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3.57k
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sequence |
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Cc1cc(C(O)=NN=C(O)C3c(C)n15.N63C.C64=O.c14ccco1.c15ccccc1 | [
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Cc1cccc6c1C.O36.C3C7=O.O74.C4C8=O.N85.c15ccc9cc1.O9C(F)(F)F | [
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CC2.O62.C65=O.[C@@H]15C(=O)C[C@](C)(O)[C@H]8[C@H]14.C78=O.O73.C3C.c14ccc(Br)o1 | [
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CCC5.C135CCCN1.C63=O.N67.c17ccc4cc1.C4(C)=O | [
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N=C(O)C1CCC(N=C(O)C4CC1.O43.c13ccc(N)cc1 | [
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CO7.c17ccc9cc1.C19C=4C(=O)C(=O)N16.C=4(O)c1ccc8cc1C.O8C.c16ccc5cc1.C5C(=O)O | [
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O=C5O.c15cc(S6(=O)=O)ccc1Cl.N63.c13ccc4nc1.C4(F)(F)F | [
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CO4.C4CC2C.O23.c13ccc(C#N)cc1[N+](=O)[O-] | [
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CC8.n18c2ccccc2c2nnc7nc21.n17nc(C)c9c1C.C95.c15ccccc16.C6(F)(F)F | [
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O=C35.c13ccc(Cl)s1.C15CCN6C1.C64.c14ccccc1 | [
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C[C@@H]1[C@@H]4CCN15.c14ccc2ccccc2c1.c15ccccc1 | [
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CC(C)CCC(O)C(=O)N(O)C(O)=NC(C(O)=Nc1nc3cs1)C(C)(C)C.c13ccccc1 | [
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Cc1ncccc14.N4=C(O)C3.N3=C1NS(=O)(=O)c2ccccc21 | [
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CC1=CC=3ON1.C1=3C=NN=C1C1CCCN4C1.S4(C)(=O)=O | [
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Cc1cc3cc(C)c1.O73.C7C4.N45C.C5CC6=O.N16CCOCC1 | [
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c1ncn4n1.C46.C16CCCN17.C75.c15ccc2c(c1)OCCO2 | [
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ClC4.c14cccc5n1.N53.c13ccccn1 | [
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CC7.O67.C64=O.c14nn8cc15.c18ccccc1.C35.N3C1CCCn2nc(C)nc21 | [
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CC#CCN=C(O)N1.C1(C)C | [
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CO4.c14ccc6cc1.C56.N15CCCN7CC1.C7(=O)C(O)=Nc1ccc(C#N)cc1 | [
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CC6C.C16CC2C=CC1C1=C2Sc2cc3c(cc2S1)S/C(=C1\Sc2cc4c(cc2S1)SC1=C(S4)C2C=CC1C5C2)S3.C5(C)C | [
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N#CC1(N=C(O)C=3CCCC1.C=3c1ccco1 | [
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CC(C)CC(CN)C(O)=Nc1ccccc12.O2C(F)F | [
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CS4(=O)=O.N14CCCc2cc6ccc21.N76.C75=O.c15cccc(F)c1 | [
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CCN=c1nc4c(Cl)c[nH]1.N14CCSC3C1.C3C | [
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Cc1cc7ccc1Cl.C87=O.N85.c15ccc2oc6nc2c1.c16ccccc1Br | [
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Cc1cc3cnc1Br.N3=C(O)C2(C)N.C2(F)(F)F | [
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Cc1ccc4cc1.[C@]124CCC(=O)N1C(=N)N=C(N(C)C)N2 | [
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CC2.O52.C57=O.c17cc(N)cnc14.N34.C3(C)C6=O.N6(C)C | [
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CC(C)CCCCCCN=c1ccc2n[nH]1.C2(F)(F)F | [
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CC4.N42.S2(=O)(=O)CC3C.c13ccccc1 | [
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CC6.N64.c14cc(=NCC7[nH]c(C)n1.N73.S3(=O)(=O)c1ccc5cc1.C5(C)=O | [
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CCS(=O)C1CCCC(N=C(O)N2CCOC3C2)C1.C43.O4C | [
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CCC4.n14cc(N=C(O)C=5cn1.C=5c1ccc2ccccc2n1 | [
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Cn1c(=O)c2ccccc2n2c5[nH+]nc12.C65.N16CCCC[C@H]14.C4CO | [
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CC7=O.c17ccc5cc1.N15CCN8CC1.C8C(O)=[NH+][C@@H]6C.c16cccc2ccccc12 | [
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Cc1cc(O)nc(=S)n12.C2CO | [
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N#CCC45.c15cccc7c1.N78C(=N)O.c18ccccc1.n14cc6cn1.c16nc[nH]c2nccc1-2.O=C(O)C(F)(F)F | [
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Cc1ccc3c(Br)c1.O53.c15nccc4c1Cl.C4(=O)O | [
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CCCC[C@@H](C2CC.N52.C5(=O)C6=O.N63.C3CC4.N14CCOCC1 | [
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C[NH+]1CCC9CC1.N19CCN8CC15.C86.c16ccc7s1.C17CCCC1.C5CO | [
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Cc1ccc([N+](=O)[O-])c4c1.N14C[C@H](C)O[C@]2(CCCOC2)C1 | [
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CN1C(=O)CC4N(C)C1=O.C54.N53.C3C(O)=NC1CC1 | [
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CC4=O.N14CCC(NC2CCC(C)c3ccccc32)c2ccc(F)cc2C1 | [
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Cc1ccc(S(=O)(=O)CC5cc1.O53.c13ccc4c(O)c1.C4(=O)O | [
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Cn1cc4cn1.C4N=C(O)N5.[C@@H]15CCC[C@@H]2OCC[C@H]12 | [
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Cc1ccc4c5c1.C4(C)C.O5S(=O)(=O)c1ccc2oc(=O)ccc2c1 | [
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CCCC3.c13c(Cl)nc(=N)[nH]c12.c12cccs1 | [
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CCCCC2.C12CCCCN1N1CCCCC1 | [
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CO6.C6CN=C(O)C(C#N)C3=O.c13cc4n5n1.c14ccco1.c15cccc(Cl)c1 | [
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CC1=[NH+]c2ccccc2C2=S=C4C(=O)N12.c14ccccc1 | [
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0
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C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@H]3CC[C@@H]12.C3(=O)[O-] | [
335.22278305191,
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4,
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O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc2cc6ccc2[nH]1.c16cncc7n1.N17C[C@H]2CNC[C@@H]21 | [
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CO7.C7(=O)C5.c15ccc(F)c%10c1.c1%10ccc(Cl)nc14.C94.N19C(=O)OC6C1C.c16cc8cc%11c1.C8(F)(F)F.C%11(F)(F)F | [
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CN56.C63.C13(O)CCC1.C52=O.c12cccnc14.C14CC1 | [
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CC3(C)C.[C@@]134N6C(=O)[C@H]5N18.[C@@H]4(O)CC7.c17ccccc1.C6(=O)O.c15c(Cl)cccc1Cl.C8C9.c19ccccc1 | [
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O=COC9.N19C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N8C5=O.C8C(=O)O | [
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CS(=O)(=O)C1CSCCN13.C32=O.C12CCCCCN1 | [
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CC7.O67.C6(=O)C3.S34.[C@H]4(C)C(O)=Nc1nnc5s1.c15ccc(F)cc1 | [
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CC75.c15ccc6cc1.O6C(F)(F)F.N17CCC4CC1.C34.N13CCCCC1=O | [
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CCC(C)C(N=C(O)C(N)CO)C(O)=NC(C(O)=NC(C2C(=O)O)C(C)C.c12ccc(O)cc1 | [
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CO6.C16O[C@H]5[C@@H](O)[C@H](O)[C@H]1O.C5[124I] | [
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CCCCC(C)C[C@@H](O)C=4.C=4[C@@H]1[C@H]2CC=3C[C@@H]2C[C@H]1O.C=3CCCC(=O)O | [
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Cc1nn(C)cc13.C43=O.N14CC[C@@H](C(O)=NC2CCCC2)C1 | [
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Cc1ccc7cc1.C67.N16CC5CC1=O.C85=O.N89.c19ccc%10cc1.n1%10cccn1 | [
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1,
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1
] |
CC4.[NH2+]84.C8%10=O.c1%10ccc(N=C(O)C9=O)cc1.N97.[C@H]17CCN5C1.C56.c16ccccc1 | [
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C=C(N4c1cc2nn13.c14c(C)cc(C#N)cc1C(O)=NCCC.C2C.c13ncccc1Cl.CN.CNC(=N)C(F)(F)F | [
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42,
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CN%10C.C1%10CCN4C1.C4C8=O.N87.c17ccc(C#Cc2ccc6cc2)cc1.C96=O.N95.C5(CN)C(=O)CO | [
491.253254536,
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2,
0,
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1
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O=C4O.c14ccc([N+](=O)[O-])c5n1.O53.c13cccc(I)c1 | [
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C=C(C)C6=O.O62.C2CC4.c14ccc5c9c18.C5(=O)O.C9(=O)O.C8CC3.O73.C7(=O)C(=C)C | [
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O=Cc1cccc6c1.C76=O.N17CCN4CC1.C45=O.C15CC1 | [
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CC1CC(=O)N4C1=O.c14ccc(B2OC(C)(C)C(C)(C)O2)cc1 | [
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O=C4C(F)(F)F.C4(F)(F)C(=O)C1(F)F.C1(F)(F)C3=O.C3(F)(F)C(=O)C2(F)F.C2C(F)(F)F | [
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Cc1ccc2c(c1)OCCN25.C53=O.c13cc4on1.c14ccco1 | [
310.095356928,
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OC(C6=NC4.c16cccs1.c14cc5on1.C15Cc2ccccc2O1 | [
340.088163372,
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1,
1,
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C[C@@H]4C(O)=NC3.O42.c12cccc(Br)c1.c13nc[nH]n1 | [
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1,
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0
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O=S(=O)(Cl)C3.c13ccn2nccc2c1 | [
229.991676144,
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0,
2,
6,
14,
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0,
0,
0,
0,
2,
2,
0,
0,
0
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Cc1cccc(C(O)=Nc2ccccc2)c1N=C(O)C1CCCN16.C65=O.C15CCN4CC1.C4(C)C(O)=Nc1ccc(Cl)c(C(O)=NC2CCCC2)c1 | [
726.329646284,
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52,
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3,
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CC6.N16C(=O)C=5S/C1=N/c1ccc(F)cc1.C=5c1ccc8c(Br)c1.O78.C79.c19ccc4cc1.C4(=O)O | [
554.0311184400001,
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35,
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1,
3,
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3,
0,
1,
1
] |
N#C/C(C3=O)=C1/N=C(O)c2ccccc2N1.c13ccc(Cl)cc1 | [
323.04615424,
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CN=C(O)C5.c15ccc6cc1.c16cccc4c1.C74=O.N17CCC(F)(F)CC1 | [
372.164934384,
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1
] |
OC1C(C2=CCCC=C2)[C@@H](O)N4C(O)N13.C14CC=CCC1.C13CCCCC1 | [
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0,
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1,
1,
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] |
CC43.C13CC1.N42C.S2(=O)(=O)C1C=CC(=O)N=C1 | [
256.088163372,
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1,
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0,
0,
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1,
0,
1
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C=CC2(O)CC3.c13ccco1.C12CCCCC1 | [
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CO6.C6C4.C14CCCCN5C1.C5(=O)C2.S23.C3C(=O)O | [
289.134779216,
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19,
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0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] |
Oc1ccc4c(Cl)c1Cl.c14n[nH]c2ccccc12 | [
278.00136823599996,
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18,
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0,
0,
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2,
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CC8.O68.C69=O.c19csc(N=C(O)c2cccc(S5(=O)=O)c2)n1.N457.C4C.c17ccccc1 | [
459.092262772,
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10,
31,
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0,
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0
] |
CO8.c18ccc6cc1.c16csc(N=C(O)C=5n1.C=5c1ccc4cc1.O74.C7C(F)F | [
416.100619876,
0.14285714285714285,
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29,
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0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Clc1ccc2c(c1)C=C(C5CO2.N15CCCCC14.c14nnc2n1CCCC2 | [
384.17168910000004,
0.5238095238095238,
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0,
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27,
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0,
0,
3,
3,
1,
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2,
0,
1,
1
] |
CC3.S34.C49C.c19noc5n1.C85.N68C.C67=O.c17nc(C)c(C)nc1C | [
349.15724597600007,
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24,
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] |
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