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240 SMILES Strings for Anthrax Lethal Factor (LF)

Compound NameSMILES String
BDBM19 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
BDBM8436 OC(=O)CN1C(=S)S\C(=C/c2ccco2)C1=O
BDBM8437 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
BDBM8438 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
BDBM8439 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2N(=O)=O)C1=O
BDBM8440 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O
BDBM8441 COc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1
BDBM8442 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
BDBM8443 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
BDBM8444 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O
BDBM8414 COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O
BDBM8415 Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)o1
BDBM8416 Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
BDBM8417 Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O
BDBM8418 O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1cccc(c1)N(=O)=O
BDBM8419 O=C1N(CCc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1N(=O)=O
BDBM8420 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O
BDBM8421 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O
BDBM8422 O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1ccc(cc1)N(=O)=O
BDBM8423 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)o1
BDBM8424 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1
BDBM8425 Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1
BDBM8426 Clc1cc(ccc1Br)-c1ccc(\C=C2/SC(=S)NC2=O)o1
BDBM8427 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1
BDBM8428 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(I)cc2)C1=O
BDBM8429 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)N(=O)=O)o1
BDBM8430 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O
BDBM8431 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)o1
BDBM8432 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O
BDBM8433 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
BDBM8434 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
BDBM8435 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
BDBM8447 OC(=O)CN1C(=S)S\C(=C/c2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)s2)C1=O
BDBM8448 OC(=O)CN1C(=S)S\C(=C/c2nccs2)C1=O
BDBM8449 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Cl)cc2)C1=O
BDBM8475 CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NO |r|
BDBM8476 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NO |r|
BDBM8477 CC(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
BDBM8478 CC(C)[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)NO |r|
BDBM8479 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8481 CC(C)[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)NO |r|
BDBM8482 CC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO |r|
BDBM8483 CC(C)[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)NO |r|
BDBM8484 CCCCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
BDBM8485 CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
BDBM8486 CC(C)[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(C)c1)C(=O)NO |r|
BDBM8487 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
BDBM8488 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO |r|
BDBM8480 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)NO |r|
BDBM8490 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(CO)c1)C(=O)NO |r|
BDBM8491 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1CO)C(=O)NO |r|
BDBM8492 CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)NO |r|
BDBM8493 CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)-c1cnns1)C(=O)NO |r|
BDBM8494 C[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8495 CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8496 CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8497 Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C |r|
BDBM8498 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CC1)C(=O)NO |r|
BDBM8489 CC(C)[C@@H](NS(=O)(=O)c1ccc(O)c(C)c1)C(=O)NO |r|
BDBM8502 Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)c1ccccc1 |r|
BDBM8503 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCOCC1)C(=O)NO |r|
BDBM8504 Cc1cc(ccc1F)S(=O)(=O)NC(C1CCOC1)C(=O)NO
BDBM8505 CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8506 CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8507 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CC1CC1)C(=O)NO |r|
BDBM8508 C[C@H]([C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO)C1CC1 |r|
BDBM8509 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C[NH3+])C(=O)NO |r|
BDBM8499 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCC1)C(=O)NO |r|
BDBM8500 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCC1)C(=O)NO |r|
BDBM8501 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)NO |r|
BDBM8513 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCCN=C(N)[NH3+])C(=O)NO |r,w:16.16|
BDBM8514 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCc1c[nH]c[nH+]1)C(=O)NO |r|
BDBM8515 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] |r|
BDBM8516 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccccc1\[#7]=[#6](\[#7])-[#7] |r|
BDBM8517 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
BDBM8518 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cn1)\[#7]=[#6](/[#7])-[#7] |r|
BDBM8519 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ncccc1\[#7]=[#6](\[#7])-[#7] |r|
BDBM8520 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(\[#7]=[#6](/[#7])-[#7])c2ccccc12 |r|
BDBM8521 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1c(cc(\[#7]=[#6](/[#7])-[#7])c2ccccc12)\[#7]=[#6](\[#7])-[#7] |r|
BDBM8522 NC(N)=NC[C@@H]1C[C@H](CN=C(N)N)[C@H](C[C@H]1O)c1ccc2nc(N)[nH]c2c1 |r,wU:5.4,7.7,wD:15.16,13.17,(2.19,7.78,;2.19,6.24,;3.53,5.47,;.86,5.47,;.86,3.93,;-.47,3.16,;-1.81,3.93,;-3.14,3.16,;-4.48,3.93,;-4.48,5.47,;-5.81,6.24,;-5.81,7.78,;-7.14,5.47,;-3.14,1.62,;-1.81,.85,;-.47,1.62,;.86,.85,;-4.48,.85,;-4.45,-.69,;-5.78,-1.48,;-7.12,-.73,;-8.58,-1.22,;-9.5,.01,;-11.04,-.01,;-8.61,1.27,;-7.14,.81,;-5.82,1.6,)|
BDBM8523 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#7]-c1ccccc1\[#7]=[#6](/[#7])-[#7] |r|
BDBM8524 [#6]-c1cc(-[#7]-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6@H](-[#8]-c3ccc(cc3\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-2-[#6]\[#7]=[#6](\[#7])-[#7])ccc1F |r|
BDBM8525 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]-1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
BDBM8510 C[C@H]([NH3+])C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
BDBM8511 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C(C)(C)[NH3+])C(=O)NO |r|
BDBM8512 Cc1cc(ccc1F)S(=O)(=O)N[C@H](COCC[NH3+])C(=O)NO |r|
BDBM8450 COc1ccc(cc1OC)-c1cnc(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1
BDBM8451 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O
BDBM8452 OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
BDBM8453 CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)cc1
BDBM8454 CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F
BDBM8455 CN1C(NC(O)=O)=NC(=O)C1=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:11.12,c:6|
BDBM8456 FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
BDBM8457 Clc1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
BDBM8458 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(s1)-c1ccccc1
BDBM8459 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2cccs2)C1=O
BDBM8460 Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
BDBM8461 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
BDBM8462 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(F)cc2)C1=O
BDBM8463 OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
BDBM8464 [#6]-[#8]-c1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
BDBM8465 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
BDBM8466 COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
BDBM8467 CC(C)[C@@H](N(Cc1cccnc1)C(C)=O)C(=O)NO |r|
BDBM8468 COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(O)C1=O |r|
BDBM8469 CC(C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)NO |r|
BDBM8470 COc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)[C@H](C(C)C)C(=O)NO |r|
BDBM8471 COc1ccc(cc1)S(=O)(=O)N(CCc1ccsc1)[C@H](C(C)C)C(=O)NO |r|
BDBM8472 COc1ccc(cc1)S(=O)(=O)N(CCn1ccnc1)[C@H](C(C)C)C(=O)NO |r|
BDBM8445 OC(=O)CN1C(=S)S\C(=C/c2cccs2)C1=O
BDBM8446 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccc(Cl)cc2)C1=O
BDBM8473 CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NO |r|
BDBM8474 CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NO |r|
BDBM8580 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
BDBM11994 Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
BDBM11997 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM11998 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM11999 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12000 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12001 [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM12002 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12003 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12004 [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#7] |r|
BDBM12005 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12006 [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM12007 [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM12008 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
BDBM12009 [#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@@H]-1-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-1\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
BDBM12010 [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1\[#7]=[#6](\[#7])-[#7] |r|
BDBM12011 [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM12012 [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@H](-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8]-[#6])-[#6@H]-2-[#8]-[#6])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#8]-[#6] |r|
BDBM11995 Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O
BDBM11996 Cc1ccc(C)n1-c1ccc(CC(O)=O)cc1
BDBM11976 OC(=O)c1cc(Cl)ccc1-c1ccc(\C=c2\sc3nc(=O)c4c5CCCCc5sc4n3c2=O)o1
BDBM11977 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2ccc(Br)cc2C(O)=O)C1=O)C(F)(F)F |c:11|
BDBM11978 O=[#6](\[#6]=[#6]\c1ccco1)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#6]-[#16]-1
BDBM11979 OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
BDBM11980 Oc1ccc(C=C2NC(=S)NC2=O)c(O)c1 |w:5.4|
BDBM11981 CSc1ccc(\C=C2/N=C(N(NS(=O)(=O)c3ccc(Cl)c(c3)C(O)=O)C2=O)c2ccccc2)cc1 |c:8|
BDBM11982 NC(CSCc1oc(cc1C(O)=O)-c1ccccc1)C(O)=O
BDBM11983 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)s1
BDBM11984 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=N/c2sc3CCCCc3c2C#N)o1
BDBM11985 Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
BDBM11986 COc1ccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)cc1Br
BDBM11987 OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
BDBM11988 OC(=O)c1cc(Nc2nc3ccccc3s2)n(n1)-c1ccc(cc1)S(O)(=O)=O
BDBM11989 CC(C)c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)cc1 |w:7.6|
BDBM11990 NS(=O)(=O)c1ccc(cc1)-c1ccc(C=c2c(=O)[nH]c(O)c(C#N)c2=C)o1 |w:14.14|
BDBM11991 OC(=O)c1cc2COCOc2c(C=Nc2ccc(cc2)S(=O)(=O)NC2SCC=N2)c1 |w:13.14,c:29|
BDBM11992 OC(=O)c1cccc(c1)-c1ccc(C=C2C(=O)NN(C2=O)c2cccc(Cl)c2)o1 |w:13.13|
BDBM11993 OC(=O)c1cc(ccc1Cl)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccc(Cl)cc2)c1=O |w:15.16|
BDBM27849 Oc1c(occc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
BDBM27850 Oc1c(occc1=O)C(=O)NCc1ccc(F)cc1
BDBM27851 COc1ccc(CNC(=O)c2occc(=O)c2O)cc1
BDBM27852 Oc1c(occc1=O)C(=O)NC(c1ccccc1)c1ccccc1
BDBM27853 COc1ccccc1CNC(=O)c1occc(=O)c1O
BDBM27854 COc1cccc(CNC(=O)c2occc(=O)c2O)c1
BDBM27855 Oc1c(occc1=O)C(=O)NCc1ccccc1
BDBM27856 CCNC(=O)c1occc(=O)c1O
BDBM27857 On1c(cccc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
BDBM27858 On1c(cccc1=O)C(=O)NCc1ccc(F)cc1
BDBM27859 Oc1c(occc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
BDBM27860 Oc1c(occc1=S)C(=O)NCc1ccc(F)cc1
BDBM27861 COc1ccc(CNC(=O)c2occc(=S)c2O)cc1
BDBM27862 Oc1c(occc1=S)C(=O)NC(c1ccccc1)c1ccccc1
BDBM27863 COc1ccccc1CNC(=O)c1occc(=S)c1O
BDBM27864 COc1cccc(CNC(=O)c2occc(=S)c2O)c1
BDBM27865 Oc1c(occc1=S)C(=O)NCc1ccccc1
BDBM27866 CCNC(=O)c1occc(=S)c1O
BDBM27867 On1c(cccc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
BDBM27869 Oc1c(occc1=S)C(=S)NCc1ccc(cc1)-c1ccccc1
BDBM27868 On1c(cccc1=S)C(=O)NCc1ccc(F)cc1
BDBM27870 Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1
BDBM27871 COc1ccc(CNC(=S)c2occc(=S)c2O)cc1
BDBM27872 Oc1c(occc1=S)C(=S)NC(c1ccccc1)c1ccccc1
BDBM27873 COc1ccccc1CNC(=S)c1occc(=S)c1O
BDBM27874 COc1cccc(CNC(=S)c2occc(=S)c2O)c1
BDBM27875 Oc1c(occc1=S)C(=S)NCc1ccccc1
BDBM27876 CCNC(=S)c1occc(=S)c1O
BDBM28844 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O
BDBM28845 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2Cl)[N+]([O-])=O)C1=O
BDBM28846 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O
BDBM28847 OC(=O)CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O)C(O)=O
BDBM28848 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1
BDBM28849 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
BDBM28850 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O
BDBM28851 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
BDBM28852 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
BDBM28853 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
BDBM28854 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O)c1ccccc1
BDBM28855 Clc1cccc(-c2ccc(\C=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2)c1Cl
BDBM28856 Clc1ccc(-c2ccc(\C=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2)c(Cl)c1
BDBM28857 Clc1ccc(Cl)c(c1)-c1ccc(\C=C2/SC(=S)N(CC3CCCO3)C2=O)o1
BDBM28859 CC(C)(C)OC(=O)N1CCC(CC1)c1nc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cs1
BDBM28860 Cc1nc(c(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1)-c1ccccc1
BDBM28861 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccco2)C1=O
BDBM28862 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccccc2)C1=O
BDBM28863 Cc1ccc(cc1)-c1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)no1
BDBM28864 COc1ccc(cc1)-c1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)no1
BDBM28865 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(Cl)cc2)C1=O
BDBM28866 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(F)cc2)C1=O
BDBM28867 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(Br)cc2)C1=O
BDBM28868 OC(=O)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccc(cc2)C(F)(F)F)C1=O |w:9.9|
BDBM28869 OC(=O)CN1C(=S)SC(=Cc2cc(n[nH]2)-c2ccc(Cl)cc2)C1=O |w:9.9|
BDBM28870 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
BDBM28871 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccccc2)-c2ccccc2)C1=O
BDBM28872 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCOCC2)-c2ccccc2)C1=O
BDBM28873 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccnc2)-c2ccc(F)cc2F)C1=O
BDBM28874 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(F)cc2)-c2ccc(F)cc2)C1=O
BDBM28875 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)C1=O
BDBM28876 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccc(Br)cc2)C1=O
BDBM28877 COc1ccc(cc1C)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
BDBM28878 CCOc1ccc(-c2nn(cc2\C=C2/SC(=S)N(CC(O)=O)C2=O)-c2ccccc2)c(C)c1
BDBM28879 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
BDBM28880 CC1Cc2cc(ccc2O1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
BDBM28881 COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
BDBM28882 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
BDBM28883 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCOCC2)-c2ccccc2)C1=O
BDBM28884 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O
BDBM28885 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cn(nc1-c1ccccc1)-c1ccccc1
BDBM28886 Clc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
BDBM28887 CCOc1ccc(cc1F)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
BDBM28888 OC(=O)CN1C(=S)S\C(=C/c2sc(Br)c3OCCOc23)C1=O
BDBM28889 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)N2CCOCC2)C1=O
BDBM28890 OC(=O)CN1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
BDBM28891 OC(=O)CN1C(=S)S\C(=C/c2cccc(c2)N2CCCC2)C1=O
BDBM28892 CN1CCCN(CC1)c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
BDBM28893 OC(=O)CN1C(=S)S\C(=C/c2cccc(c2)-n2cccn2)C1=O
BDBM28894 OC(=O)CN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
BDBM28895 Cc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2n1
BDBM28896 OC(=O)CN1C(=S)S\C(=C/c2cccc3c4ccccc4oc23)C1=O
BDBM28898 OC(=O)CN1C(=S)S\C(=C/c2csc3ccccc23)C1=O
BDBM28899 OC(=O)CN1C(=S)S\C(=C/c2csc3ccc(Br)cc23)C1=O
BDBM28900 OC(=O)CN1C(=S)S\C(=C/c2cc3nccnc3s2)C1=O
BDBM28901 OC(=O)CN1C(=S)S\C(=C/c2c[nH]c3ccccc23)C1=O
BDBM28902 OC(=O)CN1C(=S)S\C(=C/c2c[nH]c3ccc(Br)cc23)C1=O
BDBM28903 OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc12
BDBM28904 Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
BDBM28858 Cc1nc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c(C)o1
BDBM28897 OC(=O)CN1C(=S)S\C(=C/c2cccc(Br)n2)C1=O