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CC6.n16ncc8cc1=O.c18ccc4cc1.O74.C7C5.[NH+]15CCCCC1 | [
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CCC6.n16nc(C)cc18.c18nc5nc2ccn(C)c12.C75=O.O74.C4C | [
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CCC5.n15nc(C)cc17.c17ccc(S4(=O)=O)cn1.N634.C6C.C3C | [
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CCC6.n16nc(C)cc15.c15ccc(S7(=O)=O)cn1.N74.C14CCCC1 | [
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CCC4.n14nc(C)cc15.c15ccc(S6(=O)=O)cn1.N16CCCCC1 | [
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CCC5.n15nc(C)cc14.c14ccc(S3(=O)=O)cn1.N63.C6(C)(C)C | [
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CCC5.n15nc(C)cc14.c14ccc(S(N)(=O)=O)c3c1.C3(F)(F)F | [
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CCC6.n16nc(C)cc18.c18ccc4cc1.O74.C7C5.[NH+]15CCOCC1 | [
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CCC4.n14nc(C)cc16.c16cccc5c1.C175CCOCC1.C7(N)=O | [
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CCC5.n15nc(C)cc14.c14ccc(S(N)(=O)=O)cc13.C3(F)(F)F | [
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CCC6.n16nc(C)cc15.c15ccc4cc1.C74=O.N17CC[NH+](C)CC1 | [
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CCC5.n15nc(C)cc14.c14cc3ccc1S(N)(=O)=O.C3(F)(F)F | [
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CCC6.n16nc(C)cc18.c18cc2c(nn1)CC[C@@H]5C2.C75=O.O74.C4C | [
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CCC6.n16nc(C)cc18.c18cc2c(nn1)CC[C@H]5C2.C75=O.O74.C4C | [
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CCC4.n14nc(C)cc16.c16cc5nc8n1.c18ccnc(C)n1.C75.O7C | [
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CCC5.n15nc(C)cc14.c14ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 | [
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CCC4.n14nc(C)cc15.c15ncccc1S6(=O)=O.N16CCCCC1 | [
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CCC5.n15nc(C)cc16.c16ccc2nc7sc2n1.N17CC[NH2+]CC1 | [
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CCC5.n15nc(C)cc14.c14ccc(S(=O)(=O)c2ccccc2)nn1 | [
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CCC6.n16nc(C)cc18.c18c5cc4c2c1OCO2.O4C.C75=O.O7C | [
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CCC5.n15nc(C)cc18.c18ccc6cn1.C76.N17CC[NH+]4CC1.C4C | [
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CCC6.n16nc(C)cc18.c18cnc2[nH]c(C)c5c2n1.C75=O.O74.C4C | [
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CCC4.n14nc(C)cc17.c17ccc5cc1.C5(C6=O)C3=O.O6C.O3C | [
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CCC6.n16nc(C)cc18.c18cccc5c1.C75=O.N74.C14CC[NH2+]CC1 | [
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CCC6.n16nc(C)cc15.c15ccccc14.C74=O.N17CC[NH+](C)CC1 | [
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CCC4.n14nc(C)cc17.c17cc5ccc13.O3COC.C5C6=O.O6C | [
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CCC6.n16nc(C)cc18.c18ccccc15.C75=O.N74.C14CC[NH2+]CC1 | [
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CCC6.n16nc(C)cc15.c15cccc4c1.C74=O.N17CC[NH+](C)CC1 | [
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CCC7.n17nc(C)cc16.c16cccc2[nH+]c5cn12.[C@@H]15C[NH2+]CCO1 | [
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CCC6.n16nc(C)cc15.c15cccc4c1.C74=O.N17CCC([NH3+])CC1 | [
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CCC6.n16nc(C)cc15.c15ccc4cc1.C74=O.N17CCC([NH3+])CC1 | [
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CCC5.n15nc(C)cc14.c14ccc3cc1S(N)(=O)=O.C3(F)(F)F | [
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CCC4.n14nc(C)cc15.c15ccc6cc1.N16CCS(=O)(=O)CC1 | [
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CCC6.n16nc(C)cc15.c15ccccc14.C74=O.N17CCC([NH3+])CC1 | [
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CCC6.n16nc(C)cc18.c18ccc5cc1.C75=O.N74.C14CC[NH2+]CC1 | [
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CC4.O74.C76=O.c16c(C)[nH]c2ncc8nc12.c18cnc5cc1C.O5C | [
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Cc1nc8c2sccc2n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
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C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2ccc(F)cc2n1 | [
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CCC3.n13nc(C)cc14.c14ccc(F)c(S5(=O)=O)c1.N5(C)C | [
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C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2sccc2n1 | [
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Cc1cc2c8ncnc2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
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Cc1csc2ncnc8c12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
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CCC4.n14nc(C)cc18.c18cc9c6nc15.O5C.O6C.C79=O.O73.C3C | [
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Cc1nc8cc4n1.C8(C)C.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C | [
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CCC4.n14nc(C)cc15.c15ccc2c(c1)CC[C@H]6O2.C6(=O)N(C)OC | [
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CCC4.n14nc(C)cc15.c15ccc2c(c1)CC[C@@H]6O2.C6(=O)N(C)OC | [
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C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2ccc(F)cc12 | [
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C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc3ccn1.O3C(F)F | [
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C[NH+]3C.C3C5.N75.C76=O.c16ccc4cc1.c14cc8c(F)cn1.S8C | [
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CC3(C)C.O35.c15ccnc8n1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C | [
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C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nncc2cc(F)ccc12 | [
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0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2cc(F)ccc12 | [
339.16156590009007,
0.21052631578947367,
5,
2,
3,
6,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1csc2nc8ncc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
341.14305871209007,
0.2777777777777778,
5,
2,
3,
6,
24,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2ccc(F)cc2n1 | [
339.16156590009,
0.21052631578947367,
5,
2,
3,
6,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2ccsc12 | [
327.12740864809007,
0.23529411764705882,
5,
2,
3,
6,
23,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC3(C)C.O35.c15ccc8nn1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C | [
343.21285252409,
0.42105263157894735,
6,
2,
2,
6,
25,
6,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2sccc12 | [
327.12740864809007,
0.23529411764705882,
5,
2,
3,
6,
23,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc2ccccc2nc18.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1ccc2ncnc8c2c1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC8(C)C.c18nccc4n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C | [
327.21793790409004,
0.42105263157894735,
5,
2,
2,
5,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15nccc9n1.c19ccco1 | [
337.16590233208996,
0.21052631578947367,
6,
2,
3,
6,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14ncccc13.O3C(F)F | [
336.15180974008996,
0.29411764705882354,
5,
2,
2,
7,
24,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1csc2c8ncnc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
341.14305871209007,
0.2777777777777778,
5,
2,
3,
6,
24,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cccc3n1.O3C(F)F | [
336.15180974008996,
0.29411764705882354,
5,
2,
2,
7,
24,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15cnc9cn1.c19ccco1 | [
337.16590233208996,
0.21052631578947367,
6,
2,
3,
6,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC8(C)C.c18ccnc4n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C | [
327.21793790409004,
0.42105263157894735,
5,
2,
2,
5,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1ccc2ncc8nc2c1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14ccc3cn1.O3C(F)F | [
336.15180974008996,
0.29411764705882354,
5,
2,
2,
7,
24,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc(F)c2cc[nH]c12 | [
327.16156590009,
0.2222222222222222,
5,
3,
3,
6,
24,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC3C.O35.c15ccnc8c1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C | [
328.20195349209,
0.3684210526315789,
5,
2,
2,
5,
24,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1csc2cnc8nc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
341.14305871209007,
0.2777777777777778,
5,
2,
3,
6,
24,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1cccc2ncnc8c12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nccc2scnc12 | [
327.12740864809007,
0.23529411764705882,
5,
2,
3,
6,
23,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1c(C)[nH]c2c8ncnc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
338.19753680809004,
0.3157894736842105,
6,
3,
3,
6,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2ncc(F)cc2n1 | [
339.16156590009,
0.21052631578947367,
5,
2,
3,
6,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1cc2nc(C)nc8c2[nH]1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
338.19753680809004,
0.3157894736842105,
6,
3,
3,
6,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2cc(F)ccc2n1 | [
339.16156590009,
0.21052631578947367,
5,
2,
3,
6,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1cccc2ncc8nc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CCC6.S64.c14cncc8n1.c18ccc9cc1.C79=O.N73.C3C5.[NH+]5(C)C | [
345.17435884009006,
0.3888888888888889,
5,
2,
2,
6,
24,
8,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
Cc1cccc2c8ncnc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15cc9ncn1.c19ccco1 | [
337.16590233208996,
0.21052631578947367,
6,
2,
3,
6,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc8nc2ccccc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1ccc2nc8ncc2c1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
335.18663777609004,
0.25,
5,
2,
3,
5,
25,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
C[NH+]3C.C3C5.N75.C76=O.c16ccc4cc1.c14nccc8c1F.S8C | [
334.13838793209004,
0.29411764705882354,
4,
2,
2,
6,
23,
6,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C[NH+]4C.C4C6.N86.C89=O.c19ccc5cc1.c15cc7cc[nH+]1.N17CCCC1 | [
340.22521435618,
0.4,
5,
3,
3,
5,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ncccc19.n19cccc1 | [
335.18663777609004,
0.2,
5,
2,
3,
5,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1nc8c2c(n1)CCCC2.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C | [
339.21793790409,
0.45,
5,
2,
3,
5,
25,
5,
0,
1,
0,
1,
1,
1,
2,
0,
0,
0
] |
CC6.S64.c14cncc8n1.c18ccc9cc1.C79=O.N73.C3C5.[NH+]5(C)C | [
331.15870877609,
0.35294117647058826,
5,
2,
2,
6,
23,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
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