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CO3.c13cc8ccc16.c16ncnc7c14.C57=O.O5C.O4C.C8(F)(F)F | [
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CO6.c16cc5ccc18.c18ncnc7c14.C17C[NH2+]C1.O4C.C5(F)(F)F | [
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CO5.c15cc4ccc16.c16ncc2c(n1)NC(=O)CO2.C4(F)(F)F | [
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CO5.c15cc7ccc18.c18cnc6nc1.O64.[C@@H]14CC[NH2+]C1.C7(F)(F)F | [
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CO5.c15cc7ccc18.c18cnc6nc1.O64.[C@H]14CC[NH2+]C1.C7(F)(F)F | [
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CO5.c15cc7ccc14.c14ncnc2[nH]cc6c12.C6(N)=O.C7(F)(F)F | [
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CO3.c13cc6ccc17.c17cnc4nc1.C4C5=O.O5C.C6(F)(F)F | [
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CO5.c15cc4ccc16.c16ncc2c(n1)OCC(=O)N2.C4(F)(F)F | [
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Cn1nnc7n1.c17ccc4cn1.c14ccc6cc15.O5C.C6(F)(F)F | [
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CC4.[C@@H]14C(=O)N(C)c2cnc6nc2N15.C5(C)C.c16ccc(F)cn1 | [
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CC4.O64.C6(=O)C7.C17CCN5CC1.c15ccc8nn1.c18ccc(F)cn1 | [
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CS(=O)(=O)c1ccc4cc1.O54.c15cncc6n1.c16ccc(F)cn1 | [
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CC6=O.O65.c15cc2c8ncnc2cc17.O47.C4(C)=O.c18ccc(F)cn1 | [
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CO3.C348.c18c(C=7ccnc16.c16ccc(F)cn1.C=7C5=O.O5C.O4C | [
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CC4.O64.C67=O.c17cnc5nc18.c18ccc(F)cn1.N15CCCCC1 | [
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CS(=O)(=O)c1ccc4cc1.O54.c15ccnc6n1.c16ccc(F)cn1 | [
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c1ccc2nc7cc5c2c1.c17ccc(F)cn1.C65=O.N16CCOCC1 | [
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c1cc6ncc1F.c16ccc(S5(=O)=O)cn1.N54.c14nccs1 | [
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c1cc7ncc15.C65.N16C(=O)NC2(CCCC2)C1=O.c17ccc(F)cn1 | [
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1,
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2
] |
CC6=O.N16CCC2(CC1)C(=O)Nc1cc5ccc12.c15ccc(F)cn1 | [
339.138305036,
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0,
1,
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] |
CC7.O75.c15ccc8cc1.n18nnc2cnc6nc21.c16ccc(F)cn1 | [
336.1134872560001,
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0,
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] |
CO5.C5C4.n14ncc7cc1=O.c17ccc6cc13.O3C.C6(F)(F)F | [
328.10347700000005,
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0,
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] |
Cc1nc(S(C)(=O)=O)ncc15.c15ccc3cc14.O4C.C3(F)(F)F | [
346.059897936,
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0,
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] |
CO4.c14cc8ccc16.c16cnc3c7n1.C57=O.O5C.O3C.C8(F)(F)F | [
342.08274155600003,
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] |
CN5C.C54=O.c14ncc7cn1.c17ccc6cc13.O3C.C6(F)(F)F | [
325.10381134799997,
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] |
CO5.C5C4.n14cc7ncc1=O.c17ccc6cc13.O3C.C6(F)(F)F | [
328.10347700000005,
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] |
CO5.C5C4.n14nc7ccc1=O.c17ccc6cc13.O3C.C6(F)(F)F | [
328.10347700000005,
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] |
CO6.C64=O.c14cccc2nc5ncc12.c15cc7cc(F)c1.C7(=O)[O-] | [
325.06300859990995,
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3,
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0
] |
CO6.C64=O.c14ccc2c5ncnc2c1.c15cc7cc(F)c1.C7(=O)[O-] | [
325.06300859990995,
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0,
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] |
Cn1cc4cc7c1=O.c17ccc6cc13.O3C.C6(F)(F)F.C54=O.O5C | [
341.087492588,
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CO5.C5C4.n14nccc7c1=O.c17ccc6cc13.O3C.C6(F)(F)F | [
328.10347700000005,
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] |
c1cc6nc3c14.C4(N)=O.c13cc5cc(F)c1.C5(=O)[O-].C6(F)(F)F | [
327.03982854391,
0.07142857142857142,
5,
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23,
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0,
0,
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] |
c1ccc2[nH]c3ccc7cc3c2c1.c17cc6nc5c1.C6(N)=O.C5(N)=O | [
330.111675688,
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0,
0,
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2,
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0,
0,
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] |
CO6.C64=O.c14ccc2ncnc5c2c1.c15cc7cc(F)c1.C7(=O)[O-] | [
325.06300859990995,
0.058823529411764705,
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] |
CC3.O53.C54=O.c14cnc8nc16.c16cc7cc(F)c1.C7(=O)[O-].S8C | [
335.0507296639099,
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] |
CC4.O64.C65=O.c15cn(C)c2c8ncnc12.c18cc7cc(F)c1.C7(=O)[O-] | [
342.08955769590995,
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0,
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] |
c1c6cc(F)cc17.C6(=O)[O-].c17nc5cc2[nH]cnc12.C15CC[NH2+]CC1 | [
340.1335540040001,
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0,
1,
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1,
2,
3,
0,
1,
1
] |
CO6.C64=O.c14ccc2cnc5nc2c1.c15cc7cc(F)c1.C7(=O)[O-] | [
325.06300859990995,
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0,
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] |
Subsets and Splits