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364 SMILES Strings for Carbonic anhydrase

Compound NameSMILES String
BDBM50344898 O=[Ru-](=O)(=O)=O
BDBM4703 NS(=O)(=O)c1ccc(cc1)C(O)=O
BDBM10860 NCc1ccc(cc1)S(N)(=O)=O
BDBM10861 NCCc1ccc(cc1)S(N)(=O)=O
BDBM10862 Nc1ccc(cc1F)S(N)(=O)=O
BDBM10863 Nc1ccc(cc1Cl)S(N)(=O)=O
BDBM10864 Nc1ccc(cc1Br)S(N)(=O)=O
BDBM10865 Nc1ccc(cc1I)S(N)(=O)=O
BDBM10866 Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F
BDBM10867 Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
BDBM10868 Nc1nnc(s1)S(N)(=O)=O
BDBM10869 Cn1nc(sc1=N)S(N)(=O)=O
BDBM10870 Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
BDBM10871 Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
BDBM10872 Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
BDBM10885 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
BDBM10887 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
BDBM10888 NS(=O)(=O)Cc1noc2ccccc12
BDBM10889 COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O
BDBM10890 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
BDBM10855 Nc1ccccc1S(N)(=O)=O
BDBM10857 Nc1ccc(cc1)S(N)(=O)=O
BDBM10858 NNc1ccc(cc1)S(N)(=O)=O
BDBM10859 Cc1ccc(cc1)S(N)(=O)=O
BDBM10880 CC(=O)Nc1nnc(s1)S(N)(=O)=O
BDBM10881 CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
BDBM10882 CCOc1ccc2nc(sc2c1)S(N)(=O)=O
BDBM10883 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
BDBM10884 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
BDBM10886 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
BDBM10873 Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
BDBM10874 NS(=O)(=O)c1nc2ccc(O)cc2s1
BDBM10875 NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
BDBM10876 NS(=O)(=O)c1ccc(CO)cc1
BDBM10877 NS(=O)(=O)c1ccc(CCO)cc1
BDBM10879 NNc1ccccc1S(N)(=O)=O
BDBM11611 Nc1c(Br)cc(cc1Br)S(N)(=O)=O
BDBM11613 Nc1c(I)cc(cc1I)S(N)(=O)=O
BDBM11625 Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
BDBM11635 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
BDBM11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
BDBM13063 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM13076 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
BDBM16654 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
BDBM26982 [N-]=C=O
BDBM26983 [N-]=C=S
BDBM26984 [C-]#N
BDBM26985 [N-]=[N+]=[N-]
BDBM26986 OC([O-])=O
BDBM26987 [O-]C([O-])=O
BDBM26989 [O-]N=O
BDBM26990 [SH-]
BDBM26991 OS([O-])=O
BDBM26992 [O-]S([O-])(=O)=O
BDBM26993 F[B-](F)(F)F
BDBM26994 NS(O)(=O)=O
BDBM26995 NS(N)(=O)=O
BDBM26996 OB(O)c1ccccc1
BDBM26997 O[As](O)(=O)c1ccccc1
BDBM26999 NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
BDBM26187 Oc1ccccc1
BDBM25904 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
BDBM25905 Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN |(-3.28,7.1,;-1.8,7.52,;-1.42,9.01,;.06,9.43,;1.17,8.36,;.79,6.86,;-.69,6.44,;-1.17,4.98,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,;1.28,3.73,;2.05,2.4,;2.05,5.07,;3.59,5.07,)|
BDBM25906 Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
BDBM25907 Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
BDBM25908 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1F)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
BDBM25909 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O
BDBM25910 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O
BDBM25911 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Cl)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
BDBM25912 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O
BDBM25913 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Cl)cc1)S(N)(=O)=O
BDBM25914 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
BDBM25915 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Br)c1)S(N)(=O)=O
BDBM25916 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Br)cc1)S(N)(=O)=O
BDBM25917 COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
BDBM26132 OB(O)c1ccc(cc1)-c1ccccc1
BDBM26133 COc1ccc(cc1)B(O)O
BDBM26142 OB(O)CCc1ccccc1
BDBM26143 OB(O)\C=C\c1ccc(cc1)-c1ccccc1
BDBM26188 Oc1ccccc1O
BDBM26189 Oc1cccc(O)c1
BDBM26190 Oc1ccc(O)cc1
BDBM26193 OC(=O)c1ccccc1O
BDBM26194 OC(=O)c1ccc(O)cc1
BDBM29277 NS(=O)(=O)c1ccc(CCC(O)=O)cc1
BDBM29278 O=C1NS(=O)(=O)c2ccccc12
BDBM33274 CN(C)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
BDBM33275 NS(=O)(=O)c1cccc(c1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1
BDBM33276 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
BDBM33277 [O-]S(=O)(=O)CNc1ccccc1
BDBM33278 CN(CS([O-])(=O)=O)c1ccccc1
BDBM33266 NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|
BDBM33267 Nc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
BDBM33268 CNc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
BDBM33269 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
BDBM33270 NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1
BDBM33271 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
BDBM33272 NS(=O)(=O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.10|
BDBM33273 Nc1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
BDBM36130 F[P-](F)(F)(F)(F)F
BDBM36131 [O-][Cl](=O)(=O)=O
BDBM36182 CCCCC([O-])=O
BDBM50607 Oc1ccc(cc1)C(=O)\C=C\c1cccnc1
BDBM54376 CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
BDBM60986 Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
BDBM81920 NS(=O)(=O)c1ccc(O)cc1
BDBM92964 [O-]C(=O)C([O-])=O
BDBM92494 OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
BDBM50278314 [O-][Os]([O-])(=O)(=O)=O
BDBM50152966 O[B-](O)(O)c1ccccc1
BDBM11639 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM50010231 CCN(CC)C([S-])=S
BDBM50031472 Oc1cccc(O)c1O
BDBM50067913 OB(O)c1ccc2ccccc2c1
BDBM50067892 OB(O)c1ccc(Br)cc1
BDBM50067895 Cc1ccc(cc1)B(O)O
BDBM50079047 Nc1cccc(c1)S(N)(=O)=O
BDBM50079401 CCCC([O-])=O
BDBM50080733 Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50085536 OC(=O)c1cc(O)c(O)c(O)c1
BDBM50100861 OC(=O)c1ccc(O)c(O)c1
BDBM50130701 [O-][Se]([O-])(=O)=O
BDBM50146756 NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
BDBM50153977 N=[N+]=[N-]
BDBM50152965 [O-]N=[CH+]
BDBM50152968 C#N
BDBM50152970 O[N+]([O-])=O
BDBM50155538 [O-]C=O
BDBM50159792 CC(=O)C([O-])=O
BDBM50159793 CC([O-])=O
BDBM50159796 [O-]C(=O)c1c(F)c(F)cc(F)c1F
BDBM50159797 [O-]C(=O)CC([O-])=O
BDBM50216276 COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
BDBM50216277 COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
BDBM50221406 CC(=O)Nc1cc2c(O)c(N=Nc3ccc(cc3)S(N)(=O)=O)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O |w:10.9|
BDBM50258714 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 |(7.26,-10.03,;5.72,-10.03,;4.94,-8.69,;3.41,-8.7,;2.63,-7.37,;2.65,-10.03,;1.11,-10.03,;.34,-11.36,;1.11,-12.69,;-1.2,-11.36,;-2.12,-12.62,;-3.59,-12.14,;-4.92,-12.91,;-6.26,-12.14,;-6.26,-10.59,;-4.93,-9.82,;-3.59,-10.59,;-2.12,-10.11,;-1.64,-8.64,;-.13,-8.33,;.34,-6.86,;-.69,-5.72,;-2.2,-6.04,;-2.67,-7.51,;-4.18,-7.83,;-7.59,-9.82,;-8.93,-9.05,;-6.82,-8.49,;-8.35,-11.16,;3.41,-11.36,;2.64,-12.7,;4.95,-11.36,)|
BDBM50258715 Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
BDBM50258716 Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
BDBM50258634 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(F)c2)S(N)(=O)=O)c(C)c1
BDBM50258635 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1
BDBM50258636 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1 |(7.6,-34.02,;6.06,-34.02,;5.28,-32.69,;3.75,-32.69,;2.97,-31.36,;2.99,-34.02,;1.45,-34.02,;.68,-35.36,;1.45,-36.69,;-.86,-35.36,;-1.77,-36.61,;-3.25,-36.13,;-4.58,-36.9,;-5.92,-36.13,;-5.91,-34.59,;-4.58,-33.82,;-3.25,-34.58,;-1.77,-34.1,;-1.3,-32.64,;.21,-32.32,;.69,-30.86,;-.35,-29.71,;-1.86,-30.04,;-2.33,-31.5,;-3.83,-31.83,;-7.25,-33.82,;-8.59,-33.05,;-6.48,-32.48,;-8.01,-35.15,;3.75,-35.36,;2.98,-36.69,;5.29,-35.36,)|
BDBM50258637 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Cl)c2)S(N)(=O)=O)c(C)c1
BDBM50258792 NC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
BDBM50257201 CCC([O-])=O
BDBM50257203 [O-]C(=O)\C=C/C([O-])=O
BDBM50257204 O[C@@H](CC([O-])=O)C([O-])=O |r|
BDBM50257205 C[C@H](O)C([O-])=O |r|
BDBM50258678 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
BDBM50258679 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1 |(27.27,-43.91,;25.73,-43.92,;24.95,-42.58,;23.41,-42.59,;22.64,-41.25,;22.65,-43.91,;21.11,-43.91,;20.34,-45.25,;21.11,-46.58,;18.8,-45.25,;17.89,-46.5,;16.41,-46.03,;15.08,-46.8,;13.75,-46.03,;13.75,-44.48,;15.08,-43.71,;16.41,-44.47,;17.89,-43.99,;18.36,-42.53,;19.87,-42.21,;20.35,-40.75,;19.32,-39.6,;17.8,-39.93,;17.33,-41.39,;15.83,-41.72,;12.41,-43.71,;11.08,-42.94,;13.18,-42.38,;11.65,-45.05,;23.42,-45.25,;22.64,-46.58,;24.95,-45.25,)|
BDBM50258680 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1
BDBM50258681 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1
BDBM50258298 COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
BDBM50258299 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)|
BDBM50258587 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1
BDBM50258588 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1 |(24.35,-15,;22.81,-15.01,;22.03,-13.67,;20.49,-13.68,;19.72,-12.34,;19.73,-15,;18.19,-15,;17.42,-16.34,;18.19,-17.67,;15.88,-16.34,;14.97,-17.59,;13.5,-17.12,;12.16,-17.89,;10.83,-17.12,;10.83,-15.57,;12.16,-14.8,;13.5,-15.56,;14.97,-15.08,;15.45,-13.62,;16.95,-13.3,;17.43,-11.84,;16.4,-10.69,;14.89,-11.02,;14.42,-12.48,;12.91,-12.81,;9.5,-14.8,;8.16,-14.03,;10.27,-13.47,;8.73,-16.14,;20.5,-16.34,;19.73,-17.67,;22.04,-16.34,)|
BDBM50278312 [O-][Sn]([O-])=O
BDBM50278313 [O-][Te]([O-])(=O)=O
BDBM50278315 [O-]S(=O)(=O)OS([O-])(=O)=O
BDBM50278316 [O-]P([O-])(=O)OP([O-])([O-])=O
BDBM50278318 [O-][Re](=O)(=O)=O
BDBM50278319 [O-]S(=O)(=O)OOS([O-])(=O)=O
BDBM50278320 [N-]=C=[Se]
BDBM50278321 [O-]S(=O)(=O)NS([O-])(=O)=O
BDBM50278322 [O-]S(F)(=O)=O
BDBM50278323 [S-]C([S-])=S
BDBM50294578 OB(O)\C=C\c1ccccc1
BDBM50294579 Cc1ccc(\C=C\B(O)O)cc1
BDBM50294580 OB(O)\C=C\c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
BDBM50294581 OB(O)\C=C\Cc1ccccc1
BDBM50294582 CCCCc1ccc(cc1)B(O)O
BDBM50275011 OB(O)c1ccc(Oc2ccccc2)cc1
BDBM50297924 NS([O-])(=O)=O
BDBM50315410 NNC(O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(13.66,-8.76,;12.3,-8.04,;10.99,-8.85,;11.04,-10.39,;9.64,-8.13,;8.73,-9.38,;7.25,-8.9,;5.92,-9.67,;4.58,-8.9,;4.59,-7.36,;5.92,-6.59,;7.25,-7.35,;8.72,-6.87,;9.49,-5.54,;11.03,-5.54,;11.8,-6.87,;11.8,-4.2,;13.34,-4.2,;11.03,-2.87,;11.79,-1.53,;9.48,-2.88,;8.7,-1.55,;8.72,-4.21,;7.18,-4.22,;3.25,-6.59,;1.92,-7.36,;2.15,-5.49,;4.34,-5.49,)|
BDBM50339599 COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1
BDBM50339600 COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC
BDBM50339601 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1
BDBM50339602 COCCNC(=O)Cc1ccc(O)c(Cl)c1
BDBM50339603 CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
BDBM50339604 CCCCNC(=O)Cc1ccc(O)c(Cl)c1
BDBM50339585 OCCc1ccc(O)cc1
BDBM50339586 OC(=O)Cc1ccc(O)cc1
BDBM50339587 NC(=O)Cc1ccc(O)cc1
BDBM50339588 OC(=O)Cc1ccc(O)c(Cl)c1
BDBM50339589 NC(=O)Cc1ccc(O)c(Cl)c1
BDBM50339590 COC(=O)\C=C\C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r|
BDBM50339591 COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r|
BDBM50339592 COc1cc(C=C2N=C(N)NC2=O)ccc1O |w:5.4,t:7|
BDBM50339593 NC1=NC(=Cc2ccc(O)c(O)c2)C(=O)N1 |w:4.4,t:1|
BDBM50339594 COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12
BDBM50339595 COc1cc(CO)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12
BDBM50339596 COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
BDBM50339597 Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
BDBM50339598 Oc1ccc(CC(=O)NCCc2ccccc2)cc1Cl
BDBM50333131 [O-][V]([O-])(=O)O[V]([O-])([O-])=O
BDBM50333132 [O-]S(=O)(=O)ONOS([O-])(=O)=O
BDBM50334342 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1
BDBM50334343 NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
BDBM50334344 NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
BDBM50334345 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
BDBM50334346 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
BDBM50334347 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50334348 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
BDBM50334349 NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
BDBM50334350 COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1
BDBM50334351 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
BDBM50334355 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
BDBM50334356 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1
BDBM50334357 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
BDBM50334358 NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
BDBM50334359 COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50334360 CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
BDBM50334361 CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50334362 CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
BDBM50334363 CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
BDBM50334364 CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
BDBM50334365 CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
BDBM50334353 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
BDBM50334354 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
BDBM50336490 OC(=O)c1cc(O)cc(O)c1
BDBM50336491 OC(=O)c1cccc(O)c1
BDBM50334352 NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
BDBM50352643 CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
BDBM50352644 CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
BDBM50352645 CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
BDBM50352646 CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
BDBM50344897 O=BO[B-](=O)O[B-](=O)OB=O
BDBM50370987 OB1OCc2cc(F)ccc12
BDBM50382703 CN1CCN(CC1)NC([S-])=S
BDBM50382704 CCC(C)NC([S-])=S
BDBM50382705 [S-]C(=S)NCCN1CCOCC1
BDBM50382706 [S-]C(=S)NCc1ccccc1
BDBM50382707 SC(=S)NCc1ccncc1
BDBM50382708 [S-]C(=S)NCCN1CCCCC1
BDBM50382710 [O-]C(=O)CNC([S-])=S
BDBM50382711 [S-]C(=S)NCCCn1ccnc1
BDBM50382712 CN(C)C([S-])=S
BDBM50382713 [S-]C(=S)N1CCCC1
BDBM50382714 CC(C)CN(CC(C)C)C([S-])=S
BDBM50382715 CCCN(CCC)C([S-])=S
BDBM50382716 CCCCN(CCCC)C([S-])=S
BDBM50382717 CCCCCCN(CCCCCC)C([S-])=S
BDBM50382718 CCCCN(CC)C([S-])=S
BDBM50382719 OCCN(CCO)C([S-])=S
BDBM50382720 CN(C([S-])=S)c1ccccc1
BDBM50382721 CN(Cc1ccccc1)C([S-])=S
BDBM50382722 [S-]C(=S)N1CCN(CC1)C([S-])=S
BDBM50382724 [O-]C(=O)[C@@H]1CCCN1C([S-])=S |r|
BDBM50382725 SC(=S)Nc1ccccc1
BDBM50382726 [S-]C(=S)NN1CCOCC1
BDBM50382728 [S-]C(=S)N1CCOCC1
BDBM50399075 Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
BDBM50399076 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3ncccc3-c12
BDBM50399077 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(ccc3-c12)C(F)(F)F
BDBM50399078 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12
BDBM50399079 COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O
BDBM50387127 NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1
BDBM50387128 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50387133 NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
BDBM50387134 NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1
BDBM50387138 NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
BDBM50387158 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1
BDBM50387114 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1
BDBM50387116 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
BDBM50427222 NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2CO)[N+]([O-])=O)cc1
BDBM50427223 NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
BDBM50427224 NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
BDBM50433073 NS(=O)(=O)Oc1ccc(NC(=O)NCc2ccccc2)cc1
BDBM50433074 NS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1
BDBM50433075 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1
BDBM50433076 NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1
BDBM50428615 NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1
BDBM50428618 NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
BDBM50428619 CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
BDBM50428621 NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
BDBM50428623 Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1
BDBM50428624 NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1
BDBM50428625 NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
BDBM50428626 NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
BDBM50428627 CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1
BDBM50428628 NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1
BDBM50428441 [S-]C(=S)N1CCC(CC1)c1ccc(cc1)C#N
BDBM50428443 [S-]C(=S)Nc1cccs1
BDBM50428444 [S-]C(=S)NCCN(CCNC([S-])=S)CNC([S-])=S
BDBM50013792 CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
BDBM50028010 OS(=N)(=O)Cc1noc2ccccc12
BDBM50098590 [Na+].[Se-]C#N
BDBM50098560 [Na+].[Br-]
BDBM50098587 [Na+].[S-]C#N
BDBM50098588 [Na+].[O-][N+]([O-])=O
BDBM50098562 [Na+].[O-]C#N
BDBM50098561 [Na+].[I-]
BDBM50130745 Cc1ccc2NC(=O)\C(=N/c3cccc(c3)S(N)(=O)=O)c2c1
BDBM50101993 [Na+].[Na+].[O-]S([O-])(=O)=O
BDBM50102097 [Na+].[O-][Cl](=O)(=O)=O
BDBM50098589 [Na+].[Na+].[O-]B(OB=O)OB([O-])OB=O
BDBM26980 [Br-]
BDBM26979 [Cl-]
BDBM26978 [F-]
BDBM26981 [I-]
BDBM50147211 NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50158510 NS(=O)(=O)c1ccc(cc1)N=C1C(=O)Nc2ccccc12
BDBM50158513 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(C)ccc12
BDBM50158514 NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(F)cc12
BDBM50158515 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc12
BDBM50158516 NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(Cl)cc12
BDBM50158517 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
BDBM50158518 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
BDBM50158519 NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
BDBM50158520 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2cc(ccc12)[N+]([O-])=O
BDBM50158521 NS(=O)(=O)c1ccccc1\N=C1/C(=O)Nc2ccccc12
BDBM50158522 Cc1ccc2NC(=O)\C(=N/c3ccccc3S(N)(=O)=O)c2c1
BDBM50158523 NS(=O)(=O)c1ccccc1\N=C1/C(=O)Nc2ccc(F)cc12
BDBM50158524 NS(=O)(=O)c1ccccc1\N=C1/C(=O)Nc2ccc(Cl)cc12
BDBM50158525 NS(=O)(=O)c1ccccc1\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
BDBM50158526 NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccccc12
BDBM50158527 NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(F)cc12
BDBM50158529 NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12
BDBM50158530 NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
BDBM60995 [O-][N+]#[C-]
BDBM248148 CNCCNCc1cc(ccc1O)C(=O)\C=C\c1cccnc1
BDBM50158511 CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12
BDBM50158509 NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
BDBM50158512 Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)S(N)(=O)=O)c2c1
BDBM62293 [S-]C#N
BDBM248152 Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1ccccn1
BDBM248151 Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1ccccn1
BDBM248143 Oc1ccc(cc1)C(=O)\C=C\c1ccccn1
BDBM248144 CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
BDBM248145 CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
BDBM248146 Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1cccnc1
BDBM248147 Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1cccnc1
BDBM248149 CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
BDBM248150 CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
BDBM62319 [O-]B1OB2OB([O-])OB(O1)O2
BDBM248154 OCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
BDBM248153 CNCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
BDBM50209223 [F-].[Na+]
BDBM50209222 [Na+].[O-]S(=O)=O
BDBM36181 [O-]C(=O)c1ccccc1
BDBM50098543 [Na+].[Cl-]
BDBM50260103 OB1OCc2ccccc12
BDBM50279665 OB1OCc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc12
BDBM50279667 OB1OCc2ccc(NC(=O)NCc3ccccc3)cc12
BDBM50279668 OB1OCc2ccc(NC(=S)Nc3ccc(Cc4ccccc4)cc3)cc12
BDBM50279673 OB1OCc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc12
BDBM50279675 OB1OCc2ccc(NC(=S)NCc3ccco3)cc12
BDBM50279676 OB1OCc2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc12
BDBM50279677 Cc1cc(Cl)cc(CNC(=O)Nc2ccc3COB(O)c3c2)c1
BDBM50279653 OB1OCc2ccc(NC(=O)Nc3ccc(F)cc3)cc12
BDBM50279654 COc1cccc(C)c1NC(=O)Nc1ccc2COB(O)c2c1
BDBM50279657 OB1OCc2ccc(cc12)[N+]([O-])=O
BDBM50279658 COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
BDBM50279659 OB1OCc2ccc(NC(=S)NCCc3ccccc3)cc12
BDBM50279660 CC(=O)c1ccc(NC(=O)Nc2ccc3COB(O)c3c2)cc1
BDBM50279661 OB1OCc2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc12
BDBM50279662 OB1OCc2ccc(NC(=O)Nc3ccccc3)cc12
BDBM50279664 OB1OCc2ccc(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc12
BDBM50279663 Cc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
BDBM50279666 OB1OCc2ccc(NC(=S)Nc3ccc(F)cc3)cc12
BDBM50279669 Nc1ccc2COB(O)c2c1
BDBM50279670 OB1OCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12
BDBM50279671 OB1OCc2ccc(NC(=S)Nc3ccccc3)cc12
BDBM50279672 OB1OCc2ccc(NC(=O)NCc3ccco3)cc12
BDBM26988 [O-][N+]([O-])=O