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1558 SMILES Strings for Monoamine oxidase

Compound NameSMILES String
BDBM15581 CN(CCCOc1ccc(Cl)cc1Cl)CC#C
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM8960 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM153654 ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM153655 ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM153272 COc1ccc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c1
BDBM153273 COc1cc(\C=C\C(=O)c2c(O)cccc2OC)c(OC)cc1Br
BDBM153274 COc1ccc(O)c(c1)C(=O)\C=C\c1cccc(OC)c1OC
BDBM153275 COc1ccc(O)c(c1)C(=O)\C=C\c1cc(OC)c(Br)cc1OC
BDBM153276 COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
BDBM153277 COc1cccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c12
BDBM153278 COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
BDBM153279 COc1ccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c2c1
BDBM10727 CN(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10728 CCN(C)C(=O)Oc1ccc2CC[C@@H](N)c2c1 |r|
BDBM10729 CCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
BDBM10770 CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10771 CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
BDBM10774 CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
BDBM10775 CCCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
BDBM10776 CCN(CC#C)C1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10735 CNC1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10736 CCN(C)C(=O)Oc1ccc2CCC(NC)c2c1
BDBM10737 CCNC1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10781 CCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10782 CCCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10786 CCCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
BDBM10791 CCN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
BDBM10742 CN(C)C(=O)Oc1cccc2C(N)CCc12
BDBM10743 CCN(C)C(=O)Oc1cccc2C(N)CCc12
BDBM10793 CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
BDBM10794 CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
BDBM10820 CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10745 CCN(C)C(=O)Oc1ccc2CCCC(N)c2c1
BDBM10821 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)NCC#C
BDBM10822 CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10824 CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
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|
BDBM10751 CCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10829 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
BDBM10830 C[C@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
BDBM10831 C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
BDBM10757 CCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10760 CCCCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10761 CN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10762 COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10766 CCCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10804 CN(CC#C)[C@@H]1CCc2ccc(O)cc12 |r|
BDBM10805 CN(CC#C)[C@H]1CCc2ccc(O)cc12 |r|
BDBM10806 CN(CC#C)C1CCc2cccc(O)c12
BDBM10807 CN(CC#C)C1CCc2c1cccc2O
BDBM10989 C#CCN[C@@H]1CCc2ccccc12 |r|
BDBM10808 CCN(C)C(=O)Oc1cccc(CCN)c1
BDBM10809 CCCN(C)C(=O)Oc1cccc(CCN)c1
BDBM10810 CNCCc1cccc(OC(=O)N(C)C)c1
BDBM10811 CCN(C)C(=O)Oc1cccc(CCNC)c1
BDBM10812 CN(C)CCc1cccc(OC(=O)N(C)C)c1
BDBM10813 CN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10814 CCN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10815 CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
BDBM10816 CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
BDBM10754 CN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10817 CCN(C)C(=O)Oc1cccc(CCN(C)CC#C)c1
BDBM10818 CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
BDBM10819 CCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
BDBM10823 CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
BDBM10832 CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
BDBM10756 CCCN(C)C(=O)Oc1cccc2CCC(N)c12
BDBM10764 CCCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
BDBM10834 Oc1cccc(CCNCC#C)c1
BDBM10835 CN(CCc1cccc(O)c1)CC#C
BDBM10836 CC(Cc1cccc(O)c1)NCC#C
BDBM10837 CC(Cc1cccc(O)c1)N(C)CC#C
BDBM10772 CN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
BDBM10777 CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
BDBM10778 CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
BDBM10780 CN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
BDBM10783 CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
BDBM10784 CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
BDBM10787 CN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
BDBM10789 CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
BDBM10790 CN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
BDBM10792 CN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
BDBM10795 CN(C)C1CCc2ccc(OC(=O)N(C)C)cc12
BDBM10796 CN(C)C1CCc2c1cccc2OC(=O)N(C)C
BDBM10797 CN(C)C(=O)Oc1cccc(CCN)c1
BDBM10798 Oc1ccc2CCC(NCC#C)c2c1
BDBM10799 Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
BDBM10800 Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
BDBM10801 Oc1cccc2CCC(NCC#C)c12
BDBM10802 Oc1cccc2C(CCc12)NCC#C
BDBM10803 CN(CC#C)C1CCc2ccc(O)cc12
BDBM12342 O=c1ccc2ccccc2o1
BDBM15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
BDBM15583 O=C(NCc1ccccc1)c1ccc[nH]1
BDBM15584 CN(Cc1ccccc1)C(=O)c1ccc[nH]1
BDBM15592 CN(Cc1ccc[nH]1)Cc1ccccc1
BDBM15593 Cn1cccc1CNCc1ccccc1
BDBM15608 CN(CC#C)C(=O)c1ccc[nH]1
BDBM15613 Clc1ccc(cc1)C(=O)NCCN1CCOCC1
BDBM19180 O=C1c2ccccc2-c2ncnc(c12)-c1ccccc1
BDBM19181 O=C1c2ccccc2-c2nc(nnc12)-c1ccccc1
BDBM19182 Nc1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
BDBM19183 [O-][N+](=O)c1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
BDBM19184 [O-][N+](=O)c1cccc(c1)-c1nnc2-c3ccccc3C(=O)c2n1
BDBM19185 c1ccc2c(c1)[nH]c1c2nnc2ccccc12
BDBM19186 C1Cc2ccccc2-c2[nH]c3ccccc3c12
BDBM19187 [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
BDBM19188 CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM19163 Cc1cc2C(=O)c3ccccc3-c2nn1
BDBM19164 O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
BDBM19165 C1c2ccccc2-c2nnc(cc12)-c1ccccc1
BDBM19166 c1ccc(cc1)-c1cc2[nH]c3ccccc3c2nn1
BDBM19167 O=C1c2ccccc2-c2nnc(COc3ccccc3)cc12
BDBM19168 Fc1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
BDBM19169 FC(F)(F)c1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
BDBM19170 O=C1c2ccccc2-c2nnc(OCc3ccccc3)cc12
BDBM19171 O=C1c2ccccc2-c2nncc(c12)-c1ccccc1
BDBM19172 Clc1ccc(cc1)-c1cnnc2-c3ccccc3C(=O)c12
BDBM19173 O=C1c2ccccc2-c2nn(-c3ccccc3)c(=O)cc12
BDBM19174 Cc1ncc2-c3ccccc3C(=O)c2n1
BDBM19175 O=C1c2ccccc2-c2cnc(nc12)-c1ccccc1
BDBM19176 c1c2ccccc2c2c[nH]c(nc12)-c1ccccc1
BDBM19177 [O-][N+](=O)c1cccc(c1)-c1ncc2-c3ccccc3C(=O)c2n1
BDBM19178 O=C1c2ccccc2-c2nc(ncc12)-c1ccccc1
BDBM19179 C1c2ccccc2-c2nc(ncc12)-c1ccccc1
BDBM22787 CC(=O)N1C(=O)C(=O)c2ccccc12
BDBM21618 COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM28582 COc1cc(CC(C)N)c(OC)cc1I
BDBM28681 CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
BDBM29136 CC(C)NNC(=O)c1ccncc1
BDBM36551 CN(CC#C)Cc1ccc(O)c2ncccc12
BDBM36552 CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
BDBM36553 CCN(C)C(=O)Oc1ccc(CN(C)CC#C)c2cccnc12
BDBM34674 Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM76662 Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM92650 O=c1ccoc2cc(OCc3ccccc3)ccc12
BDBM92963 CN(CC#C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)cc1
BDBM50023870 CC=[C@@]=CCN(C)[C@@H](C)c1ccccc1 |r,wU:1.0,wD:7.6,(-11.08,4.31,;-10.69,2.82,;-9.2,2.42,;-7.71,2.02,;-6.62,.94,;-5.08,.94,;-4.31,2.27,;-4.31,-.4,;-5.08,-1.73,;-2.77,-.4,;-2,-1.73,;-.46,-1.73,;.31,-.4,;-.46,.94,;-2,.94,)|
BDBM50023872 CC=C=CCN(C)C |(-6.98,-2.69,;-5.86,-3.6,;-4.32,-3.6,;-2.78,-3.6,;-1.69,-4.69,;-.15,-4.69,;.62,-6.03,;.62,-3.36,)|
BDBM50452531 OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
BDBM50452532 CC=[C@]=CCNC[C@H](C)c1ccccc1 |r,wD:1.0,7.7,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
BDBM50452527 CC=[C@@]=CCN(C)CCc1ccccc1 |r,wU:1.0,(-26.83,4.06,;-26.06,5.39,;-24.52,5.39,;-22.98,5.39,;-22.21,4.06,;-20.67,4.06,;-19.9,5.41,;-19.9,2.73,;-18.36,2.75,;-17.59,1.41,;-16.05,1.43,;-15.27,.1,;-16.04,-1.25,;-17.58,-1.25,;-18.35,.08,)|
BDBM50452529 CC=C=CCN(C)[C@H]1CCCc2ccccc12 |r,wU:7.6,(16.6,-3.67,;17.37,-2.34,;18.91,-2.34,;20.45,-2.34,;21.22,-3.67,;22.76,-3.67,;23.53,-2.32,;23.53,-5,;25.07,-4.98,;25.84,-6.33,;25.07,-7.67,;23.53,-7.67,;22.78,-8.99,;21.24,-9.02,;20.45,-7.68,;21.22,-6.33,;22.76,-6.33,)|
BDBM50452530 CC=C=CCN(C)[C@@H]1CCCc2ccccc12 |r,wD:7.6,(16.6,-3.67,;17.37,-2.34,;18.91,-2.34,;20.45,-2.34,;21.22,-3.67,;22.76,-3.67,;23.53,-2.32,;23.53,-5,;25.07,-4.98,;25.84,-6.33,;25.07,-7.67,;23.53,-7.67,;22.78,-8.99,;21.24,-9.02,;20.45,-7.68,;21.22,-6.33,;22.76,-6.33,)|
BDBM50003592 CN1CCC(=CC1)C#Cc1ccccc1 |c:4|
BDBM50003594 CCCN1CCC(=CC1)c1ccccc1 |c:6|
BDBM50003595 CN1CCC(=CC1)C#C |c:4|
BDBM50003596 C=CCN1CCC(=CC1)c1ccccc1 |c:6|
BDBM50003597 C1CCC(C1)N1CCC(=CC1)c1ccccc1 |c:9|
BDBM50003598 CN1CCC(C=C)=CC1 |c:6|
BDBM50003599 CN1CCC(=CC1)c1ccccc1 |c:4|
BDBM50003600 C#CCN1CCC(=CC1)c1ccccc1 |c:6|
BDBM50003140 CCCCCC(C)N(C)CC#C
BDBM50003141 CCC(CC)N(C)CC#C
BDBM50003142 CCCCCN(C)CC#C
BDBM50003143 CCCCN(C)CC#C
BDBM50003144 CCCCC(C)N(C)CC#C
BDBM50003145 CCCCCCCN(C)CC#C
BDBM50003147 CC(C)N(C)CC#C
BDBM50003148 CCCC(C)N(C)CC#C
BDBM50003149 CCCCCCCCCCC(C)N(C)CC#C
BDBM50003138 CCCCCCCCC(C)N(C)CC#C
BDBM50003139 CCC(C)N(C)CC#C
BDBM50005246 CC(N)Cc1ccccc1
BDBM50005251 COc1ccc(OC)c(CC(C)N)c1
BDBM50005359 [NH3+]C[C@@H]1C[C@@H](C(=O)O1)c1ccccc1
BDBM50005360 COc1ccc(cc1)[C@H]1C[C@@H](C[NH3+])OC1=O
BDBM50005361 COc1ccc(cc1)[C@@H]1C[C@@H](C[NH3+])OC1=O
BDBM50005362 [NH3+]C[C@@H]1C[C@H](C(=O)O1)c1ccccc1
BDBM50005257 COc1cc(CC(C)N)c(OC)cc1Br
BDBM50005264 COc1ccc(CC(C)N)c(OC)c1
BDBM50005265 COc1cc(CC(C)N)c(OC)cc1C
BDBM50005270 CCOc1ccc(CC(C)N)cc1
BDBM50007402 CCCN1CCN(CC1)c1ccccc1
BDBM50009743 OCC(O)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009744 CC(=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009745 C=Cc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009746 OCCc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009747 CC(O)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009741 CCc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50009742 OC(=O)Cc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50453314 C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
BDBM50012278 CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
BDBM50014640 C[C@H]1NCCc2cc(O)c(O)cc12
BDBM50014645 COS(O)(=O)=O.COc1cc2c(C)nccc2cc1O
BDBM50014636 COc1cc2CCN[C@H](C)c2cc1OC
BDBM50017850 CC(C)C(=O)c1ccc(O)c(O)c1
BDBM50017857 Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O
BDBM50018453 CN(C)CCc1ccccc1
BDBM50017845 COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
BDBM50014991 COc1cc(CC(C)N)c(OC)cc1N
BDBM50014996 COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50016907 CN(C)CCCCc1ccccc1
BDBM50018544 CN1CCC2C(C1)=Cc1ccccc21 |c:7|
BDBM50018545 CN1CCc2c(C1)[nH]c1ccccc21
BDBM50018546 CN1CCC2=C(Cc3ccccc23)C1 |t:4|
BDBM50023868 CC=C=CCN(C)C(C)c1ccccc1 |(7.39,-7.52,;8.16,-6.2,;9.7,-6.2,;11.24,-6.2,;12.01,-7.52,;13.55,-7.52,;14.32,-6.19,;14.32,-8.87,;13.55,-10.2,;15.86,-8.85,;16.63,-10.18,;18.17,-10.18,;18.93,-8.83,;18.14,-7.51,;16.6,-7.52,)|
BDBM50023869 N[C@@H]1CCCc2ccccc12
BDBM50023873 CN[C@@H]1CCCc2ccccc12
BDBM50023875 CN[C@H]1CCCc2ccccc12
BDBM50023876 N[C@H]1CCCc2ccccc12
BDBM50022721 C[C@@H](N)Cc1ccccc1 |r|
BDBM50022723 C[C@H](N)Cc1ccccc1 |r|
BDBM50022805 CN1CCC\C(C1)=C\c1ccccc1
BDBM50022806 CN(C)C\C=C\c1ccccc1
BDBM50022808 CN1CCC\C(C1)=C/c1ccccc1
BDBM50227522 CC=C=CCN(C)C[C@H](C)c1ccccc1 |r,w:1.0,wD:8.8,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,1.84,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
BDBM50025077 CCC(N)Cc1ccc2NCCc2c1
BDBM50025078 CC(N)Cc1cc2CCNc2cc1C
BDBM50025079 CC(N)Cc1ccc(cc1C)N(C)C
BDBM50025080 CCC(N)Cc1ccc2NCCc2c1Cl
BDBM50025081 CC(N)Cc1ccc2NCCc2c1
BDBM50025082 CC(N)Cc1ccc2NCCc2c1Cl
BDBM50025083 CC(C)(N)Cc1ccc2NCCc2c1
BDBM50025084 CCN1CCc2cc(CC(C)N)c(C)cc12
BDBM50025085 CCN1CCc2c1ccc(CC(C)N)c2C
BDBM50025086 CC(N)Cc1ccc2NCCc2c1C
BDBM50024201 COc1ccc(CC(C)N)cc1OC
BDBM50024209 COc1ccc(CC(C)N)cc1
BDBM50224946 C=C=CCN1CCc2ccccc2C1
BDBM50029100 CC(N)Cc1ccc(Cl)cc1
BDBM50224947 NCC(Cc1ccccc1)=C=C
BDBM50224949 CC(C=C=C)N(C)Cc1ccccc1
BDBM50224965 Cc1ccc(CC(CN)=C=C)cc1
BDBM50028628 C[C@@H](N)c1ccccc1 |r|
BDBM50028638 C[C@H](N)c1ccccc1 |r|
BDBM50225452 Cl.NC\C(=C\F)c1ccc(O)c(O)c1
BDBM50225457 Cl.COc1ccccc1\C(CN)=C/F
BDBM50026188 NCC(=C)c1ccccc1
BDBM50029797 N#CCCn1nnc(n1)-c1ccncc1
BDBM50029798 N#CCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029799 COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
BDBM50029800 Clc1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029801 COc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
BDBM50029802 COc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
BDBM50029803 Fc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
BDBM50029804 N#CCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029805 Cc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
BDBM50029806 OCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029807 OCCn1nnc(n1)-c1ccc(Cl)cc1
BDBM50029808 OCCn1nnc(n1)-c1ccc(OCc2ccc(F)cc2)cc1
BDBM50029809 Cc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
BDBM50029810 OCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
BDBM50029811 [O-][N+](=O)c1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029812 OCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029813 COc1ccc(cc1)-c1nnn(CCO)n1
BDBM50029814 Cc1ccccc1COc1ccc(cc1)-c1nnn(CCO)n1
BDBM50029815 N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
BDBM50029816 NCCNC(=O)c1ccc(Cl)cn1
BDBM50029817 OCCn1nnc(n1)-c1ccncc1
BDBM50029818 OCCn1nnc(n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50029819 OCCn1nnc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1
BDBM50029820 OCCn1nnc(n1)-c1ccc(OCc2ccc(Cl)cc2)cc1
BDBM50029821 Clc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029822 N#CCCn1nnc(n1)-c1ccccc1
BDBM50029823 Cc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
BDBM50029824 Clc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
BDBM50029825 O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50029826 COc1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029794 OCCn1nnc(n1)-c1ccc(OCc2ccccc2I)cc1
BDBM50029795 OCCn1nnc(n1)-c1ccc(OCc2ccccc2Cl)cc1
BDBM50029796 Ic1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029827 COc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
BDBM50029828 Cc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
BDBM50029829 N#CCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029830 OCCn1nnc(n1)-c1ccccc1
BDBM50029831 OCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029832 N#CCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029833 OCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
BDBM50029834 OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1
BDBM50029835 Clc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
BDBM50029836 COc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
BDBM50029837 Cc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
BDBM50029838 S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50031049 O=C1c2ccccc2-c2nnccc12
BDBM50031050 FC(F)(F)c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031051 Clc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031052 CCOC(=O)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
BDBM50031053 Fc1ccc(cc1F)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031054 O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)N1CCCCC1
BDBM50031055 COc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031056 Oc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
BDBM50031057 O=C1c2ccccc2-c2nnc3CCc4ccccc4-c3c12
BDBM50031058 COc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
BDBM50031059 Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031060 O=C1c2ccccc2-c2nncc(Cc3ccccc3)c12
BDBM50031061 O=C1c2ccccc2-c2nnc(cc12)-c1ccc2ccccc2c1
BDBM50031062 CCCCOc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031063 O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc12
BDBM50031064 O=C1c2ccccc2-c2nnc(cc12)-c1cccnc1
BDBM50031065 COc1cc(ccc1O)-c1cc2C(=O)c3ccccc3-c2nn1
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
BDBM50031021 Fc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031022 O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc12
BDBM50031067 Oc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031068 Oc1c2ccccc2c2n[nH]c3c(ccc4ccccc34)c12
BDBM50031069 Clc1cc(Cl)cc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031070 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031071 Brc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031072 COc1ccc(cc1OC)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031023 O=C1c2ccccc2-c2nnc3CCCCc3c12
BDBM50031024 Cc1nnc2-c3ccccc3C(=O)c2c1-c1ccccc1
BDBM50031025 Cc1nnc2-c3ccccc3C(=O)c2c1Cc1ccccc1
BDBM50031073 Nc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031074 O=C1c2ccccc2-c2nnc(cc12)-c1ccco1
BDBM50031075 O=C1c2ccccc2-c2nnc(cc12)-c1cccc(c1)C#N
BDBM50031026 O=C1c2ccccc2-c2nnc(cc12)-c1cccs1
BDBM50031027 CC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031076 OC(=O)CCc1cc2C(=O)c3ccccc3-c2nn1
BDBM50031077 OC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031078 COc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031028 [O-][N+](=O)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031029 O=C(c1ccccc1)c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031030 Oc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031031 O=C1c2ccccc2-c2nnc-3c(CCc4ccccc-34)c12
BDBM50031032 O=C(c1ccccc1)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
BDBM50031033 FC(F)(F)c1ccccc1-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
BDBM50031040 Cc1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
BDBM50031041 O=C1c2ccccc2-c2nnc(cc12)-c1cccc2ccccc12
BDBM50031042 O=C1c2ccccc2-c2nnc(cc12)-c1ccccn1
BDBM50031043 CC(=O)Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031044 Brc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031045 Clc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031046 O=C1c2ccccc2-c2nnc3ccccc3c12
BDBM50031047 [O-][N+](=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50031048 FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50036731 CN(C)CCC(=O)c1ccccc1
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50038941 CC(=O)Nc1ccc2C(=O)c3ccc(C)cc3S(=O)(=O)c2c1
BDBM50038942 CC(=O)Nc1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50038943 CN1c2ccc(NC(C)=O)cc2S(=O)(=O)c2cc(NC(C)=O)ccc12
BDBM50038934 CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
BDBM50038944 CC(=O)Nc1ccc2c(c1)[nH]c1ccccc21
BDBM50038945 O=CNc1ccc2c(c1)[nH]c1ccccc21
BDBM50038946 CCCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
BDBM50038947 CC(=O)Nc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50038949 CCC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
BDBM50038928 CC(=O)Nc1ccc2c(c1)oc(=O)c1ccccc21
BDBM50038929 CC(=O)Nc1ccc-2c(c1)C(O)c1ccccc-21
BDBM50038930 CC(=O)Nc1ccc2-c3ccccc3C(=O)c2c1
BDBM50038931 O=CNc1ccc2c(c1)-c1ccccc1S2(=O)=O
BDBM50038932 CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
BDBM50038933 Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
BDBM50038935 CC(=O)Nc1ccc2c(c1)oc1ccccc21
BDBM50038936 CC(=O)Nc1ccc2c(c1)n(C)c1ccccc21
BDBM50038937 CC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
BDBM50038938 CCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
BDBM50038939 CC(=O)Nc1ccc2Nc3ccccc3S(=O)(=O)c2c1
BDBM50038940 CC(=O)Nc1ccc2-c3ccc(cc3C(=O)c2c1)[N+]([O-])=O
BDBM50039783 CCCN1CCN(CC1)c1ccccc1OC
BDBM50038370 COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
BDBM50042592 CNCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
BDBM50042944 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50042587 COc1ccc(cc1)C1CC(CN)OC1=O
BDBM50042588 NCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
BDBM50042589 CN(C)CC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
BDBM50042586 COc1ccc(cc1)N1CC(CN)CC1=O
BDBM50047024 [O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
BDBM50047025 Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
BDBM50047026 Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
BDBM50047027 Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
BDBM50047028 Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
BDBM50047029 COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
BDBM50047032 COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
BDBM50047033 Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
BDBM50047034 O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50047035 Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
BDBM50047036 COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
BDBM50047037 Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
BDBM50047038 COc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:16|
BDBM50047039 [O-][N+](=O)c1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:16|
BDBM50047040 Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
BDBM50047041 COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
BDBM50047042 S=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
BDBM50047043 [O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
BDBM50047044 COc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:15|
BDBM50047046 Cc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
BDBM50047047 Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
BDBM50047048 O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
BDBM50047049 Clc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
BDBM50047050 Cc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
BDBM50046766 CCCCCNCC#N
BDBM50046767 CCCCCNCC(=O)OCC
BDBM50046768 CCCCCNCC(N)=O
BDBM50046769 CCCCCNCCC#N
BDBM50047022 S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
BDBM50049692 C1CN=C(N1)c1ccc2Oc3ccccc3Sc2c1 |c:2|
BDBM50049697 Cc1nc(no1)-c1ccc2Oc3ccccc3Sc2c1
BDBM50049698 COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
BDBM50049699 CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
BDBM50049700 C1CN=C(N1)c1ccc2Sc3ccccc3Sc2c1 |c:2|
BDBM50049701 Cc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50049702 COc1nc(no1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50049703 CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
BDBM50049704 Cc1nnc(o1)-c1ccc2c(OOc3ccccc3C2=O)c1
BDBM50049705 CN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
BDBM50049706 O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCSCC1)C1=NCCN1 |t:27|
BDBM50049676 O=c1c2ccccc2sc2cc(ccc12)C1=NCCN1 |t:18|
BDBM50049693 CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
BDBM50049694 O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
BDBM50049695 CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049696 Fc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
BDBM50049665 C=CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049666 Cn1nnc(n1)-c1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50049667 CCc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50049668 CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049670 CCCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
BDBM50049671 Cc1nnc(o1)-c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
BDBM50049672 CCn1nnc(n1)-c1ccc2c(c1)oc1ccc(O)cc1c2=O
BDBM50049673 C1CN=C(N1)c1ccc2Oc3ccc(cc3Sc2c1)C1=NCCN1 |c:2,t:23|
BDBM50049674 COc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50049675 CCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049677 O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCOCC1)C1=NCCN1 |t:27|
BDBM50049678 CCCOc1ccc2sc3cc(ccc3c(=O)c2c1)-c1nnc(C)o1
BDBM50049679 CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
BDBM50049680 CCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
BDBM50049681 NCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049682 COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
BDBM50049683 CNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
BDBM50049684 Clc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
BDBM50049685 CCN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049686 COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
BDBM50049687 CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
BDBM50049688 Cn1nnc(n1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50049689 Cc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
BDBM50049690 OCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
BDBM50049691 O=S1(=O)c2ccccc2Oc2ccc(cc12)C1=NCCN1 |t:19|
BDBM50047896 CCCNCCc1ccccc1
BDBM50047897 CN(C)CCCc1ccccc1
BDBM50047898 CCCCCN(C)C
BDBM50057301 NCC12C3C4C5C3C1C5C24 |(11.3,-2.97,;10.29,-2.28,;9.19,-2.8,;8.78,-2.39,;7.25,-2.3,;7.04,-3.84,;8.58,-3.93,;8.99,-4.34,;7.44,-4.25,;7.65,-2.71,)|
BDBM50057302 NCC12C3C4C1C1C2C3C41c1ccccc1 |(14.26,-3.75,;12.99,-2.87,;11.59,-3.54,;9.65,-3.42,;9.39,-5.36,;11.34,-5.47,;10.82,-4.96,;11.08,-3.02,;9.14,-2.9,;8.88,-4.84,;7.51,-5.52,;7.41,-7.05,;6.03,-7.72,;4.74,-6.87,;4.84,-5.33,;6.22,-4.66,)|
BDBM50057303 NCC12C3C4C1C1C2C3C41C1CC1 |(14.18,-3.72,;12.92,-2.86,;11.53,-3.52,;9.59,-3.4,;9.34,-5.33,;11.28,-5.44,;10.76,-4.93,;11.02,-3,;9.09,-2.88,;8.84,-4.82,;7.47,-5.49,;5.93,-5.39,;6.61,-6.77,)|
BDBM50059297 CNC(=O)c1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50059298 CNC(=O)c1ccc2C(=O)c3cc(OCC(=O)OC)ccc3S(=O)(=O)c2c1
BDBM50059299 CNC(=O)c1ccc2C(Cl)c3ccccc3C(Cl)c2c1
BDBM50059300 CNC(=O)c1ccc2C(=O)c3cccc(C)c3S(=O)(=O)c2c1
BDBM50059302 CNC(=O)Oc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50059303 CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)C(C)C
BDBM50059304 CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
BDBM50059305 CNC(=O)c1ccc2N(C)c3ccccc3S(=O)(=O)c2c1
BDBM50059306 CNC(=O)c1ccc2c(c1)sc1ccccc1c2=O
BDBM50059258 O=S1(=O)c2ccccc2Oc2cccnc12
BDBM50059260 O=C1c2ccccc2S(=O)(=O)c2ccccc12
BDBM50059261 CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)N(C)C
BDBM50059262 CC(=O)c1ccc2c(Oc3ccc(cc3S2(=O)=O)C(C)=O)c1
BDBM50059263 CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(N)=O
BDBM50059264 CNC(=O)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
BDBM50059265 O=c1c2ccccc2sc2ccccc12
BDBM50059266 O=S1(=O)c2ccccc2Oc2ccc(cc12)C#N
BDBM50059267 CNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50059268 CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)C(C)O
BDBM50059269 O1c2ccccc2Sc2ncccc12
BDBM50059270 O=S1(=O)c2ccccc2Oc2ccccc12
BDBM50059271 CNC(=O)c1ccc2Oc3ccccc3Sc2c1
BDBM50059272 NC(=N)c1ccc-2c(Cc3ccccc-23)c1
BDBM50059273 CNC(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
BDBM50059274 COCCOC(=O)COc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
BDBM50059275 CNC(=O)c1ccc2C(=O)c3cc(OC(C)=O)ccc3S(=O)(=O)c2c1
BDBM50059276 O=S1(=O)c2ccccc2Oc2cc(ccc12)C#N
BDBM50059278 CNC(=O)c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
BDBM50059279 CNC(=O)c1ccc2C(=O)c3cc(C)cc(C)c3S(=O)(=O)c2c1
BDBM50059280 N#Cc1ccc2Oc3ccccc3Sc2c1
BDBM50059283 CNC(=O)c1ccc2Nc3ccccc3Sc2c1
BDBM50059285 CC(=O)NCCNC(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
BDBM50059286 Brc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
BDBM50059287 CNC(=O)c1ccc2C(O)c3ccccc3S(=O)(=O)c2c1
BDBM50059288 CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(N)=O
BDBM50059289 COc1cc(CNC(=O)c2ccc3C(=O)c4ccccc4S(=O)(=O)c3c2)cc(OC)c1OC
BDBM50059291 Clc1ccc2c(Cc3ccccc3S2(=O)=O)c1
BDBM50059292 CNC(=N)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50059293 O1c2ccccc2Sc2ccccc12
BDBM50059296 CCNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
BDBM50066938 O=C1CCCc2nnc(cc12)-c1ccccc1
BDBM50066939 O=c1[nH]c2nnc(cc2c(=O)[nH]1)-c1ccccc1
BDBM50064693 CCc1cccc2Oc3cc(O)ccc3S(=O)(=O)c12
BDBM50064669 COC(=O)C(=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50065305 Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50064662 CC(=O)c1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50064663 CCc1cccc2c1Oc1ccccc1S2(=O)=O
BDBM50064664 O=S1(=O)c2ccccc2Oc2cccc(C#C)c12
BDBM50064665 CCc1ccc2Sc3ccccc3Oc2c1
BDBM50064666 COC(C)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064667 Cc1cccc2C(=O)c3cccc(C)c3S(=O)(=O)c12
BDBM50064668 OCc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064670 Ic1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064671 CCc1cccc2c1sc1ccccc1c2=O
BDBM50064672 CCc1cccc2C(=O)c3ccccc3S(=O)(=O)c12
BDBM50064673 Cc1cccc2Oc3ccccc3Sc12
BDBM50064674 Brc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064675 Cc1ccc2c(Oc3ccccc3S2(=O)=O)c1
BDBM50064676 CC(=O)Oc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50064677 BrCc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064678 FC(F)(F)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064679 Cc1cccc2c1sc1ccccc1c2=O
BDBM50064680 CCc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50064681 Cc1cccc2c1Oc1ccccc1S2(=O)=O
BDBM50064682 CCc1ccc2c(Oc3ccccc3S2=O)c1
BDBM50064683 Cc1cccc2Oc3ccccc3S(=O)c12
BDBM50064684 CCc1ccc2c(Oc3ccccc3S2(=O)=O)c1
BDBM50064685 Cc1cccc2Oc3cccc(C)c3S(=O)(=O)c12
BDBM50064686 CCOc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50064687 COc1ccc2Oc3ccccc3S(=O)(=O)c2c1
BDBM50064688 Cc1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064689 Brc1ccc2c(Oc3ccccc3S2(=O)=O)c1
BDBM50064690 OC(C[N+]([O-])=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
BDBM50064691 Cc1cccc2C(=O)c3ccccc3S(=O)(=O)c12
BDBM50064692 CCc1c(OC)ccc2Oc3ccccc3S(=O)(=O)c12
BDBM50063544 CSc1ccc(CC(C)N)cc1
BDBM50080950 C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
BDBM50085045 Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50087791 COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
BDBM50087792 CNCc1cn(Cc2ccccc2)c2ccccc12
BDBM50087793 CCNCc1cn(Cc2ccccc2)c2ccccc12
BDBM50087794 CC#CCN(C)Cc1cc2ccccc2n1C
BDBM50087795 Cn1c(CNCC#C)cc2cc(O)ccc12
BDBM50087796 COc1ccc2n(C)c(CNCC#C)cc2c1
BDBM50087797 CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1
BDBM50087798 C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1
BDBM50087799 C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
BDBM50087800 C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50087801 COc1ccc2n(C)c(CN(C)CC#C)cc2c1
BDBM50087802 Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12
BDBM50087803 CN(CC#C)Cc1cc2cc(O)ccc2n1C
BDBM50087804 Cn1c(CNCC#C)cc2ccccc12
BDBM50087805 CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12
BDBM50087806 CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
BDBM50087807 CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50087808 Cn1c(CNCc2ccccc2)cc2ccccc12
BDBM50087809 CN(CC#C)Cc1cc2ccccc2n1C
BDBM50087789 C(NCc1ccccc1)c1cc2ccccc2[nH]1
BDBM50087790 CC#CCN(C)Cc1cc2cc(O)ccc2n1C
BDBM50086502 C1CN=C(N1)c1cc2ccccc2o1 |c:2|
BDBM50105416 NN(C\C=C\c1ccccc1)CC#C
BDBM50105417 NNCCc1ccccc1
BDBM50105418 NN(CCc1ccccc1)CC#C
BDBM50105419 C#CCNNC\C=C\c1ccccc1
BDBM50105420 C#CCNNCCc1ccccc1
BDBM50105421 C#CCNNCc1ccccc1
BDBM50105422 NN(CC#C)c1ccccc1
BDBM50105423 NN(CC#C)Cc1ccccc1
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,)|
BDBM50110714 OC[C@H]1CN(C(=O)O1)n1cccc1
BDBM50110715 COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
BDBM50110716 OC[C@@H]1CN(C(=O)O1)n1cccc1
BDBM50110717 [N-]=[N+]=NC[C@H]1CN(C(=O)O1)n1cccc1
BDBM50110718 CN(C)C[C@H]1CN(C(=O)O1)n1cccc1
BDBM50110719 COC[C@H]1CN(C(=O)O1)n1cccc1
BDBM50110720 [N-]=[N+]=NC[C@@H]1CN(C(=O)O1)n1cccc1
BDBM50110721 NC[C@H]1CN(C(=O)O1)n1cccc1
BDBM50110723 COC[C@@H]1CN(C(=O)O1)n1cccc1
BDBM50110724 NC[C@@H]1CN(C(=O)O1)n1cccc1
BDBM50110725 Cc1cccc(c1)N1CC(CO)OC1=O
BDBM50121455 CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O |c:4|
BDBM50121456 CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
BDBM50121457 CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
BDBM50121458 CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O |c:4|
BDBM50124542 Fc1ccc(CNC(=O)c2ccc[nH]2)cc1
BDBM50124543 CN(Cc1cccc(F)c1)C(=O)c1cccn1C
BDBM50124544 O=C(NCCN1CCOCC1)c1ccc[nH]1
BDBM50124545 CN(Cc1ccccc1F)C(=O)c1cccn1C
BDBM50124546 Cn1cccc1C(=O)NCc1ccccc1F
BDBM50124547 CN(Cc1ccccc1)C(=C)c1ccc[nH]1
BDBM50124548 CN(CC#C)C(=C)c1ccc[nH]1
BDBM50124549 CN(Cc1ccccc1)C(=O)c1cccn1C
BDBM50124550 CN(Cc1ccc(F)cc1)C(=O)c1cccn1C
BDBM50124551 Cn1cccc1C(=O)NCc1ccc(F)cc1
BDBM50124552 Fc1cccc(CNC(=O)c2ccc[nH]2)c1
BDBM50124553 Cn1cccc1C(=O)NCc1cccc(F)c1
BDBM50124554 CN(Cc1ccccc1)C(=C)c1cccn1C
BDBM50124555 Fc1ccccc1CNC(=O)c1ccc[nH]1
BDBM50124556 O=C(NCC1CCCCC1)c1ccc[nH]1
BDBM50124557 Cn1cccc1C(=O)NCc1ccccc1
BDBM50122758 Cc1nc(cs1)C#Cc1cccnc1
BDBM50128111 C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
BDBM50138501 C1CN=C(N1)c1ccco1 |c:2|
BDBM50148573 O=C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
BDBM50148808 Cn1c2ccccc2c2nnc(N)c(-c3cccc(Br)c3)c12
BDBM50148809 Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1Cl |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.73,1.37,;6.27,1.44,;7.1,.14,;8.64,.2,;9.45,-1.1,;8.73,-2.45,;7.19,-2.52,;6.38,-1.21,;4.84,-1.26,)|
BDBM50148810 CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3n(C)c12
BDBM50148811 Cc1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
BDBM50148812 CN(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
BDBM50148813 CC(C)c1ccc(cc1)-c1c(N)nnc2c3cc(Br)ccc3[nH]c12
BDBM50148814 Nc1nnc2c3cc(Br)ccc3[nH]c2c1-c1ccccc1
BDBM50148816 Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1F |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.73,1.37,;6.27,1.44,;7.1,.14,;8.64,.2,;9.45,-1.1,;8.73,-2.45,;7.19,-2.52,;6.38,-1.21,;4.84,-1.26,)|
BDBM50148817 Nc1nnc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.17,-1.29,;3.08,-2.37,;1.61,-1.98,;.52,-3.06,;.92,-4.54,;2.4,-4.94,;3.49,-3.85,;4.73,1.37,;6.27,1.44,;7.1,.14,;6.38,-1.21,;7.19,-2.52,;8.73,-2.45,;9.45,-1.1,;8.64,.2,;9.97,.98,)|
BDBM50148818 CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
BDBM50148819 Cn1c2ccccc2c2nnc(N)c(-c3ccccc3)c12
BDBM50148821 CCn1c2ccccc2c2nnc(N)c(-c3ccc(cc3)C(C)C)c12
BDBM50148823 CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3n(CCN(C)C)c12
BDBM50161135 CNc1cnccc1CN
BDBM50161136 NCc1c(OCCO)cncc1OCCO
BDBM50161138 NCc1ccncc1N
BDBM50161139 NCc1ccncc1NC1CCCC1
BDBM50161140 NCc1ccncc1NCC1CCCCC1
BDBM50161141 NCc1ccncc1N(C1CCCC1)C1CCCC1
BDBM50161143 CCOc1cncc(OCC)c1CN
BDBM50161146 CNc1cncc(N(C)C)c1CN
BDBM50161147 NCc1ccncc1NC1CC1
BDBM50161148 NCc1ccncc1NC1CCCCC1
BDBM50161151 CCCNc1cncc(N(C)CCC)c1CN
BDBM50161152 CC(C)Nc1cnccc1CN
BDBM50161153 CNc1cncc(NC)c1CN
BDBM50161131 CCOc1cncc(OCc2ccccc2)c1CN
BDBM50161132 CCNc1cnccc1CN
BDBM50161133 NCc1ccncc1NC1CCCCCC1
BDBM50161134 CCNc1cncc(N(C)CC)c1CN
BDBM50164318 CCCCCSc1cc(OC)c(CC(C)N)cc1OC
BDBM50164319 CC(Cc1ccccc1)NCC(N)Cc1ccccc1
BDBM50164320 CC(C)CSc1ccc(CC(C)N)cc1
BDBM50164321 CCCSc1cc(OC)c(CC(C)N)cc1OC
BDBM50164322 CCCSc1cc(OC)c(CC(N)CC)cc1OC
BDBM50164323 COc1cc(Br)c(CC(C)N)cc1OC
BDBM50164324 COc1cc(SC)cc(OC)c1CC(C)N
BDBM50164325 CCCSc1cc(OC)c(CC(C)NC)cc1OC
BDBM50164326 CCSc1cc(OC)c(CC(C)N)c(OC)c1
BDBM50164327 CCSc1ccc(CC(C)N)cc1
BDBM50164328 COc1cc(OC)c(CC(C)N)c(OC)c1
BDBM50164329 COc1cc(SC)c(OC)cc1CC(C)N
BDBM50164330 COc1cc(SC(C)C)c(OC)cc1CC(C)N
BDBM50164331 CCSc1cc(OC)c(CC(N)CC)cc1OC
BDBM50164332 COc1cc(OC)c(CC(C)N)cc1Br
BDBM50164333 CCCSc1cc(OC)c(CC(CC)NC)cc1OC
BDBM50164334 CNC(C)Cc1cc(OC)c(SC)cc1OC
BDBM50164335 COc1cc(SCCc2ccccc2)c(OC)cc1CC(C)N
BDBM50164336 COc1cc(Cl)c(CC(C)N)c(OC)c1
BDBM50164337 CCSc1cc(OC)c(CC(C)N)cc1OC
BDBM50164338 CCCCSc1cc(OC)c(CC(C)N)cc1OC
BDBM50164339 CCSc1cc(OC)c(CC(C)NC)cc1OC
BDBM50164340 CCC(Cc1cc(OC)c(SC)cc1OC)NC
BDBM50164341 CCC(N)Cc1cc(OC)c(SC)cc1OC
BDBM50164342 CCSc1cc(OC)c(CC(CC)NC)cc1OC
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
BDBM50172756 CN(CC#C)Cc1ccccc1
BDBM50175013 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]
BDBM50175016 [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c12)C([#6])([#6])[#6]=[#6]
BDBM50175017 [#6]-[#8]-c1c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]
BDBM50179015 NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50179017 NNc1nc2ccccc2nc1Cc1ccc(Cl)cc1
BDBM50179014 CNCCNc1nc2ccccc2nc1Cc1ccccc1
BDBM50179016 Clc1cc2nc(Cc3ccccc3)c(NCCN3CCOCC3)nc2cc1Cl
BDBM50179018 NNc1nc2cc(Cl)c(Cl)cc2nc1Cc1ccccc1
BDBM50179019 C(CN1CCOCC1)Nc1nc2ccccc2nc1Cc1ccccc1
BDBM50179020 OCCNc1nc2ccccc2nc1Cc1ccccc1
BDBM50179021 Clc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
BDBM50188723 Cc1cc2C(=O)c3ccc(OCc4ccccc4)cc3-c2nn1
BDBM50188724 COc1ccc2C(=O)c3cc(C)nnc3-c2c1
BDBM50194199 OCc1ccc(cc1)-c1ccc(o1)C1=NCCN1 |t:15|
BDBM50194200 Nc1cccc(c1)-c1ccc(o1)C1=NCCN1 |t:14|
BDBM50194201 C1CN=C(N1)c1ccc(nc1)-c1ccccc1 |c:2|
BDBM50193718 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2cc3-[#8]C([#6])([#6])[#6]=[#6]-c3c(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:15|
BDBM50193719 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|
BDBM50213675 CSc1ccc(C[C@H](C)N)cc1
BDBM50213676 CCSc1ccc(C[C@H](C)N)cc1
BDBM50213677 CCCSc1ccc(C[C@H](C)N)cc1
BDBM50213678 CCCCSc1ccc(C[C@H](C)N)cc1
BDBM50217268 [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(oc3cc(-[#8])c(-[#8])cc3c2=O)c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50217269 CC(C)(O)CCc1c(O)c(O)cc2oc3c(c(O)cc(O)c3c(=O)c12)C(C)(C)C=C
BDBM50217270 CC(C)(C=C)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
BDBM50217272 [#6]-[#6]1-[#8]-c2cc(-[#8])c3c(oc4cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4c3=O)c2C1([#6])[#6]
BDBM50217273 CC(C)(C=C)c1c(O)cc2oc3c4C=CC(C)(C)Oc4c(O)cc3c(=O)c2c1O |c:13|
BDBM50217274 [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c12 |c:23|
BDBM50217368 CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:7|
BDBM50217369 CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5|
BDBM50217370 CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:7|
BDBM50217371 Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8|
BDBM50217372 COc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:9|
BDBM50217373 CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:6|
BDBM50217374 CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:5|
BDBM50217375 CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:6|
BDBM50217377 CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:5|
BDBM50217378 CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:7|
BDBM50217379 CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:6|
BDBM50221291 C[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
BDBM50221292 NC(=O)CNCc1ccc(OCc2cccc(F)c2)cc1
BDBM50221295 C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(N)=O
BDBM50221276 NC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1
BDBM50221278 NC(=O)CNCc1ccc(OCc2ccccc2)cc1
BDBM50221279 C[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
BDBM50221280 NC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1
BDBM50221281 NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
BDBM50221282 NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1
BDBM50221283 NC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
BDBM50221284 C[C@@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
BDBM50221285 C[C@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
BDBM50221286 NC(=O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1
BDBM50221287 NC(=O)CNCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50221289 NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
BDBM50240393 COc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50240362 Cc1ccc(cc1)C1=NCCN1 |t:8|
BDBM50240363 C1CN=C(N1)c1ccccc1 |c:2|
BDBM50240364 COc1ccc(cc1)C1=NCCN1 |t:9|
BDBM50240365 C1CN=C(N1)c1ccc2ccccc2n1 |c:2|
BDBM50236898 N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50240366 C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
BDBM50240368 C1CN=C(N1)c1ccccn1 |c:2|
BDBM50231957 Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50261815 COc1ccc(cc1OC)C(\CN)=C/F
BDBM50245867 COc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11|
BDBM50247700 Cn1c(N=NC(=CCc2ccc(Br)cc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247701 CCOc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:8.7,11.11|
BDBM50247702 COc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1OC |w:7.6,10.10|
BDBM50247703 Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)c1nc2ccccc2c(=O)n1C |t:8|
BDBM50246108 COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccc(O)cc2O)cc1 |c:10|
BDBM50246109 Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:10|
BDBM50246110 COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1 |c:10|
BDBM50246111 COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:13|
BDBM50247714 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1cccs1)c1ccc(Cl)cc1 |c:15|
BDBM50247715 COc1ccc(cc1)C1=NN(C(C1)c1cccs1)c1nc2ccccc2c(=O)n1C |t:9|
BDBM50247716 Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccccc2c(=O)n1C |t:8|
BDBM50247717 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:15|
BDBM50246201 Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
BDBM50246202 Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
BDBM50246203 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1C)c1ccccc1O |c:12|
BDBM50246554 Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:8|
BDBM50247755 COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccccc2c(=O)n1C |t:9|
BDBM50247756 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:15|
BDBM50246149 COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:13|
BDBM50246150 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccccc1O |c:12|
BDBM50246151 COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(O)cc1O |c:13|
BDBM50246152 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O |c:12|
BDBM50247602 Cc1ccc(cc1)C(=CCc1cccs1)N=Nc1nc2ccccc2c(=O)n1C |w:8.9,16.18|
BDBM50247603 Cn1c(N=NC(=CCc2cccs2)c2ccc(Cl)cc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247604 COc1ccc(cc1)C(=CCc1cccs1)N=Nc1nc2ccccc2c(=O)n1C |w:9.10,17.19|
BDBM50247757 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:15|
BDBM50247758 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:15|
BDBM50247768 Cc1ccc(cc1)C1CC(=NN1c1nc2ccccc2c(=O)n1C)c1ccccc1 |c:10|
BDBM50247769 COc1ccc(cc1)C1CC(=NN1c1nc2ccccc2c(=O)n1C)c1ccccc1 |c:11|
BDBM50247770 Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:15|
BDBM50245966 Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1 |t:8|
BDBM50245967 Oc1ccccc1C1=NN(C(C1)c1ccco1)C(=S)Nc1ccccc1 |t:8|
BDBM50245968 Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1 |c:10|
BDBM50245969 NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:4|
BDBM50245970 Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10|
BDBM50245813 Oc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=S)Nc1ccccc1 |t:8|
BDBM50245814 Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=S)Nc1ccccc1 |t:8|
BDBM50245815 Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10|
BDBM50245816 Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10|
BDBM50245817 COc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11|
BDBM50246017 Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10|
BDBM50246018 COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1 |c:10|
BDBM50246019 COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1 |c:10|
BDBM50246020 Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1 |c:9|
BDBM50246021 Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1 |c:9|
BDBM50247644 Cc1ccc(cc1)C(=CCc1ccco1)N=Nc1nc2ccccc2c(=O)n1C |w:8.9,16.18|
BDBM50247771 Cn1c(=S)[nH]c2ccccc2c1=O
BDBM50247772 Cn1c(NN)nc2ccccc2c1=O
BDBM50246072 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:12|
BDBM50246073 COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccccc2O)cc1 |c:10|
BDBM50246074 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccc(C)cc1)c1ccccc1O |c:12|
BDBM50246075 COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:12|
BDBM50247645 Cn1c(N=NC(=CCc2ccco2)c2ccc(Cl)cc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247646 COc1ccc(cc1)C(=CCc1ccco1)N=Nc1nc2ccccc2c(=O)n1C |w:9.10,17.19|
BDBM50247647 Cn1c(N=NC(=CCc2ccccc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247670 Cn1c(N=NC(=CCc2ccc(Cl)cc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247671 Cn1c(N=NC(=CCc2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
BDBM50247672 Cc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:6.5,9.9|
BDBM50247673 COc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:7.6,10.10|
BDBM50266028 Clc1ccc(cc1)C1=NCCN1 |t:8|
BDBM50266029 Clc1ccccc1C1=NCCN1 |t:8|
BDBM50266030 Clc1ccc(C2=NCCN2)c(Cl)c1 |t:5|
BDBM50266031 [O-][N+](=O)c1ccc(cc1)C1=NCCN1 |t:10|
BDBM50266032 [O-][N+](=O)c1cccc(c1)C1=NCCN1 |t:10|
BDBM50265991 COc1ccc(cc1OC)C1=NCCN1 |t:11|
BDBM50265992 COc1cc(cc(OC)c1OC)C1=NCCN1 |t:13|
BDBM50265993 O=C(Oc1ccccc1)c1ccc(cc1)C1=NCCN1 |t:17|
BDBM50280981 NCCOCc1cccc(Cl)c1
BDBM50276716 CCCCOc1ccc2cc(CC(C)N)ccc2c1
BDBM50282501 CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1
BDBM50282502 Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
BDBM50282503 Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
BDBM50282504 Cc1c(C)c(=O)oc2cc(OCc3cc(on3)C3CC3)ccc12
BDBM50282505 CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
BDBM50282506 CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
BDBM50282508 Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C(F)(F)F)ccc12
BDBM50282509 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)C#N)ccc12
BDBM50282510 Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
BDBM50282511 Cc1c(C)c(=O)oc2cc(OCc3ccccn3)ccc12
BDBM50282512 Cc1c(C)c(=O)oc2ccc(OS(=O)(=O)c3ccccc3)cc12
BDBM50282513 CCCCCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50282514 Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
BDBM50282515 CC(C)c1ccc(cc1)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50282516 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
BDBM50282517 CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50282519 CC(C)c1noc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1
BDBM50282520 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc12
BDBM50282521 CC(C)c1nc(COc2ccc3c(C)c(C)c(=O)oc3c2)cs1
BDBM50282522 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
BDBM50282523 Cc1c(C)c(=O)oc2cc(OS(C)(=O)=O)ccc12
BDBM50273656 C[C@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
BDBM50273657 C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
BDBM50273658 C[C@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
BDBM50273659 C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
BDBM50273565 C(Nc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273566 CN(Cc1cc2ccccc2[nH]1)c1ccccc1
BDBM50273491 CN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C
BDBM50273528 CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
BDBM50273529 CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C
BDBM50273530 O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273531 CN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
BDBM50273532 Cn1c(cc2ccccc12)C(=O)NCCCc1ccccc1
BDBM50273561 CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
BDBM50273562 O=C(NCCCCc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273563 CN(CCCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
BDBM50273564 CN(CCCCc1ccccc1)C(=O)c1cc2ccccc2n1C
BDBM50273620 CN(CCc1ccccc1)Cc1cc2ccccc2n1C
BDBM50273621 CN(CCCc1ccccc1)Cc1cc2ccccc2[nH]1
BDBM50273622 CN(CCCc1ccccc1)Cc1cc2ccccc2n1C
BDBM50273623 C(CCc1ccccc1)CNCc1cc2ccccc2[nH]1
BDBM50273691 C[C@H](C1CCCCC1)N(C)Cc1cc2ccccc2n1C |r|
BDBM50273692 C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2n1C |r|
BDBM50288969 COc1cc(Br)c2oc(cc2c1)C1CCNCC1
BDBM50273624 CC(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
BDBM50273625 CC(NCc1cc2ccccc2[nH]1)c1ccccc1
BDBM50273660 C[C@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
BDBM50273661 C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
BDBM50276773 CCCOc1ccc(CC(C)N)cc1
BDBM50276774 CCCCOc1ccc(CC(C)N)cc1
BDBM50276775 CC(N)Cc1ccc(OCc2ccccc2)cc1
BDBM50276776 CSc1ccc(CC(C)NCc2ccccc2)cc1
BDBM50276777 CSc1ccc(CC(C)NCc2ccc(O)cc2)cc1
BDBM50276778 COc1ccc(CNC(C)Cc2ccc(SC)cc2)cc1
BDBM50276779 CCCCOc1ccc(CNC(C)Cc2ccc(SC)cc2)cc1
BDBM50276717 CC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1
BDBM50276718 CSc1ccc2cc(CC(C)N)ccc2c1
BDBM50276719 COc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
BDBM50276720 CCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
BDBM50276188 CC(N)Cc1cccc2ccccc12
BDBM50273485 O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273486 CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
BDBM50273487 Cn1c(cc2ccccc12)C(=O)Nc1ccccc1
BDBM50276144 CSc1ccc(CC(C)NCc2ccc(OCc3ccccc3)cc2)cc1
BDBM50276189 CC(N)Cc1ccc2ccccc2c1
BDBM50276190 COc1ccc2cc(CC(C)N)ccc2c1
BDBM50276191 CCOc1ccc2cc(CC(C)N)ccc2c1
BDBM50273488 CN(C(=O)c1cc2ccccc2n1C)c1ccccc1
BDBM50273489 O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273490 CN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
BDBM50276192 CCCOc1ccc2cc(CC(C)N)ccc2c1
BDBM50273527 O=C(NCCc1ccccc1)c1cc2ccccc2[nH]1
BDBM50273590 Cn1c(CNc2ccccc2)cc2ccccc12
BDBM50273591 CN(Cc1cc2ccccc2n1C)c1ccccc1
BDBM50273592 CN(Cc1cc2ccccc2[nH]1)Cc1ccccc1
BDBM50273593 CN(Cc1cc2ccccc2n1C)Cc1ccccc1
BDBM50273594 C(Cc1ccccc1)NCc1cc2ccccc2[nH]1
BDBM50273595 CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
BDBM50282507 CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50304152 NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4|
BDBM50304153 CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5|
BDBM50304154 CCNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:6|
BDBM50305209 ONC(=N)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:5|
BDBM50305212 Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
BDBM50304155 CCCNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:7|
BDBM50304156 S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11|
BDBM50304157 NC(=S)N1N=C2CCCCC2C1c1cccs1 |t:4|
BDBM50305213 Oc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
BDBM50305214 Oc1ccccc1C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
BDBM50305215 Oc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
BDBM50305216 Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
BDBM50305217 Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
BDBM50305218 ONC(=N)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:5|
BDBM50304158 CNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:5|
BDBM50304159 CCNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:6|
BDBM50304160 CCCNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:7|
BDBM50304161 S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1 |t:11|
BDBM50305644 COC(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50307206 O=C(NCCN1CCOCC1)c1cccnc1
BDBM50307207 Clc1ncccc1C(=O)NCCN1CCOCC1
BDBM50307208 Brc1ncccc1C(=O)NCCN1CCOCC1
BDBM50307209 O=C(NCCN1CCOCC1)c1ccc[nH]c1=O
BDBM50307210 Clc1ccncc1C(=O)NCCN1CCOCC1
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
BDBM50307185 Brc1cncc(c1)C(=O)NCCN1CCOCC1
BDBM50307186 Cc1ccc(cn1)C(=O)NCCN1CCOCC1
BDBM50307187 Fc1ccc(cn1)C(=O)NCCN1CCOCC1
BDBM50307188 Clc1ccc(cn1)C(=O)NCCN1CCOCC1
BDBM50307189 O=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1
BDBM50307190 Cc1ccc(C(=O)NCCN2CCOCC2)c(Cl)n1
BDBM50307191 Clc1cc(cnc1Cl)C(=O)NCCN1CCOCC1
BDBM50307192 Clc1cc(c[nH]c1=O)C(=O)NCCN1CCOCC1
BDBM50307193 O=C(NCCCN1CCOCC1)c1cccnc1
BDBM50305210 Oc1ccccc1C1CC(N=N1)c1ccccc1O |c:11|
BDBM50307194 Clc1ncccc1C(=O)NCCCN1CCOCC1
BDBM50307195 Brc1ncccc1C(=O)NCCCN1CCOCC1
BDBM50307196 O=C(NCCCN1CCOCC1)c1ccc[nH]c1=O
BDBM50305211 Oc1ccc(cc1)C1CC(N=N1)c1ccccc1O |c:11|
BDBM50307197 Clc1ccncc1C(=O)NCCCN1CCOCC1
BDBM50307198 Brc1cncc(c1)C(=O)NCCCN1CCOCC1
BDBM50307199 Cc1ccc(cn1)C(=O)NCCCN1CCOCC1
BDBM50307200 Fc1ccc(cn1)C(=O)NCCCN1CCOCC1
BDBM50307201 Clc1ccc(cn1)C(=O)NCCCN1CCOCC1
BDBM50307202 O=C(NCCCN1CCOCC1)c1ccc(=O)[nH]c1
BDBM50307203 Cc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)n1
BDBM50307204 Clc1cc(cnc1Cl)C(=O)NCCCN1CCOCC1
BDBM50307205 Clc1cc(c[nH]c1=O)C(=O)NCCCN1CCOCC1
BDBM50299454 NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299455 CNCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299456 C[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
BDBM50299457 Clc1cccc(COc2ccc3c(CC#N)cc(=O)oc3c2)c1
BDBM50299458 CNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299459 O=c1cc(CC#N)c2ccc(OCc3ccccc3)cc2o1
BDBM50299417 NCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299418 CCCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299419 CCCCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299420 NC(=O)[C@H](CO)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 |r|
BDBM50299421 NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 |r|
BDBM50299422 Clc1cccc(COc2ccc3c(CC(=O)NCc4ccccc4)cc(=O)oc3c2)c1
BDBM50299423 CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299424 Clc1cccc(COc2ccc3c(CNCc4ccccc4)cc(=O)oc3c2)c1
BDBM50299425 CN(C)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299426 CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299428 NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12
BDBM50299429 CN(C)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299430 NC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12
BDBM50299431 NNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299432 C[C@H](NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
BDBM50299433 CN(C)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299434 CC(C(N)=O)c1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299435 NCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299436 NC(=O)Cc1cc(=O)oc2cc(OCc3ccncc3)ccc12
BDBM50299437 NNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299438 CNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299439 CC(C)NCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299440 NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299441 CNCc1cc(=O)oc2cc(OCc3ccc4OCOc4c3)ccc12
BDBM50299442 CC(C(N)=O)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299443 NC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299445 CNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299446 CNCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299447 NC(=O)[C@@H]1CCCN1c1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
BDBM50299448 CCNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
BDBM50299449 CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299450 CN(C)CCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50299451 NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299452 NCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50299453 NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
BDBM50308023 CCCN1CCN(CC1)c1cccc(O)c1
BDBM50308027 CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
BDBM50307362 C(Oc1ccc(cc1)C1CNCCS1)c1ccccc1
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|
BDBM50359390 CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
BDBM50359391 CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50359392 CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50359393 CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
BDBM50359394 CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
BDBM50359395 CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50359396 CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50359397 CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
BDBM50359499 CN[C@@H](C)Cc1ccccc1 |r|
BDBM50359500 CN[C@H](C)Cc1ccccc1 |r|
BDBM50364453 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50364454 COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50364455 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1
BDBM50364456 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50364457 COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50364458 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1
BDBM50364459 Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50364460 COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50364461 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1cccc(NC(=O)c2ccccc2)c1
BDBM50364462 Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50364463 COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50363836 O=c1ccoc2ccc(OCc3ccccc3)cc12
BDBM50361602 Cn1ccc(c1)N1C[C@H](CO)OC1=O |r|
BDBM50361603 CCn1ccc(c1)N1C[C@H](CO)OC1=O |r|
BDBM50361604 OC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
BDBM50361605 COC[C@H]1CN(C(=O)O1)c1ccn(C)c1 |r|
BDBM50361606 CCn1ccc(c1)N1C[C@H](COC)OC1=O |r|
BDBM50361607 COC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
BDBM50361608 Cn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
BDBM50361609 CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
BDBM50361610 C=CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
BDBM50361611 Cn1ccc(c1)N1C[C@H](CN)OC1=O |r|
BDBM50361612 CCn1ccc(c1)N1C[C@H](CN)OC1=O |r|
BDBM50361613 NC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
BDBM50361614 CNC[C@H]1CN(C(=O)O1)c1ccn(C)c1 |r|
BDBM50361615 CCn1ccc(c1)N1C[C@H](CNC)OC1=O |r|
BDBM50361616 CNC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
BDBM50361617 COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1
BDBM50381231 CCOC(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50381232 O=C(C1C=CC(C(\C=C\c2ccc3OCOc3c2)C1C(=O)N1CCCCC1)c1ccc2OCOc2c1)N1CCCCC1 |c:3|
BDBM50381233 O=C(CCCCc1ccc2OCOc2c1)N1CCCCC1
BDBM50381234 CCCNC(=O)CCCCc1ccc2OCOc2c1
BDBM50381235 CCCCNC(=O)CCCCc1ccc2OCOc2c1
BDBM50381236 CCN(CC)C(=O)CCCCc1ccc2OCOc2c1
BDBM50381237 CN1CCN(CC1)C(=O)CCCCc1ccc2OCOc2c1
BDBM50381952 Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N
BDBM50381238 COC(=O)CCCCc1ccc2OCOc2c1
BDBM50381239 CCOC(=O)CCCCc1ccc2OCOc2c1
BDBM50381953 Nc1c2CN(CC#C)CCc2nc2ccccc12
BDBM50381954 Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N
BDBM50381955 CNCc1cc2cc(OCc3ccccc3)ccc2n1C
BDBM50381957 CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
BDBM50381958 CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
BDBM50381959 C#CC[NH2+]Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50381960 CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50381961 CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50381962 Nc1c2CN(CC#C)CCc2nc2nc(Cl)c(cc12)C#N
BDBM50381963 COc1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
BDBM50381964 CN(C)c1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
BDBM50381224 Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1O
BDBM50381225 CCN(CC)C(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50381226 OC(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50381227 CCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50381228 CCCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50367064 CN1C(Cc2ccccc2N=C1C)c1ccccc1 |c:11|
BDBM243404 O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
BDBM50378564 O=c1ccc2ccc(OCc3ccccc3)cc2o1
BDBM50381229 CN1CCN(CC1)C(=O)\C=C\C=C\c1ccc2OCOc2c1
BDBM50381230 CC(=O)Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1OC(C)=O
BDBM50370193 OC[C@H]1CN(C(=O)O1)n1cccc1 |r|
BDBM50367745 CN[C@@H](C)c1ccccc1 |r|
BDBM50367746 CN[C@H](C)c1ccccc1 |r|
BDBM50368737 COc1ccc(cc1)N1CC(CN(C)C)OC1=O
BDBM50368738 COc1ccc(cc1)[C@H]1C[C@@H](CN(C)C)OC1=O |r|
BDBM50368739 CNCC1CN(C(=O)O1)c1ccc(OC)cc1
BDBM50368740 COc1ccc(cc1)N1CC(CN(C)C)CC1=O
BDBM50368741 CNCC1CN(C(=O)C1)c1ccc(OC)cc1
BDBM50368566 COc1ccc(cc1)N1CC(CN)OC1=O
BDBM243408 O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
BDBM50386540 CCCN1CCC(CC1)c1ccccc1
BDBM50386541 CCCN1CCC(CC1)c1ccc(Cl)cc1
BDBM50386542 CCCN1CCC(CC1)c1ccc(cc1)N1CCOCC1
BDBM50386543 CCCN1CCC(CC1)c1ccc(OC)cc1
BDBM50386544 CCCCOc1ccc(cc1)C1CCN(CCC)CC1
BDBM50386545 CCCN1CCC(CC1)c1ccc(cc1)C#N
BDBM50386546 CCCN1CCN(CC1)c1ccc(OC)cc1
BDBM50386547 CCCN1CCN(CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
BDBM50386548 CCCN1CCC(CC1)c1ccc(cc1)C(F)(F)F
BDBM50386549 CCCN1CCC(CC1)c1ccc(cc1)S(C)(=O)=O
BDBM50409078 Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
BDBM50409079 Cc1c(C)c(=O)oc2cc(\C=C\c3ccccc3)ccc12
BDBM50409080 CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
BDBM50409081 Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
BDBM50409082 Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50409084 Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C#N)ccc12
BDBM50409066 O=C1CCc2ccc(OCc3ccccc3)cc2N1
BDBM50409067 O=c1ccc2ccc(COc3ccccc3)cc2o1
BDBM50409073 C(Oc1ccc2CCOc2c1)c1ccccc1
BDBM50409074 O=C1OCc2ccc(OCc3ccccc3)cc12
BDBM50409075 Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
BDBM50409076 Cc1cc(=O)c2cc(OCc3ccccc3)ccc2o1
BDBM50409077 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50409068 COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50409069 Cc1c(C)c(=O)oc2cc(OCc3cccc(N)c3)ccc12
BDBM50409070 Cc1c(C)c(=O)oc2cc(NC(=O)c3ccccc3)ccc12
BDBM50409071 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C(F)(F)F)ccc12
BDBM50409072 Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(O)c3)ccc12
BDBM50401405 CCCN1CCC(CC1)c1ccc2ccccc2c1
BDBM50401406 CCCN1CCC(CC1)c1cccc2ccccc12
BDBM50401407 CCCN1CCC(CC1)N1C(=O)C(=O)c2ccccc12
BDBM50401409 CCCN1CCC(CC1)n1cnc2ccccc12
BDBM50401410 CCCN1CCC(CC1)n1ccc2ccccc12
BDBM50401411 CCCN1CCC(CC1)c1n[nH]c2ccccc12
BDBM50401412 CCCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50401413 CCCN1CCC(CC1)c1coc2ccccc12
BDBM50401408 CCCN1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O
BDBM50401414 CCCN1CCC(CC1)c1csc2ccccc12
BDBM50401415 CCCN1CCC(CC1)c1cn(C)c2ccc(F)cc12
BDBM50401416 CCCN1CCC(CC1)c1cn(C)c2cc(F)ccc12
BDBM50400103 Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
BDBM50400104 Cc1cc(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
BDBM50400105 CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
BDBM50400106 CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
BDBM50400107 Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
BDBM50400108 Cc1cc(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
BDBM50400109 Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
BDBM50400110 Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
BDBM50400111 CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1
BDBM50400112 CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1
BDBM50400113 Cc1c(C)c(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
BDBM50400114 Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
BDBM50400115 Cc1c(C)c(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:21.22|
BDBM50400116 Cc1cc(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:20.21|
BDBM50400117 Cc1c(C)c(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
BDBM50400118 Cc1cc(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
BDBM50400119 Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
BDBM50400120 Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
BDBM50400121 Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
BDBM50400122 Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
BDBM50400123 Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
BDBM50400124 Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
BDBM50400125 CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
BDBM50400126 CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)s1
BDBM50400127 CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
BDBM50400128 CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
BDBM50400129 Cc1c(C)c(=O)oc2cc(OCc3nnc(S)s3)ccc12
BDBM50401403 CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50401404 CCCN1CCC(CC1)c1cc2ccccc2s1
BDBM50400131 Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12
BDBM50400130 Cc1cc(=O)oc2cc(OCc3nnc(S)s3)ccc12
BDBM50400132 Cc1cc(=O)oc2cc(OCc3nnc(S)o3)ccc12
BDBM50400133 Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
BDBM50400134 Cc1cc(=O)oc2cc(OCC(=O)NN)ccc12
BDBM50401417 CCCN1CCC(CC1)c1c[nH]c2cc(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
BDBM50409094 Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
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
BDBM50409098 CC(Oc1ccc2c(C)c(C)c(=O)oc2c1)c1ccccc1
BDBM50409099 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
BDBM50409100 O=c1cc(oc2ccc(OCc3ccccc3)cc12)-c1ccccc1
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
BDBM50409105 Cc1c(C)c(=O)oc2cc(OCc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)ccc12
BDBM50409106 Oc1cc2oc(=O)ccc2cc1OCc1ccccc1
BDBM50409107 Cc1c(C)c(=O)oc2cc(OCc3ccccc3C#N)ccc12
BDBM50409108 Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
BDBM50409109 Cc1c(C)c(=O)oc2cc(OCc3cc(F)cc(F)c3)ccc12
BDBM50409111 Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12
BDBM50409112 Cc1c(C)c(=O)oc2cc(OCCc3ccccc3)ccc12
BDBM50411243 Fc1ccc(cc1)-c1cc([nH]n1)-c1ccc(F)cc1
BDBM50411203 O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
BDBM50412871 CCC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:5|
BDBM50412872 CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:5|
BDBM50412873 CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:5|
BDBM50412874 CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50412875 CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:5|
BDBM50412876 CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:5|
BDBM50412877 CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:5|
BDBM50412878 CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(Cl)cc1 |c:5|
BDBM50412879 CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(Cl)cc1 |c:5|
BDBM50412880 CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:5|
BDBM50412881 CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1 |c:5|
BDBM50412882 CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(F)cc1 |c:5|
BDBM50412883 CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(F)cc1 |c:5|
BDBM50412884 CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(F)cc1 |c:5|
BDBM50412885 CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(C)cc1 |c:5|
BDBM50412886 CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(C)cc1 |c:5|
BDBM50412887 CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(C)cc1 |c:5|
BDBM50412888 CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(C)cc1 |c:5|
BDBM50412889 CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(C)cc1 |c:5|
BDBM50412890 CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(OC)cc1 |c:5|
BDBM50412891 CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OC)cc1 |c:5|
BDBM50412892 CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OC)cc1 |c:5|
BDBM50412893 CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OC)cc1 |c:5|
BDBM50412894 CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(OC)cc1 |c:5|
BDBM50412895 CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:5|
BDBM50427716 NCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427717 CNCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427718 CNC(=O)Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427719 CNC(=O)Cc1coc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50427720 CNC(=O)\C=C1\COc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50427721 CNC(=O)Cc1coc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427722 CCNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427723 CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)CCC(F)(F)F)c2C
BDBM50427724 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)CCC(F)(F)F)ccc12
BDBM50427725 CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccc(OC)cc1)c2C
BDBM50427726 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(OC)cc3)ccc12
BDBM50427727 CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccc(cc1)C#N)c2C
BDBM50427728 CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1cccc(Cl)c1)c2C
BDBM50427729 CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccccc1)c2C
BDBM50427730 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(Cl)s3)ccc12
BDBM50427731 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)ccc12
BDBM50427732 CNC(=O)C=C1COc2cc(OS(=O)(=O)c3ccc(cc3)C(C)=O)ccc12 |w:4.3|
BDBM50427733 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
BDBM50427734 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)C#N)ccc12
BDBM50427735 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
BDBM50427736 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(c3)C#N)ccc12
BDBM50427737 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(F)c3)ccc12
BDBM50427738 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
BDBM50427739 CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccccc3)ccc12
BDBM50422876 Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
BDBM50429353 CCCN1CCN(CC1)c1ccccc1S(C)(=O)=O
BDBM50429354 CCCN1CCC(CC1)c1ccccc1OC
BDBM50429355 CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C1CCCC1
BDBM50429356 CCCN1CCN(CC1)c1cccc(c1)C#N
BDBM50429357 CCCN1CCC(CC1)c1cccc(c1)C(F)(F)F
BDBM50429358 CCCN1CCC(CC1)c1cccc(OC)c1
BDBM50429359 CCCN1CCN(CC1)c1cccc(OC)c1
BDBM50422877 Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
BDBM50422878 Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
BDBM50422880 Cc1c(C)c(=O)oc2cc(ccc12)S(=O)(=O)Cc1ccccc1
BDBM50422881 Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
BDBM50422882 Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
BDBM50422883 Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
BDBM50422872 Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
BDBM50422873 O=C(OCc1ccc2ccc(=O)oc2c1)c1ccccc1
BDBM50422874 Cc1c(C)c(=O)oc2cc(OC[C@H](O)c3ccccc3)ccc12
BDBM50422875 CN(c1ccc2c(C)c(C)c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
BDBM50018671 Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
BDBM50018674 Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
BDBM50018675 Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12
BDBM50018676 Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12
BDBM50075962 OC(=O)C([O-])=O.COc1cccc(c1)C(=C)C[NH+](C)CC#C
BDBM50046851 COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
BDBM50046853 COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
BDBM50046854 COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
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
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
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
BDBM50045442 CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
BDBM50038035 NC(=O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50073510 Clc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50038033 ClCC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50038034 NC(=O)CNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50038036 OCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
BDBM50078675 [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1
BDBM50078676 [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
BDBM50078677 N\N=C\c1ccc(Cl)cc1
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
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
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
BDBM50075971 OC(=O)C([O-])=O.COc1cccc(COc2cccc(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
BDBM50075997 OC(=O)C([O-])=O.C[NH+](CCCC(=C)c1ccccc1)CC#C
BDBM50075999 OC(=O)C([O-])=O.CC[NH+](CC#C)CC(=C)c1ccccc1
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
BDBM50076000 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccco1
BDBM50076004 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(Br)c1
BDBM50076006 Cl.CN(CC#C)CC(=C)c1ccccc1F
BDBM50076008 Cl.COc1ccccc1C(=C)CN(C)CC#C
BDBM50076018 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(OCc2ccccc2)cc1
BDBM50076021 OC(=O)C([O-])=O.C[NH+](CC#C)C\C(=C\F)c1ccccc1
BDBM50076118 Cl.CN(CC=C)CC(=C)c1ccccc1
BDBM50076119 CC(NCC#C)C(=C)c1ccccc1
BDBM50076121 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccsc1
BDBM50076122 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccncc1
BDBM50046944 Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM50076123 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccnc1
BDBM50076124 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccccn1
BDBM50073512 Oc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50073513 Brc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50073514 Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073527 Clc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073528 Brc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073530 CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073531 O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
BDBM50073532 CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)NNC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073533 O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C\c1ccccc1
BDBM50073535 COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073536 Clc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073537 Brc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073538 [O-][N+](=O)c1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073539 C\C(=N/NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)c1ccc(O)cc1
BDBM50073540 O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C1\C(=O)Nc2ccccc12
BDBM50073542 CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073543 CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50078678 N\N=C\c1ccc(cc1)[N+]([O-])=O
BDBM50078679 CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
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
BDBM50075998 OC(=O)C([O-])=O.CC(C#C)[NH+](C)CC(=C)c1ccccc1
BDBM50073508 CC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50073509 O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
BDBM50073511 COc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
BDBM50073529 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
BDBM50073534 Oc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
BDBM50073541 CC(C)CC(NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)C(=O)OC(C)(C)C
BDBM50088559 COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088557 COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088561 COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r|
BDBM50088563 COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r|
BDBM50075956 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1
BDBM50076120 OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1nccs1
BDBM203830 COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
BDBM203831 COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
BDBM203832 COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
BDBM203833 COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
BDBM203834 COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
BDBM203835 COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
BDBM203836 COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
BDBM203837 COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
BDBM203838 COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
BDBM203839 COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
BDBM203840 COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
BDBM203841 COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
BDBM203842 COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
BDBM203843 COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
BDBM203844 COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
BDBM203845 COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
BDBM203846 COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
BDBM203847 COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
BDBM203848 COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
BDBM203849 COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
BDBM203850 COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
BDBM203851 COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
BDBM203852 COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
BDBM203853 COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
BDBM203854 COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
BDBM203855 COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
BDBM203856 COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
BDBM203857 COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
BDBM203858 COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
BDBM203859 COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
BDBM203860 COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
BDBM50130934 Clc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50130935 Brc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
BDBM50130936 Brc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
BDBM50093235 Cl.O=c1ccc2ccc(OCc3ccc(CCNCc4ccccc4)cc3)cc2o1
BDBM50093237 Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093236 CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093241 CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093242 Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
BDBM50093245 Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50093246 CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
BDBM50093084 Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
BDBM50093085 CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM203828 COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
BDBM203829 COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
BDBM50093239 Cl.CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
BDBM50088554 COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC |r|
BDBM50088555 COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O |r|
BDBM50088556 CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088558 COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088560 COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088562 COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
BDBM50088564 COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C |r|
BDBM50088565 COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r|
BDBM50088566 COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
BDBM50153589 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
BDBM50088567 COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
BDBM50088568 COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
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|
BDBM50153588 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
BDBM50153593 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM65039 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
BDBM256661 Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
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|
BDBM50153587 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |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
BDBM256657 FC1(F)CCC(CC1)NC(=O)c1ccc(s1)C1CC1NCC1CC1
BDBM256658 Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
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
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
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|
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
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
BDBM50218604 CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1 |c:4|
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|
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|
BDBM50224948 NCC(=C=C)c1ccccc1
BDBM50224950 NCC(Cc1ccc(Cl)cc1)=C=C
BDBM50224951 CC(Cc1ccccc1)N(C)CC=C=C
BDBM50224952 CN(CCCOc1ccc(Cl)cc1Cl)CC=C=C
BDBM50224953 CNCC(Cc1ccccc1)=C=C
BDBM50224966 CN(CC=C=C)C1CCc2ccccc12
BDBM50224967 C=C=CCNCc1ccccc1
BDBM50224968 CN(C)CC(Cc1ccccc1)=C=C
BDBM50224969 CC=C=CCN(C)Cc1ccccc1 |(19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
BDBM50224970 CN(CC=C=C)Cc1ccccc1
BDBM50224971 COc1ccc(CC(CN)=C=C)cc1
BDBM50225454 NCC=C
BDBM50225461 Cl.NC\C(=C\Br)c1ccccc1
BDBM50225464 Cl.NC\C(=C/F)c1ccccc1
BDBM50225466 Cl.NC\C(=C\F)c1cccc(c1)C(F)(F)F
BDBM50227521 CC=C=CCN(C)C[C@@H](C)c1ccccc1 |r,w:1.0,wU:8.8,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,1.84,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
BDBM50225451 Cl.[#7]-[#6]\[#6](=[#6](\F)F)-c1ccccc1
BDBM267325 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1ccn(C)c1 |r|
BDBM50225453 Cl.NC\C(=C\F)c1ccc(Cl)cc1
BDBM50225455 Cl.Cc1ccc(cc1)C(\CN)=C/F
BDBM50225456 Cl.NC\C(=C\F)c1ccccc1
BDBM50225459 Cl.NC\C(=C\Cl)c1ccccc1
BDBM50225460 Cl.NC\C(=C/Cl)c1ccccc1
BDBM50225449 Cl.COc1ccc(cc1)C(\CN)=C/F
BDBM50225462 Cl.COc1cccc(c1)C(\CN)=C/F
BDBM50225463 Cl.NC\C(=C\F)c1cccc(O)c1
BDBM50225465 Cl.[#7]-[#6]\[#6](=[#6](\Br)Br)-c1ccccc1