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Cc1nc4n5n1.c14ccc6nc1.c16cccc(F)c1.[C@H]15CCS(=O)(=O)C1 | [
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CO%10.c1%10ccc2cc6ccc2n1.N76.C79=O.N95.c15ccc8cc1.n18ncn(C)c1=O | [
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C=CC4.[C@@]14(N)C(O)=Nc2cc3ccc21.C3 | [
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CO4.C43.c13cccn1C(=O)C1=C(C)N=C2C=C(C(F)(F)F)NN2C15.c15ccc(Cl)c(Cl)c1 | [
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CN=C(O)N4.[C@H]14[C@H]2OC(C)(C)O[C@H]2O[C@H]13.C3O | [
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CO5.C5(=O)C4.N436.C3C#N.C6C(O)C7.O78.c18ccc2ccccc2c1 | [
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CO5.C58=O.c18cn3cc4c1=O.C36.c16ccc(F)cc1.C74=O.N7(C)C | [
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CCCCC=3.C=3C=2.C=2(CCCCC)[Te]c1ccccc1 | [
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Cc1cc8ncc1%10.O68.C65.C195CCC1.C9(=O)O.c1%10cnc4nc1.c14nc7c[nH]1.c17ccccc1C | [
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CC(C)[C@H](C)[NH+]=C(O)C2.N12CCCCC1 | [
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O=C67.c17ccco1.N16CCN4CC1.[C@H]45C(O)=N[C@@H]1CCCc2ccccc21.C15CCCC1 | [
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Cc1nc8cs1.C58.N15C(=O)c2cccn2[C@@H]2CN7C[C@H]21.C76.c16cccnc1 | [
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CCCCCCCC(C3CC2C(O)=Nc1ccccc1.c13ccccc1.c12ccccc1 | [
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Cc1ccc5cc1.n15ccc2c(c1=O)CC4O2.c14ccccc1 | [
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Cc1ccc3cc1.C43(CCC6CC(=O)O.N56.C57=O.c17ccc(C(=N)N)cc1.N14CCNC(=O)C1=O | [
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CO7.c17cc8cn2ccnc12.c18[nH]nc6c1%10.c16ncc5s1.C15CCN9CC1.C9CC(F)(F)F.C%10(C)C | [
518.2075652080001,
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CC(C4N=C(O)N3.c14ccco1.c13cnn2c1.C2C(=N)O | [
291.133139404,
0.3076923076923077,
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0
] |
O=C32.c12ccc(F)cc1Cl.N13CCCCC[C@@H]14.c14ccncc1 | [
332.109169096,
0.3333333333333333,
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CO3.C3(=O)CC[C@H](N)C(O)=N[C@@H](C2C(=O)O.c12ccc(O)c5c1.C45=O.O4C | [
382.1376156639999,
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CO4.c14ccc2[nH]cc6c2c1.C6CN=C(O)C1CCCN5C1.C5(C)=O | [
343.18959165999996,
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25,
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1,
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1
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O=C(O)C=3.C=3C(O)=Nc1cccc2c1C(=O)c1ccccc1C2=O | [
321.063722452,
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2,
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BrC1CNNC14.c14ccc3cc1.c13ccccc1 | [
302.04186058,
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C=CC2.[C@@]12(C)CCC(=O)CC1=O | [
166.099379688,
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O=C4C6.S63.C3C(O)=Nc1ccccc12.C52=O.N15CCCCC1.N14CCOCC1 | [
405.172227344,
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3,
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28,
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O=S1(=O)C[C@H](S4(=O)=O)c2ccccc21.N54.C156CC1.c16ccc(Cl)cc1 | [
397.02092767199997,
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CC7.O75.c15cc(C(O)=N/N=C\c2cc8c4c(Cl)c2)ccc1%11.O94.C96.c16ccc(Br)cc1.O%108.C%10C.O%11C | [
560.071361712,
0.23076923076923078,
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35,
11,
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0
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C/C(=N\N=C(O)[C@H]1CC(=O)N4C1)c1cccs1.C43.c13ccccc1 | [
341.119797848,
0.2777777777777778,
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24,
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0,
1,
1
] |
CO4.c14ccc5cc13.N5/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1.O3C | [
378.04410564,
0.11764705882352941,
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1,
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25,
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2,
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2,
0,
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CC7C.N74.C4C(O)C5.O56.c16cccc2c3noc12.C3(C)C | [
292.178692628,
0.5625,
5,
2,
2,
5,
21,
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0,
0,
0,
0,
1,
1,
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0,
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0
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CC4=O.c14c[nH]c5c1.C65=O.O69.[C@@H]9(C)C8=O.N18CC(O)=Nc2cc7ccc21.C7(F)(F)F | [
423.104205272,
0.2631578947368421,
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2,
3,
11,
30,
4,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
CN3.C32.C12CCOC14.c14cc(Cl)ccc1Cl | [
259.05306946,
0.5,
2,
1,
2,
4,
16,
3,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] |
CN1C2CCC1CC5C2.C45.N43.c13ccc(Cl)cc1[N+](=O)[O-] | [
309.12440455999996,
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3,
6,
21,
4,
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0,
2,
2,
1,
0,
1,
0,
2,
2
] |
CO5.c15ccc6cc1Br.C6(=O)C3.S34.c14nnc(C)n1C | [
354.999009788,
0.3076923076923077,
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0,
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20,
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0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CN2.C253.c15ccsc1.c13ccc4c(F)c1.O4C | [
251.078013288,
0.23076923076923078,
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17,
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0,
0,
0,
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0
] |
Cc1nc6no1.c16ccc7[nH+]c1.N17CCN8CC1.C8(=O)C9.O9%10.c1%10ccc2ccccc2c1 | [
430.18736604809,
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1,
5,
8,
32,
5,
0,
0,
1,
1,
2,
2,
4,
0,
1,
1
] |
CO5.c15ccc4cc1.[C@@H]74C(O)=NC3.c13ccccc16.O6C.c17ccccn1 | [
362.163042564,
0.18181818181818182,
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3,
5,
27,
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0,
0,
0,
2,
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3,
0,
0,
0
] |
C#CC5.N578.C7C=C.C86.c16cnc(S(=O)(=O)C3n14.[C@@H]13CCCO1.C4C(C)C | [
379.19296278800005,
0.631578947368421,
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26,
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