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360 SMILES Strings for Acyl Cholesterol Acyltransferase 1 (ACAT-1)

Compound NameSMILES String
BDBM8903 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
BDBM22231 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
BDBM23028 CCCCCCCC\C=C/CCCCCCCC(N)=O
BDBM27947 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)|
BDBM27949 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O |c:12|
BDBM27950 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12|
BDBM27951 CC(C(O)=O)C12CCC(CC1)(CC2)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |t:22|
BDBM27952 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CCC2 |c:12,(7.57,-6.87,;8.39,-5.6,;6.94,-5.51,;7.75,-4.15,;8.66,-2.98,;7.93,-1.62,;8.84,-.35,;10.38,-.44,;11.01,-1.8,;12.55,-1.98,;10.11,-3.07,;10.83,-4.42,;9.93,-5.69,;10.56,-7.05,;12.1,-7.23,;12.83,-8.59,;11.92,-9.86,;10.38,-9.77,;9.75,-8.32,;12.64,-11.22,;13.82,-12.03,;14.09,-13.39,;13.37,-14.66,;13.37,-16.2,;14.73,-16.93,;16,-16.2,;14.73,-18.47,;12.01,-13.94,;11.65,-12.49,;14.82,-13.94,;15.18,-12.4,;14.18,-11.22,)|
BDBM27953 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2 |c:12,TLB:30:21:32:31.25.24,30:25:32:20.21.22,26:25:20:32.22.23,THB:24:25:20:32.22.23,24:23:20:31.30.25|
BDBM27954 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(C3)(C1)C(O)=O)C2 |c:12,TLB:26:21:31:27.25.24,26:25:31:20.21.22,28:25:20:31.22.23,THB:24:25:20:31.22.23,24:23:20:27.26.25|
BDBM50003815 CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F |r,wU:20.22,wD:23.26,c:12,(27.23,-21.22,;25.69,-21.22,;26.46,-22.55,;24.36,-22,;23.03,-21.23,;21.69,-22.01,;20.36,-21.24,;20.36,-19.69,;21.69,-18.92,;21.68,-17.38,;23.02,-19.69,;24.35,-18.91,;25.69,-19.67,;27.02,-18.9,;27,-17.37,;28.32,-16.58,;29.67,-17.35,;29.68,-18.88,;31.15,-19.35,;32.04,-18.1,;31.12,-16.86,;30.02,-15.78,;30.42,-14.29,;31.91,-13.88,;32.3,-12.39,;33.79,-11.99,;34.89,-13.08,;34.19,-10.5,;33,-14.97,;32.61,-16.45,;28.35,-19.66,;19.02,-22.01,;17.69,-21.24,;19.02,-23.55,;17.68,-22.77,)|
BDBM50005944 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
BDBM50022279 CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
BDBM50028866 Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1
BDBM50028867 COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)C(=O)N1c1ccc(OC)cc1
BDBM50028868 Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
BDBM50028877 COc1ccc(cc1)N1[C@H](c2ccccc2)[C@@](C(=O)Cc2ccccc2)(C1=O)c1ccccc1
BDBM50028880 CC[C@]1(CCCc2ccccc2)[C@H](N(C1=O)c1c(OC)cc(OC)cc1OC)c1ccccc1
BDBM50028888 COc1ccc(cc1)N1[C@H](c2ccccc2)[C@@](CCCc2ccccc2)(C1=O)c1ccccc1
BDBM50033710 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033725 [#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:6.6|
BDBM50033728 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033731 CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
BDBM50033733 [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
BDBM50033739 [#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
BDBM50033741 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50051904 CC1(CCCCN2CCSCC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.94,;12.81,-13.17,;13.21,-11.69,;12.13,-10.59,;12.54,-9.11,;11.46,-8.01,;11.88,-6.52,;10.79,-5.44,;11.21,-3.94,;12.7,-3.55,;13.77,-4.67,;13.35,-6.14,;11.53,-13.59,;9.9,-12.97,;9.15,-14.33,;10.32,-13.91,;12.05,-14.51,;7.8,-13.54,;7.4,-12.05,;5.86,-11.98,;5.3,-13.42,;6.51,-14.4,;3.81,-13.82,;3.43,-15.31,;1.94,-15.71,;.85,-14.64,;1.24,-13.14,;2.73,-12.74,;5,-10.69,;5.7,-9.32,;4.86,-8.03,;3.32,-8.1,;2.64,-9.5,;3.48,-10.78,)|
BDBM50051906 CC1(CCCCN2CCOCC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(13.18,-17.69,;11.85,-16.92,;12.61,-15.57,;11.51,-14.47,;12.27,-13.14,;11.49,-11.81,;12.26,-10.46,;11.46,-9.13,;12.23,-7.8,;13.79,-7.79,;14.56,-9.13,;13.8,-10.46,;11.09,-18.25,;9.36,-17.65,;8.19,-18.07,;8.94,-16.71,;10.58,-17.34,;6.84,-17.3,;6.44,-15.8,;4.9,-15.73,;4.35,-17.17,;5.55,-18.14,;2.85,-17.58,;2.47,-19.06,;.99,-19.47,;-.11,-18.39,;.29,-16.89,;1.77,-16.48,;4.04,-14.44,;4.74,-13.07,;3.9,-11.78,;2.36,-11.86,;1.68,-13.24,;2.52,-14.52,)|
BDBM50051907 CC1(CCCCn2ncc3ccccc23)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(12.4,-15.54,;11.64,-14.21,;12.85,-13.26,;14.28,-13.77,;15.47,-12.79,;16.9,-13.33,;18.23,-12.56,;19.65,-13.16,;20.67,-12,;19.86,-10.67,;20.33,-9.22,;19.28,-8.08,;17.8,-8.41,;17.33,-9.89,;18.37,-11.01,;10.88,-15.55,;9.17,-14.94,;7.98,-15.36,;8.75,-14.01,;10.38,-14.63,;6.63,-14.59,;6.24,-13.1,;4.7,-13.03,;4.14,-14.46,;5.35,-15.43,;2.66,-14.87,;2.27,-16.35,;.79,-16.76,;-.32,-15.68,;.08,-14.18,;1.57,-13.77,;3.85,-11.73,;4.55,-10.36,;3.71,-9.07,;2.17,-9.15,;1.48,-10.53,;2.32,-11.81,)|
BDBM50051908 CC1(CCCCN2CCN(CC2)c2ncccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;12.04,-.89,;12.42,.6,;13.91,1.02,;14.99,-.05,;14.61,-1.55,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
BDBM50051880 CC1(CCCCn2cc(cn2)-c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(11.58,-14.76,;10.83,-13.43,;12.04,-12.47,;13.47,-12.98,;14.66,-12.02,;16.09,-12.56,;17.43,-11.77,;17.75,-10.27,;19.29,-10.11,;19.91,-11.51,;18.76,-12.54,;20.06,-8.78,;21.6,-8.78,;22.38,-7.44,;21.61,-6.11,;20.06,-6.11,;19.29,-7.44,;10.06,-14.78,;8.35,-14.17,;7.15,-14.59,;7.93,-13.23,;9.56,-13.85,;5.81,-13.8,;5.41,-12.31,;3.87,-12.24,;3.3,-13.69,;4.52,-14.66,;1.82,-14.08,;.73,-13,;-.76,-13.41,;-1.16,-14.9,;-.05,-15.98,;1.43,-15.58,;3.02,-10.95,;1.48,-11.04,;.64,-9.75,;1.33,-8.36,;2.88,-8.29,;3.72,-9.57,)|
BDBM50051881 Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)|
BDBM50051883 Cc1cc(C)n(CCCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(10.96,-4.93,;10.8,-6.47,;9.47,-7.23,;9.8,-8.75,;8.77,-9.89,;11.34,-8.91,;12.12,-10.26,;11.03,-11.35,;11.8,-12.69,;11.05,-14.02,;11.83,-15.36,;11.84,-16.9,;13.17,-17.67,;11.08,-18.24,;9.36,-17.63,;8.18,-18.05,;8.94,-16.7,;10.57,-17.32,;6.84,-17.28,;6.43,-15.79,;4.9,-15.72,;4.34,-17.16,;5.55,-18.12,;2.85,-17.56,;1.77,-16.47,;.29,-16.88,;-.11,-18.37,;.99,-19.45,;2.47,-19.05,;4.04,-14.43,;4.74,-13.06,;3.9,-11.77,;2.36,-11.85,;1.68,-13.23,;2.52,-14.51,;11.96,-7.49,)|
BDBM50051884 Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
BDBM50051885 CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)Cc1ccccc1 |(13.79,-10.45,;12.25,-10.45,;11.48,-11.8,;12.26,-13.13,;11.5,-14.46,;12.6,-15.56,;11.84,-16.9,;13.17,-17.67,;10.57,-17.32,;8.94,-16.7,;8.18,-18.05,;9.36,-17.63,;11.08,-18.24,;6.84,-17.29,;6.44,-15.79,;4.9,-15.72,;4.34,-17.16,;5.55,-18.12,;2.85,-17.56,;2.47,-19.05,;.99,-19.45,;-.11,-18.37,;.29,-16.88,;1.77,-16.47,;4.04,-14.43,;4.74,-13.06,;3.9,-11.77,;2.36,-11.85,;1.68,-13.23,;2.52,-14.51,;11.46,-9.12,;12.23,-7.8,;11.46,-6.47,;12.23,-5.13,;13.76,-5.11,;14.55,-6.46,;13.78,-7.8,)|
BDBM50051888 CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1 |(11.88,.67,;10.34,.67,;9.95,-.82,;10.74,-2.15,;9.97,-3.48,;10.69,-4.74,;9.55,-5.82,;10.65,-6.89,;8.8,-7.15,;7.08,-6.54,;5.89,-6.96,;6.66,-5.61,;8.29,-6.24,;4.56,-6.19,;4.14,-4.7,;2.62,-4.63,;2.06,-6.05,;3.27,-7.03,;.57,-6.47,;-.51,-5.37,;-2,-5.77,;-2.4,-7.26,;-1.3,-8.36,;.19,-7.94,;1.76,-3.32,;2.46,-1.94,;1.62,-.66,;.08,-.75,;-.6,-2.13,;.24,-3.41,;10.34,2.21,;8.99,2.98,;8.97,4.5,;10.3,5.29,;11.65,4.54,;11.67,3,)|
BDBM50051890 CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(11.65,-14.64,;10.9,-13.31,;12.1,-12.35,;13.52,-12.87,;14.71,-11.9,;16.16,-12.44,;17.36,-11.46,;17.35,-9.92,;18.69,-9.15,;20.02,-9.92,;21.33,-9.17,;22.66,-9.95,;22.66,-11.46,;21.32,-12.23,;20,-11.46,;18.69,-12.24,;9.62,-13.73,;7.98,-13.12,;7.22,-14.47,;8.4,-14.05,;10.13,-14.66,;5.88,-13.69,;5.47,-12.19,;3.93,-12.12,;3.37,-13.57,;4.57,-14.54,;1.88,-13.97,;.8,-12.88,;-.69,-13.29,;-1.09,-14.79,;.01,-15.86,;1.5,-15.46,;3.07,-10.83,;3.77,-9.45,;2.93,-8.17,;1.39,-8.24,;.7,-9.63,;1.54,-10.92,)|
BDBM50051891 CC1(CCCCN2CCN(CC2)c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.62,-13.02,;9.29,-12.25,;10.04,-10.9,;8.94,-9.81,;9.71,-8.48,;8.61,-7.37,;8.99,-5.88,;10.48,-5.51,;10.92,-4.04,;9.85,-2.92,;8.36,-3.3,;7.92,-4.77,;10.27,-1.45,;11.77,-1.08,;12.21,.4,;11.14,1.51,;9.64,1.14,;9.22,-.33,;8.01,-12.67,;6.38,-12.05,;5.62,-13.4,;6.8,-12.98,;8.52,-13.59,;4.28,-12.63,;3.86,-11.14,;2.33,-11.07,;1.78,-12.51,;2.99,-13.47,;.29,-12.91,;-.79,-11.81,;-2.28,-12.23,;-2.68,-13.72,;-1.58,-14.8,;-.09,-14.4,;1.48,-9.78,;2.18,-8.4,;1.34,-7.12,;-.2,-7.19,;-.89,-8.57,;-.05,-9.85,)|
BDBM50051892 CC1(CCCCN2CCN(CC2)c2ccccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(17.65,-18.36,;16.32,-17.59,;16.29,-16.04,;14.99,-15.24,;15.03,-13.7,;13.72,-12.89,;13.75,-11.35,;12.44,-10.55,;12.49,-9.01,;13.84,-8.28,;15.17,-9.08,;15.12,-10.62,;13.91,-6.73,;12.58,-5.95,;12.61,-4.42,;13.95,-3.67,;15.27,-4.46,;15.24,-5.98,;15.05,-18.01,;13.42,-17.39,;12.65,-18.74,;13.84,-18.32,;15.55,-18.93,;11.3,-17.97,;10.9,-16.47,;9.36,-16.4,;8.8,-17.83,;10.02,-18.81,;7.33,-18.25,;6.24,-17.16,;4.74,-17.55,;4.35,-19.05,;5.46,-20.14,;6.94,-19.72,;8.52,-15.1,;9.22,-13.73,;8.38,-12.44,;6.84,-12.53,;6.14,-13.91,;6.98,-15.2,)|
BDBM50051893 CC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
BDBM50051894 COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1 |(14.57,1.37,;13.09,.98,;12.67,-.5,;11.19,-.89,;10.78,-2.39,;11.87,-3.46,;13.36,-3.08,;13.76,-1.59,;11.47,-4.95,;9.98,-5.35,;9.57,-6.84,;10.66,-7.94,;10.27,-9.43,;11.05,-10.76,;10.29,-12.1,;11,-13.36,;9.87,-14.42,;10.97,-15.5,;9.12,-15.76,;7.4,-15.14,;6.21,-15.56,;6.98,-14.21,;8.61,-14.84,;4.88,-14.79,;4.48,-13.3,;2.94,-13.23,;2.39,-14.67,;3.59,-15.63,;.89,-15.07,;-.19,-13.97,;-1.67,-14.39,;-2.07,-15.88,;-.97,-16.96,;.51,-16.55,;2.08,-11.94,;2.78,-10.56,;1.94,-9.28,;.4,-9.36,;-.28,-10.73,;.56,-12.01,;12.15,-7.53,;12.55,-6.05,)|
BDBM50051896 CC1(CCCCOCc2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(12.39,-15.53,;11.64,-14.2,;12.85,-13.25,;14.27,-13.77,;15.46,-12.79,;16.89,-13.32,;17.99,-12.23,;19.47,-12.62,;20.55,-11.53,;20.15,-10.05,;21.23,-8.95,;22.74,-9.34,;23.14,-10.83,;22.05,-11.92,;10.38,-14.62,;8.74,-14,;7.98,-15.35,;9.16,-14.93,;10.88,-15.54,;6.63,-14.58,;6.23,-13.09,;4.7,-13.02,;4.14,-14.46,;5.35,-15.42,;2.66,-14.86,;2.27,-16.35,;.79,-16.75,;-.32,-15.67,;.08,-14.18,;1.57,-13.77,;3.85,-11.73,;4.55,-10.35,;3.71,-9.07,;2.17,-9.15,;1.48,-10.53,;2.32,-11.81,)|
BDBM50051897 CCC1(CC)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
BDBM50051898 CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;11.98,-.93,;12.58,.48,;14.12,.33,;14.45,-1.17,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
BDBM50051899 CC1(CCCCN2CCN(Cc3ccccc3)CC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;10.79,-5.32,;11.21,-3.83,;12.7,-3.44,;13.12,-1.96,;14.61,-1.57,;15.01,-.1,;16.5,.3,;17.58,-.82,;17.17,-2.29,;15.68,-2.68,;13.77,-4.55,;13.35,-6.03,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
BDBM50051901 Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
BDBM50069900 CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C
BDBM50079715 CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
BDBM50079716 C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
BDBM50089616 COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r,c:26|
BDBM50089619 COc1ccc(cc1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |c:24|
BDBM50089627 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
BDBM50106676 CCCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
BDBM50106685 CCCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
BDBM50106693 CCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
BDBM50147176 COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1
BDBM50147177 COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc3OCOc3c2)c(OC)c1
BDBM50147178 CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
BDBM50147179 COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(O[C@H](C)Cc2ccc3OCOc3c2)cc1
BDBM50150482 CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|
BDBM50150483 CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
BDBM50150484 CCCCCCCC\C=C/CCCCCCCC(O)=O
BDBM50151701 Oc1ccc(CCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1O
BDBM50158061 CCCCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50158062 CCCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50158063 COC(Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)C(OC)c1ccc2OCOc2c1
BDBM50158056 CCCCCCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50158057 CCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50158058 CCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50158059 COC(Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)C(O)c1ccc2OCOc2c1
BDBM50158060 CCCCCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
BDBM50175765 CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
BDBM50175012 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(c(-[#8])c2c1oc1cc(-[#8])c(-[#8])cc1c2=O)C([#6])([#6])[#6]=[#6]
BDBM50175013 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]
BDBM50175014 COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(C)(C)C=C
BDBM50175015 CC(C)(C=C)c1c(O)cc(O)c2c1oc1c3C=CC(C)(C)Oc3c(O)cc1c2=O |c:17|
BDBM50175017 [#6]-[#8]-c1c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]
BDBM50175018 [#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6]
BDBM50175019 [#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6]
BDBM50177893 CCCCCCCN(CCCCCNc1cc(cnn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
BDBM50177891 CCCCCCCN(CCCCCNc1ccc(nn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
BDBM50177892 CCCCCCCN(CCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
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|
BDBM50193720 CC(C)(O)CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc2C=CC(C)(C)Oc2cc1O |c:24|
BDBM50193722 [#6]\[#6](-[#6])=[#6]/C([#6])([#6])c1c(-[#6])cc(-[#8])c2c1oc1cc(-[#8])c(-[#8])cc1c2=O
BDBM50200395 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]C([#6])([#6])[#8])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50200396 [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
BDBM50208612 [#6]-[#8]-c1cc(-[#8])c(-[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1-[#8] |r|
BDBM50232478 O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36|
BDBM50263150 CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
BDBM50263192 CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C
BDBM50263193 CCCCCCCCN1CC(CCC(O)=O)c2c1c(NC(=O)C(C)(C)C)c(C)cc2C
BDBM50263194 Cc1cc(C)c(NC(=O)C(C)(C)C)c2N(CCCCCCCCCC(O)=O)CCc12
BDBM50263195 CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)CCC(O)=O)c(C)cc2C
BDBM50263196 CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CN)c2C
BDBM50263241 CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(Cc1nnn[nH]1)c2C
BDBM50284873 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(O)cc1
BDBM50284874 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccccc1
BDBM50284875 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(OP(O)(O)=O)cc1
BDBM50276481 COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(C)CC1
BDBM50276482 CCCN1CCC(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
BDBM50276483 COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(CC1)c1ccccc1
BDBM50276484 COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
BDBM50276485 COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1
BDBM50276486 COc1cccc(c1)C1(CNC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
BDBM50276487 COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
BDBM50276488 COc1cccc(c1)N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
BDBM50276489 COc1ccc(cc1)N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
BDBM50276491 COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1ccccc1
BDBM50276492 COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(F)c1
BDBM50276493 COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(c1)C(F)(F)F
BDBM50276494 COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1ccccc1OC
BDBM50276562 CCCCOc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
BDBM50276563 COc1ccc(cc1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
BDBM50276564 COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC(F)(F)F
BDBM50276443 COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCNCC1
BDBM50276565 COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OCC(F)(F)F
BDBM50328341 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328342 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(OC)cc1)N1CCOCC1)-c1ccccc1
BDBM50328343 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(OCc2ccccc2)cc1)N1CCOCC1)-c1ccccc1
BDBM50328344 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(Cl)cc1)N1CCOCC1)-c1ccccc1
BDBM50328345 CCOC(=O)c1c(CC=C)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328346 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccccc1)N1CCOCC1)-c1ccccc1
BDBM50328347 CCOC(=O)c1c(CCC(F)(F)F)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328348 CCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328349 CCCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328350 CCOC(=O)c1c(CC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328351 CCOC(=O)c1c(COC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328352 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(cc1)-c1ccccc1)N1CCOCC1)-c1ccccc1
BDBM50328353 CCOC(=O)c1c(CCCOC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328354 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1cccc(Cl)c1)N1CCOCC1)-c1ccccc1
BDBM50328355 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1cccc(OC)c1)N1CCOCC1)-c1ccccc1
BDBM50328356 CCOC(=O)c1c(C)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328357 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(O)cc1)N1CCOCC1)-c1ccccc1
BDBM50328358 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1C1CC1)N1CCOCC1)-c1ccccc1
BDBM50328359 CCOC(=O)c1c(C(=O)OCC)c2c(cc(nn2c1-c1ccc(N)cc1)N1CCOCC1)-c1ccccc1
BDBM50328365 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCC1)-c1ccccc1
BDBM50328366 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCCC1)-c1ccccc1
BDBM50328368 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N(C)C)-c1ccccc1
BDBM50328369 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1F
BDBM50328370 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1cccc(F)c1
BDBM50328371 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccc(F)cc1
BDBM50328377 CCCc1c(-c2nc(no2)C(C)(C)C)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328378 CCCc1c(-c2nc(no2)C2CCCC2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328379 CCCc1c(-c2nc(no2)C2CCCCC2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328380 CCCc1c(-c2nc(no2)C(C)C)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328381 CCCc1noc(n1)-c1c(CCC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328382 CCCCc1noc(n1)-c1c(CCC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328383 CCCc1c(-c2nc(Cc3ccccc3)no2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328384 CCCc1c(-c2nc(no2)N2CCCC2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328385 CCCc1c(-c2nc(CC)no2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328386 CCCCCc1noc(n1)-c1c(CCC)n2nc(cc(-c3ccccc3)c2c1C(=O)OCC)N1CCOCC1
BDBM50328387 CCCc1c(-c2nc(no2)N(C)C)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328388 CCCc1c(-c2nc(no2)-c2ccccc2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
BDBM50328389 CCOC(=O)c1c(c(CCO)n2nc(cc(-c3ccccc3)c12)N1CCOCC1)-c1nc(CCO)no1
BDBM50328391 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(nc(nn12)N1CCOCC1)-c1ccccc1
BDBM50341782 OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)|
BDBM50360304 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r|
BDBM50360305 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
BDBM50360306 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
BDBM50360307 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
BDBM50360308 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
BDBM50360309 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@H](C2CCCCC2)C(=O)O1 |r|
BDBM50360310 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C2=N[C@H](CO2)C(=O)N[C@H](C2CCCCC2)C(=O)O1 |r,t:27|
BDBM50360311 CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](Cn2cc(CNC(=O)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)C(=O)N[C@H](C2CCCCC2)C(=O)O1 |r|
BDBM50371698 CCCCCCCC(=O)Nc1ccccc1-c1ccccc1
BDBM50371699 CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1
BDBM50370396 CCCCCCCCCC[C@@H]1[C@H](N(C1=O)c1ccc(OC)cc1)c1ccccc1
BDBM50370407 CC[C@@]1(CCCc2ccccc2)[C@H](N(C1=O)c1ccc(OC)cc1)c1ccccc1
BDBM50370409 COc1ccc(cc1)N1[C@@H]([C@@H](CCCc2ccccc2)C1=O)c1ccccc1
BDBM50370410 CC[C@]1([C@H](N(C1=O)c1ccc(OC)cc1)c1ccccc1)c1ccccc1
BDBM50397448 CC(CNCc1ccc(O)c2ccccc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:21|
BDBM50397449 CC(CNCc1ccc(O)c(F)c1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17|
BDBM50397450 CC(CNCc1ccc(CO)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17|
BDBM50397451 CC(CNCc1ccc(O)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:16|
BDBM50397452 CC(Cn1cnc(N)c2ncnc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:18|
BDBM50009441 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)|
BDBM50399681 Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wD:18.18,21.23,(18.55,-22.65,;19.88,-21.88,;21.22,-22.65,;22.55,-21.88,;23.89,-22.64,;22.55,-20.34,;21.22,-19.57,;19.88,-20.34,;18.55,-19.56,;17.22,-20.33,;18.55,-18.02,;23.88,-19.57,;23.88,-18.03,;25.21,-17.26,;26.55,-18.02,;26.56,-19.56,;28.03,-20.03,;28.93,-18.78,;28.01,-17.53,;26.91,-16.45,;27.31,-14.96,;28.79,-14.56,;29.19,-13.07,;30.68,-12.67,;31.77,-13.75,;31.07,-11.18,;29.88,-15.65,;29.49,-17.13,;25.21,-20.34,)|
BDBM50399688 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:17.18,wD:20.22,(23.91,-49.49,;25.24,-48.72,;26.58,-49.49,;27.91,-48.72,;29.24,-49.48,;27.91,-47.18,;26.57,-46.41,;25.24,-47.17,;23.91,-46.4,;22.57,-47.17,;23.91,-44.86,;29.24,-46.41,;30.57,-47.18,;31.91,-46.41,;31.9,-44.86,;30.57,-44.1,;29.24,-44.87,;33.24,-44.09,;33.23,-42.55,;34.57,-41.78,;35.9,-42.55,;37.24,-41.78,;38.57,-42.55,;38.73,-44.08,;40.24,-44.4,;41.01,-43.07,;39.98,-41.92,;35.9,-44.09,;34.57,-44.86,)|
BDBM50399693 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:17.18,wD:20.22,(3.49,-36.66,;4.82,-35.89,;6.16,-36.66,;7.49,-35.89,;8.83,-36.66,;7.49,-34.35,;6.16,-33.58,;4.82,-34.35,;3.49,-33.58,;2.16,-34.34,;3.49,-32.04,;8.82,-33.59,;10.16,-34.36,;11.49,-33.58,;11.49,-32.03,;10.15,-31.27,;8.82,-32.04,;12.82,-31.26,;12.81,-29.73,;14.15,-28.95,;15.49,-29.72,;16.82,-28.95,;18.15,-29.72,;19.49,-28.95,;18.15,-31.26,;15.48,-31.26,;14.16,-32.03,)|
BDBM50399695 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1 |r,wU:17.18,wD:20.22,(37.77,-23.43,;39.1,-22.65,;40.44,-23.43,;41.77,-22.65,;43.1,-23.42,;41.77,-21.12,;40.43,-20.35,;39.1,-21.11,;37.77,-20.34,;36.43,-21.11,;37.77,-18.8,;43.1,-20.35,;44.43,-21.12,;45.77,-20.35,;45.76,-18.8,;44.43,-18.04,;43.1,-18.81,;47.1,-18.03,;47.09,-16.49,;48.43,-15.72,;49.76,-16.49,;51.1,-15.72,;52.43,-16.49,;53.76,-15.72,;49.76,-18.03,;48.43,-18.8,)|
BDBM50399707 Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=S |r,wU:13.14,wD:16.18,(45.97,-43.39,;44.63,-42.63,;43.3,-43.4,;41.96,-42.63,;41.96,-41.09,;43.3,-40.32,;44.63,-41.09,;45.96,-40.32,;47.3,-41.09,;48.63,-40.32,;48.63,-38.77,;47.29,-38.01,;45.96,-38.78,;49.96,-38,;49.95,-36.46,;51.29,-35.69,;52.63,-36.46,;53.96,-35.69,;55.29,-36.46,;56.63,-35.69,;55.29,-38,;52.62,-38,;51.3,-38.77,;40.63,-40.31,;39.3,-41.08,;40.63,-38.77,)|
BDBM50399710 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
BDBM50399711 NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:15.16,wD:18.20,(41.53,-9,;42.87,-8.23,;42.87,-6.69,;44.2,-9,;44.2,-10.54,;45.54,-11.32,;46.87,-10.54,;46.87,-9.01,;45.53,-8.24,;48.2,-8.24,;49.53,-9.01,;50.87,-8.24,;50.86,-6.69,;49.53,-5.93,;48.2,-6.7,;52.2,-5.92,;52.19,-4.38,;53.53,-3.61,;54.86,-4.38,;56.2,-3.61,;57.53,-4.38,;58.86,-3.61,;57.53,-5.92,;54.86,-5.92,;53.53,-6.69,)|
BDBM50399712 Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:13.14,wD:16.18,(28.53,-10.23,;27.19,-9.46,;25.86,-10.23,;24.52,-9.46,;24.52,-7.92,;25.86,-7.15,;27.19,-7.93,;28.52,-7.16,;29.86,-7.93,;31.19,-7.16,;31.19,-5.61,;29.85,-4.84,;28.52,-5.62,;32.52,-4.84,;32.51,-3.3,;33.85,-2.53,;35.19,-3.3,;36.52,-2.53,;37.85,-3.3,;39.19,-2.53,;37.85,-4.84,;35.18,-4.84,;33.86,-5.61,;23.19,-7.15,;21.86,-7.92,;23.19,-5.61,)|
BDBM50399713 Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O |r,wU:13.14,wD:16.21,(8.54,-10.7,;7.21,-9.94,;5.88,-10.71,;4.54,-9.94,;4.54,-8.4,;5.87,-7.63,;7.2,-8.4,;8.53,-7.63,;9.87,-8.4,;11.21,-7.63,;11.2,-6.08,;9.87,-5.32,;8.54,-6.09,;12.53,-5.31,;12.52,-3.77,;13.86,-3,;15.2,-3.77,;15.2,-5.31,;13.87,-6.08,;16.53,-3,;17.86,-3.77,;16.53,-1.46,;3.2,-7.62,;1.87,-8.39,;3.21,-6.08,)|
BDBM50399714 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O
BDBM50430470 CCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:5.5|
BDBM50430471 CCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:4.4|
BDBM50430472 CCC=CS(=O)c1cc(O)c2ccccc2c1O |w:3.3|
BDBM50430473 CC=CS(=O)c1cc(O)c2ccccc2c1O |w:1.0|
BDBM50430474 Oc1cc(c(O)c2ccccc12)S(=O)C=C
BDBM50430475 CS(=O)C1=CC(=O)c2ccccc2C1=O |t:3|
BDBM50430476 CCCCCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:19|
BDBM50430477 CCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:16|
BDBM50430478 CCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:13|
BDBM50430479 CCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:12|
BDBM50430480 CCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:11|
BDBM50430481 CCCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:10|
BDBM50430482 CCCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:9|
BDBM50430516 COc1ccc(OC)c2c(O)c(cc(O)c12)S(=O)C=C
BDBM50430483 CCCCCCCSC1=CC(=O)c2ccccc2C1=O |t:8|
BDBM50430517 COc1ccc(OC)c2C(=O)C(=CC(=O)c12)S(C)=O |c:11|
BDBM50430484 CCCCCCS(=O)c1cc(O)c2ccccc2c1
BDBM50430485 CCCCCSC1=CC(=O)c2ccccc2C1=O |t:6|
BDBM50430486 CCCCSC1=CC(=O)c2ccccc2C1=O |t:5|
BDBM50430487 CCCSC1=CC(=O)c2ccccc2C1=O |t:4|
BDBM50430488 CCSC1=CC(=O)c2ccccc2C1=O |t:3|
BDBM50430489 CSC1=CC(=O)c2ccccc2C1=O |t:2|
BDBM50430490 CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:21|
BDBM50430491 CCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:18|
BDBM50430492 CCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:15|
BDBM50430493 CCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:14|
BDBM50430494 CCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:13|
BDBM50430495 CCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:12|
BDBM50430496 CCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:11|
BDBM50430497 CCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:10|
BDBM50430498 CCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:9|
BDBM50430499 CCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:8|
BDBM50430500 CCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:7|
BDBM50430501 CCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:6|
BDBM50430502 CCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:5|
BDBM50430504 CCCCCCCCCCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:17.17|
BDBM50430505 CCCCCCCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:14.14|
BDBM50430506 CCCCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:11.11|
BDBM50430507 CCCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:10.10|
BDBM50430508 CCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:9.9|
BDBM50430509 CCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:8.8|
BDBM50430510 CCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:7.7|
BDBM50430511 CCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:6.6|
BDBM50430512 CCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:5.5|
BDBM50430513 CCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:4.4|
BDBM50430514 CCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O |w:3.3|
BDBM50430515 COc1ccc(OC)c2c(O)c(cc(O)c12)S(=O)C=CC |w:19.21|
BDBM50430503 COc1ccc(OC)c2C(=O)C(=CC(=O)c12)S(C)(=O)=O |c:11|
BDBM50433213 CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r|
BDBM50433214 CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC |r|
BDBM50433215 CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|
BDBM50433216 CCCNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433217 CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|
BDBM50433218 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r|
BDBM50433219 CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433220 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)C(O)=O |r|
BDBM50433221 COC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433222 CCOC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433201 C[C@@]1(COC(=O)c2ccccc2)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|
BDBM50433202 CCCCCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CCCCC |r|
BDBM50433203 COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433204 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r|
BDBM50433205 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|
BDBM50433206 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|
BDBM50433207 COc1ccc(CNC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)OC(C)=O)c(OC)c1 |r|
BDBM50433208 CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433209 CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433210 CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|
BDBM50433211 CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50433212 CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|
BDBM50429592 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(I)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429593 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429570 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Cl)cc1I)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429571 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429594 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C=C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429595 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429596 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(I)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429597 CSc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429598 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429599 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429572 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C#N)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429600 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Br)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429601 CCc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429602 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Cl)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429573 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429603 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429604 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429605 COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429574 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429575 COc1ccc(cc1F)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429606 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cc3ccccc3s1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429607 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc3ccccc13)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429608 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc3OC(F)(F)Oc3c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429609 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc3ccccc3c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429610 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429611 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)-c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429612 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429576 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(c(F)c1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429577 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429578 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(O)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429579 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429580 COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429581 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(N)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429582 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1Cl)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429583 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50430461 CCCCCCCCCCCCSC1=CC(=O)c2c(OC)ccc(OC)c2C1=O |t:13|
BDBM50430462 CC(C)CNC(=O)\C=C\C=C\CCCC\C=C\c1ccc2OCOc2c1
BDBM50430463 CCCCCCCCCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:14.14|
BDBM50430464 CCCCCCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:11.11|
BDBM50430465 CCCCCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:10.10|
BDBM50430466 CCCCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:9.9|
BDBM50430467 CCCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:8.8|
BDBM50430468 CCCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:7.7|
BDBM50430469 CCCCCC=CS(=O)c1cc(O)c2ccccc2c1O |w:6.6|
BDBM50429584 COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429585 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429586 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1C)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429587 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429008 OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
BDBM50429009 Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
BDBM50429588 CSc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|
BDBM50429589 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Cl)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429590 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)N=[N+]=[N-])[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50429591 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1I)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
BDBM50436347 Cc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc5cc(oc(=O)c5[C@H](O)[C@H]43)-c3cccnc3)O2)c(C)c1 |r|
BDBM50436351 Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436352 Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436353 Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436354 CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1C |r|
BDBM50436355 CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|
BDBM50436348 C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1F |r|
BDBM50436349 COc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436350 Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436342 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436327 Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436328 Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436329 COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|
BDBM50436330 C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|
BDBM50436331 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2Cl)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436332 COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|
BDBM50436333 C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|
BDBM50436334 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2F)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436335 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(C=O)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436336 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Br)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436343 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436337 C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|
BDBM50436338 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Cl)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436344 C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|
BDBM50436345 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12 |r|
BDBM50436339 COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|
BDBM50436340 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436346 Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
BDBM50436341 C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Br)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|
BDBM50436124 CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C |r|
BDBM50438735 Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)|
BDBM50020045 C[C@@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,1.0,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)|
BDBM50020046 OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |r,wU:4.3,wD:7.10,(21.59,-12.75,;22.36,-11.41,;23.9,-11.41,;21.59,-10.08,;20.05,-10.08,;19.28,-11.41,;17.74,-11.41,;16.97,-10.08,;17.74,-8.74,;19.28,-8.74,;15.43,-10.08,;14.66,-11.41,;13.12,-11.41,;12.35,-10.08,;13.12,-8.74,;14.66,-8.74,;10.81,-10.08,;10.04,-8.74,;8.5,-8.74,;7.73,-10.08,;6.19,-10.08,;5.42,-11.41,;6.19,-12.75,;7.73,-12.75,;8.5,-11.41,;10.04,-11.41,;5.42,-8.74,;6.19,-7.41,;3.88,-8.74,;3.11,-7.41,;3.88,-6.08,;3.11,-4.74,;1.57,-4.74,;.8,-3.41,;.8,-6.08,;1.57,-7.41,;.8,-8.74,;-.62,-8.96,;1.42,-10.14,;.03,-10.08,)|
BDBM50031506 OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:6.9,3.2,(22.66,-7.8,;22.66,-6.26,;24,-5.5,;21.33,-5.48,;21.33,-3.94,;20,-3.16,;18.67,-3.93,;18.66,-5.48,;19.99,-6.25,;17.33,-3.16,;16,-3.93,;16,-5.47,;14.67,-6.24,;13.34,-5.47,;13.33,-3.93,;14.66,-3.16,;12,-6.24,;10.67,-5.47,;9.34,-6.25,;9.34,-7.79,;10.67,-8.56,;12.01,-7.79,;8,-8.55,;6.6,-7.93,;5.57,-9.07,;4.04,-9.07,;3.27,-10.4,;1.73,-10.4,;4.04,-11.73,;5.57,-11.73,;6.33,-10.4,;7.84,-10.08,)|
BDBM50031502 OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(22.37,-7.8,;22.37,-6.26,;23.71,-5.5,;21.04,-5.48,;21.04,-3.94,;19.71,-3.16,;18.38,-3.93,;18.37,-5.48,;19.7,-6.25,;17.05,-3.16,;15.71,-3.93,;15.71,-5.47,;14.38,-6.24,;13.05,-5.47,;13.04,-3.93,;14.38,-3.16,;11.71,-6.24,;10.38,-5.47,;9.05,-6.25,;9.05,-7.79,;10.38,-8.56,;11.72,-7.79,;7.71,-8.55,;6.31,-7.93,;5.28,-9.07,;3.75,-9.07,;2.98,-10.4,;3.76,-11.73,;5.28,-11.73,;6.05,-10.4,;7.55,-10.08,;1.44,-10.4,;.67,-9.07,;.67,-11.74,;-.1,-10.4,)|
BDBM50031503 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(29.05,-9.85,;29.05,-8.31,;30.39,-7.55,;27.72,-7.54,;27.72,-6,;26.39,-5.22,;25.06,-5.98,;25.06,-7.53,;26.38,-8.3,;23.73,-5.21,;22.39,-5.98,;22.39,-7.52,;21.07,-8.29,;19.73,-7.52,;19.72,-5.98,;21.06,-5.21,;18.4,-8.29,;17.06,-7.53,;15.73,-8.3,;15.73,-9.84,;17.06,-10.61,;18.4,-9.84,;14.4,-10.61,;12.99,-9.98,;11.96,-11.13,;10.43,-11.13,;9.66,-12.46,;10.44,-13.79,;11.97,-13.78,;12.73,-12.46,;14.23,-12.14,;8.12,-12.46,;7.35,-11.13,;7.35,-13.79,;6.58,-12.45,)|
BDBM50031504 OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,(22.66,-7.8,;22.66,-6.26,;24,-5.5,;21.33,-5.48,;21.33,-3.94,;20,-3.16,;18.67,-3.93,;18.66,-5.48,;19.99,-6.25,;17.33,-3.16,;16,-3.93,;16,-5.47,;14.67,-6.24,;13.34,-5.47,;13.33,-3.93,;14.66,-3.16,;12,-6.24,;10.67,-5.47,;9.34,-6.25,;9.34,-7.79,;10.67,-8.56,;12.01,-7.79,;8,-8.55,;6.6,-7.93,;5.57,-9.07,;4.04,-9.07,;3.27,-10.4,;1.73,-10.4,;4.04,-11.73,;5.57,-11.73,;6.33,-10.4,;7.84,-10.08,)|
BDBM50031505 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wU:6.9,wD:3.2,(37.68,-12.65,;37.68,-11.11,;39.02,-10.34,;36.35,-10.33,;36.35,-8.79,;35.02,-8.01,;33.69,-8.77,;33.68,-10.32,;35.01,-11.09,;32.35,-8,;31.02,-8.77,;31.02,-10.31,;29.69,-11.08,;28.36,-10.31,;28.35,-8.78,;29.68,-8,;27.02,-11.08,;25.69,-10.32,;24.36,-11.09,;24.36,-12.64,;25.69,-13.41,;27.03,-12.63,;23.02,-13.4,;21.62,-12.77,;20.59,-13.92,;19.05,-13.92,;18.29,-15.25,;16.75,-15.25,;19.06,-16.58,;20.59,-16.57,;21.35,-15.25,;22.86,-14.93,)|
BDBM50090510 CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
BDBM182847 CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
BDBM182848 CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r|
BDBM50031501 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:6.9,wD:3.2,(37.68,-12.65,;37.68,-11.11,;39.02,-10.34,;36.35,-10.33,;36.35,-8.79,;35.02,-8.01,;33.69,-8.77,;33.68,-10.32,;35.01,-11.09,;32.35,-8,;31.02,-8.77,;31.02,-10.31,;29.69,-11.08,;28.36,-10.31,;28.35,-8.78,;29.68,-8,;27.02,-11.08,;25.69,-10.32,;24.36,-11.09,;24.36,-12.64,;25.69,-13.41,;27.03,-12.63,;23.02,-13.4,;21.62,-12.77,;20.59,-13.92,;19.05,-13.92,;18.29,-15.25,;16.75,-15.25,;19.06,-16.58,;20.59,-16.57,;21.35,-15.25,;22.86,-14.93,)|
BDBM182849 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1
BDBM182850 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1
BDBM182851 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
BDBM182852 CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1
BDBM182853 CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM182854 CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM182855 CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1