C(=O)\C=C\c1ccccc1
BDBM50111779 [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
BDBM50111784 CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
BDBM50117990 COc1ccc(cc1)C(=O)\C=C\c1ccccc1OC
BDBM50117997 COc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
BDBM50118004 Fc1cccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c1
BDBM50118005 Fc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F
BDBM50118006 Fc1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
BDBM50118001 Oc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
BDBM50117993 COc1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
BDBM50111783 CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
BDBM50111785 COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
BDBM50145631 Cc1ccc(COc2ccc3sc(=O)oc3c2)cc1
BDBM50117979 COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
BDBM50117980 COc1cccc(c1)C(=O)\C=C\c1ccccc1C(F)(F)F
BDBM50117982 COc1ccccc1C(=O)\C=C\c1ccccc1C(F)(F)F
BDBM50117991 COc1ccc(cc1)C(=O)\C=C\c1cccc(OC)c1
BDBM50117994 Oc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
BDBM50117995 COc1ccccc1\C=C\C(=O)c1ccc(O)cc1
BDBM50117998 COc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
BDBM218822 CCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCC
BDBM218823 CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
BDBM218824 CCCCCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCCCCC
BDBM218825 COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1
BDBM218826 COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2Cl)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1Cl
BDBM50118000 Oc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
BDBM50118003 Fc1cccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
BDBM50118008 COc1ccc(OC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
BDBM218828 COC(=O)\C=C1/S\C(=N/C(=O)c2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM218829 CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
BDBM218831 COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1
BDBM218832 COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2Cl)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1Cl
BDBM218833 COC(=O)\C=C1/S\C(=N/C(=O)c2ccc(Cl)cc2)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccc(Cl)cc1
BDBM50148932 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccncc1 |c:4|
BDBM50148933 COc1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)c(Cl)c1)C(C)=O |t:9|
BDBM50148934 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 |c:4|
BDBM50093227 Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
BDBM50093238 Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
BDBM50148935 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |c:4|
BDBM50148936 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |c:4|
BDBM50148938 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccccc1C |c:4|
BDBM50149972 Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
BDBM50148940 CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4|
BDBM50148941 CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |r,c:4|
BDBM225272 CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
BDBM50109534 CN(C)c1ccc(cc1)\N=N\c1ccccn1
BDBM50109536 CN(CC#C)c1nc2nc(CCC3CCN(Cc4ccccc4)CC3)ccc2c(-c2ccccc2)c1C#N
BDBM225266 CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
BDBM50149965 Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
BDBM50149968 Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
BDBM50149967 Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
BDBM50149969 COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O |t:9|
BDBM50147603 CCOc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147605 O=c1cc(-c2ccccc2)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
BDBM50147606 Cc1cc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2oc1=O
BDBM50147607 Cc1c(C)c(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147608 Cc1c(Cl)c(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147609 O=c1oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
BDBM50147610 Cc1cc(=O)oc2cc(CNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50149966 Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
BDBM50149971 CC(C)c1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:10|
BDBM50149974 Clc1ccc2OCC(=O)N3N=C(CC3c2c1)c1ccccc1 |c:10|
BDBM50149975 Fc1ccccc1C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
BDBM50149976 CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(C)cc1 |c:12|
BDBM50149977 CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1 |c:12|
BDBM50149978 CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(Cl)cc1 |c:12|
BDBM50149979 CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(F)cc1 |c:12|
BDBM50153589 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
BDBM50153590 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
BDBM50153591 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1 |r|
BDBM50153586 O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r|
BDBM50148937 CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 |c:4|
BDBM256709 CC(=O)N1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM50153588 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
BDBM50149970 CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl |c:12|
BDBM50134180 FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1
BDBM50134181 Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
BDBM50134183 Fc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
BDBM50151585 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50153592 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
BDBM50153593 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM50147598 O=c1ccc2ccc(OCCCNC3CCN(Cc4ccccc4)CC3)cc2o1
BDBM50147599 O=c1ccc2ccc(OCCNCCC3CCN(Cc4ccccc4)CC3)cc2o1
BDBM50147600 Cc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50147602 COc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
BDBM50155581 Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM50156283 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=N |t:10|
BDBM50156284 COc1cc(ccc1O)C1=NNC(C1)c1ccccc1 |t:10|
BDBM256676 Cc1c(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
BDBM50156285 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)c1ccccc1 |t:10|
BDBM50156286 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:10|
BDBM50156287 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |t:10|
BDBM50156288 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:10|
BDBM256457 C1C(NC2CCNCC2)[C@H]1c1ccccc1 |r|
BDBM251796 C1CCN(C1)c1ccc2nc(oc2n1)-c1ccccc1
BDBM251797 C1CCN(C1)c1ccc2nc(sc2n1)-c1ccccc1
BDBM251798 Clc1ccccc1-c1nc2ccc(nc2o1)N1CCCC1
BDBM251799 Clc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCC1
BDBM251800 Fc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCC1
BDBM50171085 CN(C)c1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
BDBM50171086 O=C1\C(COc2ccccc12)=C\c1c[nH]c2ccccc12
BDBM50171088 O=C1\C(COc2ccccc12)=C\c1c[nH]cn1
BDBM50171089 Clc1cc(Cl)c2C(=O)\C(COc2c1)=C\c1c[nH]cn1
BDBM50171090 COc1ccc2C(=O)\C(COc2c1)=C\c1c[nH]cn1
BDBM50171135 CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cn1
BDBM50171136 Nc1ccc(\C=C2/COc3ccccc3C2=O)cn1
BDBM50171137 O=C1\C(COc2ccccc12)=C\c1cccnc1
BDBM50171139 O=C1\C(COc2ccccc12)=C\c1ccccn1
BDBM256458 C1[C@H](NC2CCNCC2)[C@H]1c1ccccc1 |r|
BDBM256459 C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
BDBM256460 C(Oc1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1)c1ccccc1 |r|
BDBM256461 C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256462 FC(F)(F)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
BDBM256463 C(CC1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM251801 C1CCN(CC1)c1ccc2nc(oc2n1)-c1ccccc1
BDBM251802 C1CCN(CC1)c1ccc2nc(sc2n1)-c1ccccc1
BDBM251803 Clc1ccccc1-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251804 Fc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251805 Clc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251806 Fc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251807 Brc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251808 COc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
BDBM251809 C(Nc1ccc2nc(sc2n1)-c1ccccc1)c1ccccc1
BDBM50171140 COc1ccc2C(=O)\C(COc2c1)=C\c1cnc(nc1)N(C)C
BDBM50171141 CN(C)c1ncc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
BDBM256464 Clc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCCC1CCOCC1 |r|
BDBM256465 C1[C@H](NC2CCCNC2)[C@H]1c1ccccc1 |r|
BDBM256466 C1[C@H](NC2CCNC2)[C@H]1c1ccccc1 |r|
BDBM256467 C1[C@H](NC2CNC2)[C@H]1c1ccccc1 |r|
BDBM256468 C1[C@H](NC2CC3CCC(C2)N3)[C@H]1c1ccccc1 |r,TLB:2:3:6.7:10|
BDBM256469 C1[C@H](NC2CCC3(CCNCC3)CC2)[C@H]1c1ccccc1 |r|
BDBM256470 C1[C@H](NC2CC3(C2)CCNCC3)[C@H]1c1ccccc1 |r|
BDBM256471 C1[C@H](NC2CCNC3CCCCC23)[C@H]1c1ccccc1 |r|
BDBM256472 C1[C@H](NC2CCNCC2)[C@H]1c1cccnc1 |r|
BDBM256473 C1[C@H](NC2CCNCC2)[C@H]1c1cncs1 |r|
BDBM251810 CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1ccccc1
BDBM251811 CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1cccc(Cl)c1
BDBM251812 CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1ccc(Cl)cc1
BDBM251813 CNc1ccc2nc(sc2n1)-c1ccccc1
BDBM251814 CNc1ccc2nc(oc2n1)-c1cccc(F)c1
BDBM251815 CNc1ccc2nc(oc2n1)-c1cccc(Cl)c1
BDBM251816 CNc1ccc2nc(oc2n1)-c1ccc(Cl)cc1
BDBM251817 C1CCC(CC1)Nc1ccc2nc(oc2n1)-c1ccccc1
BDBM256474 Cc1ccccc1C1CC1NC1CCNCC1
BDBM256475 Fc1ccccc1C1CC1NC1CCNCC1
BDBM256476 Fc1ccc(cc1F)C1CC1NC1CCNCC1
BDBM256477 COc1ccc(cc1)C1CC1NC1CCNCC1
BDBM256478 Oc1ccc(cc1)C1CC1NC1CCNCC1
BDBM256479 C1C(NC2CCNCC2)C1c1ccc2ccccc2c1
BDBM256480 CC1(CC1NC1CCNCC1)c1ccccc1
BDBM256481 C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNC1 |r|
BDBM256482 Fc1ccccc1COc1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
BDBM256483 FC(F)(F)c1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
BDBM256484 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
BDBM256485 CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
BDBM256486 C(N[C@H]1C[C@@H]1c1ccccc1)C1CNC1 |r|
BDBM256487 CS(=O)(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256488 CC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
BDBM256489 NC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
BDBM256490 Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
BDBM256491 CC1(C)CC(CC(C)(C)N1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256492 CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256493 CC(C)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256494 FC(F)(F)CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM256495 C1[C@H](NC2CCN(CC2)c2ccncc2)[C@H]1c1ccccc1 |r|
BDBM256496 Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCS(=O)(=O)CC1 |r|
BDBM256497 C(N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1)C1CCNCC1 |r|
BDBM256498 C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1)C1CCNCC1 |r|
BDBM256499 C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1)C1CCNCC1 |r|
BDBM256668 FC1(F)CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
BDBM256666 NC1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wD:8.8,10.12,(10.15,-.4,;8.66,-.8,;8.26,-2.29,;6.78,-2.69,;5.69,-1.6,;6.08,-.11,;7.57,.29,;4.2,-1.99,;3.11,-.91,;2.02,-1.99,;1.62,-.51,;.53,.58,;-.93,.11,;-1.84,1.35,;-.93,2.6,;.53,2.12,;-3.38,1.35,;-4.15,2.69,;-4.15,.02,;-5.69,.02,;-6.78,1.11,;-8.26,.71,;-8.66,-.78,;-10.15,-1.18,;-9.75,.31,;-7.57,-1.87,;-6.08,-1.47,)|
BDBM65039 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
BDBM256661 Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
BDBM50171143 Nc1ncc(\C=C2/COc3ccccc3C2=O)cn1
BDBM50156290 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:10|
BDBM50156291 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(C)=O |t:10|
BDBM50156292 COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=S |t:10|
BDBM256669 Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM256725 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CCC1 |r|
BDBM50158866 Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
BDBM50158868 Cc1ncc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM50158870 C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1 |r|
BDBM50158872 CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
BDBM50158874 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@]1(N)CCc1ccccc1 |r|
BDBM50158875 CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM50161737 CN(C)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
BDBM50161749 CCN(C)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
BDBM50161752 CCN(CC)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
BDBM50161754 Oc1cc2O\C(=C/c3ccc(cc3)N3CCCC3)C(=O)c2c(O)c1
BDBM50161756 Oc1cc2O\C(=C/c3ccc(cc3)N3CCOCC3)C(=O)c2c(O)c1
BDBM256681 Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
BDBM256723 OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r|
BDBM256724 Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r|
BDBM256726 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256727 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM256728 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2N)s1 |r|
BDBM256729 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1 |r|
BDBM256660 O=C(NC1CCCC1)c1csc(c1)[C@@H]1C[C@@H]1NC1CCOCC1 |r|
BDBM50153587 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |r|
BDBM256701 Cc1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)no1 |r|
BDBM50161755 Oc1cc2O\C(=C/c3ccc(cc3)N3CCCCC3)C(=O)c2c(O)c1
BDBM50155579 N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50155763 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r|
BDBM50155764 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 |r|
BDBM50155765 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
BDBM50155770 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1 |r|
BDBM50155773 [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
BDBM256663 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCC1 |r|
BDBM50156289 CCOC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)c(OC)c1 |c:6|
BDBM256670 Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM254546 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
BDBM254547 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1 |r,wU:10.12,wD:8.8,(5.92,2,;4.58,1.23,;4.58,-.31,;3.25,-1.08,;1.91,-.31,;1.91,1.23,;3.25,2,;.58,-1.08,;-.75,-.31,;-1.52,1.03,;-2.29,-.31,;-3.63,-1.08,;-5.09,-.6,;-6,-1.85,;-5.09,-3.09,;-3.63,-2.62,)|
BDBM254548 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cccnc1 |r,wU:10.12,wD:8.8,(6.06,2.15,;4.73,1.38,;4.73,-.16,;3.4,-.93,;2.06,-.16,;2.06,1.38,;3.4,2.15,;.73,-.93,;-.6,-.16,;-1.37,1.17,;-2.14,-.16,;-3.48,-.93,;-4.81,-.16,;-6.14,-.93,;-6.14,-2.47,;-4.81,-3.24,;-3.48,-2.47,)|
BDBM254549 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
BDBM254550 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-1.37,.22,;-2.71,-.55,;-4.04,.22,;-4.04,1.76,;-2.71,2.53,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
BDBM254551 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.42,;8.11,2.65,;8.11,1.11,;6.77,.34,;5.44,1.11,;5.44,2.65,;6.77,3.42,;4.1,.34,;2.77,1.11,;2,2.44,;1.23,1.11,;-.1,.34,;-.1,-1.2,;-1.44,-1.97,;-2.77,-1.2,;-4.1,-1.97,;-5.44,-1.2,;-6.77,-1.97,;-8.11,-1.2,;-9.44,-1.97,;-9.44,-3.51,;-8.11,-4.28,;-6.77,-3.51,;-2.77,.34,;-1.44,1.11,)|
BDBM254552 OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254553 NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
BDBM254554 CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
BDBM254555 CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
BDBM254556 N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
BDBM254557 CC1(N)CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.21,1.64,;4.67,1.64,;5.44,2.98,;4.67,.1,;3.33,-.67,;2,.1,;2,1.64,;3.33,2.41,;.67,-.67,;-.67,.1,;-1.44,1.44,;-2.21,.1,;-3.54,-.67,;-3.54,-2.21,;-4.87,-2.98,;-6.21,-2.21,;-6.21,-.67,;-4.87,.1,)|
BDBM254558 NCC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.93,;5.44,2.7,;4.1,1.93,;4.1,.39,;2.77,-.38,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
BDBM254559 NC1CCCC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM254560 NC1CC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:8.10,wD:6.6,(5.71,2.47,;4.38,1.7,;3.98,.21,;2.49,.61,;2.89,2.1,;1.16,-.16,;-.17,.61,;-.94,1.94,;-1.71,.61,;-3.05,-.16,;-3.05,-1.7,;-4.38,-2.47,;-5.71,-1.7,;-5.71,-.16,;-4.38,.61,)|
BDBM254561 NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12 |r|
BDBM254562 NC1CCC(CC1)N[C@@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,8.8,(6.1,2.69,;4.77,1.93,;4.77,.39,;3.44,-.39,;2.1,.39,;2.1,1.93,;3.44,2.7,;.77,-.38,;-.56,.39,;-1.33,1.72,;-2.1,.39,;-3.44,-.39,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-6.1,-.39,;-4.77,.38,)|
BDBM254563 CNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.92,;5.44,2.69,;4.1,1.93,;4.1,.39,;2.77,-.39,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
BDBM254564 CC(C)(C)OC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:17.19,wD:15.15,(8.77,2.69,;7.44,1.92,;7.44,.38,;8.77,1.15,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
BDBM254565 CCNC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.17,wD:13.13,(8.77,2.69,;7.44,1.92,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
BDBM254566 C1[C@H](NC2CCC(CC2)N2CCOCC2)[C@H]1c1ccccc1 |r,wU:15.18,wD:1.1,(-2.67,.56,;-1.9,-.77,;-.56,-1.54,;.77,-.77,;2.1,-1.54,;3.44,-.77,;3.44,.77,;2.1,1.54,;.77,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;6.1,3.85,;4.77,3.08,;-3.44,-.77,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,)|
BDBM254567 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r,wU:10.12,wD:8.8,(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
BDBM256673 FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM254601 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
BDBM254603 NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
BDBM254568 Cc1ccccc1C1CC1NC1CCC(N)CC1 |(-2.1,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-6.1,-.38,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,)|
BDBM254569 NC1CCC(CC1)NC1CC1c1ccc(cc1)C(F)(F)F |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-2.77,-1.93,;-4.1,-2.69,;-5.44,-1.93,;-5.44,-.38,;-4.1,.38,;-6.77,-2.69,;-8.11,-1.92,;-7.86,-3.78,;-6.37,-4.18,)|
BDBM254570 COc1ccc(cc1)C1CC1NC1CCC(N)CC1 |(-7.44,-1.93,;-6.1,-2.69,;-4.77,-1.93,;-4.77,-.38,;-3.44,.38,;-2.1,-.38,;-2.1,-1.93,;-3.44,-2.69,;-.77,.38,;,1.72,;.77,.38,;2.1,-.38,;3.44,.38,;4.77,-.39,;6.1,.38,;6.1,1.92,;7.44,2.69,;4.77,2.69,;3.44,1.92,)|
BDBM254571 NC1CCC(CC1)NC1CC1c1ccc(O)cc1 |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
BDBM254572 NC1CCC(CC1)NC1CC1c1ccccc1F |(6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,-.39,;2.1,.38,;2.1,1.92,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,;-2.1,-2.69,)|
BDBM254573 NC1CCC(CC1)NC1CC1c1ccc(F)c(F)c1 |(6.77,3.46,;5.44,2.69,;5.44,1.15,;4.1,.38,;2.77,1.15,;2.77,2.69,;4.1,3.46,;1.44,.38,;.1,1.15,;-.67,2.49,;-1.44,1.15,;-2.77,.38,;-4.1,1.15,;-5.44,.38,;-5.44,-1.16,;-6.77,-1.93,;-4.1,-1.93,;-4.1,-3.46,;-2.77,-1.16,)|
BDBM254574 NC1CCC(CC1)NC1CC1c1ccc2ccccc2c1 |(6.77,3.85,;5.44,3.08,;5.44,1.54,;4.1,.77,;2.77,1.54,;2.77,3.08,;4.1,3.85,;1.44,.77,;.1,1.54,;-.67,2.87,;-1.44,1.54,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-5.44,-.77,;-6.77,-1.54,;-6.77,-3.08,;-5.44,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-2.77,-.77,)|
BDBM254575 CC1(CC1NC1CCC(N)CC1)c1ccccc1 |(-3.44,1.15,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254576 N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:15.18,wD:13.14,1.0,(10.17,5.25,;9.4,3.92,;9.87,2.45,;8.63,1.55,;7.38,2.45,;7.86,3.92,;6.05,1.68,;6.05,.14,;4.71,-.63,;3.38,.14,;3.38,1.68,;4.71,2.45,;2.04,-.63,;.71,.14,;-.06,1.47,;-.83,.14,;-2.16,-.63,;-2.16,-2.17,;-3.5,-2.94,;-4.83,-2.17,;-4.83,-.63,;-3.5,.14,;-6.16,-2.94,;-6.16,-4.48,;-7.5,-5.25,;-8.83,-4.48,;-8.83,-2.94,;-7.5,-2.17,;-10.17,-2.17,;-11.71,-2.17,;-10.17,-.63,;-9.08,-1.08,)|
BDBM254577 N[C@H]1CC[C@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,4.7,1.0,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254578 N[C@H]1CC[C@@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,1.0,wD:8.8,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254579 N[C@H]1CC[C@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,4.7,1.0,wD:10.12,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254580 N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,1.0,wD:10.12,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM256700 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
BDBM254581 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
BDBM254582 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r,wU:10.12,wD:8.8,(8.11,3.85,;6.77,3.08,;6.77,1.54,;5.44,.77,;4.1,1.54,;4.1,3.08,;5.44,3.85,;2.77,.77,;1.44,1.54,;.67,2.87,;-.1,1.54,;-1.44,.77,;-1.44,-.77,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-2.77,1.54,;-5.44,-1.54,;-6.77,-.77,;-8.11,-1.54,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,)|
BDBM254583 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
BDBM254584 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1 |r,wU:10.12,wD:8.8,(7.96,3.7,;6.62,2.93,;6.62,1.39,;5.29,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;2.62,.62,;1.29,1.39,;.52,2.73,;-.25,1.39,;-1.59,.62,;-1.59,-.92,;-2.92,-1.69,;-4.25,-.92,;-4.25,.62,;-2.92,1.39,;-5.59,-1.69,;-7.05,-1.21,;-7.96,-2.46,;-7.05,-3.7,;-5.59,-3.23,)|
BDBM254585 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
BDBM254586 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
BDBM254587 COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)C#N |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;-2.31,2.84,;-2.31,1.3,;-.97,.53,;.36,1.3,;.36,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;2.46,-5.42,;2.46,-6.96,;1.13,-7.73,;1.13,-9.27,;-.2,-6.96,;-.2,-5.42,;-3.64,8.23,;-4.98,9,)|
BDBM254588 Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:14.15,wD:16.19,(-8.77,-3.08,;-7.44,-2.31,;-7.44,-.77,;-6.1,,;-4.77,-.77,;-4.77,-2.31,;-6.1,-3.08,;-6.1,-4.62,;-3.44,,;-3.44,1.54,;-2.1,2.31,;-.77,1.54,;-.77,,;-2.1,-.77,;.56,2.31,;1.33,3.64,;2.1,2.31,;3.44,1.54,;4.77,2.31,;6.1,1.54,;7.44,2.31,;7.44,3.85,;8.77,4.62,;6.1,4.62,;4.77,3.85,)|
BDBM254589 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
BDBM254590 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(10.95,4.7,;9.61,3.93,;9.61,2.39,;8.28,1.62,;6.94,2.39,;6.94,3.93,;8.28,4.7,;5.61,1.62,;4.28,2.39,;3.51,3.73,;2.74,2.39,;1.4,1.62,;.16,2.53,;-1.09,1.62,;-.61,.16,;.93,.16,;-1.7,-.93,;-1.3,-2.42,;-2.39,-3.51,;-3.88,-3.11,;-4.28,-1.62,;-5.61,-.85,;-6.94,-1.62,;-7.71,-.29,;-6.17,-2.96,;-8.28,-2.39,;-8.28,-3.93,;-9.61,-4.7,;-10.95,-3.93,;-10.95,-2.39,;-9.61,-1.57,;-9.61,-.03,;-9.61,1.51,;-3.19,-.53,)|
BDBM254591 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(11.52,3.85,;10.18,3.08,;10.18,1.54,;8.85,.77,;7.52,1.54,;7.52,3.08,;8.85,3.85,;6.18,.77,;4.85,1.54,;4.08,2.87,;3.31,1.54,;1.98,.77,;.64,1.54,;-.69,.77,;-.69,-.77,;.64,-1.54,;1.98,-.77,;-2.03,-1.54,;-2.03,-3.08,;-3.36,-3.85,;-4.69,-3.08,;-4.69,-1.54,;-6.18,-.64,;-7.52,.13,;-6.75,1.47,;-8.29,1.47,;-8.85,-.64,;-8.85,-2.18,;-10.18,-2.95,;-11.52,-2.18,;-11.52,-.64,;-10.18,.13,;-10.18,1.67,;-10.18,3.21,;-3.36,-.77,)|
BDBM254592 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,wD:8.8,(12.2,3.85,;10.87,3.08,;10.87,1.54,;9.54,.77,;8.2,1.54,;8.2,3.08,;9.54,3.85,;6.87,.77,;5.53,1.54,;4.76,2.87,;3.99,1.54,;2.66,.77,;1.33,1.54,;-.01,.77,;-.01,-.77,;1.33,-1.54,;2.66,-.77,;-1.34,-1.54,;-1.34,-3.08,;-2.67,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.34,-.77,;-6.87,-1.64,;-6.1,-2.97,;-7.64,-2.97,;-8.2,-.87,;-8.2,.67,;-9.54,1.44,;-10.87,.67,;-12.2,1.44,;-10.87,-.87,;-9.54,-1.64,;-2.67,-.77,)|
BDBM254593 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;.56,1.54,;-.77,.77,;-.77,-.77,;.56,-1.54,;1.9,-.77,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-6.67,-2.87,;-8.21,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
BDBM254594 NC1CCC(CC1)N[C@H]1C[C@]1(F)c1ccccc1 |r,wD:8.8,10.12,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254595 NC1CCC(CC1)N[C@H]1C[C@@]1(F)c1ccccc1 |r,wU:10.12,wD:8.8,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254596 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
BDBM254597 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccnc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-2.77,.77,;-1.44,1.54,)|
BDBM254598 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)|
BDBM254599 Cc1cccc(CNc2ccc(cn2)[C@H]2C[C@@H]2NC2CCC(N)CC2)c1 |r,wU:14.14,wD:16.18,(-10.11,-.77,;-8.77,-1.54,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-6.1,-1.54,;-4.77,-.77,;-3.44,-1.54,;-2.1,-.77,;-2.1,.77,;-.77,1.54,;.56,.77,;.56,-.77,;-.77,-1.54,;1.9,1.54,;2.67,2.87,;3.44,1.54,;4.77,.77,;6.1,1.54,;7.44,.77,;8.77,1.54,;8.77,3.08,;10.11,3.85,;7.44,3.85,;6.1,3.08,;-7.44,-.77,)|
BDBM254600 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(c2)C#N)nc1 |r,wU:10.12,wD:8.8,(8.77,2.31,;7.44,1.54,;7.44,,;6.1,-.77,;4.77,,;4.77,1.54,;6.1,2.31,;3.44,-.77,;2.1,,;1.33,1.33,;.56,,;-.77,-.77,;-2.1,,;-3.44,-.77,;-3.44,-2.31,;-4.77,-3.08,;-6.1,-2.31,;-7.44,-3.08,;-8.77,-2.31,;-8.77,-.77,;-7.44,.06,;-6.1,-.77,;-7.44,1.6,;-7.44,3.14,;-2.1,-3.08,;-.77,-2.31,)|
BDBM50158871 C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1 |r|
BDBM50155766 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1 |r|
BDBM50155767 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1 |r|
BDBM50155768 Cl.CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
BDBM50155769 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r|
BDBM256671 Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM256675 Cc1nn(C)cc1NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM50171087 O=C1\C(COc2ccccc12)=C\c1ccc[nH]1
BDBM50171131 O=C1\C(COc2ccccc12)=C\c1ccco1
BDBM50171132 O=C1\C(COc2ccccc12)=C\c1cccs1
BDBM50171138 O=C1\C(COc2ccccc12)=C\c1ccncc1
BDBM50155319 CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
BDBM50155320 COc1cccc(\C=C\C(=O)c2cccc(c2)C(F)(F)F)c1OC
BDBM50155321 COc1cccc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c1OC
BDBM50155322 FC(F)(F)c1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
BDBM256664 O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@@H]1NC1CCC1 |r|
BDBM256665 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r|
BDBM256704 CCn1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
BDBM256710 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
BDBM65037 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
BDBM256623 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c(C)s2)s1
BDBM256649 FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NCC1CC1
BDBM256650 FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NC1CCOCC1
BDBM256651 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
BDBM256652 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1
BDBM256653 O=C(NC1CCOCC1)c1csc(c1)C1CC1NCC1CC1
BDBM256654 Cc1nnc(NC(=O)c2csc(c2)C2CC2NC2CCC2)s1
BDBM256655 Cn1cc(NC(=O)c2csc(c2)C2CC2NC2CCC2)cn1
BDBM256656 FC1(F)CCC(CC1)NC(=O)c1nc(cs1)C1CC1NCC1CC1
BDBM50155771 Cl.Cl.CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
BDBM50155772 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r|
BDBM50155580 Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
BDBM256657 FC1(F)CCC(CC1)NC(=O)c1ccc(s1)C1CC1NCC1CC1
BDBM256658 Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
BDBM50155312 FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
BDBM50155318 CSc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
BDBM256716 OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
BDBM256674 Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)s1 |r|
BDBM256672 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM256677 O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM256678 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)s1
BDBM256679 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1
BDBM256680 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1
BDBM256682 Cn1ccc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)c1
BDBM256683 Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1
BDBM256684 O=C(NC1CCOCC1)c1cc(cs1)C1CC1NC1CCC1
BDBM256685 O=C(NC1CCOCC1)c1cc(cs1)C1CC1NCC1CC1
BDBM256686 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1
BDBM256687 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1
BDBM256688 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1
BDBM256689 Cc1sc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
BDBM50171133 O=C1\C(COc2ccccc12)=C\c1ccsc1
BDBM256690 Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1
BDBM256691 Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CCOCC2)s1
BDBM256692 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
BDBM256693 O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NC1CCC1 |r|
BDBM256694 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
BDBM256695 O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NCC1CC1 |r|
BDBM256696 O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NC1CCC1 |r|
BDBM256697 O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NCC1CC1 |r|
BDBM256698 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM256699 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM256702 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
BDBM256705 Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)cn1 |r|
BDBM256706 Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)cn1 |r|
BDBM256707 Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r|
BDBM256708 Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)cn1 |r|
BDBM256711 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM256712 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM256713 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CC3)c(C)s2)s1 |r|
BDBM256659 O=C(NC1CCCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r|
BDBM256714 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CCOCC3)c(C)s2)s1 |r|
BDBM256715 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)c(C)s2)s1 |r|
BDBM256717 Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256718 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256719 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
BDBM256720 Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
BDBM256721 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM256722 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM256622 Cc1nnc(NC(=O)c2cc(C3CC3N)c(C)s2)s1
BDBM256624 Cn1nc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM256625 Cn1nc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
BDBM256626 Cc1nnc(NC(=O)c2cc(C3CC3N)c3ccccc3c2)s1
BDBM256627 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c3ccccc3c2)s1
BDBM256628 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
BDBM256629 Cc1sc(cc1C1CC1NCC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
BDBM256630 Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2N)s1
BDBM256631 Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
BDBM256632 FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CC1
BDBM256633 FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CCOCC1
BDBM254602 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(5.54,-10.9,;5.54,-9.36,;6.87,-8.59,;6.87,-7.05,;5.54,-6.28,;4.21,-7.05,;4.21,-8.59,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
BDBM256635 Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM256636 Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
BDBM256634 Cc1ncc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
BDBM256637 Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2NCC2CCOCC2)s1
BDBM256638 Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
BDBM256639 Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM256640 Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
BDBM256641 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
BDBM256642 Cc1sc(cc1C1CC1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
BDBM256643 Cc1sc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
BDBM256644 Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
BDBM256645 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CCOCC1
BDBM256646 Cc1sc(cc1C1CC1N)C(=O)Nc1cnn(C)c1
BDBM256648 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)s1
BDBM50161757 CN1CCN(CC1)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
BDBM50161759 COc1cc2O\C(=C/c3ccc(cc3)N(C)C)C(=O)c2c(O)c1
BDBM50161760 COc1cc2O\C(=C/c3ccc(cc3)N3CCCCC3)C(=O)c2c(O)c1
BDBM50161761 COc1cc2O\C(=C/c3ccc(cc3)N3CCOCC3)C(=O)c2c(O)c1
BDBM50199105 Clc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
BDBM50209765 CN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
BDBM50209766 Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCOCC1
BDBM50209767 CN(C)c1ccc(\C=C\C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1
BDBM50209768 CCN(CC)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
BDBM50209769 CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50197878 Oc1cccc2ccc(CN(CCCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
BDBM50194481 CN(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
BDBM50195811 COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O
BDBM50209775 CCN(CC)c1ccc(\C=C\C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1
BDBM50209776 Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCCC1
BDBM50209777 CCN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
BDBM50209778 Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCCCC1
BDBM50194581 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)N(C)C
BDBM50194600 Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(c1)C#N
BDBM50195816 CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1
BDBM50195836 Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
BDBM50194602 Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(O)c1
BDBM50195819 COc1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O
BDBM50195820 Oc1cccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
BDBM50195821 COc1cccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c1
BDBM50197877 Oc1cccc2ccc(CN(CCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
BDBM50199103 FC(F)(F)c1ccc(COc2ccc3C(=O)OCc3c2)cc1
BDBM50199104 Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
BDBM173297 CCOC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2nc1C
BDBM173300 CCOC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2nc1C
BDBM173303 CCOC(=O)c1cc2ccc(OCc3ccc(F)c(Cl)c3)cc2nc1C
BDBM173305 CCOC(=O)c1cnc2cc(OCCc3cccc(F)c3)ccc2c1
BDBM173306 CCOC(=O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
BDBM173307 COC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173312 CC(C)(O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM50206880 COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50207457 CCN(Cc1ccccc1)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
BDBM50207458 CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
BDBM50195810 COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c(OC)c1
BDBM173313 CC(C)(O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
BDBM173314 CC(C)(O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
BDBM173315 Cc1nc2cc(OCc3ccc(F)cc3)ccc2cc1C(C)(C)O
BDBM173318 Cc1nc2cc(OCc3cccc(Cl)c3)ccc2cc1C(C)(C)O
BDBM173319 Cc1nc2cc(OCc3ccc(F)c(Cl)c3)ccc2cc1C(C)(C)O
BDBM173320 Cc1nc2cc(OCc3cccc(F)c3)ccc2cc1C(C)(C)O
BDBM173321 OCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173324 OCc1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
BDBM173325 OCc1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
BDBM50206873 COCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
BDBM50206875 O=S(=O)(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
BDBM173328 CC(C)(O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
BDBM173329 COCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173330 CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173331 CC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173332 CC(O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173333 C[C@@H](O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1 |r|
BDBM173335 C[C@H](O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1 |r|
BDBM173339 CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM50207461 COc1cc2OC\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
BDBM173340 NCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173341 CNCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173356 CN(C)CCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173357 NCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173358 CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173359 CCOC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1
BDBM173360 CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173373 COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM50197876 Oc1cccc2ccc(CN(CC#C)C(C#N)C3CCN(Cc4ccccc4)CC3)nc12
BDBM50199091 Clc1ccc(COc2ccc3C(=O)OCc3c2)cc1
BDBM50199092 CC(=O)c1ccc(OCc2ccc(F)cc2)cc1F
BDBM50199093 CC(=O)c1cccc(OCc2ccc(Br)cc2)c1
BDBM50199094 CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O
BDBM50194479 Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(F)c1
BDBM50194550 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Br)cc1
BDBM173377 NC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173392 OCCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173393 NC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1
BDBM173412 NC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173413 CCOC(=O)C(C)(C)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173416 CC(C)(CO)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173419 CC(C)(C(N)=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173420 NC(=O)Cc1cnc2cc(OCc3ccnc(c3)C(F)(F)F)ccc2c1
BDBM173421 CC(C)(O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173434 NC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173440 CC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
BDBM173446 CC(C)(O)c1c[n+]([O-])c2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173453 NC(=O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1
BDBM173456 NC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
BDBM173457 NC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
BDBM173458 NC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
BDBM173459 NC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
BDBM50207456 COc1cc2OC\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
BDBM50197879 Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12
BDBM50197880 Oc1cccc2ccc(CN(CC#C)CC3CCN(Cc4ccccc4)CC3)nc12
BDBM50194611 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)c(Cl)c1
BDBM173460 CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
BDBM173461 OCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
BDBM173462 Fc1ccc(COc2cnc3cc(CC#N)cnc3c2)cc1F
BDBM173876 CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
BDBM173877 CC(C)(O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1
BDBM173879 CC(C)(O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
BDBM173880 CC(C)(O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
BDBM173881 CC(C)(O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
BDBM173882 NC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
BDBM50194482 Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Cl)c1
BDBM50194483 Cc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
BDBM50194485 O=C1\C(Cc2ccccc12)=C\c1ccccc1
BDBM50194486 COc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
BDBM50194551 Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Br)c1
BDBM50206876 O=C(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
BDBM50206877 O=C(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
BDBM173883 NC(=O)Cc1cnc2cc(OCc3cccc(n3)C(F)(F)F)cnc2c1
BDBM173884 NC(=O)CC1Cc2ccc(OCc3cccc(Cl)c3)cc2NC1=O
BDBM173885 NC(=O)Cc1cc2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
BDBM50194552 Oc1ccc2C\C(=C/c3ccccc3)C(=O)c2c1
BDBM50194610 COc1ccc2C(=O)\C(Cc2c1)=C\c1ccccc1
BDBM50195814 Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1O
BDBM50199102 Clc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
BDBM50199108 CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1F
BDBM50195855 COc1cccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
BDBM50195870 COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1
BDBM173261 CCOC(=O)c1cnc2cc(OCc3ccc(Cl)cc3)ccc2c1
BDBM173265 CCOC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM173273 CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
BDBM173274 CCOC(=O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1
BDBM173275 CCOC(=O)c1cnc2cc(OCc3cccc(c3)C(F)(F)F)ccc2c1
BDBM173276 CCOC(=O)c1cnc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1
BDBM173277 CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1
BDBM173278 CCOC(=O)c1cnc2cc(OCc3ccc(C)cc3)ccc2c1
BDBM173279 CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
BDBM173280 CCOC(=O)c1cnc2cc(OCc3ccc(OC)cc3)ccc2c1
BDBM173282 CCOC(=O)c1cnc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1
BDBM173284 CCOC(=O)c1cnc2cc(OCc3ccc(F)c(c3)C(F)(F)F)ccc2c1
BDBM50207440 CCN(CC)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
BDBM50207441 COc1cc2OC\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
BDBM50207442 COc1cc2OC\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
BDBM50207443 COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
BDBM173285 CCOC(=O)c1cnc2cc(OCc3cc(F)cc(c3)C(F)(F)F)ccc2c1
BDBM173286 CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1
BDBM173287 CCOC(=O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
BDBM173289 CCOC(=O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
BDBM173290 CCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1
BDBM173291 CCOC(=O)c1cnc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc2c1
BDBM173293 CCOC(=O)c1cnc2cc(OCc3cc(F)cc(Cl)c3)ccc2c1
BDBM173294 CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2nc1C
BDBM50206869 COCCN(CC1CCCN(CC#C)C1)C(=O)c1ccc2ccccc2c1
BDBM50206870 COCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50206871 COCCCN(CC1CCCN(CC#C)C1)C(=O)c1ccc2ccccc2c1
BDBM50206872 O=S(=O)(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
BDBM50206874 COCCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
BDBM50206878 COCCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50206879 COCCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50207444 COc1cc2OC\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
BDBM50207450 CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
BDBM50207452 COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
BDBM50207453 COc1cc2OC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)C(=O)c2cc1OC
BDBM50207455 COc1cc2OC\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
BDBM50199109 CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
BDBM183448 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,(11.7,3.85,;10.36,3.08,;10.36,1.54,;9.03,.77,;7.69,1.54,;7.69,3.08,;9.03,3.85,;6.36,.77,;5.03,1.54,;4.26,2.87,;3.49,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.51,-.77,;-.51,.77,;.82,1.54,;-1.85,-1.54,;-1.85,-3.08,;-3.18,-3.85,;-4.52,-3.08,;-4.52,-1.54,;-6.36,-.64,;-7.69,.13,;-6.92,1.47,;-8.46,1.47,;-9.03,-.64,;-9.03,-2.18,;-10.36,-2.95,;-11.7,-2.18,;-11.7,-.64,;-10.36,.13,;-10.36,1.67,;-10.36,3.21,;-3.18,-.77,)|
BDBM183458 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-.77,.77,;.56,1.54,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-8.21,-2.87,;-6.67,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
BDBM183452 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
BDBM179443 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179444 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r|
BDBM179445 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(O)cc1 |r|
BDBM179446 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
BDBM179451 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179452 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(Cl)cc(Cl)c1 |r|
BDBM179454 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)cc1 |r|
BDBM179455 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(Cl)c1 |r|
BDBM179461 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F |r|
BDBM179466 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(CO)cc1 |r|
BDBM50194480 Cc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
BDBM50194604 Oc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
BDBM50194608 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)C#N
BDBM50194612 CN(C)c1ccc(\C=C2/Cc3ccccc3C2=O)cc1
BDBM179470 COc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179471 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C#N |r|
BDBM179641 N[C@H]1CC1c1ccc(nc1)-c1cccc(c1)C#N |r|
BDBM179642 Cc1ccc(cc1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179643 Cc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179645 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(O)cc1 |r|
BDBM179647 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(N)=O |r|
BDBM179648 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(N)=O |r|
BDBM179649 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccccc1O |r|
BDBM50197875 Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12
BDBM179651 COc1cc(ccc1C)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179652 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(F)c(O)c1 |r|
BDBM179653 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(F)c1 |r|
BDBM179654 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1F |r|
BDBM179655 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1F |r|
BDBM179670 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(Cl)c1 |r|
BDBM179671 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1F)C(F)(F)F |r|
BDBM50194605 CC(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
BDBM50194606 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccccc1
BDBM50194607 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(F)cc1
BDBM50194609 Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)cc1
BDBM179672 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)s1 |r|
BDBM179685 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2sccc2c1 |r|
BDBM179687 Cc1cc(cnc1-c1cccc(Cl)c1)[C@H]1C[C@@H]1N |r|
BDBM179688 Cc1cc(cnc1-c1cccc(c1)C(F)(F)F)[C@H]1C[C@@H]1N |r|
BDBM179689 COc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179690 COc1cc(F)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM50199099 CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O
BDBM50199101 CC(=O)c1ccc(OCc2cccc(F)c2)cc1O
BDBM50199110 CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1
BDBM173309 CC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
BDBM179691 COc1ccc(F)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179695 COc1cccc(c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179707 COc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179717 COc1ccc(Cl)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179720 COc1cc(cc(c1)C(F)(F)F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179723 COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179724 Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179728 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1Cl |r|
BDBM179729 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r|
BDBM179734 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F |r|
BDBM179735 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F |r|
BDBM179737 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM179739 CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179740 CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179742 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1 |r|
BDBM179744 N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12 |r|
BDBM179745 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r|
BDBM179749 Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179768 COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179823 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r|
BDBM179824 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1 |r|
BDBM179825 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21 |r|
BDBM179826 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1 |r|
BDBM179828 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
BDBM179829 CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179830 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r|
BDBM179832 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r|
BDBM179833 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
BDBM179835 CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179836 CS(=O)(=O)Nc1ccccc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179837 COc1ccc(cc1-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179838 CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179839 COc1ccc(cc1-c1ccc(cc1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179840 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179841 N[C@H]1C[C@@H]1c1ccc(nc1Cl)-c1cccc(c1)C(F)(F)F |r|
BDBM179843 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(Cl)cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM182862 NC1CCC(CC1)NC1CC1c1ccccc1 |(6.09,2.69,;4.76,1.92,;4.76,.38,;3.43,-.39,;2.09,.38,;2.09,1.92,;3.43,2.7,;.76,-.39,;-.58,.38,;-1.35,1.72,;-2.12,.38,;-3.45,-.39,;-4.78,.38,;-6.12,-.39,;-6.12,-1.93,;-4.78,-2.7,;-3.45,-1.93,)|
BDBM179844 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(O)cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179845 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(cc1)C(N)=O)-c1cccc(c1)C(F)(F)F |r|
BDBM179846 Cc1nc(ccc1[C@H]1C[C@@H]1N)-c1cccc(c1)C(F)(F)F |r|
BDBM179853 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N |r|
BDBM179854 CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179855 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r|
BDBM179856 CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179859 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179860 CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179861 CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179862 CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179863 CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179864 CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179865 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
BDBM179905 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 |r|
BDBM179906 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
BDBM179933 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(NS(=O)(=O)c2ccc(cc2)C#N)cc(c1)C(F)(F)F |r|
BDBM179935 CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179944 COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1 |r|
BDBM179973 N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r|
BDBM50195799 Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(O)c1
BDBM183436 COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)[N+]#[C-] |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;.36,2.84,;.36,1.3,;-.97,.53,;-2.31,1.3,;-2.31,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;-.2,-5.42,;-.2,-6.96,;1.13,-7.73,;1.13,-9.27,;2.46,-6.96,;2.46,-5.42,;-3.64,8.23,;-4.98,9,)|
BDBM179976 N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
BDBM50199095 CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
BDBM50199096 CC(=O)c1ccc(OCc2cccc(F)c2)cc1F
BDBM50199097 CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
BDBM50199098 CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F
BDBM50199100 CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
BDBM50195818 COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(OC)c1
BDBM179984 N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
BDBM50199106 Fc1ccc(COc2ccc3C(=O)OCc3c2)cc1
BDBM50199107 CC1(C)CC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1
BDBM179646 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
BDBM243421 Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
BDBM243426 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
BDBM243427 Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1
BDBM243995 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
BDBM243996 Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
BDBM244001 CCn1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
BDBM244006 CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM244007 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
BDBM244016 OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
BDBM244027 O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1 |r|
BDBM261741 Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
BDBM261742 Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
BDBM261743 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
BDBM261744 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
BDBM261745 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
BDBM261746 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
BDBM261747 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
BDBM261748 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
BDBM243410 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCOCC1 |r|
BDBM243413 FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
BDBM243414 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM243415 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM243416 Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM243417 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM243418 FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM243419 Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
BDBM243420 Cc1nn(C)cc1NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|