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Cc1[nH]nc2cc8ccc12.c18ncccc15.C65=O.N64.C4CC7.[NH+]7(C)C | [
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CC4.O45.c15nnc8cc19.c18ccc2c(C)[nH]nc2c1.C69=O.O67.C7C | [
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Cc1[nH]nc2cc5ccc12.c15ccc6cn1.C76.N17C(=O)NC(C)(C)C1=O | [
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Cc1[nH]nc2cc6ccc12.c16ccc2c(c1)N1C(=[NH+]NC(=O)[C@@H]1C)CO2 | [
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Cc1[nH]nc2cc5ccc12.c15ccc(S7(=O)=O)cc1.N76.C16CC1 | [
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Cc1[nH]nc2cc5ccc12.c15cc4ccc16.O6C.C4[C@H]([NH3+])C7=O.O7C | [
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CC7.O87.C85=O.[C@@H]15CCc2nnc6cc2C1.c16ccc2c(C)[nH]nc2c1 | [
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Cc1[nH]nc2cc8ccc12.c18cc5c7nc14.O4C.O7C.C65=O.O6C | [
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Cc1[nH]nc2cc8ccc12.c18cc7nc5c1.C67=O.O6C.C45=O.O4C | [
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Cc1[nH]nc2cc8ccc12.c18cnc7c5c1.C67=O.O6C.C45=O.O4C | [
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Cc1[nH]nc2cc5ccc12.c15ccccc16.C76=O.N17CC[NH+](C)CC1 | [
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CC6.O67.c17cc2c8ncnc2cc15.O45.C4C.c18cnc(N)nc1C | [
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CC6.O76.C74=O.c14sc2ncnc5c2c1C.c15cnc(N)nc1C | [
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CC4.O64.C67=O.c17cnc5nc18.c18cnc(N)nc1C.c15cccs1 | [
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2,
3,
8,
24,
4,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc18.c18ncccc15.C65=O.N67.c17ccc4cc1.O4C | [
335.138224784,
0.1111111111111111,
7,
3,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1[nH]nc2cc6ccc12.c16ccc7nc1.O87.C8C5.[NH+]15CCOCC1 | [
339.18155239608996,
0.3684210526315789,
6,
2,
4,
6,
25,
5,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
Cc1nc(N)ncc13.c13ccc([Si](C)(C)C)c4n1.O4C(F)(F)F | [
342.11237235400006,
0.35714285714285715,
5,
2,
2,
9,
23,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc15.c15cc6nc4n1.c14cccnc1.C6(F)(F)F | [
332.099729012,
0.13333333333333333,
6,
2,
3,
9,
24,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc18.c18ncc5c2nc[nH]c12.N45.C64=O.O67.C7(C)(C)C | [
341.1600228480001,
0.3125,
9,
4,
3,
9,
25,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
CC4.O64.C67=O.c17cnc5nc18.c18cnc(N)nc1C.c15ccccc1 | [
335.13822478400004,
0.16666666666666666,
7,
2,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC3.O53.C56=O.c16ccc4c7n1.c17cnc(N)nc1C.C4(F)(F)F | [
326.099060316,
0.2857142857142857,
6,
2,
2,
9,
23,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc15.c15nccc2c1CC[NH+]7C2.C76.c16ccccc1 | [
332.18697212409,
0.25,
5,
3,
4,
5,
25,
3,
0,
0,
1,
1,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc15.c15cc6nc4n1.c14ccncc1.C6(F)(F)F | [
332.099729012,
0.13333333333333333,
6,
2,
3,
9,
24,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
CC6.O76.C74=O.c14sc2nc(C)nc5c2c1C.c15cnc(N)nc1C | [
343.1102957840001,
0.3125,
7,
2,
3,
8,
24,
3,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc14.c14ccc2cc5ccc2c1.N65.S6(C)(=O)=O | [
328.09939675199996,
0.125,
6,
3,
3,
7,
23,
3,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1nc(N)ncc13.c13nc4ccc1[Si](C)(C)C.C4(F)(F)F | [
326.117457734,
0.35714285714285715,
4,
2,
2,
8,
22,
2,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1c(C)sc2nc5nc4c12.C65.[NH+]6(C)C.c14cnc(N)nc1C | [
329.15429209209003,
0.375,
6,
3,
3,
7,
23,
3,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc14.c14cc5ccc13.N63.C6(C)=O.O5C(F)(F)F | [
326.099060316,
0.21428571428571427,
6,
3,
2,
9,
23,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1nc(N)ncc14.c14cc6nc5n1.c15ccccn1.C6(F)(F)F | [
332.099729012,
0.13333333333333333,
6,
2,
3,
9,
24,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ncc(F)c7n1.O76.c16ccc4cc1.O4C | [
327.11315290799996,
0.125,
7,
2,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ncc(F)c7n1.O76.c16cccc4c1.O4C | [
327.11315290799996,
0.125,
7,
2,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ccc2c7c6c4cc2n1.O7C.O6C.O4C | [
326.13789043599996,
0.23529411764705882,
7,
2,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ccc6cn1.C76=O.N17CCc2ccccc21 | [
331.143310164,
0.15789473684210525,
6,
2,
4,
6,
25,
2,
0,
0,
1,
1,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc17.c17ccc4cn1.N34.C53=O.O56.C6C(F)(F)F | [
327.094309284,
0.23076923076923078,
7,
3,
2,
10,
23,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc14.c14ncc5cc1C1=CC[NH2+]CC1.C5(F)(F)F | [
336.14305662409004,
0.3125,
5,
4,
3,
8,
24,
2,
0,
0,
1,
1,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc14.c14ncnc2sc5nc12.C5C(F)(F)F | [
326.056149948,
0.25,
6,
2,
3,
10,
22,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1nc(N)ncc17.c17ncccc14.N34.C53=O.O56.C6C(F)(F)F | [
327.094309284,
0.23076923076923078,
7,
3,
2,
10,
23,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc15.c15cc4ccc16.N16CCCCC1.C74=O.O7C | [
326.17427594399993,
0.3888888888888889,
6,
2,
3,
6,
24,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
Cc1nc(N)ncc15.c15ncc(F)c7n1.O76.c16ccccc14.O4C | [
327.11315290799996,
0.125,
7,
2,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc18.c18ccc7cn1.C67=O.O64.C45.c15ccccc1F | [
338.11790394,
0.1111111111111111,
6,
2,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc(N)ncc16.c16ccc5nn1.c15ccc7cc1.n17ccnc1 | [
329.13889348000004,
0.05555555555555555,
7,
2,
4,
7,
25,
3,
0,
0,
0,
0,
1,
3,
4,
0,
0,
0
] |
Cc1nc(N)ncc16.c16ccc5nn1.c15ccc2c(c1)OCCCO2 | [
335.138224784,
0.2222222222222222,
7,
2,
4,
7,
25,
2,
0,
0,
1,
1,
1,
2,
3,
0,
0,
0
] |
CC5.n15c([O-])c2cccc3c(=c4cnc(N)nc4=C)ccc(c1=O)c23 | [
331.12004929991,
0.10526315789473684,
6,
2,
4,
6,
25,
1,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
Cc1nc(N)ncc14.c14ccc3c5c1.O5C(F)(F)F.C63=O.O6C | [
327.08307590399994,
0.21428571428571427,
6,
2,
2,
9,
23,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ccc4c(F)c1.C74.O76.[C@H]16CCCC[C@@H]1[NH3+] | [
331.19286602809,
0.4444444444444444,
5,
5,
3,
6,
24,
4,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CC3.O53.C56=O.c16cc7cnc14.C4(F)(F)F.c17cnc(N)nc1C | [
326.0990603160001,
0.2857142857142857,
6,
2,
2,
9,
23,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1nc(N)ncc17.c17cc6c3cc14.C4(F)(F)F.O3C.C56=O.O5C | [
341.09872596799994,
0.26666666666666666,
6,
2,
2,
9,
24,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1nc(N)ncc15.c15ccc2c(c1)C(c1ccccc1)=NCC(=O)N2 | [
343.143310164,
0.1,
6,
3,
4,
6,
26,
2,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
Cc1nc(N)ncc14.c14cc5cc3c1.O5C(F)(F)F.C63=O.O6C | [
327.08307590399994,
0.21428571428571427,
6,
2,
2,
9,
23,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC5.O65.C6(=O)C[C@@H]1OCCc2cc4ccc21.c14cnc(N)nc1C | [
327.1582915320001,
0.3888888888888889,
6,
2,
3,
6,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
CC5.O65.C6(=O)C[C@H]1OCCc2cc4ccc21.c14cnc(N)nc1C | [
327.1582915320001,
0.3888888888888889,
6,
2,
3,
6,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
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