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260 SMILES Strings for Nuclear receptor ROR-alpha

Compound NameSMILES String
BDBM19993 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
BDBM31883 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM50396595 Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50426729 CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
BDBM50434237 CCOc1cc(ccc1OCc1ccccc1Cl)C1NC(=O)N=C(C)C1C(C)=O |t:24|
BDBM50434238 CCOC(=O)C1C(NC(=O)N=C1C)c1cc(OC)c(OCc2ccccc2Cl)cc1Cl |c:10|
BDBM50434239 CCOC(=O)C1C(NC(=O)N=C1CC)c1ccc(OCc2ccccc2)c(OC)c1 |c:10|
BDBM50434240 CCOC(=O)C1C(N(C)C(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:11|
BDBM50434241 CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1 |c:5|
BDBM50434242 CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCCc2ccccc2)c(OC)c1 |c:10|
BDBM50434243 COc1cc(ccc1OCc1ccccc1Cl)C1NC(=O)N=C(C)C1C(C)=O |t:23|
BDBM50434244 CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:10|
BDBM50434245 CC1=NC(=O)NC(C1C(=O)OCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1 |t:1|
BDBM50434246 CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)cc1 |c:10|
BDBM50434247 CC1=NC(=O)NC(C1C(=O)OCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 |t:1|
BDBM50434248 COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCC(F)(F)F |t:22|
BDBM50434249 CCCCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:12|
BDBM50434250 COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCC=C |t:22|
BDBM50434251 COC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:9|
BDBM50434252 COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCCSC |t:22|
BDBM50434253 COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCc1ccc2OCOc2c1 |t:22|
BDBM50434254 COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC |c:15|
BDBM50434255 COc1cccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)c1 |c:16|
BDBM50434256 COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 |c:15|
BDBM50434257 COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:22|
BDBM50444333 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
BDBM50444335 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
BDBM50444338 CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50448404 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccccc1
BDBM50448405 C[Si]1(C)CC[Si](C)(C)c2cc(ccc12)C(=O)Nc1ccccc1
BDBM50445895 CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccccc2)cc1
BDBM50445877 CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
BDBM50012206 OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
BDBM50012239 CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
BDBM50012258 OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
BDBM50012259 CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012261 CCCCn1c2ccccc2c2ccccc2c1=O
BDBM50012279 CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012264 CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)(C)C
BDBM50012268 CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012272 CCCCn1c2ccc(CO)cc2c2ccccc2c1=O
BDBM50012275 CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012238 CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012248 CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012260 CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012262 OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
BDBM50012263 CCCCCCc1ccc2n(CCCC)c(=O)c3ccccc3c2c1
BDBM50012265 CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012266 CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)C
BDBM50012267 CCCCn1c2ccc(C)cc2c2ccccc2c1=O
BDBM50012269 OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
BDBM50012270 CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012271 CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012273 CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012122 CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
BDBM50012124 CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
BDBM50012274 CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012276 CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012277 CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
BDBM50012123 CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
BDBM50012126 CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
BDBM50012130 CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
BDBM50044160 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
BDBM50050083 CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
BDBM50050086 CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1
BDBM50050087 CC(C)N(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
BDBM50035907 CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50035918 CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50035885 CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1
BDBM50050117 CC(=O)N1CCN(CC1)c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)cc1
BDBM50035908 CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50035915 CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50092605 CCCC[Si]1(CCCC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
BDBM50092606 C[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
BDBM50092607 CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
BDBM50121938 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
BDBM50121939 Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
BDBM50106288 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
BDBM50106289 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1
BDBM50106290 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1
BDBM50121988 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
BDBM50105919 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O
BDBM50105925 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC1CCC1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50105929 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCC1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50105930 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50105981 [2H]C([2H])([2H])N(C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50105984 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ncc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50106007 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1
BDBM50106008 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C1CC1
BDBM50106009 CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
BDBM50106011 CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
BDBM50106285 OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
BDBM50106286 OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
BDBM50106287 OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
BDBM50105933 CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
BDBM50108881 NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
BDBM50105928 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50105982 [2H]C([2H])([2H])N(C(=O)c1c(C)cccc1F)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50106002 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1
BDBM50105932 [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1-c1ccccc1)-c1cc(NC(C)=O)nn1C(C)C
BDBM50152147 C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
BDBM50153594 CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
BDBM253445 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wD:10.32,(5.5,-2.78,;3.96,-2.78,;3.19,-4.12,;1.65,-4.12,;.88,-2.78,;1.65,-1.45,;3.19,-1.45,;-.66,-2.78,;-.66,-4.32,;-1.99,-3.55,;-1.43,-1.45,;-2.33,-.2,;-1.43,1.04,;.04,.57,;.04,-.97,;.81,1.9,;.04,3.23,;2.35,1.9,;3.12,.57,;4.66,.57,;5.43,1.9,;4.66,3.23,;3.12,3.23,;6.33,.65,;7.8,1.13,;9.13,.36,;7.8,2.67,;6.33,3.14,;5.56,4.48,;-2.97,-1.45,;-3.74,-.12,;-5.28,-.12,;-6.05,-1.45,;-5.28,-2.78,;-3.74,-2.78,;-7.59,-1.45,;-9.13,-1.45,;-7.59,.09,;-8.92,.86,;-6.26,.86,;-7.99,1.58,;-7.59,-2.99,;-6.26,-3.76,;-8.92,-3.76,;-7.19,-4.48,)|
BDBM253135 OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:14.17,3.2,wD:6.9,(.2,-10.82,;-.7,-9.58,;-2.23,-9.74,;-.07,-8.17,;-.98,-6.92,;-.35,-5.52,;1.18,-5.36,;2.08,-6.6,;1.46,-8.01,;1.8,-3.95,;3.34,-3.79,;.9,-2.7,;-.64,-2.7,;-1.12,-1.24,;.13,-.33,;1.38,-1.24,;-.9,.81,;-.43,2.28,;-1.46,3.42,;-2.96,3.1,;-3.44,1.64,;-2.41,.49,;-3.99,4.24,;-5.02,5.39,;-5.14,3.21,;-6.28,2.18,;-6.17,4.36,;-4.11,2.07,;-2.85,5.28,;-1.7,6.31,;-1.82,4.13,;-3.88,6.42,;1.16,.81,;2.3,-.22,;.02,1.84,;2.19,1.96,;1.71,3.42,;2.74,4.56,;4.25,4.24,;5.28,5.39,;4.73,2.78,;3.7,1.64,)|
BDBM253143 NC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:14.17,3.2,wD:6.9,(.2,-10.82,;-.7,-9.58,;-2.23,-9.74,;-.07,-8.17,;-.98,-6.92,;-.35,-5.52,;1.18,-5.36,;2.08,-6.6,;1.46,-8.01,;1.8,-3.95,;3.34,-3.79,;.9,-2.7,;-.64,-2.7,;-1.12,-1.24,;.13,-.33,;1.38,-1.24,;-.9,.81,;-.43,2.28,;-1.46,3.42,;-2.96,3.1,;-3.44,1.64,;-2.41,.49,;-3.99,4.24,;-5.02,5.39,;-5.14,3.21,;-6.28,2.18,;-6.17,4.36,;-4.11,2.07,;-2.85,5.28,;-1.7,6.31,;-1.82,4.13,;-3.88,6.42,;1.16,.81,;2.3,-.22,;.02,1.84,;2.19,1.96,;1.71,3.42,;2.74,4.56,;4.25,4.24,;5.28,5.39,;4.73,2.78,;3.7,1.64,)|
BDBM253525 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1CCS(=O)(=O)CC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM253529 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1CCS(=O)(=O)C1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM253534 CC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253539 CCC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253615 OCC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253542 OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253544 COC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50177015 CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
BDBM253554 OC[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:13.16,2.1,wD:5.8,(-.06,-11.15,;-.96,-9.91,;-.33,-8.5,;-1.24,-7.26,;-.61,-5.85,;.92,-5.69,;1.82,-6.93,;1.2,-8.34,;1.54,-4.28,;3.08,-4.12,;.64,-3.03,;-.9,-3.03,;-1.38,-1.57,;-.13,-.67,;1.12,-1.57,;-1.16,.48,;-.69,1.94,;-1.72,3.09,;-3.22,2.77,;-3.7,1.3,;-2.67,.16,;-4.25,3.91,;-5.28,5.06,;-5.4,2.88,;-6.54,1.85,;-6.43,4.03,;-4.37,1.74,;-3.11,4.94,;-1.96,5.97,;-2.08,3.8,;-4.14,6.09,;.9,.48,;2.04,-.55,;-.24,1.51,;1.93,1.62,;1.45,3.09,;2.48,4.23,;3.99,3.91,;5.02,5.06,;4.47,2.45,;3.44,1.3,)|
BDBM253422 C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O |r,wU:12.15,1.43,wD:4.7,1.0,(.2,-7.36,;1.42,-6.41,;.51,-5.16,;1.14,-3.76,;2.67,-3.6,;3.57,-4.84,;2.95,-6.25,;3.3,-2.19,;4.83,-2.03,;2.39,-.94,;.85,-.94,;.37,.52,;1.62,1.43,;2.87,.52,;.09,1.27,;-.54,-.14,;-2.07,-.3,;-2.97,.94,;-2.35,2.35,;-.82,2.51,;-4.51,.78,;-4.34,-.75,;-4.67,2.31,;-4.83,3.85,;-3.14,2.48,;-6.2,2.15,;-6.04,.62,;-7.57,.46,;-7.07,1.77,;-5.88,-.91,;2.65,2.57,;3.8,1.54,;3.68,3.72,;1.51,3.6,;.04,3.13,;-1.1,4.16,;-.78,5.66,;-1.93,6.69,;.68,6.14,;1.83,5.11,;1.52,-7.95,;2.91,-8.62,;.25,-8.81,)|
BDBM253423 OC(=O)[C@]1(F)CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:15.18,3.3,wD:7.10,3.2,(2.91,-8.62,;1.52,-7.95,;.25,-8.81,;1.42,-6.41,;.2,-7.36,;.51,-5.16,;1.14,-3.76,;2.67,-3.6,;3.57,-4.84,;2.95,-6.25,;3.3,-2.19,;4.83,-2.03,;2.39,-.94,;.85,-.94,;.37,.52,;1.62,1.43,;2.87,.52,;.09,1.27,;-.54,-.14,;-2.07,-.3,;-2.97,.94,;-2.35,2.35,;-.82,2.51,;-4.51,.78,;-4.34,-.75,;-4.67,2.31,;-4.83,3.85,;-3.14,2.48,;-6.2,2.15,;-6.04,.62,;-7.57,.46,;-7.07,1.77,;-5.88,-.91,;2.65,2.57,;3.8,1.54,;3.68,3.72,;1.51,3.6,;.04,3.13,;-1.1,4.16,;-.78,5.66,;-1.93,6.69,;.68,6.14,;1.83,5.11,)|
BDBM253557 O[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:12.15,1.0,wD:4.7,(-1.21,-4.9,;-.58,-3.49,;-1.49,-2.25,;-.86,-.84,;.67,-.68,;1.58,-1.92,;.95,-3.33,;1.3,.73,;2.83,.89,;.39,1.97,;-1.15,1.97,;-1.62,3.44,;-.38,4.34,;.87,3.44,;-1.13,5.69,;-2.67,5.7,;-3.43,7.04,;-2.65,8.37,;-1.11,8.35,;-.35,7.01,;-3.4,9.71,;-4.16,11.05,;-4.74,8.96,;-6.09,8.2,;-5.5,10.3,;-3.99,7.61,;-2.06,10.47,;-.72,11.22,;-1.3,9.13,;-2.82,11.81,;.38,5.69,;.2,7.22,;1.13,7.03,;1.72,4.93,;3.05,5.71,;4.39,4.96,;4.4,3.42,;5.74,2.66,;3.08,2.63,;1.74,3.39,)|
BDBM253558 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1(F)CCS(=O)(=O)CC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM253425 OC(=O)[C@@]1(F)CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:15.18,3.2,wD:7.10,3.3,(2.91,-8.62,;1.52,-7.95,;.25,-8.81,;1.42,-6.41,;.2,-7.36,;.51,-5.16,;1.14,-3.76,;2.67,-3.6,;3.57,-4.84,;2.95,-6.25,;3.3,-2.19,;4.83,-2.03,;2.39,-.94,;.85,-.94,;.37,.52,;1.62,1.43,;2.87,.52,;.09,1.27,;-.54,-.14,;-2.07,-.3,;-2.97,.94,;-2.35,2.35,;-.82,2.51,;-4.51,.78,;-4.34,-.75,;-4.67,2.31,;-4.83,3.85,;-3.14,2.48,;-6.2,2.15,;-6.04,.62,;-7.57,.46,;-7.07,1.77,;-5.88,-.91,;2.65,2.57,;3.8,1.54,;3.68,3.72,;1.51,3.6,;.04,3.13,;-1.1,4.16,;-.78,5.66,;-1.93,6.69,;.68,6.14,;1.83,5.11,)|
BDBM253426 OC(=O)[C@H]1CC[C@@](F)(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:3.2,6.6,wD:15.18,6.10,(-3.31,-8.88,;-4.38,-7.77,;-5.87,-8.15,;-3.95,-6.29,;-5.02,-5.18,;-4.6,-3.7,;-3.1,-3.33,;-1.83,-2.47,;-2.03,-4.44,;-2.46,-5.92,;-3.73,-1.92,;-5.26,-1.76,;-2.82,-.68,;-1.28,-.68,;-.81,.79,;-2.05,1.69,;-3.3,.79,;-.52,1.53,;.38,2.78,;1.91,2.61,;2.54,1.21,;1.63,-.04,;.1,.12,;4.07,1.05,;4.23,2.58,;3.91,-.48,;3.75,-2.02,;2.38,-.32,;5.44,-.65,;5.6,.89,;7.13,.73,;6.37,-.45,;5.76,2.42,;-3.09,2.84,;-4.23,1.8,;-4.12,3.98,;-1.94,3.87,;-2.26,5.37,;-1.12,6.4,;.35,5.93,;1.49,6.96,;.67,4.42,;-.48,3.39,)|
BDBM253427 CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.1,5.8,wD:16.19,2.11,(-.36,-3.62,;-1.75,-2.95,;-3.02,-3.81,;-4.52,-4.18,;-4.94,-5.66,;-3.87,-6.77,;-2.38,-6.4,;-1.95,-4.92,;-4.3,-8.25,;-3.23,-9.36,;-5.79,-8.62,;-3.65,-2.4,;-5.18,-2.24,;-2.75,-1.16,;-1.21,-1.16,;-.73,.31,;-1.98,1.21,;-3.22,.31,;-.44,1.05,;.46,2.3,;1.99,2.14,;2.62,.73,;1.71,-.51,;.18,-.35,;4.15,.57,;4.31,2.1,;3.99,-.96,;3.83,-2.49,;2.46,-.8,;5.52,-1.12,;5.68,.41,;7.21,.25,;6.45,-.92,;5.84,1.94,;-3.01,2.36,;-4.15,1.33,;-4.04,3.5,;-1.86,3.39,;-2.18,4.9,;-1.04,5.93,;.43,5.45,;1.57,6.48,;.75,3.94,;-.4,2.91,)|
BDBM253432 OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253571 CS(=O)(=O)C1CCC(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wD:15.18,(8.43,1.01,;7.66,2.34,;8.43,3.68,;7.66,3.88,;6.12,2.34,;5.35,1.01,;3.81,1.01,;3.04,2.34,;3.81,3.68,;5.35,3.68,;1.5,2.34,;.73,3.68,;.73,1.01,;-.73,1.48,;-1.64,.24,;-.73,-1.01,;.73,-.53,;-2.27,-1.01,;-3.04,.33,;-4.58,.33,;-5.35,-1.01,;-4.58,-2.34,;-3.04,-2.34,;-6.89,-1.01,;-8.43,-1.01,;-6.89,.53,;-8.23,1.3,;-5.56,1.3,;-7.66,1.87,;-6.89,-2.55,;-8.23,-3.32,;-5.56,-3.32,;-6.12,-3.88,;.04,-2.34,;.04,-3.88,;-.73,-3.68,;1.58,-2.34,;2.35,-3.68,;3.89,-3.68,;4.66,-2.34,;6.2,-2.34,;3.89,-1.01,;2.35,-1.01,)|
BDBM253433 CCC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:17.20,3.2,6.9,wD:3.12,(6.16,-6.82,;4.67,-6.45,;4.24,-4.97,;2.75,-4.6,;1.47,-3.74,;.09,-4.41,;-.02,-5.95,;1.26,-6.81,;2.64,-6.14,;-1.4,-6.62,;-1.51,-8.16,;-2.68,-5.76,;3.37,-3.19,;4.91,-3.03,;2.47,-1.95,;.93,-1.95,;.45,-.48,;1.7,.42,;2.95,-.48,;.17,.26,;-.46,-1.14,;-1.99,-1.31,;-2.9,-.06,;-2.27,1.35,;-.74,1.51,;-4.43,-.22,;-5.96,-.38,;-4.27,-1.75,;-4.1,-3.28,;-5.8,-1.91,;-2.73,-1.59,;-4.59,1.31,;-4.75,2.84,;-3.06,1.47,;-6.12,1.15,;2.73,1.57,;3.87,.54,;3.76,2.71,;1.59,2.6,;.12,2.12,;-1.02,3.15,;-.7,4.66,;-1.85,5.69,;.76,5.14,;1.91,4.1,)|
BDBM253436 CC[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O |r,wU:13.16,2.44,wD:5.8,2.1,(3.05,-8.77,;1.67,-8.09,;1.56,-6.56,;.66,-5.31,;1.28,-3.9,;2.82,-3.74,;3.72,-4.99,;3.09,-6.4,;3.44,-2.34,;4.97,-2.17,;2.54,-1.09,;1,-1.09,;.52,.37,;1.77,1.28,;3.01,.37,;.24,1.12,;-.39,-.29,;-1.92,-.45,;-2.83,.8,;-2.2,2.2,;-.67,2.36,;-4.36,.64,;-5.89,.48,;-4.2,-.9,;-4.04,-2.43,;-5.73,-1.06,;-2.67,-.73,;-4.52,2.17,;-4.68,3.7,;-2.99,2.33,;-6.05,2.01,;2.8,2.42,;3.94,1.39,;3.83,3.57,;1.65,3.45,;.19,2.98,;-.96,4.01,;-.64,5.52,;-1.78,6.55,;.83,5.99,;1.97,4.96,;.35,-7.5,;.56,-9.03,;-1.08,-6.93,)|
BDBM253437 OC(=O)C12CCC(CC1)(C2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253439 OC(=O)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253440 OC(=O)[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253441 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn[nH]1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:17.18,wD:10.31,20.25,(5.4,-2.16,;3.86,-2.16,;3.09,-3.5,;1.55,-3.5,;.78,-2.16,;1.55,-.83,;3.09,-.83,;-.76,-2.16,;-.76,-3.7,;-2.1,-2.93,;-1.53,-.83,;-2.44,.42,;-1.53,1.66,;-.07,1.19,;-.07,-.35,;.7,2.52,;-.07,3.86,;2.24,2.52,;3.01,3.86,;4.55,3.86,;5.32,2.52,;4.55,1.19,;3.01,1.19,;6.86,2.52,;7.77,3.77,;9.23,3.29,;9.23,1.75,;7.77,1.28,;-3.07,-.83,;-3.84,.51,;-5.38,.51,;-6.15,-.83,;-5.38,-2.16,;-3.84,-2.16,;-7.69,-.83,;-9.23,-.83,;-7.69,.71,;-9.03,1.48,;-6.36,1.48,;-8.09,2.2,;-7.69,-2.37,;-6.36,-3.14,;-9.03,-3.14,;-7.29,-3.86,)|
BDBM253442 OC(=O)C12CCC(CC1)(OC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:16.20,(-1.15,.45,;-2.05,2.08,;-3.48,1.02,;-1.75,4.01,;-.35,3.37,;-.63,4.79,;-2.01,5.41,;-3.51,4.75,;-3.31,3.34,;-1.94,7.08,;-1.49,5.95,;-2.48,3.55,;-3.94,2.45,;-.85,2.94,;.54,3.61,;1.61,2.5,;.88,1.14,;-.64,1.41,;.45,-.34,;1.52,-1.45,;1.09,-2.93,;-.41,-3.29,;-1.47,-2.18,;-1.04,-.7,;-.84,-4.77,;-1.27,-6.25,;.64,-5.2,;2.12,-5.63,;.21,-6.68,;1.07,-3.72,;-2.32,-4.34,;-3.79,-3.92,;-1.89,-2.87,;-2.74,-5.82,;2.61,1.03,;4.04,1.93,;2,-.46,;3.73,-.02,;5.21,.43,;6.33,-.63,;5.98,-2.13,;7.1,-3.18,;4.5,-2.57,;3.38,-1.52,)|
BDBM253443 OC(=O)C12CCC(CC1)(CO2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:16.20,(-1.15,.45,;-2.05,2.08,;-3.48,1.02,;-1.75,4.01,;-1.49,5.95,;-1.94,7.08,;-2.01,5.41,;-.63,4.79,;-.35,3.37,;-3.51,4.75,;-3.31,3.34,;-2.48,3.55,;-3.94,2.45,;-.85,2.94,;.54,3.61,;1.61,2.5,;.88,1.14,;-.64,1.41,;.45,-.34,;1.52,-1.45,;1.09,-2.93,;-.41,-3.29,;-1.47,-2.18,;-1.04,-.7,;-.84,-4.77,;-1.27,-6.25,;.64,-5.2,;2.12,-5.63,;.21,-6.68,;1.07,-3.72,;-2.32,-4.34,;-3.79,-3.92,;-1.89,-2.87,;-2.74,-5.82,;2.61,1.03,;4.04,1.93,;2,-.46,;3.73,-.02,;5.21,.43,;6.33,-.63,;5.98,-2.13,;7.1,-3.18,;4.5,-2.57,;3.38,-1.52,)|
BDBM253444 OC(=O)[C@H]1[C@H]2C[C@@H](C[C@@H]12)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM253451 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:4.3,wD:15.18,7.10,(-10.36,-5.17,;-8.82,-5.33,;-7.92,-4.08,;-8.54,-2.67,;-6.39,-4.24,;-5.48,-3,;-3.95,-3.16,;-3.32,-4.56,;-4.23,-5.81,;-5.76,-5.65,;-1.79,-4.72,;-1.17,-6.13,;-.89,-3.48,;.65,-3.48,;1.13,-2.01,;-.12,-1.11,;-1.36,-2.01,;.91,.04,;.44,1.5,;1.47,2.64,;2.97,2.32,;3.45,.86,;2.42,-.28,;4,3.47,;5.04,4.61,;2.86,4.5,;1.72,5.53,;3.89,5.64,;1.83,3.36,;5.15,2.44,;6.29,1.41,;4.12,1.29,;6.18,3.58,;-1.15,.04,;-0,1.07,;-2.29,-.99,;-2.18,1.18,;-3.68,.86,;-4.71,2,;-4.24,3.47,;-5.27,4.61,;-2.73,3.79,;-1.7,2.64,)|
BDBM50203462 CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
BDBM50203493 CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
BDBM310631 C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O |r|
BDBM302860 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
BDBM302861 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
BDBM302858 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM302859 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM50235602 CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCCC3CCCC3)C2=S)CN1 |r,t:3|
BDBM50235603 Fc1ccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)cc1 |r,t:6|
BDBM50235607 Cc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1 |r,t:7|
BDBM50235604 C\C=C\C1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)CN1 |r,t:3|
BDBM50235606 CCCC1=N[C@@H](CCCCN2C[C@H](N(CCc3ccccc3)C2=S)C(C)(C)C)CN1 |r,t:3|
BDBM50235608 S=C1N(CCCC[C@H]2CNC(CCC3CCCC3)=N2)C[C@H](Cc2ccccc2)N1CCc1ccccc1 |r,c:18|
BDBM50235617 CC(CC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)CN1)c1ccccc1 |r,t:3|
BDBM50235620 Fc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1 |r,t:7|
BDBM50235609 S=C1N(CCCC[C@H]2CNC(CC3CCCCC3)=N2)C[C@H](Cc2ccccc2)N1CCc1ccccc1 |r,c:18|
BDBM50235618 CCCC[C@H]1CN(CCCC[C@H]2CNC(CCC)=N2)C(=S)N1CCc1ccccc1 |r,c:17|
BDBM50235619 C=CCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)CN1 |r,t:3|
BDBM50235622 CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3C4CC5CC(C4)CC3C5)C2=S)CN1 |r,wU:12.12,wD:5.5,t:3,TLB:22:23:25:29.28.27,THB:27:26:23:29.28.30,27:28:23:25.26.32,30:31:25:29.28.27,30:28:25:23.32.31,(22.13,-39.35,;20.66,-39.83,;20.34,-41.33,;18.87,-41.81,;17.63,-40.9,;16.38,-41.81,;14.92,-41.33,;14.6,-39.82,;13.13,-39.35,;12.82,-37.84,;11.35,-37.36,;10.88,-35.9,;9.34,-35.89,;8.44,-34.64,;9.19,-33.3,;10.72,-33.28,;11.47,-31.93,;10.67,-30.61,;9.12,-30.64,;8.39,-31.99,;8.86,-37.36,;7.4,-37.83,;6.26,-36.8,;4.79,-37.27,;4.17,-38.66,;4.53,-40.17,;3.3,-38.92,;1.82,-38.87,;1.4,-37.5,;2.59,-38.59,;2.04,-36.13,;3.56,-36.21,;3.85,-37.62,;10.11,-38.26,;10.11,-39.8,;16.85,-43.27,;18.39,-43.27,)|
BDBM50235621 COc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1 |r,t:8|
BDBM50235605 CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CC3CCC(C)CC3)C2=S)CN1 |r,wD:12.12,5.5,t:3,(13.24,-47.1,;14.22,-45.9,;15.74,-46.15,;16.71,-44.95,;18.24,-45.04,;18.8,-43.59,;20.29,-43.2,;21.37,-44.29,;22.86,-43.89,;23.95,-44.98,;25.44,-44.59,;25.99,-43.15,;27.53,-43.23,;28.5,-42.03,;27.94,-40.59,;28.91,-39.4,;28.36,-37.96,;26.84,-37.72,;25.87,-38.93,;26.43,-40.36,;27.93,-44.72,;29.36,-45.28,;30.7,-44.51,;32.03,-45.29,;33.36,-44.53,;33.37,-42.99,;34.71,-42.22,;32.04,-42.21,;30.69,-42.97,;26.63,-45.56,;26.55,-47.09,;17.61,-42.63,;16.31,-43.46,)|
BDBM50235623 CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CC4CCC3C4)C2=S)CN1 |r,t:3,THB:22:23:29:26.27|
BDBM364370 OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
BDBM382280 OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 |r,wU:15.16,3.2,wD:6.9,14.37,(-10.97,-1.49,;-9.8,-.49,;-10.07,1.02,;-8.35,-1.01,;-7.17,-.02,;-5.72,-.54,;-5.45,-2.06,;-6.63,-3.05,;-8.07,-2.53,;-4,-2.58,;-3.73,-4.09,;-2.82,-1.58,;-2.94,-.05,;-1.51,.53,;-.52,-.64,;-1.33,-1.95,;-.6,-3.31,;.94,-3.36,;1.75,-2.05,;3.29,-2.09,;4.1,-.79,;3.37,.57,;1.83,.62,;1.02,-.69,;5.64,-.83,;5.69,.71,;7.18,-.88,;8.72,-.93,;7.13,-2.42,;7.23,.66,;5.59,-2.37,;4.23,-3.1,;6.9,-3.18,;5.54,-3.91,;.15,.74,;1.66,1.07,;.31,2.28,;-.71,2.02,;-2.25,1.91,;-3.11,3.18,;-2.44,4.57,;-.91,4.68,;-.04,3.41,)|
BDBM382173 OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:15.16,3.2,wD:6.9,14.37,(-10.01,1.35,;-9.74,-.16,;-10.91,-1.16,;-8.29,-.68,;-7.11,.31,;-5.66,-.21,;-5.39,-1.73,;-6.57,-2.72,;-8.01,-2.2,;-3.94,-2.25,;-3.67,-3.76,;-2.76,-1.25,;-2.88,.28,;-1.45,.87,;-.46,-.31,;-1.27,-1.62,;-.54,-2.98,;1,-3.02,;1.81,-1.72,;3.35,-1.76,;4.16,-.46,;3.43,.9,;1.89,.95,;1.08,-.36,;5.7,-.5,;5.75,1.04,;7.24,-.55,;8.78,-.6,;7.19,-2.09,;7.29,.99,;5.65,-2.04,;4.29,-2.77,;6.96,-2.85,;5.6,-3.58,;.21,1.08,;1.74,1.24,;.84,2.48,;-.65,2.35,;-2.19,2.24,;-3.05,3.51,;-2.38,4.9,;-3.25,6.17,;-.85,5.01,;.02,3.74,)|
BDBM382353 C[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:16.17,4.7,1.0,wD:1.10,15.38,(-5.67,-3.47,;-5.41,-1.95,;-4.64,-.61,;-5.42,.72,;-6.96,.71,;-7.72,-.62,;-6.95,-1.95,;-7.73,2.04,;-9.27,2.04,;-6.97,3.38,;-3.96,-2.47,;-3.69,-3.98,;-2.78,-1.47,;-2.9,.06,;-1.47,.64,;-.48,-.53,;-1.29,-1.84,;-.56,-3.2,;.98,-3.25,;1.79,-1.94,;3.33,-1.99,;4.14,-.68,;3.41,.68,;1.87,.73,;1.06,-.58,;5.68,-.73,;5.73,.81,;7.22,-.77,;8.76,-.82,;7.17,-2.31,;7.27,.77,;5.63,-2.26,;4.28,-2.99,;6.94,-3.08,;5.58,-3.8,;.19,.85,;1.6,1.48,;.51,2.36,;-.67,2.13,;-2.21,2.01,;-3.07,3.29,;-2.4,4.67,;-3.27,5.95,;-.87,4.79,;-0,3.51,)|
BDBM382355 C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O |r,wU:13.14,1.46,wD:4.7,1.0,12.35,(-8.9,.46,;-7.87,-.68,;-6.69,.32,;-5.24,-.2,;-4.97,-1.72,;-6.14,-2.71,;-7.59,-2.19,;-3.52,-2.24,;-3.25,-3.76,;-2.34,-1.25,;-2.46,.29,;-1.03,.87,;-.04,-.31,;-.85,-1.61,;-.12,-2.97,;1.42,-3.02,;2.23,-1.71,;3.77,-1.76,;4.58,-.45,;3.85,.91,;2.32,.96,;1.5,-.35,;6.12,-.5,;6.17,1.04,;7.66,-.55,;9.2,-.59,;7.61,-2.09,;7.71,.99,;6.07,-2.04,;4.72,-2.76,;7.38,-2.85,;6.03,-3.58,;.63,1.08,;2.1,1.56,;1.26,2.49,;-.23,2.35,;-1.77,2.24,;-2.63,3.52,;-1.96,4.9,;-2.83,6.18,;-.43,5.01,;.44,3.74,;-9.39,-.9,;-9.96,-2.33,;-10.34,.31,)|
BDBM382702 OC(=O)C12CC(C1)(C2)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM382356 OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM382357 OC(=O)[C@H]1CC[C@@](O)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:16.17,3.2,6.6,wD:6.10,15.38,(-6.97,3.38,;-7.73,2.04,;-9.27,2.04,;-6.96,.71,;-5.42,.72,;-4.64,-.61,;-5.41,-1.95,;-5.67,-3.47,;-6.95,-1.95,;-7.72,-.62,;-3.96,-2.47,;-3.69,-3.98,;-2.78,-1.47,;-2.9,.06,;-1.47,.64,;-.48,-.53,;-1.29,-1.84,;-.56,-3.2,;.98,-3.25,;1.79,-1.94,;3.33,-1.99,;4.14,-.68,;3.41,.68,;1.87,.73,;1.06,-.58,;5.68,-.73,;5.73,.81,;7.22,-.77,;8.76,-.82,;7.17,-2.31,;7.27,.77,;5.63,-2.26,;4.28,-2.99,;6.94,-3.08,;5.58,-3.8,;.19,.85,;1.66,1.33,;.51,2.36,;-.67,2.13,;-2.21,2.01,;-3.07,3.29,;-2.4,4.67,;-3.27,5.95,;-.87,4.79,;-0,3.51,)|
BDBM382181 OC(=O)[C@H]1CC[C@@](F)(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:16.17,3.2,6.6,wD:6.10,15.38,(-6.98,10.68,;-7.74,9.34,;-9.28,9.33,;-6.97,8.01,;-5.43,8.01,;-4.65,6.68,;-5.42,5.35,;-5.68,3.83,;-6.96,5.34,;-7.73,6.67,;-3.97,4.83,;-3.7,3.31,;-2.79,5.82,;-2.91,7.36,;-1.48,7.94,;-.49,6.76,;-1.3,5.45,;-.57,4.1,;.97,4.05,;1.78,5.36,;3.32,5.31,;4.13,6.62,;3.4,7.97,;1.86,8.02,;1.05,6.71,;5.67,6.57,;5.72,8.11,;7.21,6.52,;8.75,6.47,;7.16,4.98,;7.26,8.06,;5.62,5.03,;4.27,4.3,;6.93,4.22,;5.58,3.49,;.18,8.15,;1.65,8.62,;.66,9.61,;-.68,9.42,;-2.22,9.31,;-3.08,10.58,;-2.41,11.97,;-3.28,13.24,;-.88,12.08,;-.01,10.81,)|
BDBM382195 Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1 |r|
BDBM382198 OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM382201 CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50281849 CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r|
BDBM50461063 CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)(=N)=O |r|
BDBM50460731 CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2ccccc2Cl)cc1
BDBM50466897 Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
BDBM50466900 Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3ccccc3)ccc12
BDBM414250 CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50466375 CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
BDBM50463433 [#6][Si;v4]([#6])([#8])c1ccc(cc1)-[#7](-[#6]-[#6]-c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50463435 [#6]-[#6]-[#7](-c1ccc(cc1)[Si;v4]([#6])([#6])[#8])S(=O)(=O)c1ccccc1
BDBM50463436 [#6]-[#6]-[#6]-[#6]-[#7](-c1ccc(cc1)[Si;v4]([#6])([#6])[#8])S(=O)(=O)c1ccccc1
BDBM50463438 [#6][Si;v4]([#6])([#8])c1ccc(cc1)-[#7](-[#6]-c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50369077 CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cc(F)c1OC)C#N
BDBM50466367 CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
BDBM50466377 CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
BDBM50466382 CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
BDBM50452782 OC(c1ccc2N(CCSc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
BDBM50368990 CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2OCc2ccc(OC(F)(F)F)cc2)cc1
BDBM50368993 CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cnc1OCC(F)(F)F)C#N
BDBM50368995 CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1cc(cs1)-c1cccnc1OCc1ccc(OC(F)(F)F)cc1 |r|
BDBM50369025 CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2Oc2ccc(OC(F)(F)F)cc2)cc1
BDBM50369033 CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1
BDBM50466891 Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
BDBM50466892 O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N
BDBM50466893 Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12
BDBM50466913 CCn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12
BDBM419139 CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O |r|
BDBM438834 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)(C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
BDBM438835 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
BDBM438836 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
BDBM50502393 CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
BDBM50522994 C[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:1.10,wD:15.18,4.7,(17.83,-28.31,;16.5,-27.54,;15.16,-26.78,;15.15,-25.23,;16.49,-24.46,;17.83,-25.23,;17.83,-26.76,;16.48,-22.92,;15.15,-22.15,;17.82,-22.14,;16.51,-29.09,;17.88,-29.78,;15.22,-29.93,;13.78,-29.38,;12.82,-30.58,;13.66,-31.87,;15.14,-31.47,;12.11,-31.87,;11.34,-33.2,;9.81,-33.2,;9.04,-31.88,;9.8,-30.55,;11.34,-30.54,;7.5,-31.88,;5.96,-31.87,;6.73,-30.55,;5.19,-30.56,;7.49,-29.21,;5.94,-29.21,;6.74,-33.22,;5.2,-33.22,;7.51,-34.55,;5.95,-34.54,;14.42,-33.2,;14.41,-34.74,;13.08,-33.97,;15.96,-33.21,;16.72,-34.54,;18.26,-34.55,;19.04,-33.21,;20.58,-33.21,;18.26,-31.87,;16.72,-31.88,)|
BDBM50509328 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)Cc1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(38.9,-47.28,;37.57,-48.06,;37.57,-46.51,;36.22,-45.72,;34.88,-46.5,;33.55,-45.74,;32.22,-46.51,;32.22,-48.05,;33.55,-48.82,;34.88,-48.06,;36.22,-48.83,;36.53,-50.35,;38.08,-50.52,;38.72,-49.11,;40.23,-48.8,;40.71,-47.34,;41.25,-49.95,;42.74,-49.63,;43.77,-50.78,;43.29,-52.25,;41.78,-52.56,;40.75,-51.41,;44.31,-53.4,;43.83,-54.86,;45.82,-53.08,;35.12,-49.92,;34.02,-51.01,;33.62,-49.51,;35.5,-51.41,;34.4,-52.49,;32.93,-52.07,;31.83,-53.15,;32.21,-54.64,;33.71,-55.05,;34.8,-53.97,;30.89,-45.74,;29.55,-44.97,;29.55,-46.51,;28.22,-45.74,;29.55,-48.05,;28.21,-47.27,;30.89,-44.2,;32.22,-43.43,;29.55,-43.43,;30.88,-42.66,)|
BDBM50512498 OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
BDBM50512499 Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12
BDBM50509333 [H][C@@]12CN(C)c3cc(ccc3[C@@]1(CCN2C(=O)C1(O)CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50509334 [H][C@@]12CNc3cc(ccc3[C@@]1(CCN2C(=O)C1(O)CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50509336 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(C)c1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(65.64,-25.66,;64.32,-26.44,;64.32,-24.89,;62.97,-24.1,;61.63,-24.88,;60.3,-24.12,;58.97,-24.89,;58.97,-26.43,;60.3,-27.2,;61.63,-26.44,;62.97,-27.21,;63.28,-28.73,;64.83,-28.9,;65.47,-27.49,;66.97,-27.18,;67.46,-25.71,;68,-28.33,;69.49,-28.01,;70.52,-29.15,;70.04,-30.63,;68.53,-30.94,;67.5,-29.79,;71.06,-31.77,;70.58,-33.24,;72.57,-31.46,;61.86,-28.3,;60.77,-29.38,;60.37,-27.89,;62.25,-29.79,;61.15,-30.86,;61.54,-32.35,;63.02,-32.76,;64.12,-31.67,;65.61,-32.08,;63.73,-30.19,;57.63,-24.12,;56.29,-23.35,;56.3,-24.89,;54.97,-24.12,;56.3,-26.43,;54.96,-25.65,;57.63,-22.58,;58.97,-21.81,;56.3,-21.81,;57.62,-21.04,)|
BDBM50509338 [H][C@@]12CN(CCC)c3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:19.21,wD:22.28,1.0,13.31,(13.85,-27.45,;12.52,-28.23,;12.53,-26.67,;11.18,-25.89,;11.18,-24.35,;12.51,-23.58,;12.51,-22.04,;9.84,-26.67,;8.5,-25.91,;7.18,-26.68,;7.17,-28.22,;8.51,-28.99,;9.84,-28.22,;11.17,-29,;11.49,-30.52,;13.03,-30.69,;13.67,-29.28,;15.18,-28.96,;15.67,-27.5,;16.21,-30.11,;17.7,-29.8,;18.73,-30.94,;18.24,-32.41,;16.73,-32.72,;15.71,-31.57,;19.27,-33.56,;18.79,-35.02,;20.78,-33.25,;10.07,-30.08,;8.98,-31.17,;8.58,-29.68,;10.46,-31.57,;9.36,-32.65,;9.75,-34.14,;11.23,-34.55,;11.62,-36.04,;12.33,-33.46,;11.94,-31.98,;5.84,-25.91,;4.5,-25.14,;4.51,-26.68,;3.17,-25.91,;4.51,-28.22,;3.17,-27.44,;5.84,-24.37,;7.18,-23.6,;4.51,-23.6,;5.83,-22.83,)|
BDBM50509339 [H][C@@]12CN(CC)c3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:18.20,wD:21.27,1.0,12.30,(63.95,-6.23,;62.62,-7.01,;62.62,-5.46,;61.28,-4.67,;61.28,-3.13,;62.61,-2.36,;59.93,-5.45,;58.6,-4.69,;57.27,-5.46,;57.27,-7,;58.6,-7.77,;59.93,-7.01,;61.27,-7.78,;61.58,-9.3,;63.13,-9.47,;63.77,-8.06,;65.28,-7.75,;65.76,-6.29,;66.3,-8.9,;67.79,-8.58,;68.82,-9.73,;68.34,-11.2,;66.83,-11.51,;65.81,-10.36,;69.36,-12.35,;68.88,-13.81,;70.87,-12.03,;60.17,-8.87,;59.07,-9.96,;58.68,-8.46,;60.55,-10.36,;59.46,-11.43,;59.84,-12.92,;61.33,-13.33,;61.72,-14.82,;62.43,-12.24,;62.04,-10.76,;55.94,-4.69,;54.6,-3.92,;54.6,-5.46,;53.27,-4.69,;54.6,-7,;53.26,-6.22,;55.94,-3.15,;57.27,-2.38,;54.6,-2.38,;55.93,-1.61,)|
BDBM50515653 CC(C)(C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)cc(OC(F)F)c1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O |r|
BDBM50509331 [H][C@@]12COc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(38.73,-26.8,;37.4,-27.58,;37.4,-26.03,;36.05,-25.25,;34.71,-26.03,;33.38,-25.26,;32.05,-26.03,;32.05,-27.58,;33.38,-28.35,;34.71,-27.58,;36.05,-28.35,;36.36,-29.88,;37.91,-30.05,;38.55,-28.63,;40.06,-28.32,;40.54,-26.86,;41.08,-29.47,;42.57,-29.15,;43.6,-30.3,;43.12,-31.77,;41.61,-32.08,;40.58,-30.93,;44.14,-32.92,;43.66,-34.38,;45.65,-32.6,;34.95,-29.44,;33.85,-30.53,;33.45,-29.03,;35.33,-30.93,;34.23,-32.01,;34.62,-33.49,;36.11,-33.91,;36.49,-35.4,;37.21,-32.82,;36.81,-31.33,;30.72,-25.26,;29.38,-24.49,;29.38,-26.03,;28.05,-25.26,;29.38,-27.57,;28.04,-26.79,;30.72,-23.72,;32.05,-22.95,;29.38,-22.95,;30.71,-22.18,)|
BDBM50509332 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(C)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(64.23,-6.6,;62.9,-7.39,;62.9,-5.83,;61.56,-5.05,;60.21,-5.83,;58.88,-5.06,;57.55,-5.83,;57.55,-7.38,;58.88,-8.15,;60.21,-7.38,;61.55,-8.15,;61.86,-9.68,;63.41,-9.85,;64.05,-8.43,;65.56,-8.12,;66.04,-6.66,;66.58,-9.27,;68.07,-8.96,;69.1,-10.1,;68.62,-11.57,;67.11,-11.88,;66.09,-10.73,;69.64,-12.72,;69.16,-14.18,;71.15,-12.41,;60.45,-9.24,;59.35,-10.33,;58.96,-8.83,;60.83,-10.73,;59.74,-11.81,;60.12,-13.3,;61.61,-13.71,;62,-15.2,;62.71,-12.62,;62.32,-11.13,;56.22,-5.06,;54.88,-4.29,;54.88,-5.83,;53.55,-5.06,;54.88,-7.37,;53.54,-6.6,;56.22,-3.52,;57.55,-2.75,;54.88,-2.75,;56.21,-1.98,)|
BDBM50509335 [H][C@@]12CN(C)c3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:17.19,wD:20.26,1.0,11.29,(37.5,-6.4,;36.17,-7.18,;36.17,-5.63,;34.82,-4.84,;34.82,-3.3,;33.48,-5.62,;32.15,-4.86,;30.82,-5.63,;30.82,-7.18,;32.15,-7.95,;33.48,-7.18,;34.82,-7.95,;35.13,-9.47,;36.68,-9.65,;37.32,-8.23,;38.83,-7.92,;39.31,-6.46,;39.85,-9.07,;41.34,-8.75,;42.37,-9.9,;41.89,-11.37,;40.38,-11.68,;39.35,-10.53,;42.91,-12.52,;42.43,-13.98,;44.42,-12.2,;33.72,-9.04,;32.62,-10.13,;32.22,-8.63,;34.1,-10.53,;33,-11.6,;33.39,-13.09,;34.88,-13.5,;35.26,-14.99,;35.98,-12.42,;35.58,-10.93,;29.49,-4.86,;28.15,-4.09,;28.15,-5.63,;26.82,-4.86,;28.15,-7.17,;26.81,-6.39,;29.49,-3.32,;30.82,-2.55,;28.15,-2.55,;29.48,-1.78,)|
BDBM50512502 OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
BDBM50509340 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(Cl)c1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(39.24,-25.54,;37.91,-26.32,;37.91,-24.77,;36.57,-23.98,;35.23,-24.76,;33.89,-24,;32.56,-24.77,;32.56,-26.32,;33.89,-27.09,;35.22,-26.32,;36.56,-27.09,;36.87,-28.61,;38.42,-28.79,;39.06,-27.37,;40.57,-27.06,;41.05,-25.6,;41.59,-28.21,;43.09,-27.89,;44.11,-29.04,;43.63,-30.51,;42.12,-30.82,;41.1,-29.67,;44.65,-31.66,;44.17,-33.12,;46.16,-31.34,;35.46,-28.18,;34.36,-29.27,;33.97,-27.77,;35.84,-29.67,;34.75,-30.74,;35.13,-32.23,;36.62,-32.65,;37.72,-31.56,;39.2,-31.96,;37.33,-30.07,;31.23,-24,;29.89,-23.23,;29.89,-24.77,;28.56,-24,;29.89,-26.31,;28.55,-25.53,;31.23,-22.46,;32.56,-21.69,;29.89,-21.69,;31.22,-20.92,)|
BDBM50512491 OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
BDBM50509327 [H][C@@]12CNc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(14.49,-6.66,;13.16,-7.44,;13.16,-5.88,;11.82,-5.1,;10.48,-5.88,;9.14,-5.12,;7.81,-5.89,;7.81,-7.43,;9.15,-8.2,;10.48,-7.44,;11.81,-8.21,;12.13,-9.73,;13.67,-9.9,;14.31,-8.49,;15.82,-8.17,;16.3,-6.71,;16.84,-9.32,;18.34,-9.01,;19.36,-10.15,;18.88,-11.62,;17.37,-11.93,;16.35,-10.79,;19.91,-12.77,;19.42,-14.24,;21.41,-12.46,;10.71,-9.29,;9.61,-10.38,;9.22,-8.89,;11.1,-10.78,;10,-11.86,;10.38,-13.35,;11.87,-13.76,;12.26,-15.25,;12.97,-12.67,;12.58,-11.19,;6.48,-5.12,;5.14,-4.35,;5.15,-5.89,;3.81,-5.12,;5.15,-7.43,;3.8,-6.65,;6.48,-3.58,;7.81,-2.81,;5.15,-2.81,;6.47,-2.04,)|
BDBM50509329 [H][C@@]12COc3cc(ccc3[C@@]1(CCN2C(=O)C1(O)CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50537147 [Na;v0+].[#6]C([#6])([#6])[#6]-c1cc(no1)-c1onc(-[#6@@H](-[#6]-[#6]-[#6](-[#8-])=O)-[#6]-[#6](=O)-[#7]-c2ccc(Cl)cc2Cl)c1-[#6]-1-[#6]-[#6]-1 |r|
BDBM50509330 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(39.12,-6.49,;37.79,-7.27,;37.79,-5.71,;36.45,-4.93,;35.11,-5.71,;33.77,-4.95,;32.44,-5.72,;32.44,-7.26,;33.78,-8.03,;35.11,-7.26,;36.44,-8.04,;36.76,-9.56,;38.3,-9.73,;38.94,-8.31,;40.45,-8,;40.93,-6.54,;41.47,-9.15,;42.97,-8.84,;43.99,-9.98,;43.51,-11.45,;42,-11.76,;40.98,-10.61,;44.54,-12.6,;44.05,-14.06,;46.04,-12.29,;35.34,-9.12,;34.24,-10.21,;33.85,-8.72,;35.73,-10.61,;34.63,-11.69,;35.01,-13.18,;36.5,-13.59,;36.89,-15.08,;37.6,-12.5,;37.21,-11.02,;31.11,-4.95,;29.77,-4.18,;29.78,-5.72,;28.44,-4.95,;29.78,-7.26,;28.43,-6.48,;31.11,-3.41,;32.44,-2.64,;29.78,-2.64,;31.1,-1.87,)|
BDBM50509337 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(F)c1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,wD:19.25,1.0,10.28,(15.64,-25.66,;14.31,-26.44,;14.32,-24.88,;12.97,-24.1,;11.63,-24.88,;10.29,-24.12,;8.96,-24.89,;8.96,-26.43,;10.3,-27.2,;11.63,-26.44,;12.96,-27.21,;13.28,-28.73,;14.82,-28.9,;15.46,-27.49,;16.97,-27.17,;17.45,-25.71,;17.99,-28.33,;19.49,-28.01,;20.51,-29.15,;20.03,-30.62,;18.52,-30.94,;17.5,-29.79,;21.06,-31.77,;20.57,-33.24,;22.56,-31.46,;11.86,-28.29,;10.76,-29.38,;10.37,-27.89,;12.25,-29.78,;11.15,-30.86,;11.54,-32.35,;13.02,-32.76,;14.12,-31.67,;15.61,-32.08,;13.73,-30.19,;7.63,-24.12,;6.29,-23.35,;6.3,-24.89,;4.96,-24.12,;6.3,-26.43,;4.95,-25.65,;7.63,-22.58,;8.96,-21.81,;6.3,-21.81,;7.62,-21.04,)|
BDBM50506048 Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)|
BDBM50522995 C[C@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:1.10,4.7,wD:15.18,(41.31,-8.68,;39.98,-7.91,;41.31,-7.13,;41.31,-5.59,;39.97,-4.82,;38.63,-5.6,;38.64,-7.15,;39.97,-3.28,;38.63,-2.52,;41.3,-2.51,;39.99,-9.45,;41.36,-10.15,;38.7,-10.3,;37.26,-9.75,;36.3,-10.95,;37.14,-12.24,;38.63,-11.84,;35.59,-12.24,;34.83,-13.57,;33.29,-13.57,;32.52,-12.25,;33.28,-10.92,;34.83,-10.91,;30.98,-12.25,;29.44,-12.23,;30.21,-10.92,;28.67,-10.92,;30.97,-9.58,;29.42,-9.57,;30.22,-13.59,;28.68,-13.59,;30.99,-14.92,;29.43,-14.91,;37.9,-13.57,;37.89,-15.11,;36.56,-14.34,;39.44,-13.58,;40.21,-14.91,;41.74,-14.91,;42.52,-13.58,;44.06,-13.58,;41.74,-12.24,;40.2,-12.25,)|
BDBM50502386 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)CC(C)C)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50502387 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50502398 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)OC)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50522996 COC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:3.12,wD:17.20,6.9,(19.14,-49.19,;17.81,-48.42,;16.47,-49.19,;15.14,-48.42,;13.8,-47.66,;13.8,-46.11,;15.14,-45.33,;16.47,-46.1,;16.48,-47.64,;15.13,-43.79,;13.8,-43.03,;16.46,-43.02,;15.15,-49.96,;16.53,-50.66,;13.87,-50.81,;12.43,-50.26,;11.46,-51.46,;12.31,-52.75,;13.79,-52.35,;10.76,-52.75,;9.99,-54.08,;8.45,-54.08,;7.69,-52.76,;8.45,-51.43,;9.99,-51.42,;6.15,-52.76,;4.6,-52.75,;5.37,-51.43,;3.83,-51.43,;6.14,-50.09,;4.59,-50.08,;5.38,-54.1,;3.84,-54.1,;6.16,-55.43,;4.6,-55.42,;13.07,-54.08,;13.06,-55.62,;11.73,-54.85,;14.61,-54.09,;15.37,-55.42,;16.91,-55.42,;17.68,-54.09,;19.22,-54.09,;16.9,-52.75,;15.37,-52.76,)|
BDBM50522997 CO[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.11,wD:16.19,5.8,(85.51,-27.18,;84.17,-27.95,;82.84,-27.18,;81.5,-26.42,;81.5,-24.88,;82.83,-24.1,;84.17,-24.87,;84.18,-26.41,;82.83,-22.56,;81.49,-21.79,;84.16,-21.78,;82.85,-28.73,;84.23,-29.42,;81.56,-29.57,;80.12,-29.03,;79.16,-30.23,;80,-31.51,;81.49,-31.11,;78.46,-31.52,;77.69,-32.84,;76.15,-32.84,;75.39,-31.52,;76.15,-30.19,;77.69,-30.18,;73.85,-31.52,;72.3,-31.51,;73.07,-30.19,;71.53,-30.2,;73.84,-28.86,;72.29,-28.85,;73.08,-32.86,;71.54,-32.86,;73.85,-34.19,;72.29,-34.18,;80.76,-32.85,;80.76,-34.39,;79.43,-33.61,;82.31,-32.85,;83.07,-34.18,;84.61,-34.19,;85.38,-32.85,;86.92,-32.85,;84.6,-31.51,;83.07,-31.52,)|
BDBM50502404 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)Cc1ccnnc1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50502410 CCS(=O)(=O)c1ccc(cc1)C(N)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50524233 CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
BDBM50524247 OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
BDBM50509341 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:16.18,19.25,wD:1.0,10.28,(65.23,-46.28,;63.9,-47.07,;63.9,-45.51,;62.56,-44.73,;61.22,-45.51,;59.88,-44.74,;58.55,-45.51,;58.55,-47.06,;59.89,-47.83,;61.22,-47.06,;62.55,-47.83,;62.87,-49.36,;64.41,-49.53,;65.05,-48.11,;66.56,-47.8,;67.04,-46.34,;67.58,-48.95,;67.09,-50.41,;68.11,-51.56,;69.62,-51.25,;70.1,-49.78,;69.08,-48.64,;70.65,-52.4,;70.16,-53.86,;72.15,-52.09,;61.45,-48.92,;60.35,-50.01,;59.96,-48.51,;61.84,-50.41,;60.74,-51.49,;61.12,-52.98,;62.61,-53.39,;63,-54.88,;63.71,-52.3,;63.32,-50.81,;57.22,-44.74,;55.88,-43.97,;55.89,-45.51,;54.55,-44.74,;55.89,-47.05,;54.54,-46.28,;57.22,-43.2,;58.55,-42.43,;55.89,-42.43,;57.21,-41.66,)|
BDBM50502392 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)Cc1ccccn1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50502394 CCS(=O)(=O)c1ccc(cc1)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
BDBM441828 OC(=O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(9.34,-6.93,;9.34,-5.39,;10.67,-4.62,;8,-4.62,;6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;,-7.7,;,-9.24,;-1.33,-6.93,;-2.67,-7.7,;-2.67,-9.24,;-4,-10.01,;-4,-11.55,;-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-4,-6.93,;-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-9.34,-11.55,;-8,-12.32,;-6.67,-11.55,;-5.33,-12.32,;-5.33,-13.86,;-5.33,-15.4,;-6.87,-13.86,;-3.79,-13.86,;5.33,-7.7,;6.67,-6.93,)|
BDBM50502397 CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50502399 CCS(=O)(=O)c1ccc(cc1)C(NC(=O)CC(C)(C)O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
BDBM50536791 C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O |r|
BDBM50536794 C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O |r|
BDBM50536795 C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1 |r|
BDBM50536796 CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1 |r|
BDBM50541922 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50545540 [H][C@@]12CCc3cc(OCc4c(F)cccc4C(F)(F)F)ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,wU:23.42,29.32,1.0,wD:32.39,(35.43,-10.87,;34.11,-10.1,;34.11,-11.66,;32.76,-12.43,;31.42,-11.65,;30.04,-12.57,;28.71,-11.8,;27.38,-12.57,;26.04,-11.8,;24.71,-12.57,;24.71,-14.1,;26.05,-14.87,;23.38,-14.87,;22.04,-14.1,;22.04,-12.56,;23.38,-11.79,;23.38,-10.25,;24.72,-9.49,;22.05,-9.48,;23.37,-8.71,;28.71,-10.26,;30.04,-9.49,;31.42,-10.1,;32.77,-9.32,;32.86,-7.95,;34.36,-7.62,;35.14,-8.95,;36.67,-9.11,;37.57,-7.86,;37.3,-10.51,;38.83,-10.66,;39.46,-12.07,;38.56,-13.32,;37.03,-13.16,;36.4,-11.76,;39.18,-14.73,;38.28,-15.97,;40.72,-14.89,;31.61,-8.38,;30.27,-9.14,;30.28,-7.6,;32.01,-6.89,;33.49,-6.5,;33.89,-5.01,;32.8,-3.92,;33.2,-2.44,;31.31,-4.33,;30.92,-5.81,)|
BDBM50545542 [H][C@@]12CCc3cc(OCc4c(F)cccc4C(F)(F)F)ccc3[C@@]1(CCN2C(=O)[C@@]1(C)CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,wU:33.40,1.0,23.43,wD:29.32,(25.68,-18.35,;24.36,-17.58,;24.36,-19.14,;23.01,-19.91,;21.68,-19.13,;20.3,-20.06,;18.97,-19.29,;17.63,-20.06,;16.29,-19.28,;14.96,-20.06,;14.96,-21.59,;16.3,-22.35,;13.64,-22.36,;12.3,-21.59,;12.3,-20.05,;13.63,-19.28,;13.64,-17.74,;12.3,-16.97,;14.97,-16.98,;13.63,-16.2,;18.97,-17.74,;20.29,-16.98,;21.68,-17.58,;23.02,-16.8,;23.11,-15.44,;24.61,-15.11,;25.39,-16.44,;26.92,-16.59,;27.82,-15.35,;27.55,-18,;28.3,-16.66,;26.65,-19.24,;27.27,-20.64,;28.8,-20.8,;29.71,-19.56,;29.08,-18.14,;29.43,-22.21,;28.52,-23.46,;30.96,-22.37,;21.86,-15.87,;20.53,-15.09,;20.53,-16.63,;22.26,-14.38,;23.75,-13.99,;24.14,-12.51,;23.06,-11.41,;23.46,-9.92,;21.56,-11.82,;21.17,-13.3,)|
BDBM498074 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
BDBM498076 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(Cc5ccc(cc5F)-c5ncon5)CC4)c3s2)nc1 |r|
BDBM498077 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)cc1
BDBM498078 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)nc1
BDBM498079 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(s4)C(F)(F)F)c3s2)nc1 |r|
BDBM498080 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r|
BDBM498081 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4C)C(F)(F)F)c3s2)cc1 |r|
BDBM498082 CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4C)C(F)(F)F)c3s2)nc1 |r|
BDBM510665 C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(=O)CC#N)c1ccc(F)cc1 |r|
BDBM50548025 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50557809 [H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50553584 [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50572805 [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C[C@H](OC)[C@H](O)[C@@]13O2 |r,t:17|
BDBM50572806 [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C[C@H](OC)[C@H](OC(=O)CCCC[C@@H]4SC[C@]5([H])NC(=O)N[C@]45[H])[C@@]13O2 |r,t:17|
BDBM50572221 OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
BDBM50575029 CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O |r|
BDBM50570328 [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2N[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
CHEMBL5280788 [H][C@]12CN(CCN1C(=O)C(C)C)Cc1cccc(NS(=O)(=O)CCCCC2)c1C |r|