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1337 SMILES Strings for Bcl-2-like protein 1

Compound NameSMILES String
BDBM13337 Nc1ncccc1OCc1ccccc1
BDBM21400 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
BDBM21401 COC1(Cc2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21402 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](N=[O+]2)c2ccccc2)CC1 |c:45|
BDBM21403 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](Cc3ccccc3)N=[O+]2)CC1 |c:53|
BDBM21404 CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O |r|
BDBM21405 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(F)cc1 |r|
BDBM21406 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1 |r|
BDBM21407 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1 |r|
BDBM21408 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |r|
BDBM21409 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1 |r|
BDBM21410 COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21411 COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21412 CCCCC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
BDBM21413 COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21414 COC1(Cc2ccccc2Cl)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21415 COC1(Cc2cccc(Cl)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21416 COC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21417 COC1(Cc2ccccc2F)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21418 COC1(Cc2ccccc2C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21419 COc1ccccc1CC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
BDBM21420 COC1(Cc2ccccc2Br)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21421 COC1(Cc2ccccc2-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21422 COC1(Cc2ccc(cc2)-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21423 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1F |r|
BDBM21424 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1Cl |r|
BDBM21425 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r|
BDBM21426 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r|
BDBM21427 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)C(F)(F)F |r|
BDBM21428 [#6]-[#8]-c1ccccc1\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=O)-[#7]S(=O)(=O)c1ccc(-[#7]-[#6@H](-[#6]-[#6]-[#7](-[#6])-[#6])-[#6]-[#16]-c2ccccc2)c(c1)-[#7+](-[#8-])=O |r|
BDBM21429 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C#N |r|
BDBM21430 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccn1 |r|
BDBM21431 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1cccnc1 |r|
BDBM21432 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1-c1ccccc1 |r|
BDBM21433 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1 |r|
BDBM21434 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 |r|
BDBM21435 COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21436 CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21437 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1 |r|
BDBM21438 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1 |r|
BDBM21439 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 |r|
BDBM21440 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1 |r|
BDBM21441 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1 |r|
BDBM21442 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1 |r|
BDBM21443 COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21444 COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM21445 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1 |r|
BDBM21446 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1 |r|
BDBM21447 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM21448 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1 |r|
BDBM21449 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1 |r|
BDBM21450 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)C(F)(F)F)CC1 |r|
BDBM21451 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)S(C)(=O)=O)CC1 |r|
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM25531 C[n+]1cc2c3OC(C)(C)Oc3ccc2c2ccccc12
BDBM25534 CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1
BDBM25535 COc1ccc2c(c[n+](C)c3ccc(CO)cc23)c1OC
BDBM25536 C[n+]1cc2c3OCOc3ccc2c2cc(CO)ccc12
BDBM25537 C[n+]1cc2c3OCOc3ccc2c2cc(CCO)ccc12
BDBM25538 COCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
BDBM25539 COCCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
BDBM25526 COc1ccc2c(cnc3ccccc23)c1OC
BDBM25527 C1Oc2ccc3c(cnc4ccccc34)c2O1
BDBM25528 CC1(C)Oc2ccc3c(cnc4ccccc34)c2O1
BDBM25529 COc1ccc2c(c[n+](C)c3ccccc23)c1OC
BDBM25530 C[n+]1cc2c3OCOc3ccc2c2ccccc12
BDBM25532 COc1ccc2c(c[n+]([O-])c3ccccc23)c1OC
BDBM25533 [O-][n+]1cc2c3OCOc3ccc2c2ccccc12
BDBM25524 COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
BDBM25525 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
BDBM25540 Cn1cc2c(ccc(O)c2=[OH+])c2ccccc12
BDBM25541 Cn1cc2c(ccc(O)c2=[OH+])c2cc(CO)ccc12
BDBM25542 Cn1cc2c(ccc(O)c2=[OH+])c2cc(CCO)ccc12
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM29679 Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM29680 COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
BDBM31802 CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31803 Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31804 Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31805 Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31806 Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;.37,-1.08,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;9.7,13.55,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31807 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
BDBM31808 Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)|
BDBM31809 CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
BDBM31765 Cc1cc(NC(=O)Cc2cccs2)no1
BDBM31810 CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
BDBM31811 Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
BDBM31700 COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
BDBM31750 CSc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM31752 CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
BDBM31755 C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
BDBM31389 COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
BDBM31409 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C
BDBM31410 CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
BDBM31411 CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1
BDBM31412 Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
BDBM31413 Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(CCC(O)=O)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
BDBM31414 COC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccc(OCC(=O)OC)cc1
BDBM31415 COC(=O)CCc1ccc(c(CC(C)C)c1)-c1ccc(-c2ccc(OCC(=O)OC)c(CC(C)C)c2)c(c1)C(C)C
BDBM31416 CC(C)Cc1cc(ccc1OCC[NH3+])-c1ccc(cc1C(C)C)-c1ccc(CCC[NH3+])cc1CC(C)C
BDBM31417 Cc1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
BDBM31418 CC(C)c1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
BDBM31419 CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C
BDBM31420 CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C
BDBM31421 CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C
BDBM31422 OC(=O)COc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
BDBM31373 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
BDBM31374 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
BDBM31375 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
BDBM31376 COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r|
BDBM31377 COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
BDBM31378 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
BDBM31379 COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
BDBM31380 COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r|
BDBM31381 CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
BDBM31382 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C |r|
BDBM31383 CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
BDBM31384 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C(C)C)C(C)C |r|
BDBM31385 CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
BDBM31386 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
BDBM31387 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
BDBM31388 CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r|
BDBM31390 CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r|
BDBM31391 CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r|
BDBM31392 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
BDBM31393 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
BDBM31394 COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C)C(C)C |r|
BDBM31395 CC(C)Oc1cc(ccc1C(=O)N[C@@H](C)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
BDBM31396 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1)C(O)=O |r|
BDBM31397 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1 |r|
BDBM31398 CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
BDBM31399 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C)C(O)=O)C(O)=O |r|
BDBM31400 CC(C)C[C@H](NC(=O)c1ccc(cc1O)C(=O)NCC(O)=O)C(O)=O |r|
BDBM31401 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C(C)C)C(O)=O)C(O)=O |r|
BDBM31402 CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O |r|
BDBM31403 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM31404 CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccc3ccccc3c2)c1)C(O)=O |r|
BDBM31405 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM31406 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C
BDBM31407 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C
BDBM31408 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C
BDBM34278 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
BDBM34138 Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
BDBM34716 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
BDBM34809 Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|
BDBM34475 Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
BDBM38238 CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
BDBM41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
BDBM41518 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
BDBM41073 Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
BDBM40694 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
BDBM40586 CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
BDBM40627 CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
BDBM40631 COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
BDBM40599 Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
BDBM40603 Clc1ccc(SCC(=O)c2ccco2)cc1
BDBM40234 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
BDBM42125 Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
BDBM42027 COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
BDBM41892 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
BDBM42232 CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
BDBM46236 Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
BDBM48611 COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
BDBM48460 O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
BDBM48428 Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
BDBM48853 COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
BDBM48888 O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
BDBM48798 COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
BDBM30708 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
BDBM51308 Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
BDBM50115 Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
BDBM50301 [O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
BDBM50304 [O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
BDBM50230 [O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
BDBM50280 Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
BDBM50654 Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
BDBM50447 [O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
BDBM50587 O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
BDBM50705 Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O |w:6.6,12.13|
BDBM50711 COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
BDBM50726 OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 |w:15.17|
BDBM50667 [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
BDBM50381 OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
BDBM50675 O=c1n(Cc2ccco2)c(=S)[nH]c2sc3CCCc3c12
BDBM49131 Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
BDBM49153 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
BDBM53191 Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|
BDBM53267 OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
BDBM53290 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
BDBM53342 O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
BDBM52889 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|
BDBM52950 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:11,30,t:9|
BDBM52965 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
BDBM53108 COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
BDBM51766 COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
BDBM51789 OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
BDBM54975 COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
BDBM55161 CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
BDBM55000 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
BDBM55001 Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
BDBM54963 CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
BDBM55007 COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
BDBM53907 Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
BDBM60859 Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
BDBM60527 Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
BDBM60948 OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
BDBM60839 OC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:18|
BDBM61855 [#8]-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
BDBM61857 Oc1c(cc(CN2CCCC2)c2cccnc12)[N+]([O-])=O
BDBM61869 Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2o1
BDBM61870 O=Cc1cccc(OC(=O)\C=C\c2ccco2)c1
BDBM61872 Clc1cccc(c1)C1Nc2cccc3cccc(N1)c23
BDBM61876 [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
BDBM61858 OC(=O)c1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1
BDBM61859 Oc1c(CC=C)cccc1C=NNC(=O)CNc1cccc2ccccc12 |w:11.12|
BDBM61860 O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
BDBM61861 CNc1ccccc(C(=O)\C=C\c2ccccc2OC)c1=O
BDBM61862 Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2ccncc2)cc1
BDBM61863 CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
BDBM61864 COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1O |w:8.8|
BDBM61865 Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
BDBM61866 Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
BDBM61867 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
BDBM61868 Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
BDBM61871 Cc1ccc(cc1C)-c1csc2ncn(CC#N)c(=O)c12
BDBM61873 CCOC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2cc(ccc12)C(F)(F)F
BDBM61874 COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
BDBM61875 C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C1CC1c1ccccc1
BDBM61849 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
BDBM61850 Clc1cccc(c1)-n1nc(cc1C(=O)N1CCCCC1)-c1ccco1
BDBM61851 COc1cc(NC(=O)c2noc3CCCc23)c(OC)cc1Cl
BDBM61852 O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccco1
BDBM61853 Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
BDBM61854 Nc1ccc(cc1)C(=O)NN=Cc1cc(ccc1O)N=Nc1cccc2ccccc12 |w:20.22,10.10|
BDBM61877 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
BDBM61878 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
BDBM61856 [H]C12CCC(C)(C(=O)N(NC(=O)c3ccccc3O)C1=O)C2(C)C |TLB:7:6:21:3.2,THB:20:19:21:3.2|
BDBM61879 OC(=O)CN1C(=S)S\C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+]([O-])=O)C1=O
BDBM61880 Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
BDBM61881 CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
BDBM61882 CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 |w:2.2|
BDBM61883 Oc1cc(O)cc(c1)C(=O)NN=Cc1ccoc1
BDBM61884 Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
BDBM61885 Brc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1
BDBM61886 Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
BDBM61887 CC1(CCS(=O)(=O)C1)NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM61888 Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
BDBM61889 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
BDBM61890 CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
BDBM61891 Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
BDBM61892 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
BDBM61893 COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
BDBM61894 CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
BDBM61895 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
BDBM61896 Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM61897 CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
BDBM61898 COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
BDBM61899 Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
BDBM61900 OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
BDBM61901 Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O
BDBM61251 Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
BDBM85273 Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
BDBM37534 CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
BDBM109232 OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM109233 OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
BDBM50024671 CCSCCCCC(c1ccc(O)cc1)C(C)(CC)c1ccc(O)cc1
BDBM50060993 OC(=O)c1ccc(cc1)-c1ccc(F)cc1
BDBM50088360 Oc1cc2cccc(O)c(=O)c2c(O)c1O
BDBM50107130 CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50133356 COc1c(O)cc2cccc(OC)c(=O)c2c1OC
BDBM50133357 OC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
BDBM50133358 COc1cc2cccc(OC)c(=O)c2c(OC)c1OC
BDBM50133353 CCOC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
BDBM50133355 COC(=O)c1cc(O)c(=O)c2cc(O)c(O)cc2c1
BDBM50141117 CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1cccc2ccccc12)C(=O)N(C(C)C)C(C)C)C(O)=O
BDBM50141118 COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)c1ccccc1
BDBM50141119 CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2cccc3ccccc23)c1)C(O)=O
BDBM50141120 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C(C)C)C(O)=O)C(O)=O
BDBM50141121 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C)C(O)=O)C(O)=O
BDBM50141122 CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O
BDBM50149218 OC(=O)c1cc2ccccc2s1
BDBM50149240 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](\c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50149242 CN(C)CC\C=C(\c1ccc(Cl)cc1)c1ccc(CCCc2ccc(cc2)C(=C\CCN(C)C)\c2ccc(Cl)cc2)cc1
BDBM209225 Cc1[nH]c(C#N)c(CC2CCCCC2)c1-c1ccc(nc1C(=O)NS(C)(=O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(7.93,2.6,;7.3,4.01,;8.07,5.35,;7.04,6.49,;7.36,8,;7.68,9.5,;5.63,5.86,;4.3,6.63,;4.3,8.17,;2.96,8.94,;2.96,10.48,;4.3,11.25,;5.63,10.48,;5.63,8.94,;5.79,4.33,;4.65,3.3,;5.42,1.97,;4.65,.63,;3.11,.63,;2.34,1.97,;3.11,3.3,;2.34,4.64,;.8,4.64,;3.11,5.97,;2.34,7.3,;1.57,8.64,;1,6.53,;3.67,8.07,;2.34,-.7,;.8,-.7,;.03,-2.03,;.8,-3.37,;.03,-4.7,;.8,-6.03,;2.34,-6.03,;3.11,-4.7,;4.65,-4.7,;5.42,-3.37,;5.42,-6.03,;6.96,-6.03,;7.86,-4.79,;9.33,-5.26,;10.66,-4.49,;12,-5.26,;12,-6.8,;10.66,-7.57,;9.33,-6.8,;7.86,-7.28,;2.34,-3.37,;3.11,-2.03,)|
BDBM50172738 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50181867 CN(C)CC[C@@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
BDBM50181868 COc1cc(CCCO)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181869 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181870 COc1cc(CCCN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181871 CN(C)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181872 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181873 CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181874 COc1cc(CCC(=O)N2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181875 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181876 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
BDBM50181877 CN(C)CCCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
BDBM50181878 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181879 COc1cc(CC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181880 CN(C)CCC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
BDBM50181881 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181882 COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O
BDBM50181883 COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181884 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCOCC1
BDBM50181885 CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
BDBM50181886 COc1cc(CN(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181887 CC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50181888 CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
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BDBM50259495 CN(C)CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259496 CN(C)CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259497 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@H]([C@@H]1C(=O)NCCN1CCCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259498 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@@H]([C@H]1C(=O)NCCN1CCCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259499 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@H]([C@@H]1C(=O)NCCCN1CCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259500 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@@H]([C@H]1C(=O)NCCCN1CCCC1)N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259501 COCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259502 COCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(c(s1)-c1ccccc1)-c1ccc(Cl)cc1 |r|
BDBM50259503 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@H]2N(CC2CCCCC2)[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 |r|
BDBM50259504 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@H]2N(CC2CCCCC2)[C@H]1C(=O)NC1Cc2ccccc2C1 |r|
BDBM50259505 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@H]2N(CC2CCCCC2)[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 |r|
BDBM50259506 OC[C@@H]1[C@H]2Cn3c(cccc3=O)[C@H]2N(CC2CCCCC2)[C@H]1C(=O)NCc1ccc(Oc2ccccc2)cc1 |r|
BDBM50259507 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@@H]2N(Cc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 |r|
BDBM50259508 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@@H]2N(Cc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50259509 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@@H]2N(Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 |r|
BDBM50259510 OC[C@H]1[C@@H]2Cn3c(cccc3=O)[C@@H]2N(Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C(=O)N1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50293169 C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3 |r,c:7,19,36|
BDBM50293170 C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)C(O)C1=C2C(=O)C(=O)C(C)C1=O |r,c:14,27|
BDBM50293171 C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4 |r,c:7,18,33|
BDBM50293172 C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC(C)(C)O4 |r,c:7,18,33|
BDBM50270875 Oc1cccc2CCCCc12
BDBM50270877 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
BDBM50295298 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)[C@]([#6])([#6]-[#8])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
BDBM50295299 C[C@@H]1O[C@@H](O[C@H]2C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6C[C@@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]23C)[C@H](O)[C@H](O)[C@H]1O |r,t:26|
BDBM50295300 C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
BDBM50295301 C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r,t:24|
BDBM50295302 CC(=O)OC[C@]1(C)[C@H](C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |r,t:22|
BDBM50295303 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@H]2C1 |r,c:14|
BDBM50295304 C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r,t:23|
BDBM50295305 C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r,t:23|
BDBM50295306 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)[C@H]2C1 |r,c:14|
BDBM50295307 C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |r,t:24|
BDBM50295162 C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,wD:8.7,15.15,28.33,c:13,31,(.38,-9.24,;.38,-7.7,;1.72,-6.94,;3.05,-7.71,;4.39,-6.94,;5.72,-7.71,;7.05,-6.94,;5.72,-9.25,;-.95,-6.93,;-2.28,-7.7,;-3.61,-6.93,;-4.95,-7.7,;-6.28,-6.93,;-7.62,-7.69,;-6.28,-5.39,;-4.94,-4.62,;-4.94,-3.08,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,-.01,;-7.61,1.53,;-6.28,2.31,;-4.95,1.53,;-4.95,-.01,;-6.28,3.85,;-4.95,4.61,;-7.62,4.61,;-3.61,-5.39,;-2.28,-4.62,;-.95,-5.39,;-3.21,-3.9,;-1.78,-3.31,;-4.43,-2.95,)|
BDBM50295163 C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,15.15,wD:8.7,28.33,c:13,31,(20.71,-9.08,;20.71,-7.54,;22.05,-6.77,;23.38,-7.54,;24.72,-6.78,;26.05,-7.55,;27.38,-6.78,;26.05,-9.09,;19.38,-6.77,;18.05,-7.53,;16.72,-6.77,;15.38,-7.54,;14.05,-6.76,;12.71,-7.53,;14.05,-5.23,;15.39,-4.46,;15.39,-2.92,;14.05,-2.15,;12.72,-2.92,;14.05,-.61,;12.72,.16,;12.72,1.7,;14.05,2.47,;15.38,1.7,;15.38,.16,;14.05,4.01,;15.38,4.78,;12.72,4.78,;16.72,-5.23,;18.05,-4.45,;19.38,-5.23,;17.12,-3.73,;18.61,-3.33,;16.02,-2.64,)|
BDBM50295308 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@H](C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
BDBM50295309 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@H](C[C@H](O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
BDBM50295310 C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
BDBM50295311 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
BDBM50303406 Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
BDBM50297392 CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
BDBM50297393 CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1cc(OC)cc(OC)c1
BDBM50308110 COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
BDBM50308111 COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
BDBM50308551 Oc1ccccc1-c1ccccc1
BDBM50316671 C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|
BDBM50316672 C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:1.0,wD:30.32,(19.56,-.32,;20.34,-1.65,;21.88,-1.63,;22.64,-.3,;24.18,-.29,;24.96,-1.61,;24.94,1.05,;24.16,2.37,;22.62,2.36,;24.91,3.71,;24.13,5.04,;26.46,3.73,;27.24,2.4,;28.76,2.41,;29.52,3.75,;29.54,1.1,;28.79,-.25,;29.56,-1.58,;27.25,-.26,;26.48,1.07,;31.08,1.1,;31.86,-.23,;31.1,-1.56,;33.4,-.21,;34.16,1.14,;35.7,1.15,;36.49,-.17,;35.73,-1.51,;38.03,-.15,;38.81,-1.47,;40.35,-1.45,;41.11,-.11,;41.14,-2.78,;40.38,-4.11,;41.17,-5.44,;42.71,-5.42,;43.46,-4.07,;42.68,-2.75,;36.45,2.5,;37.99,2.53,;35.65,3.83,;36.4,5.18,;34.12,3.8,;33.37,2.47,;31.83,2.44,;31.05,3.76,;19.58,-2.99,;18.04,-3,;17.27,-4.33,;18.05,-5.67,;19.59,-5.66,;20.36,-4.32,)|
BDBM50321033 C[C@]12CCC[C@](C)([C@@H]1CC[C@]13C[C@@H]4[C@H](C[C@@H]21)[C@]4(CO)C3)C(O)=O |r|
BDBM50321034 C[C@]1(O)C[C@@]23C[C@H]1C=C[C@@H]2[C@@]1(C)CCC[C@](C)([C@@H]1CC3)C(O)=O |r,c:8|
BDBM50321035 C[C@@]12C[C@@]34C[C@@H]1[C@@H]2C[C@H]3[C@@]1(C)CCC[C@](C)([C@@H]1CC4)C(O)=O |r|
BDBM50318189 COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318190 COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318191 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1 |t:17,19|
BDBM50318192 COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318193 COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318194 CCOC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4OC)n3c2=O)c1 |t:15,17|
BDBM50318195 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccccc4OCC(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318196 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(OCC(O)=O)cc4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318197 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(\C=C\C(O)=O)cc4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318198 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318199 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318200 COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
BDBM50318201 OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)c1 |t:13,15|
BDBM50318202 OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)c1 |t:13,15|
BDBM50318203 OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)c1 |t:13,15|
BDBM50318204 OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)c1 |t:13,15|
BDBM50318205 COC1CC2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n3C2c2ccccc2OC)c2ccccc12 |t:4,6|
BDBM50318206 COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OCc3ccccc3)cc1CC2 |c:10,t:12|
BDBM50318207 COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OC(=O)c3ccccc3-c3ccccc3)cc1CC2 |c:10,t:12|
BDBM50318208 OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)c1 |t:13,15|
BDBM50318209 COc1ccccc1C1C=C(N=c2s\c(=C/c3cccc(OCC(O)=O)c3)c(=O)n12)c1ccccc1 |c:10,t:12|
BDBM50318210 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)o1 |t:17,19|
BDBM50318211 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4F)n3c2=O)o1 |t:17,19|
BDBM50318212 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccc(F)cc4)n3c2=O)o1 |t:17,19|
BDBM50318213 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(c4)[N+]([O-])=O)n3c2=O)o1 |t:17,19|
BDBM50318214 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)o1 |t:17,19|
BDBM50318215 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)o1 |t:17,19|
BDBM50318216 COC1CC2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n3C2c2cccc(F)c2)c2ccccc12 |t:4,6|
BDBM50318217 OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)o1 |t:17,19|
BDBM50318218 CC(C)C(C1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O |w:9.9|
BDBM50339777 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339778 [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339779 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339780 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50339781 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47|
BDBM50339782 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
BDBM50339783 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51|
BDBM50339775 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)-c1ccc(F)cc1
BDBM50339776 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)S(=O)(=O)C(F)(F)F)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
BDBM50330252 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC5CCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CC2CCCC2)c1O |w:34.38,17.17,(-10.24,1.31,;-8.91,.55,;-7.57,1.33,;-6.23,.55,;-4.9,1.33,;-4.9,2.87,;-3.55,.55,;-2.22,1.32,;-.89,.54,;-.89,-1,;.44,1.3,;1.76,.52,;3.11,1.27,;4.43,.49,;3.12,2.82,;4.47,3.58,;1.79,3.61,;1.8,5.15,;3.14,5.91,;4.38,5,;5.63,5.9,;5.16,7.36,;3.62,7.37,;.45,2.85,;-.88,3.62,;-.88,5.16,;-2.22,2.85,;-3.56,3.62,;-3.55,-1,;-2.22,-1.77,;-4.89,-1.77,;-4.89,-3.31,;-6.23,-1,;-7.57,-1.77,;-7.57,-3.31,;-8.91,-4.08,;-10.18,-3.19,;-11.41,-4.12,;-10.91,-5.57,;-9.37,-5.55,;-8.91,-1,;-10.24,-1.77,)|
BDBM50330253 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCC5CCCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CCC2CCCCC2)c1O |w:36.40,17.17,(6.04,-1.44,;7.37,-2.21,;8.7,-1.43,;10.04,-2.21,;11.38,-1.43,;11.37,.11,;12.72,-2.2,;14.05,-1.44,;15.39,-2.21,;15.38,-3.75,;16.71,-1.45,;18.03,-2.23,;19.38,-1.48,;20.7,-2.26,;19.39,.07,;20.73,.82,;18.06,.86,;18.07,2.4,;19.41,3.15,;19.42,4.69,;20.78,5.44,;20.79,6.98,;19.47,7.76,;18.13,7.01,;18.11,5.47,;16.72,.09,;15.39,.87,;15.39,2.4,;14.05,.1,;12.72,.87,;12.72,-3.75,;14.05,-4.52,;11.38,-4.52,;11.38,-6.06,;10.05,-3.75,;8.7,-4.52,;8.7,-6.06,;7.36,-6.83,;7.36,-8.37,;6.03,-9.13,;6.02,-10.66,;7.35,-11.44,;8.69,-10.68,;8.7,-9.13,;7.37,-3.75,;6.04,-4.52,)|
BDBM50330254 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
BDBM50330255 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)|
BDBM50330256 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)|
BDBM50330257 CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O |c:27,t:1|
BDBM50330258 CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1 |c:23,t:15|
BDBM50330247 CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |(3.81,-6.1,;2.48,-6.86,;1.15,-6.08,;2.46,-8.4,;3.8,-9.19,;5.14,-8.43,;3.78,-10.73,;5.1,-11.52,;2.43,-11.49,;1.11,-10.71,;-.21,-11.46,;-.21,-13,;-1.54,-10.69,;-2.88,-11.46,;-4.22,-10.68,;-4.22,-9.14,;-5.55,-11.46,;-6.89,-10.68,;-8.22,-11.46,;-9.55,-10.69,;-8.22,-13.01,;-9.55,-13.78,;-6.89,-13.78,;-6.89,-15.31,;-8.22,-16.08,;-5.56,-16.08,;-5.55,-13.01,;-4.21,-13.77,;-4.21,-15.31,;-2.87,-13,;-1.54,-13.77,;-1.55,-9.16,;-2.88,-8.39,;-.21,-8.39,;-.2,-6.85,;1.13,-9.16,)|
BDBM50330248 CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12 |w:3.2,24.24,(18.99,-45.93,;18.99,-44.39,;17.66,-43.62,;20.32,-43.62,;20.33,-42.08,;18.99,-41.31,;17.66,-42.08,;18.99,-39.76,;17.66,-39,;20.33,-38.98,;21.67,-39.76,;23,-38.98,;23,-37.44,;24.34,-39.76,;25.68,-38.99,;27.01,-39.77,;27.01,-41.31,;28.33,-39.01,;29.66,-39.79,;31.01,-39.04,;32.33,-39.82,;31.02,-37.49,;32.36,-36.73,;29.69,-36.7,;29.7,-35.16,;31.04,-34.4,;31.05,-32.86,;32.37,-35.18,;28.35,-37.46,;27.01,-36.69,;27.02,-35.15,;25.67,-37.46,;24.34,-36.69,;24.35,-41.31,;25.68,-42.08,;23,-42.08,;23,-43.62,;21.67,-41.31,)|
BDBM50330249 Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1 |w:27.27,6.5,(2.55,-7.81,;2.53,-9.35,;3.86,-10.13,;3.85,-11.67,;2.51,-12.42,;2.49,-13.96,;1.15,-14.72,;1.14,-16.26,;2.47,-17.05,;3.81,-16.3,;2.46,-18.6,;3.78,-19.38,;1.11,-19.35,;-.21,-18.57,;-1.54,-19.33,;-1.54,-20.87,;-2.87,-18.56,;-4.2,-19.32,;-5.55,-18.54,;-5.55,-17.01,;-6.88,-19.33,;-8.22,-18.55,;-9.56,-19.33,;-10.89,-18.56,;-9.56,-20.87,;-10.89,-21.64,;-8.22,-21.64,;-8.22,-23.18,;-9.56,-23.95,;-9.56,-25.49,;-10.9,-26.25,;-10.9,-27.79,;-9.57,-28.56,;-9.57,-30.1,;-8.23,-27.79,;-8.23,-26.25,;-6.88,-20.87,;-5.54,-21.64,;-5.54,-23.18,;-4.2,-20.87,;-2.87,-21.64,;-2.87,-17.02,;-4.21,-16.25,;-1.53,-16.25,;-1.53,-14.71,;-.2,-17.03,;1.18,-11.65,;1.19,-10.11,)|
BDBM50330250 Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
BDBM50329370 CN(C)CCCC(O)(c1ccccc1)c1ccccc1
BDBM50330251 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1 |c:28,t:20|
BDBM50337674 Nc1ccc(Cl)c(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
BDBM50337675 Oc1cccc(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
BDBM50337676 C(N1CCN(CC1)c1ncc(Cc2ccccc2)cn1)c1ccccc1-c1cn[nH]c1
BDBM50336576 O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
BDBM50336580 CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
BDBM50336585 COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
BDBM50336590 Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
BDBM209055 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50329368 CN(C)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50329369 CN(C)CCCC(O)(c1ccccc1)c1ccc(Cl)cc1
BDBM50329371 CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
BDBM50352166 O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
BDBM50352167 O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
BDBM50352168 O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1-c1ccccc1
BDBM50352169 Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352170 Clc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352171 Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352172 O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
BDBM50352173 Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352174 Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352175 Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
BDBM50352176 O=C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
BDBM50352177 FC(F)(F)c1ccc(cc1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352178 Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352179 Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
BDBM50352180 Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352181 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
BDBM50352182 O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
BDBM50352199 OC(=O)c1ccccc1N1CCCCC1
BDBM50352183 Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352184 Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)nc1
BDBM50352185 Clc1cccc(c1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352186 Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352187 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352188 COc1ccc(cc1OC)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
BDBM50352189 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50352190 CCCCOc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
BDBM50352191 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
BDBM50352192 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1
BDBM50352193 COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
BDBM50352194 Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
BDBM50352195 [O-][N+](=O)c1cccc(Cl)c1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
BDBM50352196 FC(F)(F)c1cc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
BDBM50352197 Fc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
BDBM50352198 CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
BDBM50357751 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
BDBM50357752 C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357753 C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357754 CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357755 CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357756 CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50357757 CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:118.121,99.100,85.91,62.71,47.54,30.34,8.15,127.129,141.143,161.164,174.177,191.195,204.208,wD:104.117,94.95,74.82,38.43,19.26,4.4,133.135,150.152,180.183,(18.31,-39.34,;16.98,-38.56,;17,-37.02,;15.66,-36.24,;15.68,-34.69,;14.35,-33.92,;13.01,-34.68,;13,-36.22,;11.68,-33.89,;11.69,-32.35,;13.03,-31.59,;13.04,-30.05,;14.38,-29.29,;14.39,-27.75,;13.06,-26.98,;15.73,-26.99,;10.34,-34.65,;9.02,-33.88,;9.02,-32.34,;7.67,-34.64,;7.66,-36.18,;8.99,-36.95,;8.98,-38.5,;10.31,-39.28,;10.3,-40.82,;8.96,-41.58,;11.63,-41.6,;6.34,-33.86,;5.01,-34.62,;4.99,-36.16,;3.67,-33.84,;3.69,-32.3,;5.02,-31.54,;5.04,-30,;6.36,-32.32,;2.33,-34.6,;1.01,-33.82,;1.02,-32.28,;-.33,-34.58,;-.34,-36.13,;.99,-36.9,;.97,-38.44,;-.36,-39.2,;2.3,-39.22,;-1.66,-33.8,;-3,-34.56,;-3.01,-36.11,;-4.33,-33.78,;-4.32,-32.24,;-2.98,-31.48,;-2.97,-29.94,;-1.62,-29.18,;-1.62,-27.64,;-2.94,-26.86,;-.28,-26.88,;-5.66,-34.54,;-7,-33.77,;-6.98,-32.23,;-8.34,-34.53,;-9.66,-33.75,;-11,-34.51,;-11.01,-36.05,;-12.33,-33.73,;-12.32,-32.19,;-10.98,-31.43,;-9.65,-32.21,;-8.31,-31.45,;-8.31,-29.9,;-6.96,-29.15,;-9.63,-29.13,;-10.97,-29.89,;-13.68,-34.49,;-15.01,-33.71,;-15,-32.17,;-16.34,-34.47,;-16.35,-36.01,;-15.03,-36.79,;-15.04,-38.33,;-13.71,-39.11,;-13.72,-40.65,;-15.05,-41.42,;-12.4,-41.43,;-17.69,-33.69,;-19.02,-34.45,;-19.02,-35.99,;-20.34,-33.67,;-20.33,-32.13,;-19,-31.37,;-18.99,-29.83,;-20.31,-29.06,;-17.64,-29.07,;-21.67,-34.43,;-23.02,-33.66,;-23,-32.12,;-24.35,-34.42,;-24.37,-35.96,;-25.67,-33.63,;-27.02,-34.39,;-27.02,-35.94,;-28.35,-33.62,;-28.34,-32.08,;-29.68,-34.38,;-31.01,-33.6,;-30.99,-32.06,;-32.34,-34.36,;-32.36,-35.9,;-31.04,-36.68,;-29.78,-35.79,;-28.54,-36.7,;-29.03,-38.17,;-28.27,-39.51,;-29.06,-40.83,;-30.6,-40.82,;-31.35,-39.48,;-30.58,-38.15,;-33.68,-33.58,;-35.02,-34.34,;-35.03,-35.88,;-36.34,-33.56,;-37.69,-34.32,;-36.34,-32.03,;-35,-31.26,;-34.98,-29.72,;-33.66,-32.04,;17.02,-33.93,;17.03,-32.39,;18.34,-34.71,;19.69,-33.95,;19.69,-32.41,;21.03,-31.66,;21.01,-34.73,;21,-36.27,;22.35,-33.97,;23.69,-34.75,;23.67,-36.29,;25,-37.07,;26.33,-36.31,;24.99,-38.61,;25.02,-33.99,;25.03,-32.45,;26.35,-34.76,;27.69,-34,;27.7,-32.46,;29.04,-31.7,;29.05,-30.16,;27.72,-29.39,;30.39,-29.4,;29.01,-34.79,;29.01,-36.33,;30.36,-34.03,;31.68,-34.8,;31.67,-36.35,;33.01,-37.13,;34.34,-36.37,;35.67,-37.15,;35.66,-38.68,;34.32,-39.44,;32.99,-38.67,;33.02,-34.04,;33.04,-32.5,;34.36,-34.83,;35.69,-34.07,;35.7,-32.53,;37.04,-31.77,;37.05,-30.22,;35.73,-29.44,;38.39,-29.46,;37.02,-34.84,;37.01,-36.38,;38.36,-34.08,;39.69,-34.86,;41.03,-34.1,;41.04,-32.56,;42.36,-34.87,;43.69,-34.12,;43.71,-32.57,;45.05,-31.82,;45.03,-34.9,;45.01,-36.44,;46.37,-34.14,;47.69,-34.91,;47.68,-36.45,;49.01,-37.24,;50.35,-36.48,;51.68,-37.25,;51.67,-38.79,;50.33,-39.55,;49,-38.78,;49.03,-34.15,;49.04,-32.61,;50.36,-34.94,;51.7,-34.18,;51.72,-32.64,;53.05,-31.87,;53.06,-30.34,;54.4,-29.57,;54.41,-28.03,;53.03,-34.95,;53.02,-36.49,;54.36,-34.19,;55.7,-34.97,;57.04,-34.21,;57.04,-32.67,;58.36,-34.99,;59.7,-34.23,;59.72,-32.69,;61.05,-31.93,;61.07,-30.39,;62.39,-32.71,;61.04,-35.01,;62.37,-34.25,;61.02,-36.55,)|
BDBM50357758 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:65.67,47.54,28.28,8.13,2.2,84.85,101.102,123.124,136.137,152.153,168.170,182.183,203.205,wD:56.63,33.45,17.24,4.4,79.81,93.94,112.113,131.133,144.145,160.161,173.174,194.196,214.216,(-6.53,-14.66,;-6.53,-13.11,;-5.2,-12.34,;-3.86,-13.11,;-5.2,-10.8,;-6.53,-10.03,;-7.87,-10.81,;-7.86,-12.34,;-9.2,-10.04,;-9.2,-8.5,;-7.87,-7.73,;-7.87,-6.19,;-9.21,-5.42,;-6.54,-5.42,;-10.53,-10.81,;-11.88,-10.04,;-11.88,-8.5,;-13.21,-10.81,;-13.2,-12.35,;-11.87,-13.12,;-11.86,-14.66,;-10.52,-15.43,;-10.53,-16.97,;-11.86,-17.74,;-9.18,-17.74,;-14.55,-10.05,;-15.87,-10.82,;-15.87,-12.36,;-17.21,-10.05,;-17.21,-8.51,;-18.54,-10.82,;-19.88,-10.05,;-19.89,-8.51,;-21.21,-10.82,;-21.21,-12.37,;-19.87,-13.13,;-18.61,-12.25,;-17.37,-13.18,;-17.89,-14.63,;-17.13,-15.98,;-17.93,-17.3,;-19.47,-17.27,;-20.21,-15.92,;-19.42,-14.61,;-22.54,-10.06,;-23.88,-10.83,;-23.87,-12.37,;-25.21,-10.07,;-25.21,-8.53,;-23.88,-7.75,;-23.88,-6.22,;-25.22,-5.44,;-22.55,-5.44,;-26.55,-10.84,;-27.89,-10.07,;-27.87,-8.53,;-29.21,-10.84,;-29.21,-12.38,;-27.86,-13.15,;-27.88,-14.69,;-29.2,-15.46,;-26.54,-15.45,;-30.54,-10.07,;-31.88,-10.84,;-31.87,-12.38,;-33.22,-10.07,;-34.54,-10.84,;-33.22,-8.53,;-31.88,-7.76,;-31.88,-6.22,;-33.23,-5.46,;-30.55,-5.45,;-3.87,-10.03,;-3.87,-8.49,;-2.53,-10.8,;-1.2,-10.03,;.14,-10.79,;.14,-12.33,;1.47,-10.02,;2.8,-10.79,;2.81,-12.33,;4.14,-10.01,;4.13,-8.48,;5.47,-10.79,;6.8,-10.02,;6.8,-8.48,;8.13,-7.7,;8.13,-6.16,;6.79,-5.39,;9.47,-5.39,;8.14,-10.78,;8.14,-12.32,;9.47,-10.01,;10.8,-10.78,;10.8,-12.32,;12.14,-13.08,;12.14,-14.62,;13.47,-12.31,;12.13,-10.01,;12.13,-8.46,;13.47,-10.77,;14.8,-10,;14.8,-8.46,;16.13,-7.69,;16.13,-6.15,;17.46,-5.38,;17.46,-3.84,;16.12,-3.07,;18.79,-3.07,;16.14,-10.77,;16.14,-12.31,;17.47,-10,;18.81,-10.77,;18.81,-12.31,;20.14,-13.07,;20.14,-14.61,;21.48,-15.38,;21.48,-16.93,;20.14,-17.69,;22.82,-17.69,;20.14,-10,;20.13,-8.46,;21.47,-10.76,;22.8,-9.99,;22.8,-8.45,;24.13,-7.68,;24.13,-6.14,;25.46,-5.37,;24.13,-10.76,;24.14,-12.3,;25.47,-9.98,;26.8,-10.75,;26.81,-12.29,;28.13,-9.98,;28.14,-8.44,;29.47,-10.75,;30.8,-9.98,;30.8,-8.44,;32.13,-7.67,;33.47,-8.43,;32.13,-6.13,;32.14,-10.74,;32.14,-12.28,;33.47,-9.97,;34.8,-10.74,;34.81,-12.28,;36.14,-13.05,;37.48,-12.27,;36.15,-14.59,;36.14,-9.97,;36.14,-8.43,;37.47,-10.74,;38.8,-9.97,;38.8,-8.42,;40.13,-7.65,;40.13,-6.11,;41.47,-8.43,;40.14,-10.74,;40.14,-12.28,;41.47,-9.97,;42.81,-10.73,;42.8,-12.27,;44.14,-13.03,;45.47,-12.26,;44.14,-14.57,;44.14,-9.96,;44.14,-8.42,;45.47,-10.72,;46.8,-9.95,;46.81,-8.41,;48.14,-10.72,;48.15,-12.26,;49.47,-9.95,;50.81,-10.72,;50.81,-12.26,;52.14,-13.02,;52.14,-14.56,;50.81,-15.33,;53.48,-15.33,;52.14,-9.95,;52.13,-8.41,;53.47,-10.71,;54.8,-9.94,;54.8,-8.4,;56.13,-7.63,;57.47,-8.4,;58.81,-7.63,;58.8,-6.09,;60.13,-5.32,;57.47,-5.32,;56.13,-6.09,;56.14,-10.71,;56.14,-12.25,;57.47,-9.94,;58.81,-10.7,;58.81,-12.24,;60.14,-13.01,;60.14,-14.55,;58.81,-15.32,;61.48,-15.32,;60.14,-9.93,;60.14,-8.39,;61.48,-10.7,;62.81,-9.93,;62.8,-8.39,;64.14,-7.61,;64.13,-6.08,;65.46,-5.3,;65.46,-3.76,;64.12,-3,;66.79,-2.99,;64.14,-10.7,;64.15,-12.24,;65.48,-9.93,;66.81,-10.69,;66.81,-12.23,;68.15,-13,;68.15,-14.54,;69.48,-15.31,;69.48,-16.85,;68.15,-17.62,;70.82,-17.61,;68.14,-9.92,;69.47,-10.69,;68.14,-8.38,)|
BDBM50357759 CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r,wU:110.113,99.109,92.93,79.81,61.61,47.52,8.15,2.2,139.141,159.162,wD:83.90,116.119,65.77,120.123,56.56,38.43,30.34,19.26,4.4,131.133,148.150,167.171,(21.53,-21.17,;20.2,-20.4,;20.2,-18.85,;21.53,-18.08,;18.86,-18.09,;17.52,-18.86,;17.53,-20.4,;18.86,-21.16,;16.19,-21.17,;14.86,-20.4,;14.86,-18.85,;13.53,-18.09,;13.53,-16.55,;12.2,-15.78,;10.87,-16.55,;12.2,-14.24,;16.19,-22.7,;14.86,-23.47,;13.52,-22.71,;14.85,-25.01,;16.19,-25.78,;17.53,-25.01,;18.86,-25.78,;20.19,-25.01,;21.53,-25.78,;21.53,-27.32,;22.86,-25.01,;13.52,-25.78,;13.53,-27.32,;14.86,-28.09,;12.19,-28.09,;12.19,-29.63,;10.86,-30.4,;9.52,-29.63,;10.86,-31.93,;10.86,-27.32,;10.86,-25.78,;12.19,-25.01,;9.53,-25.01,;8.19,-25.78,;6.85,-25.01,;5.53,-25.78,;5.53,-27.31,;4.19,-25.01,;9.53,-23.46,;8.2,-22.7,;6.86,-23.47,;8.2,-21.15,;9.53,-20.39,;10.87,-21.16,;12.2,-20.39,;12.19,-18.86,;13.53,-21.16,;6.87,-20.39,;6.86,-18.85,;8.2,-18.08,;5.53,-18.08,;4.2,-18.85,;5.53,-16.54,;4.2,-15.77,;2.87,-16.55,;4.2,-14.23,;2.87,-13.46,;2.87,-11.92,;4.2,-11.15,;1.54,-11.15,;.2,-11.92,;.21,-13.46,;1.1,-14.7,;.19,-15.94,;-1.27,-15.46,;-2.6,-16.23,;-3.93,-15.45,;-3.93,-13.91,;-2.59,-13.16,;-1.26,-13.93,;1.54,-9.61,;.21,-8.85,;-1.13,-9.61,;.2,-7.3,;-1.13,-6.53,;-1.13,-4.99,;.2,-4.22,;-2.46,-4.22,;-3.79,-4.99,;-3.79,-6.53,;-5.13,-7.3,;-6.46,-6.54,;-5.13,-8.84,;-2.46,-2.68,;-3.79,-1.91,;-5.12,-2.68,;-3.8,-.37,;-2.41,.33,;-2.94,1.92,;-4.61,1.91,;-5.13,.31,;-6.42,-.53,;-6.34,-2.07,;-7.75,.25,;-7.73,1.8,;-6.39,2.55,;-6.37,4.09,;-7.7,4.87,;-9.04,4.11,;-10.37,4.9,;-9.05,2.57,;-9.08,-.5,;-10.41,.28,;-10.4,1.82,;-11.76,-.48,;-11.78,-2.02,;-13.09,.3,;-14.43,-.45,;-14.44,-1.99,;-15.76,-2.75,;1.54,-6.53,;2.87,-7.3,;1.54,-4.99,;2.87,-4.22,;5.53,-13.46,;6.87,-14.23,;5.53,-11.92,;6.86,-11.15,;18.86,-16.55,;17.53,-15.78,;20.2,-15.78,;20.19,-14.24,;21.53,-13.47,;22.87,-14.24,;21.53,-11.93,;22.86,-11.16,;24.2,-11.93,;25.53,-11.16,;25.53,-9.63,;26.87,-11.93,;22.86,-9.62,;21.53,-8.85,;24.2,-8.85,;24.2,-7.31,;22.87,-6.54,;22.87,-5,;21.53,-4.24,;20.2,-5.01,;21.53,-2.7,;25.53,-6.54,;26.87,-7.31,;25.53,-5,;26.86,-4.23,;28.2,-5,;29.54,-4.23,;29.54,-2.7,;30.88,-1.93,;32.21,-2.7,;32.2,-4.24,;30.87,-5.01,;26.87,-2.7,;25.53,-1.93,;28.2,-1.93,;28.2,-.39,;26.87,.38,;26.87,1.92,;28.21,2.69,;25.54,2.69,;29.54,.38,;30.89,-.38,;29.54,1.92,;30.88,2.7,;32.22,1.92,;30.87,4.23,;32.21,5.01,;29.55,5,)|
BDBM50362141 COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50362142 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
BDBM50362143 CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362144 CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362145 CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362146 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362147 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362148 CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
BDBM50362149 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM50362150 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
BDBM50362151 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
BDBM50362152 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
BDBM50362153 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
BDBM50376902 COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
BDBM50379281 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(CC(O)=O)Cc3cccc4ccccc34)c2c1
BDBM50384309 CCOC(=O)c1nn(c(C)c1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1 |(-8.18,2.42,;-6.72,1.95,;-6.4,.44,;-4.94,-.04,;-3.79,.99,;-4.62,-1.54,;-5.65,-2.68,;-4.88,-4.02,;-3.37,-3.7,;-3.42,-5.25,;-3.21,-2.17,;-1.87,-1.4,;-1.87,.14,;-.53,.91,;.8,.13,;.8,-1.41,;-.55,-2.17,;-.55,-3.71,;-1.89,-4.48,;.78,-4.49,;.77,-6.02,;2.1,-6.8,;3.43,-6.04,;4.75,-6.82,;6.09,-6.06,;6.11,-4.52,;4.78,-3.74,;3.45,-4.5,;2.12,-3.71,;2.14,.9,;2.15,2.44,;3.47,.12,;4.8,.89,;4.02,2.22,;5.56,2.23,;6.14,.11,;6.12,-1.43,;7.46,-2.21,;8.81,-1.43,;10.15,-2.19,;11.48,-1.41,;11.46,.14,;10.12,.9,;8.8,.11,;7.47,.88,;-5.6,-5.37,;-7.14,-5.42,;-7.87,-6.78,;-7.06,-8.09,;-5.51,-8.03,;-4.79,-6.68,)|
BDBM50384310 CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.15,-7.18,;22.84,-6.37,;22.88,-4.84,;21.57,-4.03,;21.62,-2.48,;21.78,-.95,;20.37,-.32,;19.34,-1.46,;20.11,-2.8,;19.39,-4.15,;17.84,-4.2,;17.12,-5.56,;17.93,-6.87,;19.48,-6.81,;20.2,-5.46,;20.05,1.19,;21.2,2.22,;18.59,1.66,;18.27,3.17,;16.81,3.65,;23.12,-.18,;23.12,1.36,;24.46,2.13,;25.79,1.36,;25.79,-.19,;24.44,-.95,;24.44,-2.49,;23.1,-3.25,;25.77,-3.27,;25.76,-4.8,;27.09,-5.58,;28.42,-4.82,;29.74,-5.6,;31.08,-4.84,;31.1,-3.3,;29.77,-2.52,;28.44,-3.28,;27.11,-2.49,;27.13,2.12,;27.14,3.66,;28.46,1.34,;29.79,2.11,;29.01,3.44,;30.55,3.45,;31.13,1.33,;31.11,-.21,;32.45,-.99,;33.8,-.21,;35.14,-.97,;36.47,-.19,;36.46,1.36,;35.11,2.12,;33.79,1.33,;32.46,2.1,)|
BDBM50384311 CCCCc1c(c(nn1-c1ccccc1)C(O)=O)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.07,-6.48,;45.76,-5.67,;45.8,-4.14,;44.49,-3.33,;44.54,-1.78,;44.7,-.25,;43.29,.38,;42.26,-.76,;43.03,-2.1,;42.31,-3.45,;40.77,-3.5,;40.04,-4.86,;40.85,-6.17,;42.4,-6.11,;43.12,-4.76,;42.98,1.89,;41.51,2.36,;44.12,2.92,;46.04,.52,;46.04,2.06,;47.38,2.83,;48.71,2.06,;48.71,.51,;47.36,-.25,;47.36,-1.79,;46.02,-2.55,;48.69,-2.57,;48.69,-4.1,;50.01,-4.88,;51.34,-4.12,;52.66,-4.9,;54.01,-4.14,;54.02,-2.6,;52.69,-1.82,;51.36,-2.58,;50.03,-1.79,;50.05,2.82,;50.06,4.36,;51.38,2.04,;52.71,2.81,;51.93,4.14,;53.47,4.15,;54.05,2.03,;54.04,.49,;55.37,-.29,;56.72,.49,;58.06,-.27,;59.4,.51,;59.38,2.06,;58.03,2.82,;56.71,2.03,;55.38,2.8,)|
BDBM50384312 CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.21,-22.28,;-1.52,-21.47,;-1.48,-19.93,;-2.79,-19.12,;-2.74,-17.58,;-2.58,-16.04,;-3.99,-15.42,;-4.31,-13.91,;-5.77,-13.43,;-5.02,-16.56,;-4.25,-17.89,;-4.97,-19.25,;-6.52,-19.3,;-7.24,-20.65,;-6.43,-21.96,;-4.88,-21.91,;-4.16,-20.55,;-1.24,-15.27,;-1.24,-13.74,;.1,-12.96,;1.43,-13.74,;1.43,-15.28,;.08,-16.05,;.08,-17.59,;-1.26,-18.35,;1.41,-18.36,;1.4,-19.9,;2.73,-20.67,;4.06,-19.91,;5.38,-20.69,;6.72,-19.94,;6.74,-18.4,;5.41,-17.61,;4.08,-18.37,;2.75,-17.59,;2.77,-12.98,;2.78,-11.44,;4.1,-13.75,;5.43,-12.98,;4.65,-11.66,;6.19,-11.65,;6.77,-13.76,;6.75,-15.3,;8.09,-16.08,;9.44,-15.31,;10.78,-16.07,;12.11,-15.29,;12.1,-13.73,;10.75,-12.98,;9.43,-13.76,;8.1,-12.99,)|
BDBM50384313 CCCCc1c(c(nn1-c1ccc(OC)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.33,-23.45,;23.02,-22.64,;23.06,-21.1,;21.75,-20.29,;21.8,-18.74,;21.96,-17.21,;20.55,-16.58,;19.52,-17.73,;20.29,-19.06,;19.56,-20.42,;18.02,-20.46,;17.3,-21.82,;18.11,-23.13,;17.39,-24.49,;18.2,-25.79,;19.66,-23.08,;20.38,-21.72,;20.23,-15.08,;21.38,-14.05,;18.77,-14.6,;18.45,-13.09,;16.99,-12.62,;23.29,-16.44,;23.29,-14.9,;24.64,-14.13,;25.97,-14.91,;25.96,-16.45,;24.62,-17.21,;24.62,-18.75,;23.28,-19.52,;25.95,-19.53,;25.94,-21.07,;27.27,-21.84,;28.6,-21.08,;29.92,-21.86,;31.26,-21.11,;31.28,-19.57,;29.95,-18.78,;28.62,-19.54,;27.29,-18.76,;27.31,-14.14,;27.32,-12.6,;28.64,-14.92,;29.97,-14.15,;29.19,-12.83,;30.73,-12.81,;31.31,-14.93,;31.29,-16.47,;32.63,-17.25,;33.98,-16.48,;35.32,-17.24,;36.65,-16.45,;36.64,-14.9,;35.29,-14.15,;33.97,-14.93,;32.64,-14.16,)|
BDBM50384314 CCCCc1c(c(nn1-c1cccc(Oc2ccccc2)c1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(49.78,-23.14,;48.47,-22.33,;48.52,-20.79,;47.21,-19.98,;47.25,-18.43,;47.42,-16.9,;46.01,-16.27,;44.98,-17.42,;45.75,-18.75,;45.02,-20.11,;43.48,-20.15,;42.75,-21.51,;43.57,-22.82,;45.11,-22.76,;45.93,-24.06,;45.21,-25.42,;43.67,-25.47,;42.95,-26.83,;43.77,-28.14,;45.32,-28.08,;46.03,-26.72,;45.83,-21.41,;45.69,-14.77,;46.83,-13.74,;44.23,-14.29,;43.91,-12.78,;42.44,-12.31,;48.75,-16.13,;48.75,-14.59,;50.09,-13.82,;51.43,-14.6,;51.42,-16.14,;50.08,-16.9,;50.07,-18.44,;48.74,-19.21,;51.4,-19.22,;51.4,-20.75,;52.72,-21.53,;54.06,-20.77,;55.38,-21.55,;56.72,-20.8,;56.74,-19.26,;55.41,-18.47,;54.07,-19.23,;52.74,-18.45,;52.77,-13.83,;52.77,-12.29,;54.1,-14.61,;55.43,-13.84,;54.65,-12.51,;56.19,-12.5,;56.76,-14.62,;56.75,-16.16,;58.08,-16.94,;59.43,-16.17,;60.78,-16.93,;62.11,-16.14,;62.09,-14.59,;60.75,-13.84,;59.42,-14.62,;58.1,-13.85,)|
BDBM50384315 CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.21,-39.36,;-2.52,-38.55,;-2.47,-37.01,;-3.78,-36.2,;-3.74,-34.66,;-3.57,-33.12,;-4.98,-32.5,;-6.01,-33.64,;-5.25,-34.98,;-5.97,-36.33,;-7.51,-36.38,;-8.24,-37.73,;-7.43,-39.04,;-8.15,-40.4,;-7.33,-41.71,;-8.06,-43.06,;-7.25,-44.37,;-5.71,-44.32,;-4.99,-42.95,;-5.8,-41.65,;-5.88,-38.99,;-5.16,-37.63,;-5.3,-30.99,;-4.16,-29.96,;-6.77,-30.51,;-7.08,-29.01,;-8.55,-28.53,;-2.24,-32.36,;-2.24,-30.82,;-.9,-30.04,;.44,-30.82,;.43,-32.36,;-.91,-33.13,;-.92,-34.67,;-2.25,-35.43,;.41,-35.44,;.41,-36.98,;1.73,-37.75,;3.07,-36.99,;4.39,-37.77,;5.73,-37.02,;5.74,-35.48,;4.42,-34.69,;3.08,-35.45,;1.75,-34.67,;1.77,-30.06,;1.78,-28.52,;3.1,-30.83,;4.44,-30.07,;3.66,-28.74,;5.2,-28.73,;5.77,-30.85,;5.76,-32.39,;7.09,-33.17,;8.44,-32.39,;9.79,-33.15,;11.12,-32.37,;11.1,-30.81,;9.76,-30.06,;8.43,-30.84,;7.1,-30.07,)|
BDBM50384316 CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.83,-40.71,;22.52,-39.91,;22.56,-38.37,;21.25,-37.56,;21.29,-36.01,;21.46,-34.48,;20.05,-33.85,;19.73,-32.35,;18.27,-31.87,;19.02,-35,;19.79,-36.33,;19.06,-37.69,;17.52,-37.73,;16.8,-39.09,;17.61,-40.4,;16.89,-41.75,;17.7,-43.06,;16.97,-44.42,;17.78,-45.72,;19.32,-45.67,;20.05,-44.3,;19.23,-43,;19.16,-40.34,;19.88,-38.99,;22.79,-33.71,;22.79,-32.17,;24.14,-31.4,;25.47,-32.18,;25.46,-33.72,;24.12,-34.48,;24.12,-36.02,;22.78,-36.79,;25.45,-36.8,;25.44,-38.33,;26.76,-39.11,;28.1,-38.35,;29.42,-39.13,;30.76,-38.38,;30.78,-36.84,;29.45,-36.05,;28.12,-36.81,;26.78,-36.03,;26.81,-31.41,;26.81,-29.87,;28.14,-32.19,;29.47,-31.42,;28.69,-30.09,;30.23,-30.08,;30.8,-32.2,;30.79,-33.74,;32.12,-34.52,;33.47,-33.75,;34.82,-34.51,;36.15,-33.72,;36.13,-32.17,;34.79,-31.42,;33.46,-32.2,;32.14,-31.43,)|
BDBM50384317 CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.67,-42.35,;46.36,-41.54,;46.4,-40,;45.09,-39.19,;45.14,-37.65,;45.3,-36.11,;43.89,-35.49,;43.58,-33.98,;42.11,-33.5,;42.86,-36.63,;43.63,-37.96,;42.91,-39.32,;41.37,-39.37,;40.64,-40.72,;41.45,-42.03,;40.73,-43.39,;41.54,-44.69,;40.81,-46.05,;41.63,-47.36,;43.17,-47.31,;43.98,-48.61,;43.89,-45.94,;43.07,-44.64,;43,-41.98,;43.72,-40.62,;46.64,-35.34,;46.64,-33.81,;47.98,-33.03,;49.31,-33.81,;49.31,-35.35,;47.96,-36.12,;47.96,-37.66,;46.62,-38.42,;49.29,-38.43,;49.28,-39.97,;50.61,-40.74,;51.94,-39.98,;53.26,-40.76,;54.6,-40.01,;54.62,-38.47,;53.29,-37.68,;51.96,-38.44,;50.63,-37.66,;50.65,-33.05,;50.66,-31.51,;51.98,-33.82,;53.31,-33.06,;52.53,-31.73,;54.07,-31.72,;54.65,-33.83,;54.63,-35.38,;55.97,-36.15,;57.32,-35.38,;58.66,-36.14,;59.99,-35.36,;59.98,-33.8,;58.63,-33.05,;57.31,-33.83,;55.98,-33.06,)|
BDBM50384318 CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)|
BDBM50384319 CCCCOc1ccc(cc1)-n1nc(CO)c(c1CCCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.14,-13.86,;15.87,-12.5,;15.06,-11.2,;15.78,-9.84,;14.97,-8.53,;15.69,-7.18,;14.88,-5.87,;15.6,-4.51,;17.14,-4.46,;17.95,-5.77,;17.23,-7.12,;17.87,-3.11,;17.1,-1.78,;18.13,-.63,;17.81,.87,;16.35,1.35,;19.54,-1.26,;19.37,-2.79,;19.33,-4.34,;20.64,-5.15,;20.6,-6.68,;21.91,-7.49,;20.87,-.49,;20.87,1.05,;22.22,1.82,;23.55,1.04,;23.54,-.5,;22.2,-1.26,;22.2,-2.8,;20.86,-3.57,;23.53,-3.58,;23.52,-5.11,;24.84,-5.89,;26.18,-5.13,;27.5,-5.91,;28.84,-5.15,;28.86,-3.61,;27.53,-2.83,;26.19,-3.59,;24.86,-2.8,;24.89,1.81,;24.89,3.35,;26.22,1.03,;27.55,1.8,;26.77,3.13,;28.31,3.14,;28.88,1.02,;28.87,-.52,;30.2,-1.3,;31.55,-.52,;32.9,-1.29,;34.23,-.5,;34.21,1.05,;32.87,1.81,;31.54,1.02,;30.22,1.79,)|
BDBM50384320 CCCCc1c(c(CO)nn1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(46.25,-7.57,;44.94,-6.76,;44.98,-5.22,;43.67,-4.42,;43.72,-2.87,;43.88,-1.34,;42.47,-.71,;42.15,.8,;40.69,1.27,;41.44,-1.85,;42.21,-3.19,;41.49,-4.54,;39.95,-4.59,;39.22,-5.94,;40.03,-7.25,;41.58,-7.2,;42.3,-5.84,;39.31,-8.61,;37.77,-8.66,;37.04,-10.02,;37.86,-11.32,;39.4,-11.27,;40.12,-9.91,;45.22,-.57,;45.22,.97,;46.56,1.74,;47.89,.97,;47.89,-.57,;46.54,-1.34,;46.54,-2.88,;45.2,-3.64,;47.87,-3.65,;47.86,-5.19,;49.19,-5.97,;50.52,-5.21,;51.84,-5.98,;53.18,-5.23,;53.2,-3.69,;51.87,-2.9,;50.54,-3.67,;49.21,-2.88,;49.23,1.73,;49.24,3.27,;50.56,.95,;51.89,1.72,;51.11,3.05,;52.65,3.06,;53.23,.94,;53.21,-.6,;54.55,-1.38,;55.9,-.6,;57.24,-1.36,;58.57,-.58,;58.56,.97,;57.21,1.73,;55.89,.94,;54.56,1.72,)|
BDBM50384321 CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.54,-26.2,;-1.85,-25.39,;-1.8,-23.85,;-3.11,-23.04,;-3.07,-21.5,;-2.91,-19.96,;-4.31,-19.34,;-4.63,-17.83,;-6.1,-17.35,;-5.34,-20.48,;-4.58,-21.81,;-5.3,-23.17,;-6.84,-23.22,;-7.57,-24.57,;-6.76,-25.88,;-7.48,-27.24,;-9.02,-27.29,;-9.75,-28.65,;-5.21,-25.83,;-4.49,-24.47,;-1.57,-19.19,;-1.57,-17.66,;-.23,-16.88,;1.11,-17.66,;1.1,-19.2,;-.24,-19.97,;-.25,-21.51,;-1.59,-22.27,;1.08,-22.28,;1.08,-23.82,;2.4,-24.59,;3.74,-23.83,;5.06,-24.61,;6.4,-23.86,;6.41,-22.32,;5.08,-21.53,;3.75,-22.29,;2.42,-21.51,;2.44,-16.9,;2.45,-15.36,;3.77,-17.67,;5.1,-16.9,;4.32,-15.58,;5.86,-15.57,;6.44,-17.68,;6.43,-19.22,;7.76,-20,;9.11,-19.23,;10.45,-19.99,;11.79,-19.21,;11.77,-17.65,;10.42,-16.9,;9.1,-17.68,;7.77,-16.91,)|
BDBM50384322 CCCCc1c(c(CO)nn1-c1ccc(CCCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.77,-26.25,;22.46,-25.44,;22.51,-23.9,;21.2,-23.1,;21.24,-21.55,;21.4,-20.02,;20,-19.39,;19.68,-17.88,;18.21,-17.41,;18.97,-20.53,;19.73,-21.87,;19.01,-23.22,;17.47,-23.27,;16.74,-24.62,;17.55,-25.93,;16.83,-27.29,;15.29,-27.34,;14.57,-28.7,;13.03,-28.75,;19.1,-25.88,;19.82,-24.52,;22.74,-19.25,;22.74,-17.71,;24.08,-16.94,;25.42,-17.71,;25.41,-19.25,;24.07,-20.02,;24.06,-21.56,;22.72,-22.32,;25.39,-22.33,;25.39,-23.87,;26.71,-24.65,;28.05,-23.89,;29.37,-24.66,;30.71,-23.91,;30.72,-22.37,;29.39,-21.58,;28.06,-22.35,;26.73,-21.56,;26.75,-16.95,;26.76,-15.41,;28.08,-17.73,;29.41,-16.96,;28.63,-15.63,;30.17,-15.62,;30.75,-17.74,;30.74,-19.28,;32.07,-20.06,;33.42,-19.28,;34.76,-20.04,;36.1,-19.26,;36.08,-17.71,;34.73,-16.95,;33.41,-17.74,;32.08,-16.96,)|
BDBM50384323 CCCCc1c(c(CO)nn1-c1cccc(CO)c1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(48.56,-26.2,;47.25,-25.39,;47.3,-23.85,;45.99,-23.04,;46.03,-21.5,;46.2,-19.96,;44.79,-19.34,;44.47,-17.83,;43,-17.35,;43.76,-20.48,;44.52,-21.82,;43.8,-23.17,;42.26,-23.22,;41.53,-24.57,;42.34,-25.88,;43.89,-25.83,;44.71,-27.13,;43.99,-28.49,;44.61,-24.47,;47.53,-19.2,;47.53,-17.66,;48.87,-16.88,;50.21,-17.66,;50.2,-19.2,;48.86,-19.97,;48.85,-21.51,;47.52,-22.27,;50.18,-22.28,;50.18,-23.82,;51.5,-24.59,;52.84,-23.83,;54.16,-24.61,;55.5,-23.86,;55.51,-22.32,;54.19,-21.53,;52.85,-22.29,;51.52,-21.51,;51.54,-16.9,;51.55,-15.36,;52.87,-17.67,;54.21,-16.91,;53.43,-15.58,;54.97,-15.57,;55.54,-17.69,;55.53,-19.23,;56.86,-20.01,;58.21,-19.23,;59.56,-19.99,;60.89,-19.21,;60.87,-17.65,;59.53,-16.9,;58.2,-17.68,;56.87,-16.91,)|
BDBM50384324 CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(-8.12,-38.1,;-6.89,-39.03,;-5.47,-38.44,;-5.28,-36.91,;-3.85,-36.31,;-2.39,-35.82,;-2.4,-34.28,;-1.16,-33.36,;-1.34,-31.83,;-3.87,-33.82,;-4.77,-35.07,;-6.3,-34.97,;-6.98,-33.59,;-8.52,-33.49,;-9.37,-34.77,;-8.68,-36.16,;-7.15,-36.25,;-1.14,-36.72,;.21,-35.98,;1.54,-36.79,;1.49,-38.33,;.14,-39.06,;-1.18,-38.25,;-2.53,-38.98,;-3.84,-38.18,;-2.57,-40.52,;-1.26,-41.33,;-1.31,-42.87,;0,-43.68,;-.05,-45.22,;-1.41,-45.94,;-2.72,-45.13,;-2.67,-43.6,;-3.97,-42.79,;-3.93,-41.25,;-5.24,-40.45,;-6.59,-41.18,;2.8,-39.14,;4.16,-38.41,;2.76,-40.68,;4.07,-41.48,;4.86,-40.16,;5.61,-41.5,;4.03,-43.02,;2.67,-43.75,;2.62,-45.29,;3.95,-46.11,;3.93,-47.65,;5.25,-48.45,;6.61,-47.69,;6.63,-46.14,;5.3,-45.36,;5.34,-43.82,)|
BDBM50384325 CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(11.77,-38.55,;13.06,-39.38,;14.43,-38.69,;14.52,-37.15,;15.9,-36.45,;17.32,-35.86,;17.2,-34.32,;18.37,-33.32,;18.08,-31.81,;15.7,-33.96,;14.89,-35.28,;13.36,-35.29,;12.58,-33.96,;11.04,-33.97,;10.28,-35.31,;11.07,-36.64,;12.6,-36.63,;18.63,-36.66,;19.98,-35.92,;21.31,-36.73,;21.26,-38.28,;19.91,-39.01,;18.59,-38.2,;17.24,-38.93,;15.93,-38.12,;17.2,-40.47,;18.51,-41.27,;18.46,-42.82,;19.77,-43.62,;19.72,-45.16,;18.36,-45.89,;17.05,-45.07,;17.1,-43.54,;15.8,-42.73,;15.84,-41.2,;14.53,-40.39,;13.18,-41.12,;22.57,-39.08,;23.93,-38.35,;22.53,-40.62,;23.84,-41.42,;24.63,-40.1,;25.38,-41.45,;23.8,-42.97,;22.44,-43.7,;22.39,-45.24,;23.72,-46.05,;23.7,-47.6,;25.02,-48.39,;26.38,-47.63,;26.39,-46.09,;25.07,-45.3,;25.11,-43.77,)|
BDBM50384326 CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C |(33.41,-39.78,;34.7,-40.62,;36.07,-39.92,;36.15,-38.39,;37.53,-37.68,;38.96,-37.09,;38.83,-35.56,;40,-34.56,;39.72,-33.04,;37.33,-35.2,;36.53,-36.51,;35,-36.53,;34.22,-35.2,;32.68,-35.21,;31.92,-36.55,;32.71,-37.88,;34.24,-37.86,;40.27,-37.9,;41.62,-37.16,;42.94,-37.97,;42.9,-39.51,;41.54,-40.24,;40.23,-39.43,;38.87,-40.17,;37.56,-39.36,;38.83,-41.71,;37.48,-42.44,;37.43,-43.97,;38.74,-44.78,;38.69,-46.31,;39.99,-47.13,;41.35,-46.4,;41.41,-44.86,;40.1,-44.05,;40.15,-42.51,;44.21,-40.32,;45.57,-39.59,;44.17,-41.86,;45.48,-42.66,;46.27,-41.34,;47.02,-42.69,;45.43,-44.21,;46.75,-45.01,;46.72,-46.55,;48.03,-47.35,;45.37,-47.29,;46.7,-48.08,)|
BDBM50384327 CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC |(-5.26,-3.34,;-3.97,-4.18,;-2.6,-3.48,;-2.52,-1.94,;-1.14,-1.24,;.29,-.65,;.16,.88,;1.33,1.89,;1.05,3.4,;-1.33,1.24,;-2.14,-.07,;-3.67,-.08,;-4.45,1.25,;-5.99,1.23,;-6.75,-.11,;-8.29,-.12,;-9.07,1.21,;-10.61,1.18,;-11.4,2.5,;-10.64,3.85,;-9.1,3.87,;-8.34,5.21,;-8.32,2.54,;-5.96,-1.44,;-4.43,-1.42,;1.6,-1.45,;2.95,-.72,;4.28,-1.53,;4.23,-3.07,;2.88,-3.8,;1.56,-2.99,;.21,-3.72,;-1.1,-2.91,;.16,-5.26,;-1.19,-5.99,;-1.23,-7.53,;.07,-8.34,;.02,-9.87,;1.32,-10.68,;2.68,-9.96,;2.74,-8.42,;1.43,-7.61,;1.48,-6.07,;5.54,-3.88,;6.9,-3.15,;5.5,-5.42,;6.81,-6.22,;7.6,-4.9,;8.35,-6.24,;6.77,-7.76,;8.08,-8.56,)|
BDBM50384328 CCCCCS(=O)(=O)NC(=O)c1ccc(-c2c(CO)nn(c2CCCC)-c2ccc(Oc3cccc(Cl)c3)cc2)c(c1)C(=O)N1CCc2ccccc2C1 |(32.41,-13.03,;32.45,-11.49,;31.13,-10.69,;31.17,-9.15,;29.85,-8.35,;29.89,-6.8,;30.69,-5.48,;31.43,-6.83,;28.58,-6,;28.63,-4.46,;29.98,-3.73,;27.32,-3.65,;27.36,-2.11,;26.04,-1.3,;24.69,-2.04,;23.37,-1.23,;23.25,.3,;24.42,1.3,;24.14,2.82,;21.75,.66,;20.95,-.65,;21.95,-1.82,;20.57,-2.53,;20.49,-4.06,;19.11,-4.76,;17.82,-3.92,;19.41,-.67,;18.63,.66,;17.09,.65,;16.33,-.69,;14.79,-.7,;14.01,.62,;12.47,.6,;11.7,1.92,;12.44,3.27,;13.98,3.28,;14.74,4.63,;14.76,1.96,;17.12,-2.02,;18.66,-2,;24.65,-3.57,;25.96,-4.38,;23.29,-4.31,;21.98,-3.5,;23.25,-5.84,;21.9,-6.58,;21.85,-8.11,;23.16,-8.92,;23.11,-10.45,;24.41,-11.27,;25.77,-10.54,;25.82,-9,;24.52,-8.19,;24.57,-6.65,)|
BDBM50384329 CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)|
BDBM50384330 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384331 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM50384332 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
BDBM50384333 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
BDBM50384334 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384335 CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
BDBM50384336 CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384337 CCCCN(CCCC)c1ncc(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384338 CCCN(CCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384339 CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
BDBM50384340 CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
BDBM50384341 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384342 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1
BDBM50384343 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C(=O)N1CCc2ccccc2C1
BDBM50384344 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384345 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(c2c1)S(=O)(=O)CC
BDBM50384346 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCN3CCOCC3)cc2c1
BDBM50384347 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
BDBM50384348 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
BDBM50384349 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
BDBM50384350 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
BDBM50384351 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50384352 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
BDBM50384353 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
BDBM50384354 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384355 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384356 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384357 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384358 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384359 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384360 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50384361 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384362 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50384363 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
BDBM50388977 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1 |r|
BDBM50388978 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1 |r|
BDBM50388979 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCNCC1 |r|
BDBM50388980 CN1CCN(CCCNC(=O)c2c(c(cn2CC[C@H](O)CO)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r|
BDBM50388981 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O |r|
BDBM50388982 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388983 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388984 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388985 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388986 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388987 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388988 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50388989 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
BDBM50388990 CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50388991 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
BDBM50388992 CCOC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50388993 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
BDBM50388994 CCc1c(c(c(C(O)=O)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
BDBM50393830 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1 |r|
BDBM50393831 CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50393832 CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50393833 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50393834 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50393835 CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1
BDBM50393836 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50393837 CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
BDBM50393838 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50393839 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
BDBM50393841 CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:104.105,94.95,74.82,38.43,19.26,4.4,125.127,142.144,160.163,174.177,wD:99.100,85.91,62.71,47.54,30.34,8.15,119.121,133.135,153.156,168.171,185.189,(45.93,-13.5,;44.58,-14.25,;44.56,-15.79,;43.22,-16.54,;43.2,-18.09,;41.85,-18.83,;40.53,-18.05,;40.55,-16.5,;39.19,-18.79,;39.16,-20.33,;40.48,-21.12,;40.47,-22.66,;41.79,-23.45,;41.77,-24.99,;40.42,-25.74,;43.09,-25.78,;37.86,-18.01,;36.52,-18.76,;36.5,-20.3,;35.2,-17.97,;35.21,-16.43,;36.56,-15.68,;36.58,-14.14,;37.93,-13.39,;37.95,-11.85,;36.63,-11.06,;39.29,-11.1,;33.85,-18.73,;32.53,-17.94,;32.55,-16.4,;31.19,-18.68,;31.16,-20.23,;32.48,-21.01,;32.47,-22.56,;33.83,-20.27,;29.86,-17.9,;28.52,-18.64,;28.49,-20.18,;27.2,-17.86,;27.21,-16.32,;28.56,-15.57,;28.58,-14.02,;27.26,-13.24,;29.93,-13.28,;25.85,-18.61,;24.53,-17.82,;24.55,-16.28,;23.18,-18.57,;23.16,-20.11,;24.48,-20.9,;24.47,-22.44,;25.79,-23.23,;25.76,-24.77,;24.41,-25.52,;27.09,-25.56,;21.86,-17.78,;20.51,-18.54,;20.49,-20.08,;19.2,-17.75,;17.85,-18.5,;16.52,-17.71,;16.55,-16.17,;15.18,-18.46,;15.16,-20,;16.48,-20.79,;17.83,-20.04,;19.15,-20.83,;19.13,-22.37,;20.45,-23.16,;17.78,-23.12,;16.46,-22.33,;13.86,-17.67,;12.51,-18.42,;12.5,-19.96,;11.2,-17.63,;11.21,-16.1,;12.56,-15.34,;12.58,-13.8,;13.93,-13.05,;13.94,-11.51,;12.62,-10.72,;15.29,-10.76,;9.85,-18.39,;8.52,-17.6,;8.55,-16.06,;7.18,-18.35,;7.16,-19.89,;8.48,-20.68,;8.46,-22.22,;7.12,-22.97,;9.78,-23.01,;5.86,-17.56,;4.51,-18.31,;4.49,-19.85,;3.19,-17.53,;3.21,-15.98,;1.85,-18.27,;.52,-17.48,;.55,-15.94,;-.82,-18.23,;-.84,-19.77,;-2.14,-17.45,;-3.49,-18.2,;-3.51,-19.74,;-4.81,-17.41,;-6.15,-18.16,;-4.79,-15.87,;-3.44,-15.12,;-2.05,-15.76,;-1,-14.64,;-1.75,-13.29,;-1.26,-11.84,;-2.27,-10.67,;-3.78,-10.98,;-4.28,-12.43,;-3.26,-13.59,;44.52,-18.87,;44.5,-20.42,;45.86,-18.12,;47.19,-18.91,;47.17,-20.45,;48.49,-21.24,;48.53,-18.16,;48.55,-16.62,;49.85,-18.95,;51.2,-18.19,;51.22,-16.66,;52.57,-15.9,;53.89,-16.69,;52.59,-14.36,;52.52,-18.98,;52.5,-20.52,;53.86,-18.23,;55.19,-19.02,;55.17,-20.56,;56.49,-21.35,;56.47,-22.89,;55.12,-23.64,;57.79,-23.68,;56.53,-18.27,;56.55,-16.73,;57.86,-19.06,;59.2,-18.31,;59.22,-16.77,;60.56,-16.02,;61.89,-16.8,;63.23,-16.05,;63.25,-14.51,;61.93,-13.72,;60.59,-14.48,;60.52,-19.1,;60.5,-20.64,;61.87,-18.34,;63.19,-19.13,;63.17,-20.67,;64.49,-21.46,;61.82,-21.43,;64.54,-18.38,;64.55,-16.84,;65.86,-19.17,;67.2,-18.42,;67.22,-16.88,;68.56,-16.13,;69.89,-16.92,;68.59,-14.59,;68.52,-19.2,;68.5,-20.75,;69.87,-18.46,;71.19,-19.25,;71.17,-20.79,;72.5,-21.57,;72.54,-18.49,;72.56,-16.95,;73.86,-19.28,;75.2,-18.53,;75.23,-16.99,;76.56,-16.24,;77.89,-17.03,;79.24,-16.27,;79.26,-14.74,;77.93,-13.95,;76.59,-14.7,;76.52,-19.32,;76.5,-20.86,;77.87,-18.57,;79.19,-19.35,;79.17,-20.89,;80.5,-21.68,;80.47,-23.22,;81.79,-24.01,;81.77,-25.55,;80.54,-18.61,;81.86,-19.4,;80.56,-17.07,)|
BDBM50397583 CC(C)c1cc(cc2nc(ccc12)N1CCCC1)-c1cc2ccccc2nc1N1CCCC1
BDBM50397584 CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(nc2c1)N1CCOCC1
BDBM50397585 CCCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
BDBM50397586 CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCCC1)C(C)C
BDBM50397587 CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
BDBM50427813 CCCCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50426412 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r|
BDBM50426413 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50426414 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50426415 CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50427814 CCCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50427815 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
BDBM50427816 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
BDBM50427817 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O |r|
BDBM50427818 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r|
BDBM50427819 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r|
BDBM50427820 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1
BDBM50427821 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1 |r|
BDBM50427822 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1 |r|
BDBM50427823 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1 |r|
BDBM50427824 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1 |r|
BDBM50427825 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50427826 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F |r|
BDBM50427827 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C#N)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50427828 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F |r|
BDBM50427829 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50427830 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50427831 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50426416 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50427832 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r,wU:53.59,5.14,51.55,wD:53.58,(25.19,-28.45,;26.52,-27.68,;27.85,-28.44,;26.52,-26.14,;27.85,-25.36,;27.85,-23.82,;29.18,-23.05,;30.51,-23.82,;31.85,-23.05,;33.18,-23.83,;34.51,-23.06,;34.51,-21.51,;33.16,-20.75,;31.84,-21.52,;26.51,-23.06,;25.18,-23.83,;25.18,-25.37,;23.85,-26.13,;22.52,-25.36,;22.51,-23.83,;23.84,-23.06,;23.83,-21.51,;25.17,-20.74,;22.5,-20.75,;21.19,-26.13,;21.95,-27.46,;20.42,-27.45,;19.85,-25.37,;18.52,-26.14,;18.53,-27.69,;17.19,-28.46,;15.85,-27.69,;15.86,-26.15,;17.19,-25.38,;14.52,-28.46,;13.19,-27.69,;11.86,-28.45,;11.85,-29.99,;13.18,-30.77,;14.53,-30,;10.52,-30.75,;10.52,-32.29,;9.18,-33.05,;7.85,-32.28,;7.85,-30.74,;9.19,-29.97,;6.52,-29.96,;6.36,-28.43,;7.51,-27.4,;8.97,-27.88,;7.2,-25.89,;8.35,-24.87,;8.44,-23.33,;9.97,-23.41,;11.51,-23.4,;10.73,-22.07,;9.88,-24.95,;4.86,-28.1,;4.24,-26.69,;4.09,-29.43,;2.55,-29.58,;5.11,-30.58,;4.78,-32.08,;3.31,-32.54,;2.98,-34.04,;4.12,-35.08,;3.79,-36.59,;5.59,-34.61,;5.92,-33.11,)|
BDBM50427833 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
BDBM50426417 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50427811 CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50427812 CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
BDBM50424717 C(Sc1nnc[nH]1)c1cccc2ccccc12
BDBM50424718 Cc1cc(OCCC(O)=O)cc(C)c1Cl
BDBM50424719 Cc1cc(OCC(O)=O)ccc1Cl
BDBM50424720 Cc1cccc2c(c([nH]c12)C(O)=O)-c1ccccc1
BDBM50424721 Cc1c(oc2c(C)c(C)ccc12)C(O)=O
BDBM50424722 Cc1c(oc2c(C)cccc12)C(O)=O
BDBM50424723 Cc1ccc2c(Cl)c(sc2c1)C(O)=O
BDBM50424724 OC(=O)c1sc2cccc(Cl)c2c1Cl
BDBM50424725 OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
BDBM50424726 Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
BDBM50424727 Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl
BDBM50424728 OC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1
BDBM50424729 Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12
BDBM50424730 Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl
BDBM50424731 OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
BDBM50424732 Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
BDBM50424733 Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl
BDBM50424734 OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
BDBM50424735 Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl
BDBM50424736 Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
BDBM50424737 OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12
BDBM50424738 OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
BDBM50424203 CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
BDBM50424204 CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
BDBM50424205 CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
BDBM50424206 OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
BDBM50424207 CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
BDBM50424208 CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
BDBM50424209 Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
BDBM50424210 CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
BDBM50424211 CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
BDBM50424212 O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
BDBM50424213 CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
BDBM50424214 CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
BDBM50428720 NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
BDBM50428721 CCCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM50428722 Oc1c(Br)cc(Cl)cc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
BDBM50428723 COC1=CC(=N\C1=C\c1[nH]cc(C)c1C)c1cc2ccccc2[nH]1 |c:4,t:2|
BDBM50442292 CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
BDBM50436625 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#7]-[#6@H]-1-2)-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
BDBM50436626 CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1cccc(n1)C(O)=O |w:3.3|
BDBM50436627 Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
BDBM50436628 OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436629 CC(=NNC(=O)c1ccccc1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:2.2|
BDBM50436630 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ncc(s2)-c2ccccc2)o1 |w:15.16|
BDBM50436631 CC(N=Nc1ccc2ccccc2n1)c1ccc(o1)-c1cccc(C(O)=O)c1Cl |w:3.3|
BDBM50436632 CC(N=Nc1nc2ccccc2n1C)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436633 CC(N=Nc1nc2ccccc2o1)c1ccc(o1)-c1cccc(C(O)=O)c1C |w:3.3|
BDBM50436634 CC(N=Nc1nc2ccc(cc2s1)C(F)(F)F)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436635 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(CC(O)=O)c1 |w:3.3|
BDBM50436636 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(N)=O |w:3.3|
BDBM50436637 COC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:16.17|
BDBM50436638 [O-][N+](=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:15.16|
BDBM50436639 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cc(cc(c1)C(O)=O)C(O)=O |w:3.3|
BDBM50436640 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(cc1)C(O)=O |w:3.3|
BDBM50436641 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cc(ccc1Cl)C(O)=O |w:3.3|
BDBM50436642 CC(N=Nc1nc2ccc(Cl)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436643 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
BDBM50436644 CC(N=Nc1nc2cc(Br)ccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436645 OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436646 CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:6.6|
BDBM50436648 CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
BDBM50436649 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc3ccccc3s2)o1 |w:15.16|
BDBM50436650 CC(N=Nc1nc2ccc(Br)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436651 CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cncc(c1)C(O)=O |w:3.3|
BDBM50436652 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(N)c(c1)C(O)=O |w:3.3|
BDBM50436653 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccccc1C(O)=O |w:3.3|
BDBM50436654 CC(N=Nc1nc2c(F)cccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436656 CC(N=Nc1nc2ccc(F)cc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436657 CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cncc(n1)C(O)=O |w:3.3|
BDBM50436658 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(C(O)=O)c1Cl |w:3.3|
BDBM50436659 OC(=O)c1cccc(n1)-c1cccc2C(CCc12)=NNc1nc2ccccc2s1 |w:18.21|
BDBM50436660 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(c(c1)C(O)=O)[N+]([O-])=O |w:3.3|
BDBM50436661 CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1ccc(o1)C(O)=O |w:3.3|
BDBM50436662 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436663 CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436664 CC(N=Nc1nc2ccccc2s1)c1ccc([nH]1)-c1ccc(Cl)c(c1)C(O)=O |w:3.3|
BDBM50436665 CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(C(O)=O)c1C |w:3.3|
BDBM50436666 CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1ccc(o1)C(O)=O |w:3.3|
BDBM50436667 CC(N=Nc1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(c2)C(O)=O)n1C |w:3.3|
BDBM50436668 CC1CCc2ccc(cc2C1=NNc1nc2ccccc2s1)-c1cccc(n1)C(O)=O |w:11.13|
BDBM50436669 [O-][N+](=O)c1cc(ccc1N[C@@H](CSc1ccccc1)CC(=O)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50436670 OC(=O)c1cccc(n1)-c1ccc2CCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
BDBM50436671 CC1(C)CC(=NNc2nc3ccccc3s2)c2cc(ccc2O1)-c1cccc(n1)C(O)=O |w:5.5|
BDBM50436672 OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2(=O)=O)=NNc1nc2ccccc2s1 |w:21.24|
BDBM50436673 OC(=O)c1coc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
BDBM50436674 OC(=O)c1cccc(n1)-c1ccc2OCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436675 OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2=O)=NNc1nc2ccccc2s1 |w:20.23|
BDBM50436676 CC1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:5.5|
BDBM50436677 CC1CC(=NNc2nc3ccccc3s2)c2cc(ccc2C1)-c1cccc(n1)C(O)=O |w:4.4|
BDBM50436678 OC(=O)c1cccc(n1)-c1ccc2SCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50436679 OC(=O)c1cccc(n1)-c1ccc2CCCCC(=NNc3nc4ccccc4s3)c2c1 |w:18.19|
BDBM50436680 OC(=O)c1cccc(n1)-c1ccc2NCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
BDBM50448930 CCCN(C(=O)N[C@@H](CSCC(C)C)C(O)=O)C(=O)c1cccc(c1)C#Cc1ccc(F)cc1F |r|
BDBM50448452 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r|
BDBM50013862 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
BDBM50013863 OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
BDBM50013864 OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
BDBM50013865 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
BDBM50013867 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
BDBM50013890 Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
BDBM50013838 COc1c(I)cc(C=O)c2ccccc12
BDBM50013839 OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
BDBM50020919 OC(=O)c1cccc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
BDBM50020920 OC(=O)c1csc(n1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
BDBM50020921 OC(=O)c1cccc(n1)-c1ccc2cccc(CNc3nc4ccccc4s3)c2c1
BDBM50020922 OC(=O)c1cccc(n1)-c1ccc2cccc(C(=O)Nc3nc4ccccc4s3)c2c1
BDBM50020923 OC(=O)c1cccc(n1)-c1ccc2CCCC(CNc3nc4ccccc4s3)c2c1
BDBM50020924 OC(=O)c1cccc(n1)-c1ccc2CCCC(C(=O)Nc3nc4ccccc4s3)c2c1
BDBM50020925 OC(=O)c1cccc(n1)-c1ccc2CCCN(C(=O)Nc3nc4ccccc4s3)c2c1
BDBM50020926 OC(=O)c1cccc(n1)-c1ccc2ncc(C(=O)Nc3nc4ccccc4s3)n2c1
BDBM50020927 OC(=O)c1cccc(n1)-c1ccc2scc(C(=O)Nc3nc4ccccc4s3)c2c1
BDBM50020928 OC(=O)c1cccc(n1)-c1cn2cccc(C(=O)Nc3nc4ccccc4s3)c2n1
BDBM50020929 OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020930 OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020931 OC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020932 OC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020933 OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020934 OC(=O)c1nc(ccc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020935 OC(=O)c1nc(ccc1\C=C\c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020936 OC(=O)c1nc(ccc1\C=C\Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020937 OC(=O)c1nc(sc1CCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020938 OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50020939 OC(=O)c1nc(sc1CCCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50022566 [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
BDBM50022567 [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
BDBM50022568 [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
BDBM50022583 [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13|
BDBM50022622 [H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7|
BDBM50022655 [H][C@@]12C[C@]3([H])[C@@H](\C=C\C(O)=O)[C@@]4([H])C=C[C@]3([H])[C@]1([H])[C@@]4([H])[C@H]2CCCc1ccc(O)cc1 |r,c:13,TLB:1:17:3.5:13.14,21:19:3.5:13.14,6:5:17.19:13.14,THB:2:3:17.19:13.14,14:15:1.2:19.5.11|
BDBM156394 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM142745 CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
BDBM142746 CC(CNC(=O)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(O)c(O)cc3c1=O)c2=O)c1ccccc1 |(7.36,6.79,;6.02,7.56,;4.69,6.79,;4.69,5.25,;3.36,4.48,;2.02,5.25,;3.36,2.94,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;2.02,2.17,;.69,2.94,;.69,4.48,;-.65,2.17,;-1.98,2.94,;-.65,.63,;-1.98,-.14,;-1.98,-1.68,;-.65,-2.45,;-3.31,-2.45,;-3.31,-3.99,;-4.65,-1.68,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-8.65,-8.61,;-9.98,-9.38,;-9.98,-10.92,;-8.65,-11.69,;-7.31,-10.92,;-7.31,-9.38,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-3.31,.68,;-3.31,2.22,;.69,-.2,;.69,-1.74,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;7.36,11.41,;7.36,9.87,)|
BDBM142748 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-14,;-8.65,-13.23,;-8.65,-11.69,;-9.98,-10.92,;-9.98,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-4.65,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;6.02,13.72,;7.36,14.49,;7.36,11.41,;7.36,9.87,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-7.31,-9.38,;-7.31,-10.92,)|
BDBM142749 Cc1c(-c2c(C)c(=O)c3c(C(=O)Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142750 CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O |(-7.31,-6.3,;-7.31,-4.76,;-8.65,-3.99,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
BDBM142751 Cc1c(-c2c(C)c(=O)c3c(CC4CCCC4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CC3CCCC3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;5.01,6.75,;6.54,6.91,;7.17,5.51,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.56,-3.86,;-9.81,-4.76,;-9.33,-6.23,;-7.79,-6.23,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142752 Cc1c(-c2c(C)c(=O)c3c(CCC4CCCCC4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142753 Cc1c(-c2c(C)c(=O)c3c(CCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM139040 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139041 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139042 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139043 CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139044 CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139045 CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139046 CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139047 CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139048 CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139049 [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139050 CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139051 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139052 CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139053 OCC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM139054 CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM142754 Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-10.92,;-7.31,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;4.69,11.41,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-5.98,-7.07,;-5.98,-8.61,)|
BDBM142755 Cc1c(-c2c(C)c(=O)c3c(CCCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;7.36,9.87,;8.69,9.1,;8.69,7.56,;7.36,6.79,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-11.32,-7.07,;-11.32,-8.61,;-9.98,-9.38,;-8.65,-8.61,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142756 Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM142757 Cc1c(-c2c(C)c(=O)c3c(Cc4ccc(Cl)cc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;8.69,7.56,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-11.32,-7.07,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
BDBM50030751 CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
BDBM50030752 CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
BDBM50030754 CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1
BDBM50030756 CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
BDBM50030757 CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1
BDBM50030758 CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
BDBM50030759 OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50030761 OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50030762 OC(=O)c1nc(sc1CCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50030763 c1nn(-c2ccccc2)c2ncncc12
BDBM50030764 NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1
BDBM50066786 CC(C)(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
BDBM50044920 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044921 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cnc(nc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044922 [O-][S@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044923 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r|
BDBM50044924 CN(C)C(=O)COc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r|
BDBM50044925 CN(C)C(=O)COc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r|
BDBM50044927 CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r|
BDBM50044930 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(nn1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044931 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044932 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CC2(CN(Cc3ccccc3-c3ccc(Cl)cc3)C2)C1 |r|
BDBM50044933 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)P1(=O)CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044934 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044935 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Oc1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044937 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Sc1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044938 [O-][S@@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044940 NCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
BDBM50044942 CCOC(=O)C1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
BDBM50044944 OCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
BDBM50044948 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r|
BDBM50044949 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccncc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044950 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccnc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044952 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1 |r|
BDBM50066791 CCOC(=O)C1=C(C)C(c2ccccc2)n2c(=N1)s\c(=C\n1cc(Cc3ccc(cc3)-c3ccccc3)c3ccccc13)c2=O |c:5,17|
BDBM50066792 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CC(O)=O)Cc3cccc4ccccc34)c2c1 |r|
BDBM50067466 Brc1ccc(C[C@H](N2C(=S)S\C(=C/c3ccc(cc3)-c3ccccc3)C2=O)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
BDBM50067359 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067360 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067361 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM50067362 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM50067363 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067469 CC[C@H](C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM50067475 CC(C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM50066761 OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1
BDBM50066762 CCCN(C(=O)N[C@@H](CSCc1ccc(Br)cc1)C(O)=O)C(=O)c1cccc(c1)C#Cc1ccc(F)cc1F |r|
BDBM50066763 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccc(c2)-c2ccccc2)CC1 |r|
BDBM50066765 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
BDBM50066787 OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
BDBM50066790 Cc1cc(Cl)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O
BDBM50067364 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067365 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067367 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM50067368 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM50067370 COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067371 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067372 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067448 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067449 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM50067450 Clc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM50067354 Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM50067355 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067356 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067357 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r|
BDBM50067451 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM50067454 Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50067458 Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50067460 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50067461 COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50067464 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50030750 OC(=O)c1nc(sc1CCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50030755 CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1
BDBM50030760 OC(=O)c1nc(sc1CCCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50066764 C\C(=N/Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)S(=O)(=O)NC(=O)CCCCCc1ccccc1
BDBM60537 Cc1cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.91,-9.22,;12.43,-9.46,;13.2,-10.8,;14.74,-10.8,;15.51,-9.46,;14.74,-8.13,;13.2,-8.13,;12.04,-7,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.09,2.63,;2.62,2.47,;3.25,3.87,;4.73,4.27,;5.13,5.76,;4.04,6.85,;2.56,6.45,;2.16,4.96,;.77,4.14,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM50078015 CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
BDBM50078016 CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
BDBM50078017 CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
BDBM50078018 CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
BDBM50078019 CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
BDBM50078020 CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:15|
BDBM50078022 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
BDBM50078024 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
BDBM50078025 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1 |c:14|
BDBM50078027 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
BDBM50078028 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
BDBM50078029 CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
BDBM50078030 CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
BDBM50078160 Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
BDBM50078166 OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
BDBM50030749 OC(=O)c1nc(sc1CCCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50086687 Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl
BDBM50086689 Cc1cc(OCCCc2c(C(O)=O)n3CCCc4cccc2c34)cc(C)c1Cl
BDBM50086691 Cc1cc(OCCCc2c(C(O)=O)n3CCCSc4cccc2c34)cc(C)c1Cl
BDBM50086692 Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl
BDBM50086693 Cc1cc(OCCCc2c(C(O)=O)n3CCOc4c(Cl)ccc2c34)cc(C)c1Cl
BDBM50086694 OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3SCCn1c23
BDBM50086695 OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3CCCn1c23
BDBM50086696 OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23
BDBM50086697 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCn1c23
BDBM50086698 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3CCCn1c23
BDBM50086699 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3OCCn1c23
BDBM50086700 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O
BDBM50086701 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCCn1c23
BDBM50086702 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3[S+]([O-])CCCn1c23
BDBM50086703 OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O
BDBM50086704 OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23
BDBM50036201 OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
BDBM50036202 OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
BDBM174838 Cc1cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;12,-11.55,;10.67,-12.32,;9.34,-11.55,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174839 CCc1cc2c(C(=O)CC(C)C)c(O)c(O)cc2c(O)c1-c1c(CC)cc2c(C(=O)CC(C)C)c(O)c(O)cc2c1O |(4,-6.93,;4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;5.33,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;2.67,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174840 CCCCC(CC)CC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)CC(CC)CCCC)c(O)c(O)cc2c1O |(-10.67,-16.94,;-9.34,-16.17,;-9.34,-14.63,;-8,-13.86,;-8,-12.32,;-9.34,-11.55,;-10.67,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-5.33,-9.24,;-4,-10.01,;-4,-11.55,;-2.67,-9.24,;-1.33,-10.01,;-2.67,-7.7,;-4,-6.93,;-4,-5.39,;-2.67,-4.62,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-6.67,-6.93,;-5.33,-7.7,;-5.33,-3.08,;-4,-2.31,;-2.67,-3.08,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-4,3.85,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;-6.67,2.31,;-6.67,3.85,;-8,1.54,;-9.34,2.31,;-8,,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,)|
BDBM174841 Cc1cc2c(C(=O)C3CCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)C3CCCC3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12.08,-7.07,;13.11,-8.22,;12.34,-9.55,;10.83,-9.23,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.49,3.84,;3,4.16,;3.77,2.83,;2.74,1.68,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174842 Cc1cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;4,2.31,;2.67,1.54,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174845 Cc1ccc(CC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)Cc4ccc(C)cc4)c(O)c(O)cc3c2O)cc1 |(10.67,-13.86,;10.67,-12.32,;12,-11.55,;12,-10.01,;10.67,-9.24,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;6.67,-5.39,;8,-4.62,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;9.34,-10.01,;9.34,-11.55,)|
BDBM174843 Cc1cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c1O |(10.67,-4.62,;10.67,-3.08,;12,-2.31,;12,-.77,;13.34,,;14.67,-.77,;14.67,-2.31,;16,,;16,1.54,;17.34,2.31,;18.67,1.54,;18.67,,;20.01,-.77,;20.01,-2.31,;18.67,-3.08,;17.34,-2.31,;17.34,-.77,;13.34,1.54,;14.67,2.31,;12,2.31,;12,3.85,;10.67,1.54,;10.67,,;9.34,-.77,;8,,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;1.33,-5.39,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;4,-6.93,;2.67,-7.7,;5.33,-7.7,;5.33,-9.24,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;9.34,-5.39,)|
BDBM174844 Cc1cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;14.67,-10.01,;16,-10.78,;15.44,-8.68,;13.9,-11.34,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;4,2.31,;2.67,1.54,;5.33,4.62,;6.67,5.39,;6.1,3.29,;4.56,5.95,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174846 Cc1cc2c(C(=O)Cc3cccc(Br)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3cccc(Br)c3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;9.34,-10.01,;9.34,-11.55,;10.67,-12.32,;12,-11.55,;13.34,-12.32,;12,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;-1.33,6.93,;-2.67,6.16,;-4,6.93,;-2.67,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174847 Cc1cc2c(C(=O)Cc3ccc(OC(F)(F)F)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3ccc(OC(F)(F)F)cc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;12,-11.55,;10.67,-12.32,;10.67,-13.86,;9.34,-14.63,;8,-15.4,;10.11,-15.96,;8.57,-13.3,;9.34,-11.55,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;-2.67,9.24,;-4,10.01,;-1.9,10.57,;-3.44,7.91,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM174848 Cc1cc2c(C(=O)CCc3ccc(F)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)CCc3ccc(F)cc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;13.34,-9.24,;14.67,-10.01,;14.67,-11.55,;16,-12.32,;13.34,-12.32,;12,-11.55,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.33,2.31,;1.33,3.85,;,4.62,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-4,6.93,;-1.33,6.93,;,6.16,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
BDBM50044926 CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r|
BDBM50044928 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM50044929 FC(F)(F)S(=O)(=O)c1cc(ccc1-[#7]-[#6@H](-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6]-[#16]-c1ccccc1)S(=O)(=O)[#7]\[#6](=[#6]-1/[#6]-[#8]-[#6]-1)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2-c2ccc(Cl)cc2)-[#6]-[#6]-1 |r|
BDBM50044936 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)C(=O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044939 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50044953 Cn1ncc(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1-c1ccc(Cl)cc1 |r|
BDBM50078021 CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:16|
BDBM50078023 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
BDBM50078026 CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
BDBM50067358 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50067366 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067369 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50067452 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
BDBM50067465 O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM50067468 CSCC[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM50067476 C[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM156376 OCCN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM156377 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156378 CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156380 CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156382 OCCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156383 O[C@H](CF)CN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r|
BDBM156384 O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156385 CCN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156386 CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM50086686 OC(=O)c1c(CCCOc2ccc3CCCCc3c2)c2cccc3SCCn1c23
BDBM50086688 Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)cc(C)c1Cl
BDBM50086705 OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23
BDBM156387 O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCOP(O)(O)=O)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156388 CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156389 CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156390 N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCO)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156391 O[C@@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156392 O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156393 O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156396 FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156397 CCN(CC)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156398 CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156399 OC[C@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
BDBM156400 OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
BDBM156401 OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156402 OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156403 CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r|
BDBM156405 CC(C)(C)OP(O)(=O)OCO[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156406 CCOP(=O)(OCC)O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156407 COP(O)(=O)O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156410 N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156411 CNCC(=O)N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156412 NCC(=O)N[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM156413 CN(C)[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
BDBM185632 Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
BDBM185633 Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
BDBM185634 Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
BDBM178570 CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccc3[nH]ccc3c2)c1)-c1ccc(Cl)cc1
BDBM185635 Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
BDBM185592 COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
BDBM185593 COC1(Cc2cccc(C)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
BDBM185594 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
BDBM185595 CC(=O)N(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185596 CN(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185597 CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185598 CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1 |t:45|
BDBM185599 CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:45|
BDBM185600 CC(=O)\N=c1/sc(nn1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185601 CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185602 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
BDBM185603 Clc1nc2sccn2c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185604 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)N1CCOCC1
BDBM185605 Cc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185606 FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185607 Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185608 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1nc2ccccc2s1
BDBM185609 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cccs1
BDBM185610 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185611 COC(=O)c1ccc(n1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185612 Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1
BDBM185613 Cc1nsc(c1Cl)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185614 Cc1c(sc2ccc(Br)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185615 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(\C=C\c2ncon2)s1
BDBM185616 Cc1nn(CCCl)c(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185617 CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185618 Cc1nn(C)c(Cl)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185619 [O-][N+](=O)c1cc(sc1N1CCCCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185620 Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(o1)-c1ccno1
BDBM185621 Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185622 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
BDBM185623 CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
BDBM185624 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCOCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
BDBM185625 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F
BDBM185626 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
BDBM185627 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:40|
BDBM185628 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:44|
BDBM185629 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
BDBM185630 Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
BDBM185631 Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53|
BDBM209056 OC(=O)c1nc(ccc1-c1cnn(Cc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50127755 COc1ccccc1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
BDBM232409 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232410 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccc(cc2C1)C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232411 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2S(=O)(=O)C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232412 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CNC1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232413 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(CCO)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232414 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232415 CCCCN(CCc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232416 CCCCN(CCCC(F)(F)F)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232417 Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCC(F)(F)F)CCC(F)(F)F
BDBM232418 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2OCCOc2c1
BDBM232419 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(c1)-c1cccc(Cl)c1
BDBM232420 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(cc1)C(=O)OC
BDBM232421 CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232423 CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
BDBM232424 CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232425 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
BDBM232426 CCCCN(CCCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232427 CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232428 CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232429 CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232430 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
BDBM232431 CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
BDBM232432 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232433 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc2CCN(CC)c2c(Br)c1
BDBM232434 CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
BDBM232435 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)ccc2c1
BDBM232436 CCCCN(Cc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
BDBM232437 Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1)C(=O)NCc1ccc(cc1)-c1ccc(CC(O)=O)cc1
BDBM232438 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
BDBM232439 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
BDBM232440 CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1cccc(Cl)c1
BDBM232382 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)cccc2c1
BDBM232383 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232384 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(C#N)c2c1
BDBM232385 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(Cl)cc2c1
BDBM232441 CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.85,1.36,;14.38,.88,;14.06,-.63,;12.6,-1.1,;12.28,-2.61,;10.87,-3.23,;11.03,-4.77,;12.54,-5.09,;13.31,-3.75,;14.84,-3.59,;15.47,-2.19,;17,-2.02,;17.91,-3.27,;19.44,-3.11,;20.34,-4.36,;19.72,-5.76,;20.62,-7.01,;22.15,-6.85,;22.78,-5.44,;24.31,-5.28,;21.87,-4.19,;17.28,-4.68,;15.75,-4.84,;9.89,-5.8,;8.43,-5.32,;10.21,-7.3,;9.07,-8.33,;9.39,-9.84,;9.54,-2.46,;8.21,-3.23,;6.87,-2.46,;6.87,-.92,;8.21,-.15,;9.54,-.92,;9.7,.61,;8.45,1.51,;11.11,1.23,;12.35,.33,;13.76,.95,;13.92,2.49,;15.33,3.11,;15.49,4.64,;14.24,5.55,;12.84,4.92,;12.68,3.39,;11.27,2.76,;5.54,-.15,;5.54,1.39,;4.2,-.92,;2.87,-.15,;2.1,-1.49,;3.64,1.18,;1.54,.62,;1.54,2.16,;.2,2.93,;-1.13,2.16,;-2.46,2.93,;-3.8,2.16,;-3.8,.62,;-2.46,-.15,;-1.13,.62,;.2,-.15,)|
BDBM232442 CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C |(14.47,-6.63,;13.32,-5.6,;11.86,-6.08,;10.71,-5.05,;9.25,-5.53,;8,-4.62,;6.76,-5.53,;7.23,-6.99,;8.77,-6.99,;9.68,-8.24,;11.21,-8.07,;12.11,-9.32,;11.49,-10.73,;9.96,-10.89,;9.05,-9.64,;5.29,-5.05,;4.97,-3.54,;4.15,-6.08,;4.47,-7.59,;3.32,-8.62,;8,-3.08,;9.34,-2.31,;9.34,-.77,;8,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.3,-1.3,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,;8,1.54,;9.34,2.31,;6.67,2.31,;6.67,3.85,;8.21,3.85,;6.67,5.39,;5.13,3.85,;4.36,5.18,;2.82,5.18,;1.28,5.18,;2.82,3.64,;2.82,6.72,)|
BDBM232443 CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;22.18,-8.69,;23.08,-9.93,;24.62,-9.77,;25.24,-8.36,;26.77,-8.2,;24.34,-7.12,;19.74,-7.6,;18.21,-7.76,;12.35,-8.72,;12.67,-10.23,;10.89,-8.25,;9.74,-9.28,;8.28,-8.8,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;6.1,-1.75,;4.56,-4.41,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,-.77,;-1.33,-2.31,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,)|
BDBM232386 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCc3ccccc3)cc2c1
BDBM232387 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)C)cc2c1
BDBM232388 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(ccc(Br)c2c1)N(C)C
BDBM232389 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCCN3CCOCC3)c2c1
BDBM232444 CCCCc1c(c(CO)nn1-c1ccc(OCC(O)CO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;12.35,-8.72,;12.67,-10.23,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;24.34,-7.12,;24.96,-5.71,;25.24,-8.36,;26.77,-8.2,;19.74,-7.6,;18.21,-7.76,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;4.56,-4.41,;6.1,-1.75,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)|
BDBM232445 CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232446 CCCCN(CCCC)C(=O)c1cn(CC(=O)NC)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232447 CCCCN(CCCC)C(=O)c1cn(CCCN(C)C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232390 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCOCC3)cc2c1
BDBM232391 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCN(C)CC3)cc2c1
BDBM232392 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)CN(C)C)cc2c1
BDBM232393 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(CNS(=O)(=O)c2ccc3ccc(OCCC4CCCN4C)cc3c2)cc1C(=O)N1CCc2ccccc2C1
BDBM232449 CCCCN(CCCC)C(=O)c1cn(CCN2CCOCC2)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232450 CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
BDBM232451 CCCCN(CCCC)C(=O)c1cccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232448 CCCCN(CCCC)C(=O)c1cn(CC(O)=O)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cccc2ccccc12
BDBM232394 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN(C)C)cc2c1
BDBM232395 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCCC3)cc2c1
BDBM232396 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
BDBM232397 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1
BDBM232453 CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM232454 CCCCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232452 CCCCN(CCCC)c1ccc(Br)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
BDBM232398 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N1CCN(C)CC1
BDBM232399 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N(C)C
BDBM232400 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCCC1
BDBM232401 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM232402 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCSc3ccccc3)CCc2c1
BDBM232403 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
BDBM232404 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)N1CCOCC1
BDBM232405 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CCCN3CCOCC3)ccc2c1
BDBM232406 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(Cl)c2c1
BDBM232407 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(I)c2c1
BDBM232408 CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)cc(Br)c2c1
BDBM209097 Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209098 CN(C)CCCNc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1[N+]([O-])=O
BDBM209099 OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(F)c(c2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209100 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCCN2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209102 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209103 CN(C)CCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209104 OC(=O)c1nc(ccc1-c1cnn(CC2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209105 CN(C)CC#Cc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209106 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(F)c2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209107 OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209108 OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)ccc2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209109 OC(=O)c1nc(ccc1-c1cnn(Cc2c(F)cccc2F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209110 OC(=O)c1nc(ccc1-c1cnn(CC2CCCOC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209111 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209112 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)-c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209113 CC(C)(C)Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209114 OC(=O)c1nc(ccc1-c1cnn(CCC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209115 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209116 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2-c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209117 Cc1c(cnn1CC1CCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209118 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(C=O)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209119 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1-c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209120 Cc1c(cnn1CC1CCCOC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209121 OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209122 CN(C)Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209123 CS(=O)(=O)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209124 OC(=O)c1nc(ccc1-c1cnn(CC2CCCCC2)c1C1CC1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209125 CC(C)(C)c1cc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc(c1)C(C)(C)C
BDBM209126 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209057 OC(=O)c1nc(ccc1-c1cnn(Cc2cccnc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209127 Cc1c(cnn1CC1CCC(F)(F)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209128 OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209129 OC(=O)c1nc(ccc1-c1cnn(c1)C(c1ccccc1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209130 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2N2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209131 OC(=O)c1nc(ccc1-c1cnn(c1)C(CCN1CCOCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209060 CN(C)CCOc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
BDBM209132 CC(C)(C)OC(=O)N1CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CC1
BDBM209133 Cc1c(cnn1Cc1ccccc1OCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209134 CN(C)c1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209135 Cc1c(cnn1Cc1ccccc1OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209061 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4cc(F)c(F)cc4s3)c2C1
BDBM209062 OC(=O)c1nc(ccc1-c1cnn(CCc2ccc(F)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209063 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(Cl)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209064 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccc(F)cc4s3)c2C1
BDBM209065 COc1ccc2nc(NC(=O)c3cccc4CCN(Cc34)c3ccc(-c4cnn(Cc5ccccc5)c4)c(n3)C(O)=O)sc2c1
BDBM209136 Cc1c(cnn1CC1(C)CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209137 CC1(C)CCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)=C(C1)c1ccc(Cl)cc1 |c:48|
BDBM209138 CCc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209139 Cc1c(cnn1CC1CCC2CC(C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:6:7:14:11|
BDBM209140 Cc1c(cnn1CC1CCC2C[C@@H](C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r|
BDBM209066 Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
BDBM209067 Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209068 COc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209069 OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(Cl)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209141 CC(C)CC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209142 COCCC1(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209143 COCCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209144 COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209145 Cc1c(cnn1CC1CC2C[C@H]1C=C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r,c:14|
BDBM209058 OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(O)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209070 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(OCc3ccccc3)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209071 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(O)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209072 CN(C)CCOc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209073 Cc1nn(Cc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209074 Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209146 CC1(C)CCCC(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)C1
BDBM209147 COCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209148 COCCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209149 COC(=O)C(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209150 OC(=O)c1nc(ccc1-c1cnn(c1)C(CC1CCCCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209075 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4cccc(Cl)c4s3)c2C1
BDBM209076 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(n2)N2CCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209077 OC(=O)c1nc(ccc1-c1cnn(c1)-c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209078 OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209079 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2Cl)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209101 CN(C)CCCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209151 COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209152 Cc1c(cnn1Cc1ccccc1OCC(C)(CO)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209153 Cc1c(cnn1Cc1ccccc1OCC1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209154 Cc1c(cnn1Cc1ccccc1OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM50130040 [O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50130043 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O |r|
BDBM209080 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccn2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209081 OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nc1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209082 OC(=O)c1nc(ccc1-c1cnn(Cc2ccc3ccccc3c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209083 Cc1noc(n1)-c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209155 COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209059 CC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209084 Cc1c(c(CO)nn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(.33,6.8,;1.66,6.03,;2.29,4.62,;3.82,4.79,;4.85,3.64,;6.35,3.96,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
BDBM209085 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209086 Cc1c(cnn1Cc1cccc(n1)N1CCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209087 CCOC(=O)c1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(8.34,5.75,;6.83,5.43,;6.35,3.96,;4.85,3.64,;4.37,2.18,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
BDBM209088 CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
BDBM209089 Cc1c(c(nn1Cc1ccccc1)C(O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(.33,6.8,;1.66,6.03,;2.29,4.62,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;4.85,3.64,;4.37,2.18,;6.35,3.96,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)|
BDBM209090 OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209091 OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209092 OC(=O)c1nc(ccc1-c1cnn(CCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209093 OC(=O)c1nc(ccc1-c1cnn(c1)C1CCOc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209094 CN(C)CCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209095 Cc1c(cnn1Cc1ccccc1F)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209096 OC(=O)c1nc(ccc1-c1cnn(CC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209220 COC1(Cn2nnc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
BDBM209221 Cc1c(cnn1CC1(CCCCC1)OCCN1CCS(=O)(=O)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209222 Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209223 Cc1c(cnn1CC1(CCCCC1)OCCO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209224 COCC(COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1)OC
BDBM209226 COCCOC1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
BDBM209227 Cc1c(cnn1CC1(CCCCCC1)OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209228 Cc1c(cnn1CC1(CCCCC1)OCC(=O)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209156 OC(=O)c1nc(ccc1-c1ccc(Oc2ccccc2)cc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209157 OC(=O)c1nc(ccc1-c1cccc(Oc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209158 OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209159 OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(Cl)cc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209160 OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209161 Cc1c(CC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209162 Cc1ccc(cc1Oc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209163 Cc1ccc(Oc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209164 Cc1c(Oc2ccccc2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209165 Cc1cc(Oc2ccccc2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209229 Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209230 CN(C)C1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209231 CN(C(=O)C1CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209232 Cc1c(cnn1CC1(CCCC(C)(C)C1)OCCS(C)(=O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209166 Cc1c(OCC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209167 Cc1cc(OC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209168 Cc1c(OC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209169 Cc1cc(OCC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209170 OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209233 CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209235 CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
BDBM209236 OC(=O)c1nc(ccc1-c1cccc(N2CCCC2C23CC4CC(CC(C4)C2)C3)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:26:25:28:20.21.22,THB:24:25:20:28.22.23|
BDBM209237 Cc1c(ccnc1N1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209171 OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1Cl)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209172 Cc1c(NC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209173 OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209174 OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C(F)(F)F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209175 Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209238 COCCC(C1CCCCC1)n1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209239 CNCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
BDBM209240 Cc1c(cnn1CC1(C)CCCC(C)(C)O1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209241 OC(=O)c1nc(ccc1-c1cccc2n(Cc3ccccc3)ncc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209242 OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)c2cnccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209176 OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209177 CCOC(=O)c1cc(c(C)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209178 Cc1c(cc(C(O)=O)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209179 OC(=O)c1nc(ccc1-c1ccn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209180 Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209181 OC(=O)c1nc(ccc1-c1ccn(c1)C(=O)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209182 OC(=O)c1nc(ccc1-c1ccn(c1)S(=O)(=O)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209183 Cc1c(cc(C#N)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209184 Cc1c(cc(C#N)n1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209185 CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
BDBM209186 OC(=O)c1nc(ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209187 OC(=O)c1nc(ccc1-c1ccc2CN(Cc3ccccc3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209188 COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
BDBM209189 OC(=O)c1nc(ccc1-c1cnn(CC2CCNCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209190 OC(=O)c1nc(ccc1-c1ccc2CN(Cc3ccccn3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209191 OC(=O)c1nc(ccc1-c1ccc2CN(CCC3CCCCC3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209192 Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209193 OC(=O)c1nc(ccc1-c1ccnc(OC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209194 OC(=O)c1nc(ccc1-c1ccnc(Oc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209195 OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)c2ncccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209196 Cc1c(Oc2ccccc2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209197 CN(c1ccccc1)c1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209198 COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM209199 Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209200 COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
BDBM209201 COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
BDBM209202 COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
BDBM209203 OC(=O)c1nc(ccc1-c1cnn(CC2CCCCO2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209204 COCC[C@@H]1[C@H]2C[C@@H](CC1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C1)C2(C)C |r,TLB:3:4:47:6|
BDBM209205 COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
BDBM209206 Cc1c(cnn1C(CCN1CCOCC1)C1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209207 OC(=O)c1nc(ccc1-c1ccc2n(Cc3ccccc3)ncc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209208 Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209209 Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209210 CN(c1ccccc1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209211 COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
BDBM209212 Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r|
BDBM209213 Cc1c(NCC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209214 Cc1c(cnn1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
BDBM209215 CN(Cc1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)C1CCCCC1
BDBM209216 COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
BDBM209217 CC1N(CCc2cccc(C(=O)Nc3nc4ccccc4s3)c12)c1ccc(-c2cnn(CC3(C)CCCCC3)c2C)c(n1)C(O)=O
BDBM209218 CN(C1CCCCC1)c1nccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N
BDBM209219 COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
BDBM232422 CCCCN(CCCC)C(=O)c1nn(cc1C)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50127754 Cc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
BDBM50140247 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]1CNC[C@@H]1NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50127756 COc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
BDBM50127757 Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
BDBM50127758 OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(Br)cc3)cc2)cc1
BDBM50127759 OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(I)cc3)cc2)cc1
BDBM50130041 Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2cccc(C)c2)C1=O |r|
BDBM50130042 Cc1cccc(c1)-c1ccc(C[C@@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
BDBM50130048 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
BDBM50189877 Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
BDBM50159953 CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
BDBM50159989 CC(C)CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(16.26,7.95,;15.66,6.87,;16.29,5.81,;14.12,6.85,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
BDBM50159991 CC(C)CCNc1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
BDBM50159993 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccncc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
BDBM50159995 CN(CCc1ccccc1)c1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(11.71,3.08,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
BDBM50159996 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NCCc2ccccc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;8.78,2.77,)|
BDBM50160021 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.33,8.17,;14.08,9.52,;15.62,9.54,;16.41,8.22,;15.66,6.87,;16.45,5.55,;17.68,5.57,;15.85,4.47,;17.08,4.49,;8.78,2.77,)|
BDBM50160061 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccn2C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;16.47,6.11,;8.78,2.77,)|
BDBM50160064 CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(14,4.44,;13.37,5.5,;13.97,6.58,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
BDBM50160065 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccoc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;8.78,2.77,)|
BDBM50189878 COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
BDBM50159997 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NC2Cc3ccccc3C2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.32,5.64,;13.64,7.14,;14.98,7.91,;14.96,9.47,;13.62,10.23,;12.28,9.44,;12.3,7.9,;11.17,6.86,;8.78,2.77,)|
BDBM50162727 [O-][N+](=O)c1cc(ccc1NC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCOC2)c2ccc(Cl)cc2)CC1 |t:36|
BDBM50160063 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(c2)C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;13.28,10.84,;13.88,11.91,;12.05,10.82,;12.65,11.89,;8.78,2.77,)|
BDBM50162774 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
BDBM50162797 Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8|
BDBM50159956 Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
BDBM50195312 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
BDBM50195316 Cc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
BDBM50195317 COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
BDBM50206480 CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
BDBM50195306 Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50195307 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
BDBM50195309 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
BDBM50195319 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
BDBM50195310 COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
BDBM50195311 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
BDBM50195321 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1
BDBM50195322 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
BDBM50195323 Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
BDBM50195314 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)C(=O)c1ccccc1
BDBM50195315 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
BDBM50195318 [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1
BDBM50195320 COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
BDBM50195308 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
BDBM50195313 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
BDBM50231390 CC(C)C[C@H](NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM50231392 Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r|
BDBM50231393 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12 |r|