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c1cc8ncc16.c16cncc7n1.N17CCCC1.O85.C15CCOCC1 | [
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CO7.c17cc8nc6n1.S6C.c18ccc4nc1.O45.C15CCOCC1 | [
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CO8.C87.c17cc5nc9n1.S9C.c15ccc4nc1.O46.C16CCOCC1 | [
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Cc1cc6nc8c1.C76=O.O7C.c18ccc4nc1.O45.C15CCOCC1 | [
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CC4.O84.C89=O.c19cc5nc(C)n1.c15ccc6nc1.O67.C17CCOCC1 | [
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CC4.O84.C89=O.c19cnc(C)nc15.c15ccc6nc1.O67.C17CCOCC1 | [
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CC6.N679.C7C.c19cc5ncn1.c15ccc8nc1.O84.C14CCOCC1 | [
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c1cc5ncc16.c16ncc8cn1.O98.C9%10.C1%10CC1.O57.C17CCOCC1 | [
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c1cc8ncc16.c16ccc7cn1.N17CCOCC1.O85.C15CCOCC1 | [
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] |
Cn1c(=O)ccc2ccc6nc21.c16ccc7nc1.O75.C15CCOCC1 | [
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Cc1cnc8cc16.C76=O.O7C.c18ccc4nc1.O45.C15CCOCC1 | [
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] |
CC4.O84.C89=O.c19cc(C)nc5n1.c15ccc6nc1.O67.C17CCOCC1 | [
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] |
c1cc(S(=O)(=O)C2CC[NH2+]CC2)ccc15.c15ccc2nc[nH]c2c1 | [
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] |
Cc1nc8ccc16.c18ccc4nc1.O45.C15CCOCC1.C76=O.O7C | [
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CC8.O84.c14nc5ncc19.c15ccc6nc1.O67.C17CCOCC1.O9C | [
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] |
CO7.C76=O.c16ccc(F)c8n1.c18ccc4nc1.O45.C15CCOCC1 | [
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Cc1ccnc8c16.N76.C7(C)=O.c18ccc4nc1.O45.C15CCOCC1 | [
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] |
c1cc7nc6c1.N17CCOCC1.c16ccc8nc1.O85.C15CCOCC1 | [
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] |
CC6C.c16nc5nc8n1.N5(C)C.c18ccc7nc1.O74.C14CCOCC1 | [
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] |
c1cc7ncc16.c16ncnc2[nH]c(=S)sc12.O75.C15CCOCC1 | [
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] |
c1cc2nc[nH]c2cc16.c16ccc2nc7sc2n1.N17CC[NH2+]CC1 | [
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] |
c1cc8ncc16.c16cc7cc[nH+]1.N17CCOCC1.O85.C15CCOCC1 | [
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] |
Cc1cn7cn1.c17ccc6nn1.c16ccc8nc1.O85.C15CCOCC1 | [
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] |
Cc1cn7cn1.c17cc6ncn1.c16ccc8nc1.O85.C15CCOCC1 | [
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3,
0,
1,
1
] |
c1cc8ncc16.c16nccc7n1.C17CC[NH2+]CC1.O85.C15CCOCC1 | [
341.19720246008995,
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0,
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2
] |
Cc1c6ccnc18.c18ccc4nc1.O45.C15CCOCC1.C76=O.O7C | [
328.14230711999994,
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0,
1,
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] |
c1cc2nc[nH]c2cc14.c14ccc(S(N)(=O)=O)cc15.C5(F)(F)F | [
341.04458222000005,
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0,
0,
0,
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3,
0,
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0
] |
CC4.O84.C89=O.c19cccc5n1.c15ccc6nc1.O67.C17CCOCC1 | [
328.14230712,
0.3888888888888889,
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0,
1,
1,
0,
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2,
0,
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1
] |
CO7.C76=O.c16cnc8c(F)c1.c18ccc4nc1.O45.C15CCOCC1 | [
332.117235244,
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1
] |
CO7.C76=O.c16ccc8nc1F.c18ccc4nc1.O45.C15CCOCC1 | [
332.117235244,
0.35294117647058826,
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0,
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1,
0,
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2,
0,
1,
1
] |
CC4.O84.C8(=O)C9.c19ccc5nc1.c15ccc6nc1.O67.C17CCOCC1 | [
342.157957184,
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25,
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1
] |
C[C@@H]1CC(=O)Nc2ncnc6c21.c16ccc7nc1.O75.C15CCOCC1 | [
340.15354049999996,
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2,
0,
2,
2,
0,
1,
1
] |
C[C@H]1CC(=O)Nc2ncnc6c21.c16ccc7nc1.O75.C15CCOCC1 | [
340.15354049999996,
0.4444444444444444,
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25,
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0,
2,
2,
0,
2,
2,
0,
1,
1
] |
c1cc2nc[nH]c2cc16.c16cnc2[nH+]c5cn2c1.N75.C7(=O)C(F)(F)F | [
347.08627002009,
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25,
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0,
0,
0,
1,
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4,
0,
0,
0
] |
COCO6.c16cnc(F)cc15.c15ccc7nc1.O74.C14CCOCC1 | [
334.132885308,
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