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CC7.N67.C65=O.c15ccc8cc1.c18ccc(=O)n9n1.c19ccc4cc1.O4C | [
349.14264146799997,
0.15,
6,
1,
3,
6,
26,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccnn5c1=O.c15ccc(F)cc1 | [
337.12265497199996,
0.10526315789473684,
5,
1,
3,
6,
25,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccc(=O)n5n1.C59.c19ccccc1 | [
333.147726848,
0.15,
5,
1,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18cccn5c1=O.C59.c19ccncc1 | [
333.14772684800005,
0.15,
5,
1,
3,
5,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18cccn5c1=O.C59.c19ccccn1 | [
333.14772684800005,
0.15,
5,
1,
3,
5,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
c1ccc7cc1.C87.n18nnc2c6ncnc21.c16cccc2cn[nH]c12 | [
327.1232434160001,
0.05555555555555555,
7,
1,
5,
7,
25,
3,
0,
0,
0,
0,
2,
3,
5,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccc5cc1.C15CC(=O)NC(=O)C1 | [
336.14739249999997,
0.25,
5,
2,
3,
5,
25,
4,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] |
CC5.N45.C49=O.c19ccc7cc1.c17cccn2c%10c[nH+]c12.C6%10=O.O68.C8C | [
338.14991792008993,
0.21052631578947367,
6,
2,
3,
6,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC5.N65.C69=O.c19ccc8cc1.c18ccc7nc1.O47.C4C%10.[NH+]1%10CCCC1 | [
340.20195349209,
0.4,
5,
2,
3,
5,
25,
7,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CC4.N34.C39=O.c19ccc6cc1.c16ccc8cc17.O7C.C8C5=O.O5C | [
327.147058152,
0.2631578947368421,
5,
1,
2,
5,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18cccc5c1.C15CC(=O)NC(=O)C1 | [
336.14739249999997,
0.25,
5,
2,
3,
5,
25,
4,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccnn5c1=O.c15cccc(F)c1 | [
337.12265497199996,
0.10526315789473684,
5,
1,
3,
6,
25,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC5.N65.C6%10=O.c1%10ccc8cc1.c18cnc7nc1.O47.C49.c19ccccn1 | [
334.142975816,
0.15789473684210525,
6,
1,
3,
6,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC4.N64.C65=O.c15ccc8cc1.c18ccc9cc1.C9C7.[NH+]17CCOCC1 | [
339.20670452409,
0.38095238095238093,
4,
2,
3,
4,
25,
6,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] |
CC4.N64.C67=O.c17ccc8cc1.c18cnc(=O)n5c1.c15ccc(F)cc1 | [
337.12265497199996,
0.10526315789473684,
5,
1,
3,
6,
25,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccc(=O)n5n1.c15cccc(F)c1 | [
337.12265497199996,
0.10526315789473684,
5,
1,
3,
6,
25,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.N64.C67=O.c17ccc8cc1.c18cn5c(=O)cn1.c15ccc(F)cc1 | [
337.12265497199996,
0.10526315789473684,
5,
1,
3,
6,
25,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC7.N67.C65=O.c15ccc8cc1.c18cnn9c(=O)c1.c19cccc4c1.O4C | [
349.14264146799997,
0.15,
6,
1,
3,
6,
26,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC7.N67.C65=O.c15ccc8cc1.c18cnc(=O)n9c1.c19ccccc14.O4C | [
349.14264146799997,
0.15,
6,
1,
3,
6,
26,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC7.N87.C85=O.c15ccc6cc1.c16cccc2c1C1(CC[NH2+]CC1)C(=O)N2 | [
350.18630342809,
0.3333333333333333,
5,
4,
4,
5,
26,
3,
0,
0,
2,
2,
2,
0,
2,
0,
1,
1
] |
CC4.N64.C67=O.c17ccc8cc1.c18ccc(=O)n5c1.C59.c19cccnc1 | [
333.14772684800005,
0.15,
5,
1,
3,
5,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC7.N87.C85=O.c15ccc6cc1.c16cccc2c1NC(=O)C21CC[NH2+]CC1 | [
350.18630342809,
0.3333333333333333,
5,
4,
4,
5,
26,
3,
0,
0,
2,
2,
2,
0,
2,
0,
1,
1
] |
CC4.N54.C59=O.c19ccc6cc1.c16ccc7cc1.[C@H]%107C.N3%10.C3(=O)C8.O8C | [
340.1786926279999,
0.3,
5,
2,
2,
5,
25,
7,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC[C@H]4C.n14c(=O)[nH]c(C)c7c1=O.c17ccc6cc1.C56=O.N53.C3C | [
329.173941596,
0.3888888888888889,
6,
2,
2,
6,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC[C@@H]4C.n14c(=O)[nH]c(C)c7c1=O.c17ccc6cc1.C56=O.N53.C3C | [
329.173941596,
0.3888888888888889,
6,
2,
2,
6,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1ccc5cc16.c16cccc9n1.c19cnn8c1.C18C[NH2+]C1.C75=O.O7C | [
349.16590233208996,
0.25,
6,
2,
4,
6,
26,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC%10.N3%10.C39=O.c19ccc6cc1.c16cc7c4cc18.O8C.O4C.C57=O.O5C | [
343.141972772,
0.2631578947368421,
6,
1,
2,
6,
25,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC3.N53.C58=O.c18ccc7cc1.c17ccc(S4(=O)=O)cc1.N64.C6(C)C | [
346.135113564,
0.2777777777777778,
5,
2,
2,
6,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC%10.N3%10.C39=O.c19ccc6cc1.c16c7cc8cc14.O7C.C58=O.O5C.O4C | [
343.141972772,
0.2631578947368421,
6,
1,
2,
6,
25,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC5.N65.C63=O.c13ccc4cc1.c14ccc(S(=O)(=O)C(C)C)cn1 | [
332.11946349999994,
0.29411764705882354,
5,
1,
2,
6,
23,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC6.N36.C34=O.c14ccc7cc1.c17cc8ccn1.C8(C)(C)C5=O.O5C | [
326.1630425639999,
0.3157894736842105,
5,
1,
2,
5,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC5.O75.C78=O.c18coc%10n1.c1%10ccccc19.c19cnn6c1.C16C[NH2+]C1 | [
339.14516688809005,
0.2777777777777778,
7,
2,
4,
7,
25,
5,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1cc7c2[nH]ncc2c1.c17cc6ccn1.c16cc2c([nH]1)CCNC2=O | [
329.1276601,
0.10526315789473684,
6,
3,
5,
6,
25,
2,
0,
0,
1,
1,
1,
3,
4,
0,
0,
0
] |
C[NH+]1CCN7CC1.c17nc2ccccc2nc16.c16cccc2cn[nH]c12 | [
345.18222109209006,
0.25,
6,
2,
5,
6,
26,
2,
0,
0,
1,
1,
2,
2,
4,
0,
1,
1
] |
CC5.O75.C78=O.c18coc%10n1.c1%10cccc9c1.c19cnn6c1.C16C[NH2+]C1 | [
339.14516688809005,
0.2777777777777778,
7,
2,
4,
7,
25,
5,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC5.O75.C78=O.c18cc2cc9ccc2nc1C.c19cnn6c1.C16C[NH2+]C1 | [
337.16590233209,
0.3157894736842105,
6,
2,
4,
6,
25,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC6.[C@@H]16C(=O)Nc2cnc5nc2N17.C7(C)C.c15cccc2cn[nH]c12 | [
336.16985926000007,
0.3333333333333333,
7,
2,
4,
7,
25,
3,
0,
0,
1,
1,
1,
2,
3,
0,
0,
0
] |
c1ccc7cc1.n17c(O)cc2ccc6cc21.c16cnn8c1.C18C[NH2+]C1 | [
331.15533764809004,
0.15,
5,
3,
5,
5,
25,
3,
0,
0,
1,
1,
2,
2,
4,
0,
1,
1
] |
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