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C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,406.56600000000014
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CCO,46.069
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CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,312.41
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c1cncc(N2CCC3(CCCN3)C2)c1,203.289
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Cc1ccc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)o1,407.4340000000003
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NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,370.4490000000002
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,660.7270000000002
CN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,448.41900000000015
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COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1,584.7200000000001
Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12,478.9400000000002
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,404.5040000000001
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CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O,838.8779999999998
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Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,421.8410000000001
COc1cc2c(cc1OCCCF)CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21,365.489
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CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,862.064
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CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1,432.60100000000017
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CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,516.6680000000003
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CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,376.13600000000025
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,424.5340000000002
NC[C@H]1CC[C@H](C(=O)O)CC1,157.21299999999997
CO[C@@H]1CCN(c2nccc(Nc3cc4c(C(C)C)ccc(N5C[C@H](CS(C)(=O)=O)[C@H]5C)c4cn3)n2)C[C@@H]1F,556.7080000000003
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,263.381
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CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1,402.4950000000003
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,785.8910000000003
CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,294.39500000000004
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,489.9310000000001
O=C(NCCO[N+](=O)[O-])c1cccnc1,211.177
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,286.45900000000006
CC(S)C(=O)NCC(=O)O,163.198
CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,382.5410000000003
CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1,234.299
CN(C)CCc1c[nH]c2ccccc12,188.274
COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,518.9320000000004
CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,279.34
CCN(Cc1nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2[nH]1)C(C)=O,349.39800000000014
CC(=O)N1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1,400.4980000000002
CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cc1,458.5260000000002
[2H]C1([2H])[C@@H]2C[C@@H]([C@H](Oc3ccc(C(F)(F)F)cn3)C2)N1C(=O)c1cccc(F)c1-c1ncccn1,460.4272035560001
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,371.524
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,410.4930000000003
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COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1,401.4420000000002
Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,276.317
CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,340.5070000000001
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,628.8139999999999
CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12,332.353
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,302.41400000000004
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,358.8500000000001
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,285.391
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,310.437
CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21,354.3670000000001
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,197.19
COC(=O)Nc1nc2ccccc2[nH]1,191.19000000000003
N[C@@H](CSCC(=O)O)C(=O)O,179.197
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,411.7850000000001
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,438.01100000000014
CCCNC(C)C(=O)Nc1ccccc1C,220.316
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,360.837
NC[C@H](CC(=O)O)c1ccc(Cl)cc1,213.664
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,229.23500000000004
CCN(CC)C(=O)N1CCN(C)CC1,199.298
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,315.587
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,354.487
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,612.6400000000004
CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1,222.372
O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,372.8080000000001
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1,482.82100000000014
O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,482.196
NNC(=O)c1ccncc1,137.142
Oc1ccc(O)cc1,110.11199999999998
N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,305.205
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,315.4170000000001
CC(N)C(=O)O,89.09399999999998
C=CCOc1ccc(CC(=O)O)cc1Cl,226.659
Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C,371.4660000000001
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,384.4350000000001
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,266.34099999999995
CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13,458.5510000000002
NC1=NC(=O)C(c2ccccc2)O1,176.17499999999998
COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,367.8770000000003
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,312.377
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21,324.341
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],388.4200000000001
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,336.29900000000004
C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,204.357
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,238.287
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,253.283
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O,223.319
CC(C)(C)C(=O)NCCCC(=O)O,187.239
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,560.6800000000004
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,363.3950000000001
Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1,329.4070000000001
Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,301.69
CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21,395.5690000000001
CC(O)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O,511.2100000000002
Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12,386.49900000000014
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O,242.231
Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,454.9130000000002
CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,381.9070000000002
C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(O)cn1,495.44500000000016
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2,345.8700000000001
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,426.5600000000003
CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O,462.93400000000025
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1,421.62900000000025
Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1,352.386
NC(=O)c1ccc(Oc2ccc(CNCCC3CCOCC3)cc2F)nc1,373.4280000000001
CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O,500.5480000000004
Oc1noc2c1CCNC2,140.142
CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2/C1=C\c1ccncc1,384.4540000000001
CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,358.4860000000002
NCc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F,446.4480000000001
[2H]c1c([2H])c([2H])c2c([nH]c(=O)n2CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c1[2H],429.9444071120001
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1,423.4720000000001
CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,291.391
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CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl,318.82899999999995
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,765.945
N[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O,239.702
COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,345.4240000000001
CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1,458.60600000000034
COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1,502.6370000000003
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,568.5630000000002
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3,328.4080000000001
COc1cc(C(=O)c2c[nH]c(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC,377.4000000000002
Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1,383.4560000000001
O=c1ncc(I)cn1[C@H]1C[C@H](O)[C@@H](CO)O1,338.10100000000006
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12,558.5630000000002
Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN(Cc2ccccc2)C1,460.6000000000003
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)/C=C/[C@@H]1C,718.9729999999997
O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1,467.25500000000017
c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,292.386
Cc1ccc(O)c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3Oc3ccc(F)c(F)c3)CC2)c1,499.4890000000002
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@@]1(C)O,658.6490000000003
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,228.251
Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1,426.5900000000002
CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](C)C(=O)OCC,526.5350000000003
CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C,282.448
CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1,414.4770000000001
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,184.107
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O,286.415
CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,394.8620000000001
N=C(NC(=N)N1CCCC1)Nc1ccc(OC(F)(F)F)cc1,315.29900000000004
CCOC(=O)NC(=N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1,538.6440000000003
COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(C(N)=O)cn1,386.4520000000001
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC,454.8700000000003
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F,616.4920000000003
COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,869.9170000000003
C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F,543.4610000000002
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1,774.941
Cc1ccn(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)N[C@@H](C)CO)Cc4ccccc43)c(C)c2)n1,460.57800000000015
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1,727.7989999999996
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1,374.4480000000001
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2,359.26
Nc1nc(C(=O)N[C@H](CO)C(=O)O)c(N)nc1C(=O)N[C@H](CO)C(=O)O,372.2940000000001
Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1,638.657
C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCc2nnn[nH]2)C(=O)O)c(F)c1,532.5360000000003
O[C@H](C[C@H]1c2c(F)cccc2-c2cncn21)[C@H]1CC[C@H](O)CC1,316.37600000000015
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1,560.4860000000001
COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)O)cc1,559.6220000000004
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12,443.5030000000003
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,306.236
CCC(CC)c1cc(C)nc2c(-c3nc(N4CCOCC4)sc3Cl)c(C)nn12,419.9820000000001
Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,473.4460000000002
C[Se]CC[C@H](N)C(=O)O,196.108
C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C,711.772
COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O,305.418
COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)CC3)nn12,479.5850000000003
Cc1cccc(Oc2cnc(=O)[nH]c2)c1,202.213
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,592.6910000000003
N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1,408.4610000000002
COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC,603.7160000000002
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,578.6010000000003
CNNCc1ccc(C(=O)NC(C)C)cc1,221.304
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,486.6010000000003
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21,349.4820000000002
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,300.3980000000001
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,434.52700000000016
C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1,473.3980000000001
CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,432.53200000000015
C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2,472.58900000000017
Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,668.6540000000005
CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1,498.65200000000016
C[C@H](NC(=O)/C(C#N)=C/C=C/c1cccc(Br)n1)c1ccccc1,382.2610000000001
COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2,487.5560000000002
O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,314.72800000000007
Nc1ncnc2c1ncn2CCOCP(=O)(O)O,273.1889999999999
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,281.35900000000004
O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1,370.792
OCC(S)CS,124.23
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,467.9320000000002
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1,516.6520000000004
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,450.9300000000002
CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,364.4230000000001
COCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](O)C1,425.9570000000003
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,456.5860000000002
CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,283.415
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)C/C=C/S(=O)(=O)C(C)(C)C)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O,474.7070000000003
Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1,477.56100000000015
Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21,540.4470000000001
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,440.5070000000002
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,298.298
CCc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1CC(=O)c1ccccc1,576.5720000000005
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,435.8890000000001
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,532.472
O=C(NO)c1ccc(CN(c2cnccn2)c2cnccn2)cc1,322.32800000000003
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,246.194
CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1,531.6790000000003
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,349.4120000000001
CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,540.6970000000002
CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12,348.45000000000005
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,288.431
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,368.4660000000002
CCOC(=O)C1(c2ccccc2)CCN(C)CC1,247.338
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,352.7700000000001
c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2,216.284
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,408.5790000000002
Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C,597.664
COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,561.6450000000002
O=C(NNC(=O)[C@@H]1CCCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,391.4060000000002
Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2,290.271
COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C1=O,606.745
Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1,265.29100000000005
O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1,341.451
Oc1ccc(-c2cc(OC3CCCC3)c3ccccc3n2)cc1O,321.37600000000003
OCl,52.46000000000001
Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,374.4140000000002
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1,773.3240000000002
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,701.994
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C1C3(C)C,871.9299999999998
N=C(N)c1ccc2nc(-c3cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)[nH]c2c1,596.5780000000002
Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1,512.0540000000003
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1,321.37699999999995
CC(=O)c1c(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,446.5550000000004
CC[C@@H](C(N)=O)N1C[C@H](C=C(F)F)CC1=O,232.23
CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1,516.3090000000002
CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O,350.4550000000002
CN1CCCN=C1/C=C/c1cccs1,206.314
CC1=CC(=O)c2c(O)cccc2C1=O,188.182
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,289.80600000000004
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,554.7320000000002
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,346.8210000000001
CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1,717.8880000000001
COc1ccc(OC)c(C(O)CNC(=O)CN)c1,254.286
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1,510.4810000000003
Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1,252.234
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,490.6260000000003
CC(C)(C)N/C(=N\C#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1,405.5020000000001
CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1,463.56300000000016
COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1,525.6130000000003
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F,412.42800000000005
COC[C@H](NC(=O)c1ccn(S(C)(=O)=O)c1)C(=O)Nc1nc(-c2cccc(N3C[C@H](C)O[C@H](C)C3)n2)cs1,562.6740000000003
O=C(CCCC(=O)NCCc1ncc[nH]1)NCCc1ncc[nH]1,318.38100000000003
Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)nccc2c1Nc1ncccc1-c1ncnc2[nH]cnc12,528.498
CN(C)CC/C=C1\c2ccccc2CSc2ccccc21,295.451
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,285.35100000000006
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,325.843
NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1,263.38099999999986
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,309.45300000000003
FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1,381.4410000000001
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1,375.48
C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1,613.5350000000002
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1,281.3990000000001
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,252.316
Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C,331.3790000000001
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,387.44000000000017
N#C/C(=C\C=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1,320.348
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C,456.7110000000003
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2,305.374
C[C@@H](NCc1nc2ccc(Oc3cc(F)c(F)c(F)c3)nc2n1C1CCC1)C(N)=O,419.4070000000002
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,329.44000000000005
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,319.336
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,421.9000000000002
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1,236.231
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1,470.5250000000002
C=C(CC(NC(=O)c1ccc(CCc2ccc3nc(N)nc(N)c3c2)cc1)C(=O)O)C(=O)O,449.46700000000016
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,327.46800000000013
CC(C)n1cc(C#N)c2cc(-n3cc(C(=O)O)cn3)ccc21,294.314
N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12,376.43500000000006
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1,376.334
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl,419.0090000000001
CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1,718.725
CCOC(=O)c1ncn2c1CN(C)C(=O)c1c(I)cccc1-2,411.199
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12,383.4950000000002
CC(C)(N)Cc1ccccc1,149.237
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,468.59400000000034
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,266.25700000000006
COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1,588.4910000000003
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,457.4830000000002
Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1,401.47400000000016
CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1,471.6630000000002
C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C,321.50500000000005
Cc1c(NCCN2CCCC2)cc(C(=O)CCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,609.4949999999999
COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N/C(=N/CCCCCCOc2ccc(Cl)cc2)NC#N)cc1,637.1540000000003
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,180.156
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,434.47000000000014
COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,328.481
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,255.25
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,356.5060000000001
C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C,256.38899999999995
COc1cc(C(C)=O)ccc1O,166.176
CN(C)/N=N/c1[nH]cnc1C(N)=O,182.187
CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,293.454
O=C(CCCl)NCc1ccccc1,197.665
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,296.4100000000001
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,440.4200000000002
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,360.45000000000016
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,354.4500000000001
CN(C)C(=O)Oc1ccc[n+](C)c1,181.215
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,226.236
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,270.24
Cc1ccc(=O)n(-c2ccccc2)c1,185.22600000000003
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,288.38699999999994
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,300.44200000000006
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,375.5590000000001
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,348.50700000000023
C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1,461.5050000000001
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2,294.745
CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1,497.3940000000001
Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,351.4090000000001
COc1ccc(CN2CCNCC2)c(OC)c1OC,266.34099999999995
OC(O)C(Cl)(Cl)Cl,165.403
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,436.5200000000002
CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1,434.54400000000015
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1,518.5950000000003
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12,285.321
O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5,472.5410000000003
O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12,443.4500000000001
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,387.523
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,258.23299999999995
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,467.6540000000002
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,585.6980000000002
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1,329.487
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,249.29500000000004
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C,326.4360000000001
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1,290.794
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Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1,367.38700000000006
COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1,365.454
COC(=O)C1(OC(=O)c2cncn2[C@H](C)c2ccccc2)CC1,314.3410000000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3,435.4550000000002
O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cscc12,425.4130000000001
C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O,626.4550000000002
N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1,397.4820000000002
O=C(O)CC[C@H](NP(=O)(O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(=O)O)C(=O)O)C(=O)O,706.6140000000006
Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1,411.38800000000026
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1,740.9450000000004
C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)[C@H](O)[C@@]3(CO)O[C@H]3[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)[C@@H](C)CC,562.6560000000003
CNC(C)Cc1ccc2c(c1)OCO2,193.24599999999995
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,340.49200000000013
CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1,440.5510000000002
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CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F,571.5590000000001
Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3cc(O)ccc3c12,348.4500000000001
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COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,450.5140000000004
CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2CO)cc1)C(=O)NO,369.4210000000001
N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,243.223
CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12,690.8600000000002
CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,415.7950000000001
CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1,501.56100000000026
[11CH3]Oc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,469.3604336000001
CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1,503.5210000000002
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],316.135
CCN(CC)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nn2c(C)cc(C)nc12,397.4849380000001
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,624.8739999999999
CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,424.946
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C,604.7520000000002
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,460.43900000000014
COC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,314.2560000000001
COc1cccc([C@H]2C[C@@H](N[C@H](C)c3ccccc3)C(=O)N2c2ccc(C(F)(F)F)cc2)c1,454.4920000000001
c1ccc2cc(COC3CCNCC3)ccc2c1,241.33399999999995
CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21,386.5860000000001
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,508.5580000000002
Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1,432.44000000000017
CC(=O)OP(=O)(O)N(C[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)c1ccon1,530.3520000000002
CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl,432.7460000000001
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,404.9340000000003
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,361.3970000000001
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,456.3220000000001
CCOC(Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1,375.424
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,328.45200000000006
CC(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2,240.262
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,263.2
C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,342.47900000000016
Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,352.34600000000006
CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,323.4360000000001
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@@H]1CCCNC1)O2,332.44400000000013
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3cc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc3c2)c[nH]1)C(C)C,762.912
CC(C)[C@H](N)C(=O)NCCCS(=O)(=O)O,238.309
CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,576.696
COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCNCC4)c3)nc12,438.5320000000002
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1C(C)(C)C1(C)C)C(=O)OCC#N,559.6500000000002
NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,489.0850000000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2[Si](C)(C)C(C)(C)C,478.6210000000002
OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O,180.156
CC(=O)CCC(=O)O,116.116
CCCCCCCCCCC(=O)O,186.295
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,404.54700000000025
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,357.3220000000001
C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,614.4110000000003
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,303.293
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,293.32200000000006
CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13,310.44100000000003
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O,262.268
CC(C)(C)NCC(O)c1ccccc1Cl,227.735
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,288.475
CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,338.4550000000001
Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O,410.4270000000002
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,281.271
[SrH2],89.63600000000001
CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,466.4560000000002
Nc1ccc(O)c(C(=O)O)c1,153.137
Nc1c2c(nc3ccccc13)CCCC2,198.26899999999992
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,582.8160000000005
N[C@H](CC(=O)O)C(=O)O,133.10299999999998
O=C(O)CSCC(=O)NC1CCSC1=O,249.313
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,484.50300000000016
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C,738.8900000000001
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,180.156
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O,259.218
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,448.39400000000006
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,811.8780000000002
FCOC(C(F)(F)F)C(F)(F)F,200.053
C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,357.41900000000004
CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21,468.5580000000002
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12,538.5540000000002
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1,490.6370000000002
COCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1,355.43800000000005
COc1cccc(/C=N/N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1,350.34000000000003
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)C3CCCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)C)c4cccs4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,896.0210000000002
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1,609.503
Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,319.408
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,424.088
CCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1,629.291
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2cccs2)n1,586.7170000000002
O=c1[nH]c(=O)n(C2CCCO2)cc1F,200.169
Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,420.48800000000017
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,311.46900000000005
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,378.4060000000001
CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C,314.38900000000007
COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1,735.8190000000001
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,392.49900000000014
CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](O)CC2)c(C(=O)O)s1,445.6250000000002
C1CCCCC1,84.162
C[C@@H](N)COc1ccc(-c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23)cc1,405.4770000000001
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1,216.328
Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,382.5310000000001
CNCCc1ccccn1,136.19799999999995
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,567.7960000000003
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,351.47100000000006
[15OH2],17.019065599999998
CN(C)CC(Oc1ccccc1)Oc1ccccc1,257.333
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,401.8460000000001
COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C,406.36000000000007
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,347.3960000000001
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O,412.6580000000002
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,381.3790000000001
O=C(O)C1=CC[C@@H]2CC(=O)N12,153.137
N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2,409.8200000000002
O=C(CO)CO,90.078
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,270.24
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,440.42900000000026
CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1,359.43193800000006
Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O,572.6120000000001
Cc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12,240.215
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1,557.8400000000003
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3F)nc2C)ccc1OC(C)(C)C(=O)O,499.5510000000002
C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1,723.5929999999998
N#Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](N)C2)c2cccnc12,320.3179999999999
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,446.5070000000002
Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl,228.122
COc1ccc(C(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1,454.6580000000002
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@@H]1O,461.5190000000002
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)[C@@H]5CCCN5C)cc(F)c4C[C@H]3C[C@@H]12,558.5630000000002
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1,428.46300000000014
CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1,627.8260000000004
O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,448.4490000000003
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,530.6650000000002
Cc1cccc(C(C)c2c[nH]cn2)c1C,200.28500000000005
Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1,440.8660000000001
c1ccc2ccccc2c1,128.17399999999995
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,359.4010000000001
Cc1ccc(Sc2ccccc2C2CCNCC2)cc1,283.44
CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I,789.0989999999998
CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1,416.52200000000016
COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1,572.3430000000001
COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1,356.32800000000003
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C,894.127
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C,518.6580000000004
O=C(NO)c1cnc(N2C[C@H]3[C@H](NCc4ccc5cc(F)ccc5n4)[C@H]3C2)nc1,394.4100000000001
CCC1(C)OC(=O)N(C)C1=O,157.16899999999995
C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1,580.4810000000003
CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1,520.6150000000001
CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(CCCN(CCCC)CCCC)cc1,533.7530000000006
Nc1ccn([C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,259.287
CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO,423.5160000000001
CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12,327.8150000000001
C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1,292.4899999999999
COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1,387.4400000000001
CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21,463.6220000000002
O/N=c1\cc(-c2cc3sccc3cn2)oc2ccc(CCCN3CCOCC3)cc12,421.5220000000004
COc1nc(N)nc2c1ncn2[C@H]1CC[C@@H](CO)O1,265.273
CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1,527.5530000000002
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,450.5640000000004
Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1,424.39000000000016
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1,442.323
O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O,371.028
CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1,520.6110000000002
CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1,398.36500000000007
CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21,336.3590000000001
COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1,386.44800000000015
CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,512.5720000000002
O=CN(O)CCCP(=O)(O)O,183.1
CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23,400.28800000000007
CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,473.3810000000001
CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C,298.42600000000004
CCNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1,322.399
CCOc1ccccc1OCC1CNCCO1,237.29899999999992
CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O,272.13500000000005
CNC[C@@H]1OCCc2ccsc21,183.276
Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1,315.7390000000001
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C,435.5280000000001
C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1F,552.4370000000004
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,360.5380000000002
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1,365.36800000000005
CC1=NN(c2ccc3c(c2)CCCC3)C(=O)/C1=N\Nc1cccc(-c2ccc(C(=O)O)o2)c1O,458.47400000000016
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1,486.6490000000005
CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)c(F)c1,513.3780000000003
N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1,425.4140000000001
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1,468.5750000000001
[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H],113.22791600199996
Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1,482.5620000000003
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2,436.34600000000006
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O,286.223
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,581.6730000000001
CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1,482.50500000000017
C=CC[C@@]12CCCN1C(=O)CNC2=O,194.234
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3csc4c(-c5ccc(-c6c[nH]c([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)n6)cc5)csc34)ccc2[nH]1)C(C)C,885.085
CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,376.24000000000007
COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1,379.54400000000015
COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,422.359
C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,317.49700000000024
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,432.46900000000016
CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,510.5020000000002
COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1,619.7190000000002
Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,310.35300000000007
COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl,451.9180000000002
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,427.4200000000002
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,652.8360000000004
COC[C@H]1C[C@@](Cn2cccn2)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1,512.6320000000003
O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(-c4ncco4)cc3)cc2)cc1,481.5520000000001
O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1,510.4720000000002
Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12,399.37200000000007
Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,415.54100000000017
CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O,428.31600000000014
O=C(c1cc(Cn2c(=O)[nH]c(=O)c3c(F)cccc32)ccc1F)N1CCN(c2ncccn2)CC1,478.4590000000003
CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,556.6600000000003
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,352.45400000000006
N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F,534.5670000000003
C[C@H]1CNCCc2ccc(Cl)cc21,195.693
Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2,220.31199999999995
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12,614.6300000000001
O=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1,405.473
CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1,497.5920000000003
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1,417.82200000000006
Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O,252.26999999999995
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,314.36600000000004
COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F,371.258
CC1=CN2CCS(=O)(=O)N=C2C(c2ccc(OC3CCCCC3)cc2)=N1,373.4780000000002
C[C@H]1OC[C@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)N=C(N)SC[C@H]12,437.4470000000001
C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1,561.47
[81Kr],80.916592
CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C,339.47900000000016
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,325.449
CNC(=O)Oc1cccc2ccccc12,201.225
N#CCNC(=O)CNc1ccc(C(=O)O)cc1,233.227
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1,620.735
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1,624.4090000000002
O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1,232.214
CN[C@@H](C)[C@H](O)c1ccccc1,165.236
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O,847.0190000000003
Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1,495.0270000000004
CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O,302.411
C#Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1,479.96700000000016
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1,424.56400000000014
CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c2ccccc21,556.5070000000002
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,393.4680000000001
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1,409.83300000000014
CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1,303.833
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,353.5300000000001
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,810.4660000000001
CCC(C)SSc1ncc[nH]1,188.32100000000003
CC(C)Cn1cnc2c(N)nc3ccccc3c21,240.31
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,450.34500000000014
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,828.0060000000002
Cc1occc(=O)c1O,126.11099999999998
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,467.5200000000002
Nc1ccccc1C(=O)C[C@H](N)C(=O)O,208.217
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,464.8310000000001
O=S(=O)(O)CCCS(=O)(=O)O,204.225
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,220.228
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,407.50500000000017
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,504.6360000000004
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,254.241
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1,317.23
COc1cc(C2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3OC2CO)ccc1O,482.4410000000002
CCOc1ccc(NC(=O)CC(C)O)cc1,223.272
COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,277.4079999999999
COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1,308.38100000000003
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1,396.4460000000001
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,539.5920000000003
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,313.788
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,257.289
CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,334.568
OC1OC[C@@H](O)[C@H](O)[C@H]1O,150.13
CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21,296.326
CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1,301.729
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,309.4940000000001
NC(=O)OC[C@H](N)Cc1ccccc1,194.23400000000004
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1,380.4270000000001
c1cc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc2[nH]1,320.396
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21,400.5590000000002
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,424.9910000000001
CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,703.6240000000003
C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1,320.368
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1,543.5250000000003
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12,528.6750000000004
Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,414.39500000000015
Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1,765.8929999999999
CC(=O)OCC[N+](C)(C)C,146.21
Nc1ccc(/N=N/c2ccccc2)c(N)n1,213.24400000000003
CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,361.485
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,318.7680000000001
O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,403.4410000000001
O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,383.1650000000001
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,268.744
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21,481.53000000000026
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F,395.3940000000001
CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,372.5340000000002
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1,373.4970000000002
CC(C)OC(=O)[C@H](C)N[P@+]([O-])(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1,644.6220000000002
O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1,455.4800000000001
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,240.4349999999999
CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)nn2)CC1,381.4830000000001
CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-],579.2750000000002
COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21,439.31300000000016
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1,355.3650000000001
CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)n1c(=O)[nH]c3ccccc31)C2,300.3620000000001
NC(=O)CN1C=CCC(C(N)=O)=C1,181.195
O=S(=O)(O)CCSSCCS(=O)(=O)O,282.386
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,482.6280000000002
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O,702.1179999999999
O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1,433.5770000000001
CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1,776.0420000000001
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1,345.399
CN(C)CCN(C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1,475.6330000000004
C[C@H]1N=C(N(C)C)N=C(N)N1,155.205
CN(C)C(=O)N1C[C@H]2C[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C[C@H]2C1,365.45300000000015
C=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,302.41400000000004
CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,255.745
CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1,393.4680000000001
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,566.5310000000001
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C,398.6750000000002
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I,371.106
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C,447.49100000000016
O=S(=O)(O)c1cc(O)ccc1O,190.176
O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3C(F)(F)F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1,745.263
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2,646.7440000000001
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O,241.28699999999992
C/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(OC)C(=O)O1)C(C)(C)C)OC(N)=O,571.7150000000003
CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1,615.4910000000003
COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl,325.40600000000006
CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1,233.355
C[Si](C)(C)c1cc([Si](C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O,424.6490000000001
CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O,410.49300000000017
C[N+](C)(C)CCOC(N)=O,147.19799999999998
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C,636.8370000000001
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1,558.1480000000001
O=C(O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1,396.369
CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21,420.5360000000002
Cc1cc(C2CCCCC2)n(OCOP(=O)(O)O)c(=O)c1,317.278
CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,414.89700000000016
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,869.6599999999994
C[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN,315.3260000000001
O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F,565.2860000000001
O=C(CCc1ccc(CN[C@H](C(=O)OC2CCCC2)C2CCCCC2)cn1)NO,403.5230000000002
N#CCCCSC(=N)N,143.21499999999995
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,248.24900000000005
CN(C)CCCn1c2c(c3ccccc31)CCCCCC2,284.44700000000006
O=C(CCBr)N1CCN(C(=O)CCBr)CC1,356.058
CCCNCCOc1cc(F)cc(S(C)(=O)=O)c1,275.345
CC(COc1ccccc1)NN,166.224
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,312.4420000000001
Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1,555.6370000000003
NCCCCN,88.15400000000001
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,309.331
Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1,445.4240000000002
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,204.229
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,507.49800000000016
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,384.58600000000007
C=CCl,62.499
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,407.57600000000014
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,428.5400000000001
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,261.708
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,441.57500000000016
CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1,487.4120000000002
CNCC[C@@H](Oc1ccccc1C)c1ccccc1,255.361
C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O,254.355
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,295.379
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,474.5870000000004
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,373.496
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,457.6870000000002
O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F,431.205
O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,414.34600000000006
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,392.4670000000002
NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1,338.4070000000001
O,18.015
COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,417.50600000000026
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,340.46300000000014
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,472.7540000000004
NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,484.50300000000016
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,366.50100000000015
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,747.9640000000002
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,330.5120000000001
CC(=O)N[C@@H](CC(C)C)C(=O)O,173.21199999999996
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,282.33899999999994
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,534.4320000000001
[2H]O[2H],20.027203556
CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C)nc12,398.4820000000001
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,584.105
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,583.6890000000001
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,358.4380000000001
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,315.3690000000001
Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl,393.8340000000002
O=c1[nH]nc2c3c(cccc13)Oc1ccc(CN3CCC(O)CC3)cc1-2,349.3900000000001
CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1,435.52800000000025
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,586.1970000000001
COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F,451.47700000000026
COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O,583.4980000000005
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2,560.6290000000004
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([124I])cc1,634.6262099000005
O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1,329.44400000000013
C=C(C[C@H](NC(=O)c1ccc(CCc2ccc3nc(N)nc(N)c3c2)cc1)C(=O)O)C(=O)O,449.46700000000016
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,376.4680000000002
O=C(O)c1nc(=O)[nH]c(=O)[nH]1,157.085
[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCn1c(=O)c2c(ncn2C)n(C)c1=O,285.35850889000005
COc1c2occc2cc2ccc(=O)oc12,216.19199999999995
Cc1ccc(C23CNCC2C3)cc1,173.259
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,244.207
O=C(O)CC(=O)C(=O)O,132.071
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,299.8020000000001
CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,274.795
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,475.58700000000016
Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,444.4230000000002
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,357.435
ClC=C(Cl)Cl,131.389
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,500.60700000000026
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,356.057
CCCCCCNC(=N)NC(=N)N,185.275
CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,575.6320000000002
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,403.5260000000002
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,267.31
N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1,562.571
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C,312.45300000000003
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,551.7690000000003
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,330.749
Clc1ccc2nsnc2c1NC1=NCCN1,253.718
CN1CC(=O)NC1=N,113.12
CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,266.688
CCN(CC)C(=S)SSC(=S)N(CC)CC,296.5520000000001
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,430.5450000000004
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,294.307
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,318.5010000000001
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1,518.0610000000005
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,459.5060000000003
Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,305.761
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,277.496
O=[O+][O-],47.997
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1,368.4330000000001
COc1cc2c(c(OC)c1OC)-c1ccc(OP(=O)(O)O)cc1[C@@H](NC(C)=O)CC2,437.3850000000002
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,470.3340000000002
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc2C3=NO)C1,588.7520000000002
NNc1nncc2ccccc12,160.17999999999998
CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,487.5090000000003
O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,377.48800000000017
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,684.9550000000003
COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1,466.3390000000002
CCc1noc(CC)c1C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,499.6040000000002
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1,428.44300000000015
CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,404.42200000000014
OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,337.336
Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C,444.58300000000014
C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,392.5220000000001
Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1,366.4830000000001
Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,298.4550000000001
CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1,397.4790000000002
Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1,405.502
Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1,586.571
CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccc(C#N)cc45)ccc3c2)CC1,450.5460000000002
CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1,387.85000000000014
Cc1cc(C2=NO[C@@](c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(=O)NCC(F)(F)F,596.7640000000002
O=P(O)(NCCCl)NCCCl,221.024
O=c1[nH]c2cc(Cl)ccc2o1,169.56699999999998
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1,275.26399999999995
CCC1(c2ccccc2)C(=O)NCNC1=O,218.256
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O,482.54000000000025
CC(C(=O)O)c1cccc(Oc2ccccc2)c1,242.274
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,427.203
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,776.8720000000001
Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)O)cn3Cc2ccc(C(C)(C)C)cc2)c1,425.5280000000002
COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC,749.308
O[C@H]1CCCN[C@@H]1CCCn1cnc2c(Cl)c(Cl)ccc21,328.243
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,253.737
CCN1c2ncc(CCOc3cc[n+]([O-])c4ccccc34)cc2C(=O)N(C)c2cccnc21,441.4910000000002
Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1,376.26200000000017
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21,499.6560000000004
O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O,303.38700000000006
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21,388.55500000000006
CC(C)Nc1ncccn1,137.18599999999998
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,273.244
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C,482.7270000000003
CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2,339.468
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C,400.6030000000002
CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21,526.6850000000003
COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,437.2440000000001
OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,434.52700000000016
CN1CCC(N(Cc2cccs2)c2ccccc2)CC1,286.44400000000013
CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21,357.41400000000016
O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr,307.966
CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[nH]2)C(CCCO)=C4C)C(C)=C3CCCO,874.0889999999997
O=c1c(-c2ccccc2)coc2ccccc12,222.243
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,251.246
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O,583.7070000000003
CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,425.5980000000002
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)/C2=C\F)c(=O)n1,257.221
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F,437.4750000000001
CCNCCCCNCCCCNCCCCNCC,286.508
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N,363.4610000000001
COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C,317.3920000000001
CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,491.6170000000001
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,791.1150000000001
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1,491.3940000000004
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C,499.67800000000034
CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1,545.9130000000002
CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1,329.5280000000001
O=c1c2ccccc2[se]n1CCn1[se]c2ccccc2c1=O,422.20400000000006
CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1,336.6080000000001
O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,586.8590000000002
CCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21,476.5630000000003
CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,700.7910000000002
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O,546.5870000000002
COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1,404.47400000000016
C=C(C#N)C(=O)OCCC(C)C,167.208
CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1,468.4060000000002
CCCCCCCCC([18F])CCCC[C@@H]1C[C@H]1CC(=O)O,299.46093799999994
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,470.01700000000034
CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C,339.47900000000016
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,236.278
OC1CN(CCCOCCc2ccc3sccc3c2)C1,291.41600000000005
CNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)OC)cc3)c2)c2cc(OC)c(OC)cc2n1,472.5010000000002
NC[C@H]1OB(O)c2c(OCCCO)cccc21,237.064
CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,314.425
CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O,361.47100000000006
COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C,561.6090000000002
N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1,373.378
NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21,465.55400000000014
CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,665.7739999999997
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1,406.9180000000002
Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1,317.38500000000005
C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1,466.9540000000002
COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,486.8490000000002
O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,314.3090000000001
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)C)[C@@H]2CC1,293.40700000000004
O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1,392.519
O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,297.13699999999994
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1,436.888
CCCCCCCCO,130.23100000000002
CC(O)(P(=O)(O)O)P(=O)(O)O,206.027
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,340.427
C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,634.6010000000005
[N-]=[N+]=O,44.013
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,334.39700000000005
CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,616.6219999999998
C[C@@H]1O[C@H](C)CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12,487.4440000000002
CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1,717.7789999999999
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1,552.5410000000003
C[C@]1(C(=O)N(CCCC(=O)O)Cc2cccc(Cl)c2)CCN1C(=O)c1csc2ccccc12,485.0050000000003
CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,468.5570000000002
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1,444.94000000000017
Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21,400.3940000000001
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1,370.40500000000014
O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1,335.3420000000001
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,350.4360000000001
c1cc2c(c(N3CCNCC3)c1)OCCO2,220.272
COc1cccc2[nH]c3c4c(c5c(c3c12)C(=O)N(CN1CCN(C)CC1)C5=O)CCC4,418.4970000000003
CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,393.5060000000001
CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1,433.3390000000001
Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,405.4730000000002
CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1,509.6000000000004
CCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2,416.47000000000025
N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,305.205
CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1,349.41200000000003
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21,532.4500000000002
CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1,230.286
COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,557.6070000000001
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,402.48700000000014
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,244.31600000000003
Oc1cccc(O)c1O,126.11099999999998
Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1,255.234
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C,332.5280000000001
C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,217.225
CC(CN1c2ccccc2Sc2ccccc21)N(C)C,284.428
NC(=O)NO,76.05499999999999
CNC(C)C(=O)c1ccc(C)cc1,177.247
CC(=O)NO,75.067
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](F)[C@@H]2O,290.378
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1,465.6330000000004
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO,496.57500000000033
CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O,352.5180000000001
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1,436.3100000000002
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,372.4610000000002
NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,313.78799999999995
NCCCC[C@H](N)C(=O)O,146.19
CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@](C)(N)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O,730.051
Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,415.96800000000025
CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,895.9919999999998
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,871.3389999999997
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC,479.5180000000002
O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,409.4230000000002
C[C@H](NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1)C(F)(F)F,418.37200000000007
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,464.8580000000002
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,242.274
CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,458.0060000000002
C[C@@H]1NC(=O)[C@H](CC(=O)O)NC1=O,186.167
CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1,268.313
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,249.273
CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,369.5090000000002
CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1,384.49700000000007
CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2cccnc21,378.3920000000001
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,472.44600000000025
N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O,787.4840000000002
CN1CCN(C(=O)[C@H](CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(-n3ccnn3)cc2)CC1,519.6250000000001
C[S@+]([O-])CCOc1cc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)cc1F,604.6650000000002
CC[N+](C)(C)c1cccc(O)c1,166.24399999999997
O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,150.13
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F,581.6540000000003
COc1ccc(CCN2CCC[C@H](CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC,482.6210000000003
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CCO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,529.5420000000004
CCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)o1,481.63000000000034
Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,263.27500000000003
N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2,342.402
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2,492.00400000000025
CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,591.7840000000001
CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc21,433.5240000000002
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,361.4450000000001
O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1,388.8950000000002
O=S(=O)(O)CC(S)CS,188.295
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,228.247
CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F,523.9550000000003
Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1,402.5060000000002
Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F,372.3410000000001
CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21,526.4040000000001
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O,519.5510000000002
CN(C)Cc1ccccc1Sc1ccc(C#N)cc1N,283.40000000000003
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,307.478
Cc1ccncc1N1CCN(c2ccnc(Cl)c2)C1=O,288.73800000000006
CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21,437.97100000000006
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C,400.6470000000002
CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1,527.6730000000003
CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,243.31
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,635.8389999999998
O=C1NOCC1/N=C/c1ccc(/C=N/C2CONC2=O)cc1,302.2900000000001
NC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21,362.426
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CNC2,401.3980000000002
CCOc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1,356.44700000000006
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO,319.2700000000001
CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21,593.9010000000003
CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2,506.55100000000033
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21,587.6770000000002
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,470.5330000000003
COc1ccc2nc3c(nc2c1)O[C@@H]1C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C/CCCCC[C@H](NC(=O)O[C@@H]4CCC[C@H]4CCCCC3)C(=O)N2C1,821.0099999999994
CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1,473.9360000000002
O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCC1,338.22600000000017
CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O,344.886
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](F)C=O,166.14799999999997
CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,556.7690000000005
CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1,450.4650000000002
CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1,406.4900000000002
CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl,592.1400000000002
Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1,383.4190000000001
NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,320.396
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1,376.4530000000002
CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,378.4500000000001
CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1,262.361
C1=Cc2ccccc2NN=C1,144.17699999999996
CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1,432.88700000000017
COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,309.34700000000004
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,552.7240000000003
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1,507.6420000000003
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)n1,443.5150000000003
COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1,452.4670000000002
CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N,354.3850000000001
CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21,377.5100000000001
N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1,405.88900000000007
CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F,377.447
NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl,443.9960000000002
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1,506.7090000000003
NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1,638.8319999999999
CN(C)c1cc2c(cc1Sc1nc3c(N)nccc3n1CCNCC(C)(C)C)OCO2,442.5890000000003
COCCNCCc1cccc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)c1,468.5760000000002
Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2,457.4470000000003
O=C(O)CCCCCCCNC(=O)c1ccccc1O,279.336
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1,457.6150000000003
CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1,570.6460000000004
COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,845.936
CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C,499.5340000000003
COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC,386.3560000000001
COc1nn(C)cc1Nc1nccc(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)n1,489.5840000000003
CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1,550.9200000000006
CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1,416.47400000000016
N#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O,252.23
Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,346.3500000000001
O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,380.3610000000001
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1,452.55100000000033
CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12,580.418
O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)COCC4)C(=O)N12,305.31500000000005
CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1,516.6040000000002
C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,560.6050000000001
C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,356.506
Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,432.5310000000003
CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1,633.6999999999999
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1,379.5440000000001
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2,399.37800000000016
CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12,287.406
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,450.6490000000003
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21,440.5000000000002
N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1,520.0390000000003
COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2,356.78800000000007
N=C(NOCC(O)CN1CCCCC1)c1cccnc1,278.35599999999994
Cc1cc(-c2ccccc2)nnc1N1CCN(c2ncccn2)CC1,332.41100000000006
CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1,620.6850000000002
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,275.39500000000004
CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN,348.4900000000002
CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1,409.51100000000014
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1,379.8650000000001
C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21,293.41
N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1,567.6210000000003
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1,392.4620000000001
C=C(C#N)C(=O)OC(C)CCCCCC,209.2889999999999
OC[C@H]1CNC[C@@H](O)[C@@H]1O,147.174
Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F,456.42400000000015
CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O,259.302
CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc32)CC1)OCOC(=O)C(C)(C)C,527.5150000000003
Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1,261.708
CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F,471.4700000000002
CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,603.7500000000003
Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1,447.342
O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1,455.9140000000003
Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,498.57000000000016
O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O,241.1
CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1,459.5860000000004
Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,267.32800000000003
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,525.6570000000004
CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,411.5500000000004
Cc1nc(OCCCCCN2CCCCC2)cc(-c2ccc(F)cc2)n1,357.473
C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12,374.4840000000001
COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1,469.5450000000002
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12,390.24500000000006
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1,532.07
CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1,452.5590000000003
Nc1nc(=O)n([C@@H]2C=C[C@H](CO)O2)cc1F,227.195
NC(=O)[C@](O)(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F,509.3950000000001
CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,367.489
[127Xe],126.905184
CN1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)C=N1,308.313
CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)OCCCC)=C(OC(=O)CCC)C[C@H]1O,480.6860000000003
N/N=c1\[nH][nH]/c(=N\N)c2ccccc12,190.21000000000004
CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1,338.4070000000001
CCN(CC)CCNC(=O)c1cc(I)c(NC(=O)c2ccc(F)cc2)cc1OC,513.3510000000001
NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1,386.44100000000014
O=NN(CCCl)C(=O)NC1CCCCC1,233.699
CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,435.2270000000001
CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC,591.5570000000001
O=C(c1cccnc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1,390.83
CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O,472.53900000000016
CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,507.57300000000026
CCCc1c(OCc2ccc([C@H](O)c3cccc(C(=O)O)c3)cc2)ccc(C(C)=O)c1O,434.48800000000017
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,325.4600000000001
CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,501.6600000000002
[O-][n+]1ccc(O)c(O)c1-c1c(O)c(O)cc[n+]1[O-],252.182
COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF,431.2890000000002
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC,792.088999999999
[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H],314.42181422400006
Cc1c[nH]c(-c2ccc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3F)c3c2C(=O)NC3)n1,495.4360000000002
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O,355.8690000000001
O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)NC(=O)c1ccccc1S2(=O)=O,467.45000000000016
CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21,367.107
NC(=O)/C(=C/n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1,428.296
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C,424.6220000000002
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,499.6190000000003
Cn1ncc2cc(-c3cc(CCC(=O)O)cc(N)c3OC3Cc4ccccc4C3)ccc21,427.5040000000002
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,425.4673053340002
O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1,410.90100000000007
CNC(=S)NCO,120.177
CCOC(=O)O[C@@H](C)n1nnnc1-c1c(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2F)cnn1C,598.0390000000002
O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O,399.4910000000002
O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1,404.4220000000001
C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O,302.34900000000005
O=S(O)(O)=S,114.147
O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3,429.35000000000025
C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1,506.2970000000001
CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,377.4300000000003
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F,414.741
CO[C@]1(CN2CCN3CCCC[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3,765.4609999999997
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,443.5510000000004
C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1,355.3730000000001
COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,461.90900000000016
CC(C)NC(C)Cc1ccc(I)cc1,303.187
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3ccccc3C5=O)O[C@H]2C)C[C@H](N)[C@@H]1O,643.6420000000002
Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br,483.37000000000006
Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12,375.42800000000005
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl,537.5760000000002
O=C(c1ccc2nonc2c1)N1CCCCC1,231.255
CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,382.4630000000001
COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1,508.5640000000002
COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1,470.5330000000002
Cc1ccc(C(=O)NNC(=O)c2c(C)cccc2Cl)cc1C#Cc1cnc2ccccc2c1,453.9290000000002
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,428.5960000000003
CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1,483.6730000000004
CC(C)Oc1ccc(-n2cnc3cc(/C=C\c4ccc(C(C)(C)O)cc4)ccc32)cc1,412.5330000000002
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O,674.9720000000001
N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,393.8460000000001
Cc1cc(OCC(=O)O)c(C)cc1CCN[C@@H](C)[C@H](O)c1ccc(O)cc1,373.44900000000007
Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O,425.7540000000001
CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,450.7070000000002
O=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,366.4360000000001
O=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1,299.713
CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,446.01600000000025
Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O,334.15700000000004
CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,389.4770000000002
COc1ccc2c(c1)CN(Cc1ccc(C(=O)O)cc1)CCS2,329.42100000000005
COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N,422.42400000000015
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccco3)O[C@]12C(=O)C[18F],427.5029380000002
Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C,432.5720000000002
CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1,345.39300000000014
CC(C)c1cccc([C@H](C)C2CC2)c1O,204.313
O[C@@]1(c2ncccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,440.374
O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1,704.6500000000004
Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1C(=O)NC(=N)N,333.391
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,533.6390000000004
O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1,377.8320000000001
C#C[C@@]1(CO)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1,248.238
O=C(Nc1ccc(F)cc1)c1cnc(SCc2cc(OC(F)(F)F)ccc2B(O)O)nc1,467.20900000000006
C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1,395.4670000000002
Cc1ncccc1OC[C@@H]1CCCN1,192.262
CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1,574.991
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl,335.856
C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl,450.4060000000002
COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1,352.4780000000001
Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1,331.46300000000014
CCC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1OC[C@@H](n2ccc(N)nc2=O)O1)Oc1ccc(Br)cc1,589.3800000000003
Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1,359.4740000000002
CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1,352.4810000000001
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,434.50400000000025
Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,461.5690000000002
CN(C)CCOC(C)(c1ccccc1)c1ccccn1,270.37600000000003
Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1,241.254
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@@H]2[C@@H](C(=O)O)[C@@H]2C3)c1,521.6350000000003
CN1CC2CCCC(C1)C2OC(=O)C(O)(c1ccccc1)C1CCCC1,357.4940000000002
CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1,251.713
N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O,349.3930000000001
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,328.151
Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN3CCOC[C@@H]3C2)n1,479.5570000000003
Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12,278.29
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C,882.0349999999996
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC,395.4590000000002
O=P(O)(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,260.135
O=c1[nH]c(=O)n([C@H]2C[C@H](F)[C@@H](CO)O2)cc1Cl,264.64
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,267.328
C/C=C1\[C@H]2C=C(C)C[C@@]1(N)c1ccc(=O)[nH]c1C2,242.322
CC[C@H](C)[C@H](N)C(=O)O,131.175
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,418.5740000000002
COC(=O)c1cc(OC)c2c(c1-c1c(CO)cc(OC)c3c1OCO3)OCO2,390.3440000000002
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,280.4519999999999
CC(C)(CO)[C@@H](O)C(=O)NCCCO,205.254
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1,372.4170000000001
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,494.0130000000003
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,391.2940000000001
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,350.462
NCc1ccc(S(N)(=O)=O)cc1,186.236
O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1,253.71
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,521.0500000000003
Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1,408.45800000000025
Cc1cccc(C)c1NC(=O)C1CCCCN1C,246.354
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,285.343
O=c1ccc2ccccc2o1,146.14499999999998
COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,483.96000000000015
Sc1ncnc2[nH]ncc12,152.18200000000002
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,339.4350000000001
CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,372.4460000000001
NCCS(=O)(=O)O,125.14899999999996
COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12,587.0760000000002
O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,191.139
CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C,285.43100000000004
C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1,196.202
OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1,372.39200000000005
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,440.6060000000003
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,508.6450000000003
N=C(N)NS(=O)(=O)c1ccc(N)cc1,214.25
CC(N)Cc1ccc2c(c1)OCO2,179.21899999999997
[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,467.84930533400006
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,418.44600000000014
CC(=O)Nc1ccc(O)cc1,151.165
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,228.247
C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N,398.55400000000014
CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)C1CO,367.40100000000007
CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,337.4190000000001
CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(CO)CO,458.92100000000016
Cn1ncc(-c2nc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)c1CC1CC1,360.8930000000002
CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1,533.6120000000002
CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O,381.33400000000006
CN1CCCC1=O,99.133
CCc1cc(C(N)=S)ccn1,166.24900000000002
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,338.03799999999995
C[N+](C)(C)CCOC[18F],135.192938
C[C@H](N)C(=O)N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21,355.37600000000003
COc1ccc2cc(CCC(C)=O)ccc2c1,228.291
CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12,397.431
S=P(N1CC1)(N1CC1)N1CC1,189.224
OCc1ccccc1,108.13999999999996
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,224.26
C#CCN(C)Cc1ccccc1,159.232
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,616.7560000000003
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,338.77200000000005
O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12,324.38000000000005
C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=NOCCN)CC[C@@]43C)[C@@H]1CCC2=O,360.49800000000016
CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,556.863
O=C1CCO1,72.063
CN(C)CCc1c[nH]c2cccc(O)c12,204.273
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,384.4360000000002
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,238.024
O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,250.2
COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC,358.4780000000001
C[C@](N)(Cc1ccc(O)cc1)C(=O)O,195.218
Cc1cccc(C)c1OCC(C)N,179.26299999999998
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C,519.4480000000002
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,469.6690000000001
Cc1ccc(O)c(-n2nc3ccccc3n2)c1,225.25100000000003
CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,292.213
N[C@H](CO)C(=O)O,105.093
COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C,479.55200000000025
O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O,278.216
OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,374.91200000000015
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O,339.39900000000006
CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,319.407
CN(C)CCC(c1ccccc1)c1ccccn1,240.35
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,434.50400000000025
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,396.57100000000025
Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,293.725
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,414.4690000000002
Cc1ccccc1,92.141
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,406.482
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,269.35200000000003
CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC,600.478
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,202.553
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,395.43400000000014
ClC(Cl)Cl,119.378
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,720.9620000000001
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,374.9080000000002
CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,351.45000000000016
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC,297.3140000000001
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1,302.37
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O,294.336
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](/C(N)=N/O[C@@H](C)c3nnc(-c4ccccn4)s3)C(=O)O[C@@]21C,859.0559999999998
NC(=O)[C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O,529.9260000000003
CN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1,416.3880000000001
CC[C@@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21,382.4600000000002
COc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3OC2)cc1,471.59700000000026
CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,386.444
Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1,349.3690000000001
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,471.5610000000002
N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O,489.36700000000025
C[C@@H](C(N)=O)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1,274.368
COCCOc1cc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1,531.6490000000003
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,461.5580000000003
Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F,433.4300000000001
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,372.53600000000006
Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2,498.5860000000002
N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2cnn3Cc2n[nH]c3ncccc23)c1,435.2740000000001
Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21,386.8010000000001
CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O,288.2799999999999
C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC,729.9079999999999
Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1,437.50300000000016
COC(=O)C[C@@]1(CN)C[C@@H]2CC[C@@H]2C1,197.278
NC(=O)c1nc(F)cnc1O,157.10399999999998
Cc1cc(Cc2c(C)nn(CCC(=O)O)c2C)c2c(c1O)CCC2,328.41200000000015
CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1,546.7160000000001
C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1,240.267
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1,383.4670000000001
Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2,468.5290000000005
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2,378.4280000000001
CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,167.296
CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,203.24499999999995
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,810.9889999999998
Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,391.432
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O,330.46800000000013
CCCCC1(CC)C(=O)NC(=O)NC1=O,212.249
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NC3CCN(C4CCCC4)CC3)sc2c1,756.0039999999997
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,318.354
CC(C)c1cccc(C(C)C)c1O,178.27499999999995
Cc1cn[nH]c1,82.106
OCCOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,422.95200000000006
CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1,269.304
Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)c(C(F)F)n1,435.4280000000001
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,299.3700000000001
[C],12.011
C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1,420.5280000000002
CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1,422.5770000000002
N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O,342.2850000000001
CC(C)(C)NCC(O)COc1cccc2c1SCCC2,295.4480000000001
CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC,370.4300000000001
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,627.9420000000002
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,423.4480000000002
CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1,348.49000000000007
CCc1cccc2c1c(O)c(C(=O)N(CC)c1ccccc1)c(=O)n2C,350.41800000000006
CC(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1,221.308
Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12,397.405
CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1,467.65400000000017
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,346.4670000000001
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1,414.4650000000001
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,307.39
Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1,455.4100000000001
NC[C@@H](F)C[PH](=O)O,141.082
C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1,460.4270000000002
Cn1cnc([N+](=O)[O-])c1C[N+](C)(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1,601.8729999999999
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,473.4460000000002
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O,267.241
CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,504.7810000000004
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO,577.5830000000001
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3F)C(=O)N(Cc3cccc(N4CC(N5CCN(CC)CC5)C4)n3)C[C@@H]2N1C(=O)NCc1ccccc1,725.87
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12,323.39300000000003
COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1,303.833
COc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1,408.4540000000003
CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC,498.9230000000003
COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21,444.5360000000003
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(I)cc1)C(=O)O)C(=O)O,564.3330000000002
CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,510.4290000000002
NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,546.201
C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21,464.4440000000002
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,471.5210000000002
CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,446.4330000000001
CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1,448.5560000000001
Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,403.53000000000014
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2,443.46000000000015
O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1,587.9110000000001
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O,358.4780000000001
CC[C@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21,382.4600000000002
CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O,302.374
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N,404.4700000000001
O=C(O)c1ccc(/C=C/S(=O)(=O)Cc2ccc(Cl)cc2)cc1,336.79599999999994
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O,587.5490000000003
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,412.4290000000002
O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,315.41299999999995
Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12,324.35400000000004
CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl,605.0980000000002
Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1,517.0690000000003
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,399.4430000000002
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,336.39500000000004
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,505.69900000000047
O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,881.1199999999998
CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,372.4720000000001
Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,291.73400000000004
O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1,332.4070000000001
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,328.4960000000001
COC(=O)C(c1ccccc1)C1CCCCN1,233.31099999999995
CCN(CC)C(=O)c1cccc(C)c1,191.274
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,380.662
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1,529.7860000000004
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,354.31100000000004
IC(I)I,393.731
CN1CCCC(=C(c2cccs2)c2cccs2)C1,275.44200000000006
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,325.77400000000006
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,293.374
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,733.9370000000002
CC(C)Cc1ccc(C(C)C(=O)O)cc1,206.285
O=C(O)CC1CC(c2ccccc2)=NO1,205.213
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,305.341
CCN(CC)CCNC(=O)c1ccc(N)cc1,235.331
CN1CCN2c3ncccc3Cc3ccccc3C2C1,265.36
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,375.87100000000015
CCCCC1OC(=O)c2ccccc21,190.242
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C,396.6590000000001
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,610.5210000000004
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,250.28300000000004
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,378.1080000000002
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,417.5060000000003
O=C(O)c1ccccc1O,138.122
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,284.443
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12,497.6390000000002
CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1,492.58300000000025
CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,835.1679999999999
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,331.41300000000007
COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1,455.6030000000002
Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C,311.36300000000006
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1,363.5020000000002
O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1,530.6610000000004
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,577.7220000000002
C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O,318.37300000000005
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,492.5910000000001
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,463.3180000000001
Cc1cnc(C[S@@+]([O-])c2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1,429.5420000000004
COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1,397.4560000000001
CO[C@]1(C(=O)N[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1,692.9790000000005
C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,389.3330000000001
COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC,450.56100000000015
CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,790.0010000000001
CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,459.5710000000001
N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1,474.6080000000002
CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,535.5630000000002
CCCCOc1ccc(OCCCN2CCOCC2)cc1,293.4069999999999
CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1,309.369
N=C(N)NCCN1CCCCCCC1,198.314
COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,357.353
COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)c(F)c1,458.3680000000001
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,558.5170000000002
CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,552.546
CCC(C)(C)C(=O)O,116.15999999999995
COc1c(N2C[C@@H](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12,371.4370000000001
CCN(CCCc1ccccc1)CCCc1ccccc1,281.443
C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1,629.549
[N]=O,30.006
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,822.9530000000003
CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,471.54600000000016
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O,731.8439999999999
COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1,315.35400000000004
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,521.4370000000004
N=C1NC(=O)N2CC12,111.104
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,300.44200000000006
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,275.22
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12,360.45000000000016
Cc1c(-c2cnccn2)ssc1=S,226.351
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,315.482
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,335.4730000000001
NCCCC(N)(C(=O)O)C(F)F,182.17
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,538.5840000000003
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,416.5140000000002
CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,313.39700000000005
OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1,425.5070000000002
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,370.4890000000002
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,303.32200000000006
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,348.39900000000017
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1,279.189
CCN(CC)C(=O)c1cccnc1,178.235
CN[C@]1(c2ccccc2Cl)CCCCC1=O,237.7299999999999
COc1cc(CCN)cc(OC)c1OC,211.261
O=C(O)C(Cl)(Cl)Cl,163.387
CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1,370.43000000000006
CC1CCC(C(C)C)C(O)C1,156.26899999999998
CCCC[C@H](N)C(=O)O,131.175
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,405.4240000000001
C/C(=N\O)C(C)NCC(C)(C)CNC(C)/C(C)=N/O,272.393
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,324.4240000000001
NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F,386.414
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1,428.44300000000015
Cc1cccc(C)c1NC(=O)CN1CCCC1=O,246.31
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1,319.246
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1,498.6560000000002
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,182.172
[MgH2],26.321
CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1,451.4830000000002
O=C(Oc1ccccc1C(=O)O)c1ccccc1O,258.229
Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,259.265
OCCCc1ccc(O)c(O)c1,168.19199999999998
CC(C)OP(=O)(F)OC(C)C,184.147
CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1,305.42100000000005
C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O,416.6460000000002
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,156.269
NC(=O)c1cccnc1,122.12699999999997
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,373.44900000000007
N#N,28.014
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,223.296
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,296.153
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,308.77200000000005
CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1,316.485
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,273.719
C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO,277.284
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,578.6620000000004
CSCC[C@H](N)C(=O)O,149.215
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C,317.385
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C,637.5140000000002
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,497.5000000000002
c1ccc2c(CC3=NCCN3)cccc2c1,210.28000000000003
CCCCCCc1ccc(O)cc1O,194.274
Cn1ccnc1S,114.173
NCc1cc(O)no1,114.10399999999998
O=C(c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1,526.5900000000001
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,364.52900000000017
CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,281.311
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,449.924
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,351.353
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,284.359
O=C1c2ccccc2C(=O)C1c1ccc(F)cc1,240.233
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,343.21700000000004
COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,380.8710000000001
O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,388.8950000000002
N[C@@H](CS)C(=O)O,121.16099999999996
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,499.71400000000034
CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,302.374
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,488.5770000000002
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1,289.4189999999999
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12,478.8850000000002
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,402.5310000000002
CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,496.6330000000002
O=C(O)c1c[nH]cn1,112.088
CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1,445.5490000000003
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1,764.7969999999995
CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,294.442
Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1,248.198
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1,695.9040000000003
CO[C@@]1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21,414.4610000000001
O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1ccc(-c2nnn[nH]2)cc1,333.315
Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1,418.5410000000001
CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2,403.9060000000002
CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,389.44800000000015
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn([11CH3])c2Sc2ccc(Cl)cn2)cc1,411.9464336
CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,389.39900000000006
O=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1,296.32199999999995
CC1(C)CC(C)(C)CC(C)(N)C1,169.31199999999998
Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1,574.4970000000003
O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1,527.615
O=[Se](=O)(O)O,144.97199999999998
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O,440.6680000000003
CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12,394.5230000000002
C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,603.5230000000003
N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)C(=O)O,358.3070000000001
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C,509.0030000000002
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,561.7270000000001
CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,370.43000000000006
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(C(F)(F)F)cc4Cl)oc23)[C@@H]1CO,469.8430000000001
Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2,414.1450000000003
O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,385.4670000000001
O=C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2c1OC1(CCS(=O)(=O)CC1)O2,510.29800000000034
CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O,254.329
O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1,472.5070000000002
Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1,514.9860000000003
Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)s2)cc1,464.56800000000015
C#Cc1cnc2nc(O)n(C(CC)CC)c2n1,230.271
N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F,468.41
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1,489.6260000000002
CN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn(C)cn1,376.8630000000001
COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1,629.6890000000001
CN1CCN(C(=O)OC2C3=C(SCCS3)C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1,477.9990000000002
CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1,542.628
C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,278.4190000000001
CN(C)C(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccsc1,327.40900000000005
Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1,380.35800000000006
O=C1c2c(O)c(=O)ccn2N([C@@H]2c3ccccc3SCc3c2ccc(F)c3F)[C@@H]2COCCN12,483.49600000000027
N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCN)cc1,515.5780000000004
COc1c(N2CCC/C(=C(\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,419.42800000000017
CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N,324.40000000000003
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO,608.5600000000002
O=C1c2ccccc2C(=O)C1c1ccccc1,222.243
C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC,513.5540000000003
O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1,308.12000000000006
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,785.1089999999998
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1,366.5090000000001
Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,491.4510000000001
Cn1ccc2c([C@H](Nc3cc(Cl)c4ncc(C#N)c(NCC(C)(C)C)c4c3)c3cn(C45CC(C4)C5)nn3)cccc2c1=O,593.1350000000003
CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2,428.5290000000002
CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1,458.6460000000002
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O,413.2830000000001
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1,450.3230000000001
Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1,463.5160000000003
CN(C)CCCN1c2ccccc2Sc2cccnc21,285.41600000000005
OB1OCc2cc(Cl)ccc21,168.388
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO,402.4470000000001
CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O,390.5200000000002
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1,314.36
NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2,318.3920000000001
COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2,464.3660000000002
CCCN(c1ccncc1F)n1cc(C)c2ccccc21,283.35
CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1,399.344
CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1,422.5250000000002
CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2,398.4350000000001
Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1,390.41800000000006
O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1,600.5400000000002
CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,508.5270000000002
Cc1cc(C)c(-c2ccc(NC(=O)[C@H](Cc3ccc(C(=O)NCCS(=O)(=O)O)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)c(C)c1,702.9170000000001
Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1,535.5230000000003
O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1,238.159
C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCN1CCOCC1,561.0420000000001
C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F,580.8300000000002
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1,358.41900000000004
O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1,410.8080000000001
N[C@]1(C(=O)O)C[C@@H](F)C1,133.122
N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,398.3940000000002
CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1,323.4220000000001
CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,350.4220000000002
C=C(C#N)C(=O)OCCCC,153.18099999999998
c1cncnc1,80.08999999999999
COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1,569.6360000000001
CCCCC[C@@H](O)/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O,376.49300000000017
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,281.23299999999995
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1,472.4020000000002
CC(/C=N/NC(=N)N)=N\NC(=N)N,184.207
CN(CC(=O)O)C(=N)NP(=O)(O)O,211.114
CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,312.406
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,392.58000000000015
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,507.6930000000003
COc1ccc2[nH]cc(CCNC(C)=O)c2c1,232.283
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,495.7450000000004
C=CC(N)CCC(=O)O,129.159
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,277.195
C#CCO[C@H]1CN2CCC1CC2,165.236
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,406.5450000000001
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1,347.861
OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,344.3130000000001
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,255.32400000000004
Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1,451.5500000000004
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O,530.6580000000004
CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCC(O)CC2)CC1,441.5930000000004
CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,321.33700000000016
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,361.3730000000001
CC1OC(C)OC(C)O1,132.159
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,582.657
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1,449.8450000000002
O=C(Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1,273.244
CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,559.6770000000002
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,858.3399999999998
NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1,296.374
CCC1(c2ccccc2)CCC(=O)NC1=O,217.26799999999992
Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1,495.8700000000002
CC(C)(CS(=O)(=O)O)N(Cl)Cl,222.093
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,483.5190000000002
Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1,545.5430000000002
COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,740.2570000000002
Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,391.34900000000016
CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1,407.4580000000001
CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1,358.44393800000006
COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C,493.58500000000026
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O,777.8869999999998
CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C,530.6770000000004
C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1,562.7190000000003
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1,441.46300000000025
NC(=O)N(C(=O)c1ccccc1)c1ccccc1,240.26200000000003
NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1,198.138
N=C(N)N1CCc2ccccc2C1,175.235
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,445.5450000000002
CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1,327.42400000000004
CC(N)C(O)c1ccccc1,151.20899999999995
CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21,477.58400000000046
CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,881.992
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCCCCn1c(nc3cc(OC)ccc3c1=O)O2)C(=O)NS(=O)(=O)C1(C)CC1,837.0090000000002
Cc1cc(=O)oc2cc(O)ccc12,176.171
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12,562.5130000000001
Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1,631.7369999999997
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,560.6490000000001
Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1,471.5420000000002
COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](OP(=O)(O)O)C1CC1,548.9410000000001
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO,453.5390000000002
N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1,311.63700000000006
CCCCCCCCCCCCCC[N+](C)(C)C,256.49799999999993
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1,437.55200000000025
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2[18F])c(=O)[nH]c1=O,259.223938
CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4,407.42600000000016
COC[C@H](C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)Nc2cnc(C)cn2)c1,478.5090000000002
CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,360.4740000000001
CN(C)CCCN1c2ccccc2Sc2ccccc21,284.42800000000005
CCCCCCCC(C(=O)c1ccccc1)N1CCCC1,287.4470000000001
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,510.8280000000005
C[C@H](OC(N)=O)[C@@H](O)c1ccccc1Cl,229.663
O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12,440.18900000000014
Nc1ccn([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)c(=O)n1,257.221
CC(C)C[C@H](CN)CC(=O)O,159.229
COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O,480.94900000000047
CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C,354.9250000000002
CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1,617.7680000000003
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1,573.5700000000003
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1,532.5560000000003
CN[C@H](C)CCC=C(C)C,141.25799999999998
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OCOP(=O)(O)O,470.4110000000002
Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12,451.5310000000002
COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1,425.48900000000026
O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O,572.6360000000004
CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F,460.326
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,416.5180000000003
O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],329.2300000000001
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,361.4420000000001
O=C1c2c(O)cccc2Cc2cccc(O)c21,226.231
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,379.8910000000002
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,369.4690000000002
Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F,440.76500000000016
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1,434.47100000000034
Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,628.6330000000004
CCC[C@@H](C)C[C@H](CN)CC(=O)O,187.283
CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(Cl)cc4-c4ccccc4)C(F)(F)F)nc(N)n3)CC2)CN1,590.0459999999997
Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,444.52400000000017
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1,434.5480000000002
COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O,363.39700000000016
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1,482.5280000000003
C[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C,185.267
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,343.898
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,435.8890000000002
O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12,542.5770000000001
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,407.4770000000002
CCCCCC1(CCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1,388.6360000000002
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1OP(=O)(O)O,365.2530000000001
C[C@H](CCC(=O)N([11CH3])CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,478.6584336000004
C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,479.6580000000004
CNc1ccc(/C=C/C=C/c2nc3ccc(OCC(O)C[18F])cc3s2)cn1,384.4669380000001
CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O,361.39400000000006
N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1,354.28700000000003
CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl,446.9090000000001
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F,383.347
CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,395.4420000000002
N=C(N)NCC1COC2(CCCCC2)O1,213.28099999999992
CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1,307.353
CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21,300.833
CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21,438.47400000000016
OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1,287.4470000000001
O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12,420.1940000000001
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,208.261
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1,271.32
CN(C)CCO,89.13799999999999
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,314.46900000000005
CC(C)(C)NCC(O)c1cc(O)cc(O)c1,225.288
NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,290.366
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,352.42500000000007
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,316.4270000000002
CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,813.9790000000003
C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,777.0880000000001
CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,359.665
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,628.7180000000004
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,543.5250000000003
c1cc[nH]c1,67.091
O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,316.158
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,504.5950000000003
O=C(CCCCCCC(=O)Nc1cccnc1)NO,265.31300000000005
COC(=O)c1ccccc1O,152.14899999999997
CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,368.51400000000007
CC(C)C(=O)OC[C@H]1O[C@@H](n2cc/c(=N\O)[nH]c2=O)[C@H](O)[C@@H]1O,329.309
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1,413.1730000000002
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,362.2780000000001
Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,358.40200000000004
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3,518.5700000000004
CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,276.42400000000004
C[C@@H](O)C(=O)O,90.078
N[C@@H](Cc1cc([131I])c(Oc2ccc(O)c([131I])c2)c([131I])c1)C(=O)O,662.9823738000001
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O,809.5729999999999
CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1,496.8980000000001
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O,334.4560000000001
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1,521.5400000000003
O=C(O)c1cccnc1,123.11099999999998
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,536.8880000000004
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,383.51700000000017
CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO,301.515
NC12CC3CC(CC(C3)C1)C2,151.253
CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl,416.8650000000002
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,267.245
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,287.35900000000004
O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,366.84400000000016
O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1,317.344
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,372.55300000000017
CCCCCCCCCCCCCCCCCCCCCCO,326.60900000000004
Oc1ncnc2[nH]ncc12,136.114
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O,400.6470000000002
CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,360.2440000000001
CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3,287.35900000000004
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,378.4280000000001
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,328.413
NCCNC1CCC(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1,389.2610000000002
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,434.5040000000002
CC(C)Cn1cnc2c(N)nc3cccnc3c21,241.298
NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,324.315
COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1,339.40700000000004
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,330.3640000000001
CC1=CC(=O)NS(=O)(=O)O1,163.154
Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2,291.8030000000001
CC(C)C(=O)c1c(C(C)C)nn2ccccc12,230.311
c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1,328.41900000000004
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2,401.88700000000017
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],346.33900000000006
O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O,409.25700000000006
CN1Cc2c(N)cccc2C(c2ccccc2)C1,238.334
Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,244.38199999999995
N[C@@H](CO)C(=O)O,105.093
Cc1ccc(C(C)C)c(O)c1,150.221
CCCOC(=O)Cn1cc(I)c(=O)c(I)c1,447.0100000000001
II,253.808
NC(=O)OCC(O)COc1ccc(Cl)cc1,245.662
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1,367.4460000000001
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,244.265
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,357.793
Nc1nc2[nH]cnc2c(=O)[nH]1,151.129
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1,424.3910000000001
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,266.30400000000003
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,439.4710000000002
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,302.458
CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,359.47400000000016
C=CCN=C=S,99.158
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,388.8150000000001
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,224.216
CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,536.8880000000003
COc1ccc2cccc(CCNC(C)=O)c2c1,243.30599999999995
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,305.29
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,328.4120000000001
Oc1nc(O)c2cn[nH]c2n1,152.113
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1,542.0360000000002
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,416.58300000000025
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,230.676
OCC(O)CO,92.094
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,207.226
CN1C(=O)CC(c2ccccc2)C1=O,189.214
CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,318.569
COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2,354.4100000000001
NCC(=O)O,75.067
Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C,282.295
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1,456.5720000000002
Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,253.262
CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,528.9510000000001
CC(O)CO,76.095
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1,400.5290000000001
CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C,354.4900000000001
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,321.163
COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1,346.4120000000001
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,265.338
COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1,463.58200000000016
CC1=CC(=O)c2ccccc2C1=O,172.18299999999996
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1,592.7620000000001
OCc1ccc(Cl)cc1Cl,177.03
Cc1ncc([N+](=O)[O-])n1CC(O)CCl,219.628
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,392.4060000000002
CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,367.51200000000034
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,260.3809999999999
C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,300.296
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,414.52700000000016
CCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(Cl)cc(C#N)c2)c(C)c1,574.4420000000001
Oc1cccc(O)c1,110.11199999999998
CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,388.8150000000001
Cc1cc(O)cc(C)c1Cl,156.61199999999997
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C,618.8270000000002
CCCN[C@@H]1CCc2nc(N)sc2C1,211.334
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,518.5620000000004
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,275.348
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,405.4320000000001
O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,693.7320000000003
C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1,394.4790000000002
Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl,244.125
N#CN=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1,371.872
C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1,534.4910000000002
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,305.16400000000004
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,163.173
CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1,372.454
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,289.158
CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,350.4580000000001
CNC1(C)C2CCC(C2)C1(C)C,167.296
Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1,371.368
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,401.41800000000006
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,380.53900000000016
COc1cc(CO)ccc1O,154.165
OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,344.313
CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,494.5310000000002
OC[C@@H](O)CN1CCN(c2ccccc2)CC1,236.31500000000003
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,441.4600000000003
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,748.9960000000001
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,339.3660000000001
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1,360.504712446
C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F,523.4380000000001
O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1,510.0650000000001
O=C(Nc1ccccc1)C1CCN(C(=O)Oc2cccnc2)CC1,325.36800000000005
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N\O)cc1)C1CCCCC1,473.5740000000003
Nc1nc(=O)n(C2CSC(CO)O2)cc1F,247.251
CC(C)[C@H](N)C(=O)OCCCC(=O)O,203.238
Cn1cc(Nc2nccc(-c3ccc4c(c3)CN(C3COC3)CC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1,542.6480000000003
N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,303.4060000000001
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,306.276
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,331.35300000000007
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,288.43500000000006
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,408.9220000000002
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1,381.44000000000017
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,295.408
CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,284.252
Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,272.696
OCCN(CCO)CCO,149.19
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,427.5260000000002
COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC,484.6370000000003
Cc1cc(C)cc(OCC2CNC(=O)O2)c1,221.256
COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,305.418
O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,440.9500000000002
Cc1ccc(C(C)C)cc1O,150.221
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,273.741
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,494.5750000000004
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC,501.5140000000002
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,287.4060000000001
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,393.4430000000002
CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,464.4440000000001
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,456.45800000000014
O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,282.29900000000004
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1,244.265
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,243.219
Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,335.3410000000001
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,314.4980000000001
CC(NN)c1ccccc1,136.19799999999998
C=CCc1ccc(O)c(OC)c1,164.20399999999995
C[C@@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21,334.83200000000005
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1,340.46300000000014
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,206.285
NC(=O)NS(=O)(=O)c1ccc(N)cc1,215.234
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1,363.3730000000001
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,385.4850000000002
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,408.878
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,337.38200000000006
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,424.4970000000002
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,275.352
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O,616.8360000000001
NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,431.9480000000001
C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,584.6730000000005
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,339.4830000000001
CC(C)NNC(=O)c1ccncc1,179.223
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,378.44000000000017
Nc1ccc2cc3ccc(N)cc3nc2c1,209.252
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,485.9470000000004
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,446.5000000000003
CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C,391.5620000000001
COC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H](C)C1=O,390.5640000000002
CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1,471.3630000000001
Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(/C=C4\CCN([C@@H]5CCNC5)C4=O)CS[C@H]23)ns1,534.5800000000003
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,327.4240000000001
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,553.524
NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,383.455
O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2Cl)O1,374.8270000000001
CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,392.49900000000014
NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21,431.4210000000001
O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1,388.59800000000007
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,522.5620000000004
Cc1cc(N2C(=O)NC(=O)C2(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O,635.6650000000005
O=C1C=CN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)CC1,408.3360000000002
CC(CCCCCCCCCCCCc1ccc(I)cc1)CC(=O)O,458.4240000000001
C#CC(O)(/C=C/Cl)CC,144.60099999999997
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC,517.4640000000002
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,548.0690000000001
COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,388.46400000000017
CC[C@@]1(OC(=O)C(C)ON=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,850.7099999999997
O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1,279.344
C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(CCO)CC5)c(F)c4F)nc23)c1,530.5790000000004
COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,466.5670000000003
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C,459.90900000000033
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,790.3070000000004
Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1,369.3680000000001
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)N[C@@H](C(N)=O)C(C)C)CO2,424.5380000000002
CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12,340.4310000000001
C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,385.48400000000015
CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1,513.9170000000001
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,376.417
NC(N)=Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1,477.4350000000001
COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1,436.5120000000002
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,318.3930000000001
C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=N)N2CCOCC2)on1,394.4500000000002
COc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,601.6029999999997
C[C@@H](C1CC1)N1Cc2cc(-c3cc(C(=O)N(C)C)no3)cc(Cl)c2C1=O,373.84000000000015
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,240.303
C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,555.5340000000002
Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1,447.52000000000015
CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,465.5280000000002
O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,393.4400000000002
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C#N)c3)CC2)CC1,398.55100000000016
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,475.6290000000003
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,495.6390000000002
O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21,406.4170000000002
Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1,392.55100000000016
N[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O,333.3440000000001
C[C@@H](O)c1nnc([C@H]2C[C@H](NC(=O)c3cc(-c4ccccc4)no3)C2)o1,354.3660000000001
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,409.5300000000002
CCCCOc1cccc(CCNCC(=O)N(C)C)c1,278.396
CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O,420.6340000000002
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O,869.8359999999997
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,284.3590000000001
Cc1ccc(S(=O)(=O)NO)o1,177.181
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1,509.6700000000004
CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F],273.322938
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,379.5010000000002
Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1,245.113
CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],327.465
CNC(C)(C)Cc1ccccc1,163.264
CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2ccc(-c3cnc(C)nc3)cc12,602.4930000000002
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1,318.5250000000002
CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O,282.252
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,350.4550000000001
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,472.44600000000025
CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,588.7130000000002
COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C,449.5910000000002
COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1,343.4230000000002
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,366.5490000000002
CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1,412.53700000000026
Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1,495.6270000000003
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(C)=O)COC(=O)CCCCCCCCCCCCCCC,634.9829999999998
Nc1ncc2ncn(CC3(OCP(=O)(O)O)CC3)c2n1,299.2270000000001
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O,454.5040000000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1,393.3550000000001
O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-],507.6240000000003
CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21,330.4530000000001
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O,398.49900000000014
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,868.457
Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1,415.338
Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F,292.31
CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1O,805.9690000000005
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1,623.6420000000004
CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,316.426
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,375.48800000000006
O=[Se](O)O,128.97299999999998
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,466.97700000000026
Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,238.29
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,307.32800000000003
O=O,31.998
CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C,309.40600000000006
CNC(C)Cc1ccccc1OC,179.26299999999998
NCCNCCNCCN,146.238
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1,241.254
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,373.4600000000001
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,354.454
CC1=CCC2CC1C2(C)C,136.238
CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,312.4170000000001
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,239.315
COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21,359.706
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,385.5120000000001
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,300.8330000000001
COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1,437.5840000000002
O=C(OOC(=O)c1ccccc1)c1ccccc1,242.23
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,364.441
CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,531.4399999999999
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,654.6059999999999
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,280.309
C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,268.273
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,348.43900000000014
C=CC(=O)N[C@H]1C=C(C)c2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1,396.4540000000002
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,373.8840000000002
COc1ccccc1OCC(O)COC(N)=O,241.243
CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1,523.4580000000004
COCCCOc1cccc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OCC4)c1C,400.50000000000017
Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,488.7530000000005
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(=N)N)cc4)c3Cl)c2n1,711.672
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O,843.0649999999999
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,398.419
O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1,430.5520000000001
CCCCOCCOC(=O)c1cccnc1,223.272
CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NCc1ccccc1,500.5170000000002
COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4,761.8500000000001
Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O,466.5340000000004
CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N,366.42100000000016
CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12,420.5250000000002
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O,361.034
CCN(CC)C(C)C(=O)c1ccccc1,205.301
COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,451.91400000000016
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1,538.6640000000003
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,812.0179999999997
C[C@H]1C=C(c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)CN1,407.5170000000001
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,487.5390000000002
CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1,516.0710000000001
O=C(c1ccc2nonc2c1)N1CCOCC1,233.22699999999995
Clc1ccc2c(NCCCN3CCC(NC(c4ccccn4)c4ccccn4)CC3)ccnc2c1,487.05100000000016
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,361.3730000000001
CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cc(F)ccc2F)OC1,482.56400000000025
Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2,506.6580000000003
COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O,441.53400000000016
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1,554.7220000000002
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc([123I])cc1)C(=O)O)C(=O)O,560.3345890000002
C[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C(N)=O,407.37700000000007
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,302.34900000000005
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1,412.9460000000001
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,372.4610000000002
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,364.42300000000006
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1,426.9520000000003
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1,476.47400000000016
Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1,418.50100000000015
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1,453.45800000000014
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1,539.6960000000003
C[11C](=O)O,59.05243360000001
C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,691.0350000000002
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,452.51800000000014
Cc1cc(Cl)cc2c1N(Cc1cccc(C(F)(F)F)c1)C(=O)C21NC(=O)NC1=O,423.7780000000001
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,386.6640000000002
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,406.907
Cc1cnc(NC2CCOCC2)nc1-n1cnc(C(=O)N[C@H](CN)c2cc(F)cc(Cl)c2)c1,473.94000000000017
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,470.4610000000003
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1,425.4000000000004
NC(=O)c1cnccn1,123.11499999999998
[S],32.067
CNC(=O)CC1=Cc2nn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(c23)SC1,425.5180000000002
C/N=C(\N)N(C)C(=N)N,129.167
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,649.0160000000004
c1cnc2c(c1)CNC2,120.155
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1,342.4210000000001
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1,519.5740000000002
Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,327.46800000000013
CCOCC,74.123
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,301.342
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,378.5160000000001
COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,310.393
COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC,500.5950000000004
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,242.702
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,476.8700000000002
O=C(O)CCCc1ccccc1,164.204
O[Al](O)O,78.003
Cn1cnc2c1c(=O)[nH]c(=O)n2C,180.167
Nc1ccncc1N,109.132
O=C(O)CO,76.051
CCCC(C(=O)c1ccc(C)cc1)N1CCCC1,245.366
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21,425.4930000000002
COc1c2ccoc2cc2oc(=O)ccc12,216.19199999999995
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12,530.5640000000002
O=C(O)O,62.02400000000001
O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1,391.742
C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,804.0310000000001
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,321.16300000000007
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1,279.321
O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1,373.4560000000002
Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)Nc5c(C)cccc5F)sc4-c4ccccc43)cc2)c1,715.8510000000003
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)N1CCCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,799.9909999999998
Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21,279.343
COc1cc2c(cc1OCCC[18F])CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21,364.49193800000006
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1,494.5920000000003
O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3,367.8320000000003
Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C,462.59400000000034
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,401.4440000000001
Oc1cc(CNC(=S)/C=C/c2ccc(O)c(O)c2Br)cc(O)c1O,412.2610000000001
CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1,562.7190000000003
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1,542.5350000000001
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O,447.9660000000002
Clc1cccc(C(c2ccc3[nH]cnc3c2)n2ccnc2)c1,308.77200000000005
O=c1[nH]ccc2cc(OC3CCNCC3)ccc12,244.29399999999995
CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21,253.32700000000003
CC(C)(C)c1ccc(CCC(O)COc2ccc(C(=O)O)cc2)cc1,342.435
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1,448.88500000000016
CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C,406.4900000000002
C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1,483.05200000000025
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,324.39900000000006
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,444.5750000000002
CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1,388.4930000000003
c1ccc2c(c1)OCC(C1=NCCN1)O2,204.229
CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1,489.65500000000026
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O,332.35200000000003
O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12,369.424
COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,301.3860000000001
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,265.247
COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)NC1=O,439.4680000000001
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C1,489.6780000000003
CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O,278.30400000000003
CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,416.5220000000003
C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F,544.5820000000003
CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,452.5980000000001
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2ccccn12,532.5700000000002
CNC(C)C(=O)c1ccc2c(c1)OCO2,207.229
[2H][C@@](N)(CO)C(=O)O,106.099101778
COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCCC2)CC1,574.154
C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,332.4840000000001
O=C1[C@H](C/C=C(\CO)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,421.4430000000001
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,442.4450000000002
O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1,455.4400000000001
CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,255.789
CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O,348.4270000000001
C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC,315.3770000000001
CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,437.51700000000017
CCC(CC)CNC(=O)Cn1cccc(NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)c2cncn2C)c1=O,528.6100000000004
CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cn1,327.359
Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12,638.817
O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1,381.42800000000005
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1,450.9300000000001
O=C(NCCS)c1cccc(C(=O)NCCS)c1,284.406
OC[C@H]1O[C@@H](c2cc(Cc3cc4cccccc-4c3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O,396.4390000000001
CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1,461.6240000000004
Cc1nc2cc(C(=O)N(C)C)cc(O[C@H]3CCOc4cc(F)cc(F)c43)c2[nH]1,387.386
Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C,498.5620000000003
O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2,512.5450000000005
COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F,561.5110000000003
CCC1(CC)C(=O)NC(=O)N(C)C1=O,198.222
Cc1ccc(C(=O)Oc2ccc(C(CN(C)C)C3(O)CCCCC3)cc2)cc1,381.51600000000025
C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,429.52400000000017
O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,365.5220000000001
C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,418.4570000000002
CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1,532.5270000000003
CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1,429.5280000000003
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,816.943
Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1,502.4930000000004
CC(C)(O)c1nc2ccc(Cl)cc2cc1N,236.702
CCC(C)C1(CC)C(=O)NC(=O)NC1=O,212.249
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,418.50500000000017
CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1,519.5720000000002
CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1,505.5570000000002
Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O,402.50100000000015
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,484.6630000000002
CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1,464.826
[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC,439.46530533400016
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,403.6750000000001
COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2,659.2710000000001
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1,452.5590000000003
COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,452.46300000000025
OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O,182.147
Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N,321.3440000000001
O=C(O)c1cccc(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)c4ccccc4)CC3)C2=O)c1,517.6700000000004
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21,309.333
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1,491.6940000000004
Cn1c(=O)c2c(ncn2C)n(C)c1=O,194.194
C=C1C[C@H]2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1,556.6190000000003
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,401.4290000000001
Cc1nnnn1N=Cc1ccc(O)c(C(c2ccc(O)cc2)c2cc(C=Nn3nnnc3C)ccc2O)c1,510.5180000000002
CC(=O)Nc1nnc(S(N)(=O)=O)s1,222.251
O=[Al]O[Al]=O,101.961
CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,613.9150000000002
CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@@H](C)[C@@H]1OC(=O)C(C)C,422.4420000000002
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,331.8680000000001
OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,378.899
CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1,285.38400000000007
O=P(O)(O)C(Cl)(Cl)P(=O)(O)O,244.891
C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1,348.3970000000001
CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1,453.5620000000004
CC(C)CNC(=O)[C@H]1C[C@@](F)(c2ccc(CN3CCCC3)c(F)c2)C1,350.45300000000015
CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1,456.5680000000002
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COc1ccc2cc([C@H](C)C(=O)OCCS(C)(=O)=O)ccc2c1,336.409
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,427.5450000000002
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,303.141
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,388.3740000000002
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2,154.253
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,291.438
CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,294.31
Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,245.366
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,272.37
CC(C)(C(=O)c1cccnc1)c1cccnc1,226.279
Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1,348.7730000000001
CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,572.75
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1,515.5290000000001
O=C(O)CCCC(=O)NCCc1c[nH]cn1,225.248
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,430.946
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,267.245
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O,576.7270000000004
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,284.74600000000004
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,322.47700000000015
CC(C)(N)Cc1ccc(Cl)cc1,183.682
Nc1ccc(C(=O)NCC(=O)O)cc1,194.19000000000003
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,318.32800000000003
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,408.88200000000006
CC(C)[C@H](N)C(=O)O,117.14799999999998
CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,320.3920000000001
C[S+](C)[O-],78.136
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,416.9450000000003
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,327.33600000000007
CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)O,641.8100000000001
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,461.4710000000002
C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,411.3120000000002
CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,570.9340000000001
FS(F)(F)(F)(F)F,146.055
NC(=O)CC[C@H](N)C(=O)O,146.14600000000002
CN(C)CCC=C1c2ccccc2COc2ccccc21,279.383
Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1,460.5420000000003
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,344.2530000000001
CCOC1(c2ccc(-c3cc4c(N5CCN(C(=O)O[C@@H]6CCOC6)CC5)ccnn4c3)nc2)CCN(C(C)C)CC1,562.7150000000001
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F,426.41600000000005
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,410.4240000000001
C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@@H](C)N1,561.445
C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2,587.7140000000002
COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5,709.7180000000002
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,459.47400000000016
CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12,380.374
O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12,542.5430000000002
Clc1ccccc1CN1CCc2sccc2C1,263.793
Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1,341.40700000000004
CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1,476.5480000000002
CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1,389.4590000000002
N#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1,555.6100000000004
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21,469.4100000000001
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,230.263
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,563.6250000000002
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,355.8690000000001
C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O,344.7540000000001
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,491.6260000000002
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O,389.4110000000002
[Zn+2],65.39
CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,399.6290000000001
O=C(O)CC(O)(CC(=O)O)C(=O)O,192.123
CC(C)(C)OC(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2,434.51200000000017
CCC1(c2cccc(O)c2)CCCCN(C)C1,233.3549999999999
Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,393.5120000000002
C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,405.35700000000014
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,291.438
C[C@H](N)[C@H](O)c1ccc(O)c(O)c1,183.207
C[C@]1(C(=O)O)CSC(c2ccc(O)cc2O)=N1,253.279
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,421.4220000000001
COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O,571.5580000000001
CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO,309.271
COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(C(F)(F)F)nc2s1,432.8020000000001
CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,485.4040000000003
C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N,245.366
O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)c(F)cc2c1=O,585.5600000000003
Cc1sc[n+](CC(=O)c2ccccc2)c1C,232.328
CCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)C(CC)CC)c2OB1O,391.22900000000016
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,501.66700000000014
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O,357.38900000000007
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,456.3480000000002
[11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1,354.43843360000005
COc1ccc(S(=O)(=O)NCc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1,459.6120000000004
O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I,807.114
CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O,300.3620000000001
CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,402.5310000000003
c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1,502.7960000000004
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,266.34099999999995
CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1,317.517
CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,332.464
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,329.3710000000001
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,527.6690000000006
c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2,343.3790000000001
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,664.8110000000003
CC(=O)OC1CN2CCC1CC2,169.224
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,447.5330000000002
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2,540.1370000000004
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2,534.6600000000003
Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1F,227.195
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,333.36300000000006
NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-],252.186
CS(=O)(=O)F,98.098
C[C@H]1[C@H](c2ccccc2)OCCN1C,191.274
Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,238.203
Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,366.4280000000001
CCCCNc1ccc(C(=O)OCCN(C)C)cc1,264.3689999999999
CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1,532.1280000000002
C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,391.4270000000003
C#Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)n2)cc(C(=O)NCCOCCOCCOC)c1,839.9719999999998
COc1cc(F)ccc1Cn1ccc2c3c(ncc21)C(=O)N(O)CC3,341.3420000000001
CC(=O)N1CCC2(CC1)c1cc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc1-c1ccc(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc12,649.6930000000004
C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,500.483
C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(o2)COC/1,462.5500000000002
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1,646.6520000000003
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1,514.5890000000003
CCNC(C)Cc1cccc(C(F)(F)F)c1,231.261
Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1,398.375
COc1ccc2c(c1)[nH]c1c(C)nccc12,212.252
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,313.401
CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C,835.944
CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC,499.6450000000005
N=C(N)NCc1ccc(OCCC[18F])c(Br)c1,303.1659379999999
Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1,363.37700000000007
Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2O)cc1,409.4860000000001
NC(=O)Nc1cc(C#Cc2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1,386.4520000000002
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,492.68900000000025
COC(=O)c1ccc(OC(=O)CCCCCCC(=O)NO)cc1,323.3449999999999
CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1,597.7600000000002
CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1,684.7000000000002
N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl,242.666
C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CC)C[C@H]1O,344.5390000000001
[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@@]21C)C([2H])([2H])[2H],406.6836106680003
COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC,425.5220000000003
CCN(CC)CCc1nc(-c2ccccc2)no1,245.326
O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1,527.4000000000002
CC(C)COC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)OCC(C)C,734.8390000000002
CC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O,241.331
CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1,438.6150000000002
C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC,364.4610000000001
COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,410.426
[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,262.277938
Nc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1,281.279
CCN(CC)C(=S)SC(=S)N(CC)CC,264.485
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)c1ccccc1O,490.6880000000003
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1,386.56100000000015
N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nn3)CC2)cc1Cl,812.3029999999997
CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1,407.4300000000002
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1,442.4910000000002
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,231.29900000000004
CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1,574.7470000000001
O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1,310.353
COc1ccc2cc([C@H](C)C(=O)OCCCCO[N+](=O)[O-])ccc2c1,347.367
CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,549.7029999999999
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,273.33600000000007
Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(O)O)oc2ccccc12,485.43300000000016
CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1,451.3790000000001
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1,408.34900000000016
CN1CCCC1c1cccnc1,162.236
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2,500.9580000000005
CC(C)N1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1,474.61300000000045
O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1,415.3710000000002
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1,507.39700000000033
C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@@H]1CCSS1)C(=O)O,406.5260000000001
CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,363.5220000000001
O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O,388.4020000000001
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,360.366
CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,382.8910000000001
CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,414.5490000000002
CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,568.5420000000003
NC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1,872.8769999999998
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1,401.40500000000014
CC(=O)Nc1cc([As](=O)(O)O)ccc1O,275.092
C=C(C#N)C(=O)OC,111.09999999999998
FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1,338.71600000000007
FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1,468.4790000000002
CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2,351.4220000000002
CNc1ccc(-c2nc3ccc(O)cc3s2)cc1,256.33000000000004
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)O,374.56500000000017
CCOCCOC(=O)/C=C/c1ccc(OC)cc1,250.294
CN1C(=O)C(C)(C)Oc2c(-c3cn(C)c(=O)c4[nH]ccc34)cc(S(C)(=O)=O)cc21,415.4710000000002
O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O,422.4440000000002
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4,384.4250000000002
O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F,449.2600000000001
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,303.358
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,341.4070000000001
C[N+](C)(C)CC(O)CC(=O)[O-],161.20099999999996
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,398.48200000000014
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,433.59200000000016
NCC1(CC(=O)O)CCCCC1,171.23999999999992
c1cnc2cc3c(cc2n1)C1CNCC3C1,211.268
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,309.34300000000013
CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1,415.5740000000001
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,268.273
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1,427.5640000000002
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,289.37500000000006
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,583.5960000000005
CC(=O)OCC(COC(C)=O)OC(C)=O,218.205
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,445.43600000000015
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,430.5410000000002
C#Cc1c[nH]c(=O)[nH]c1=O,136.11
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1,356.41800000000006
[C-]#[O+],28.01
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,272.253
CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(CC)CC4)ccc32)c1F,569.6820000000004
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,369.4870000000002
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,412.6140000000003
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,254.285
NC(=O)NCCC[C@H](N)C(=O)O,175.188
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1,363.50500000000017
C=O,30.026
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,279.8550000000001
CNC[C@H](O)c1ccc(O)c(O)c1,183.207
O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,320.253
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,300.44200000000006
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,226.232
CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,478.5130000000003
CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,777.0880000000001
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21,386.5760000000002
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,312.4530000000001
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,415.82900000000006
CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,238.247
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1,328.19900000000007
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,470.6130000000003
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,309.4340000000001
CC(C)(C(N)=O)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)CC1,682.533
O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,388.8950000000002
Cc1ccc(S(N)(=O)=O)cc1,171.22100000000003
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,780.9490000000002
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,428.6100000000004
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,337.46300000000014
CN1CCC[C@H]1CCNC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2,604.6860000000003
CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2,549.469
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,233.31099999999995
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O,255.2259999999999
CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1,491.5630000000002
Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,328.4080000000001
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O,369.343
C[Se]C[C@H](N)C(=O)O,182.081
CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1,534.6070000000001
COC(=O)/C=C/C(=O)O,130.099
C#CC1(OC(N)=O)CCCCC1,167.20799999999997
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C,362.45200000000006
Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl,427.3320000000001
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,554.592
Cl[Ra]Cl,296.90599999999995
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1,546.6860000000004
CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC,401.4480000000001
O=P(O)(O)CP(=O)(O)O,176.001
COc1cc(NC(C)CCCN)c2ncccc2c1,259.35299999999995
CCC[C@@H](C)C[C@H](N)CC(=O)O,173.256
Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1,526.6770000000005
N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1,477.89100000000025
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)C,448.5950000000002
CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)O)[C@@H]1C(N)=O,277.25800000000004
N[C@@H](Cc1cc(O)c(O)cc1[18F])C(=O)O,214.18293799999995
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12,457.4770000000003
c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3,216.2839999999999
COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4,784.8880000000001
CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O,522.5950000000003
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1,358.41700000000003
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1,307.419
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1,424.52200000000016
CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21,500.9300000000001
N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,416.3590000000001
C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,378.5530000000002
COC(=O)c1cccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1,452.59500000000014
OB1OCc2cc(F)ccc21,151.933
COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(N)=O,411.3080000000001
CC[N+](C)(C)C(C)CC(c1ccccc1)c1ccccc1,282.451
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F,452.8240000000001
CCCCCCOC(=O)CCC(=O)CN,215.29299999999995
C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1,543.3330000000002
C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1,503.3860000000003
CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21,416.60600000000017
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,406.50800000000027
CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,203.238
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C,630.831
Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O,288.30300000000005
CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1,599.7500000000002
CCOCCP(CCOCC)CCP(CCOCC)CCOCC,382.4620000000002
N[C@@H](Cc1c[nH]cn1)C(=O)O,155.15699999999998
CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,276.37600000000003
CC(C)OC(=O)OC1CCCCC1,186.25099999999992
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,492.5280000000001
Cl[Al](Cl)Cl,133.341
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1,404.5390000000001
NCC(CC(=O)O)c1ccc(Cl)cc1,213.664
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,317.4290000000001
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12,420.5130000000002
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1,616.9300000000003
[CaH2],42.094
CCCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C,445.5200000000002
CS(=O)(=O)N1CCC(c2ccc(-c3ncc4nccnc4c3NC[C@@H]3CNCCO3)cc2)CC1,482.6100000000004
Nc1nc(=O)c2ncn([C@@H]3O[C@@H]4CO[P@@](=O)(S)O[C@H]5[C@H](F)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5CO[P@@](=O)(S)O[C@@H]3[C@@H]4F)c2[nH]1,710.5350000000003
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,434.50400000000025
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,567.6160000000001
C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,394.31500000000005
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21,351.4460000000001
Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,369.3680000000001
Oc1nc(O)c2nc(O)[nH]c2n1,168.112
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,259.136
O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1,354.189
O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,404.4910000000001
C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,356.44200000000023
CC1CCCCC1(c1cccs1)N1CCCCC1,263.45
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,425.9200000000001
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,314.46900000000005
CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,561.5470000000001
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,265.36
COc1ccccc1O,124.13899999999995
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,414.41000000000025
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,373.95300000000015
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,217.29
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,479.5330000000002
CC(O)C(=O)O,90.078
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O,645.6800000000003
Nc1n[n+]([O-])c2ccccc2[n+]1[O-],178.15099999999998
CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1,461.9900000000002
Clc1cccc(Cl)c1NC1=NCCN1,230.098
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,384.259
CC1NCCOC1c1ccccc1,177.247
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,239.746
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,242.231
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,288.03099999999995
COc1cc2c(cc1-c1c(C)noc1C)cc(C)c(=O)n2Cc1ccccn1,375.42800000000005
COC1CN([C@H]2CC[C@H]([C@@]3(C)Oc4c(Cl)cc(C(=O)NCc5c(SC)cc(C)[nH]c5=O)c(C)c4O3)CC2)C1,562.1320000000001
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1,622.067
COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1,381.44000000000017
CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(NC(C)=O)c3C2=O)ccc1OC,466.5370000000002
CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(F)c1,458.4650000000003
O=C(Nc1ccc(F)c(-c2ccn3c(N4CCOCC4)cnc3n2)c1)N1CCCC1,410.45300000000026
CC(C)CCN[C@@H]1CCc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2C1,385.46100000000007
Cc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC(C)(C)C,368.49600000000015
O=C(O)CNC(=O)c1ccccc1I,305.071
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,326.83100000000013
Cc1cc(=O)n(-c2ccccc2)n1C,188.23
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO,180.156
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,524.6910000000001
NN,32.046
Cc1ccc(-c2ccc(OC3CN4CCC3CC4)cn2)cc1,294.398
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,403.9790000000002
CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S+]([O-])C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12,477.6260000000002
CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1,418.9680000000002
CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1,272.31600000000003
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,364.3570000000001
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,318.8730000000001
CC(C)(C)[N+]([O-])=Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O,337.37500000000006
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,301.386
CCCOC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1,353.462
CNc1ccc(/C=C/C=C/c2nc3ccc(OCC(O)CF)cc3s2)cn1,385.46400000000006
CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F,581.5420000000004
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1=CCN(C2CCOCC2)CC1,640.2499999999999
Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12,456.90200000000016
CCP(=S)(Oc1ccc([N+](=O)[O-])cc1Cl)OC(C)C,323.73800000000006
O=C(O)/C=C\c1c[nH]cn1,138.12599999999998
CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1,632.8820000000002
C[S+](CCC(N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,398.4450000000001
O=C(O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1,457.5950000000002
O=C(O)C1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1,368.8200000000001
C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1,276.3359999999999
CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,366.4640000000001
c1ccc(-c2nnc(O[C@@H]3C4CC5C[C@H]3CN(C5)C4)s2)cc1,313.426
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl,465.9380000000001
CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,326.4400000000001
C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1,244.298
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,429.1340000000001
COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1,256.301
CCN(C)C(C)C(O)c1ccccc1,193.29
Cc1ccc(-c2ccc(C)cn2)nc1,184.242
N[C@@H](Cc1cc(O)c(O)cc1F)C(=O)O,215.17999999999995
Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1,431.50000000000017
COc1ccccc1OCC(O)CO,198.218
CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1,324.461
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,444.44000000000017
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,194.183
CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,338.44400000000013
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,334.33200000000005
Nc1nc2c(ncn2COCCO)c(=O)[nH]1,225.208
CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2,391.8260000000001
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O,492.4820000000003
CCOC(=O)C(C)=O,116.116
CN[C@@H](C)Cc1ccccc1,149.237
Cc1ncc(CO)c(CN)c1O,168.19599999999997
COC(=O)c1cccnc1,137.138
COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12,406.44600000000014
COc1nc(-c2cccc(-c3cccc(-c4cnc(CNC[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)cnc1CNC[C@@H]1CCC(=O)N1,691.6199999999999
CCCO[C@H]1CC[C@H](N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCCCC2)CC1,455.6460000000004
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,228.208
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1,313.309
FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccncc3)nn12,374.3540000000001
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2,526.6450000000002
N[C@@H](CN(O)N=O)C(=O)O,149.106
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,306.49
CCCCCc1ccc(C)cc1O,178.27499999999998
CCCc1cc(C(N)=S)ccn1,180.276
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,354.48700000000014
COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CCO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,528.5580000000003
Cc1cccc(C)c1CNc1cc(C(=O)NCCOC(=O)CCCC(=O)O)cn2c(C)c(C)nc12,480.56500000000034
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)c4c3[C@@H]3CC[C@H]4C3)cc2)[nH]1)C(C)C,855.0529999999999
C[C@@]12C=CC[C@H]1[C@@H]1CCC3=C[C@@H](O)CC[C@]3(C)[C@H]1CC2,272.4320000000001
Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)nn2)cn1,409.4460000000002
COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC2(C(=O)O)CCC2)CC1,386.53600000000034
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O,406.4900000000001
Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O,460.49600000000027
Cn1/c(=N\C#N)n(-c2ccc(C(C)(C)C#N)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21,527.5140000000002
O=C1COc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,450.366
Cc1c(C=Cc2cc(CNC(C)(CO)C(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2,527.5390000000002
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O,405.45100000000025
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,606.7820000000003
O=C(O)c1cncc(F)c1,141.101
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,441.5240000000002
CCCCOC(=O)c1ccc(N)cc1,193.246
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,430.3790000000001
CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O,392.49900000000014
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,351.0160000000001
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O,358.547
O=C(O)/C=C/c1ccc(O)c(O)c1,180.159
CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,232.283
OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,390.388
FC(F)OC(Cl)C(F)(F)F,184.491
COc1cccc(C2(O)CC(O)CCC2CN(C)C)c1,279.37999999999994
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,284.74600000000004
Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1,240.281
CN1CCC[C@H]1c1cccnc1,162.236
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,442.47500000000014
O=[Mg],40.304
CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21,335.1900000000001
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1,391.5550000000002
CCCCCCCCCCCCCCCC(=O)NCCO,299.499
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,382.5290000000001
OO,34.014
COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,505.50600000000014
CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC,397.51500000000016
CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,295.338
Cc1cnc(C(=O)O)c[n+]1[O-],154.12499999999997
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,298.42600000000004
[18FH],19.008938
Cc1ncc(COP(=O)(O)O)c(C=O)c1O,247.143
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,570.7670000000003
NCCCC(=O)O,103.12099999999998
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,228.078
C=C,28.053999999999995
COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,385.3760000000001
O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,403.21200000000016
CCCCCCCC(=O)O,144.214
COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,383.41100000000006
CCC1(c2c[nH]cn2)Cc2ccccc2C1,212.296
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1,359.41800000000006
c1cncc(C2CCCN2)c1,148.209
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,268.268
CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C,245.33
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,428.6570000000003
C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,270.21
CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1,356.8090000000001
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,293.37000000000006
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,670.855
CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,337.35100000000006
CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,476.58500000000026
CN(CC(=O)O)C(=N)N,131.13499999999996
Nc1cc(-c2ccncc2)c[nH]c1=O,187.202
NCCc1c[nH]c2ccc(O)cc12,176.21899999999997
c1ccc([C@H]2CN3CCSC3=N2)cc1,204.298
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,477.58000000000015
CN1C(=O)CC[C@H]1c1cccnc1,176.21900000000002
Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,266.25699999999995
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1,328.4120000000001
O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1,254.29
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,464.37900000000025
CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,277.408
CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,474.56500000000034
COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1,632.6639999999998
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,354.1890000000001
COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1,270.284
CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I,597.9600000000002
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,400.6030000000003
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,446.9100000000004
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,545.6290000000004
C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,287.21599999999995
C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1,375.4360000000001
CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1,618.6280000000002
O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1,862.9220000000004
COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-],233.22800000000004
CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,531.4399999999999
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12,396.4950000000003
O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1,554.4890000000003
C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1,287.12500000000006
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O,581.7720000000003
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCOC(=O)CN(C)C)Cc1ccccc1-4)C(=O)NC3,525.6490000000003
CCNCC[C@H](O)CNCCCCNC[C@@H](O)CCNCC,318.5060000000001
NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,295.72900000000004
C[C@@H]1O[C@@H]1P(=O)(O)O,138.059
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,289.545
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,704.869
O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO,467.9570000000001
CCCn1cc(-n2c(Cl)c(Sc3cccc(C(=O)O)c3F)c3ccc(Cl)c(F)c32)cn1,482.33900000000017
O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)c([C@H]2CC[C@H](c3ccccc3)CC2)[nH]1,428.4540000000002
CC(C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO,326.35300000000007
O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1,478.43000000000006
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,461.3860000000001
COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1,675.7639999999999
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1,766.9180000000002
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,393.3490000000002
CN(C)CC1CCCCC1(O)c1cccc(O)c1,249.354
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,304.41
Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1,318.302
O=C(O)CN1C(=O)[C@@H](NC(=O)C2(C[C@@H](CCc3cccc4ccccc34)C(=O)O)CCCC2)CCc2ccccc21,556.6590000000003
Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21,239.271
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1,429.9520000000003
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,650.9760000000001
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1,580.759
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1,431.8010000000001
CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCC2,398.9380000000002
O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21,422.3960000000001
CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1,368.8200000000001
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br,349.137
N=C(N)N/N=C/c1c(Cl)cccc1Cl,231.086
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,307.41800000000006
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C,512.5600000000002
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,581.0690000000002
CC(C)NCC(O)c1cc(O)cc(O)c1,211.261
COCC(O)Cn1ccnc1[N+](=O)[O-],201.182
Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,323.4180000000001
O=C(O)c1cc(O)c(O)c(O)c1,170.11999999999998
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,278.337
CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1,266.29599999999994
O=P(O)(O)OP(=O)(O)O,177.973
CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,585.6580000000004
O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,254.28500000000005
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,387.47600000000006
Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1,517.408
NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12,519.5650000000003
Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,260.221
C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,421.5040000000002
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,296.201
NCCCCC(=O)O,117.14799999999998
O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,298.346
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F,262.193
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,290.271
C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,515.9630000000002
CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O,436.96100000000007
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,421.4530000000002
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,312.41300000000007
CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,324.39900000000006
O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1,314.257
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,219.237
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1,430.41100000000006
O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O,435.5680000000003
Cc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1,478.496
O=C1CC[C@H](N2C(=O)c3cccc(NCc4ccc(CN5CC(N6CCOCC6)C5)cc4F)c3C2=O)C(=O)N1,535.5760000000005
CC1=C(OCc2cccc(-c3ccccc3)c2Br)C=C(OCc2cccnc2)C(CN[C@@H](CO)C(=O)OC(C)C)C1,621.5720000000001
O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1,431.55800000000033
NCCCS(=O)(=O)O,139.176
CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1,440.59500000000014
OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,378.31600000000014
O=C(O)c1ccccc1Nc1ccccc1,213.236
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,369.41700000000014
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,608.5490000000002
COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1,624.8040000000002
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,268.216
CCN(CC)CCOC(=O)c1ccc(N)cc1,236.315
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,330.4680000000001
CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,585.6160000000002
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)O,346.4230000000002
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O,669.5620000000001
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,272.3879999999999
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,452.5950000000003
Cc1c(-c2cc(C(=O)O)c3c(O[C@H](C)C4CCOCC4)ccc(C)c3n2)oc2ccccc12,445.5150000000002
NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1,520.8920000000002
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,394.4580000000002
CC(=O)NC(CCC(=O)O)C(=O)O,189.167
CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1,696.9579999999999
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1,330.3910000000001
COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1,450.5970000000003
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,433.0390000000001
NS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1,468.54200000000014
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,258.4939999999999
Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1,462.4870000000002
CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21,569.7280000000001
C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1,491.3500000000003
CC[C@@H](C(N)=O)N1CCCC1=O,170.212
CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1,393.39
COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1,353.42600000000004
CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O,240.214
O=NO,47.013000000000005
CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21,308.425
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,539.6360000000004
Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2,363.223
CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1,409.9210000000002
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O,284.27200000000005
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12,473.49300000000034
COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1,463.5000000000003
CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1,473.58000000000015
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O,348.3770000000001
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,374.37400000000014
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,260.221
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,753.9409999999998
COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2,688.7410000000001
Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1,453.5720000000004
CNCCC=C1c2ccccc2CCc2ccccc21,263.384
Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1,512.6830000000002
CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1,461.6100000000002
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,388.85100000000017
CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,532.6490000000002
COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1,572.559
Fc1cc(-c2cccc(-c3nc[nH]n3)c2)cc(F)c1CNC1Cc2ccccc2C1,402.4480000000002
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,301.3940000000001
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O,311.297
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,822.9419999999996
Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1,612.6500000000003
NNCCc1ccccc1,136.19799999999998
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,318.5010000000001
CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,410.5830000000001
CS(=O)(=O)OCCCCOS(C)(=O)=O,246.306
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,344.49500000000006
O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,331.17600000000004
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,308.315
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,260.253
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,250.301
CCCCNCC(O)c1ccc(O)cc1,209.289
Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1,576.6270000000001
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O,544.7370000000002
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,821.1410000000001
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,211.221
NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1,295.358
CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1,312.369
C[N+](C)(C)C[C@H](O)CC(=O)[O-],161.20099999999996
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,287.36299999999994
CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,284.408
COc1ccc2[nH]cc(CCN(C)C)c2c1,218.29999999999995
NCCc1ccc(O)c(O)c1,153.18099999999998
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO,414.50500000000017
O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1,488.5520000000004
N,17.031
CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O,356.4700000000001
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21,459.57100000000014
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,468.3700000000002
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,229.631
Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12,228.21500000000003
N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,285.31
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,465.5500000000004
CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,276.21399999999994
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,286.23900000000003
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,414.5860000000002
NC(=O)NC(=O)Cc1ccccc1,178.191
O=C(O)C1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1,461.94600000000025
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,392.4670000000002
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,383.3760000000001
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,379.4350000000002
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,268.356
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,397.75800000000015
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,384.24500000000006
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,248.235
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,298.42600000000004
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,325.4339999999999
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,344.4950000000001
Oc1ncc(N(CCCl)CCCl)c(O)n1,252.101
Nc1nc(=O)[nH]cc1F,129.09399999999997
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,361.8250000000001
CC(C)NCC(O)c1ccc(O)c(O)c1,211.261
CCCc1cc(=O)[nH]c(=S)[nH]1,170.237
Cc1cc(F)c2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1,333.4070000000001
CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CSCC(=O)C(F)(F)F,386.523
C[C@@H]1COCCN1c1cc([C@@]2(O)C[C@@H]3CC[C@H](C2)O3)c2cnn(-c3cc[nH]n3)c2n1,410.47800000000007
CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,387.88600000000014
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,416.1350000000001
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1,236.202
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,296.153
CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,336.47900000000004
O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21,332.3110000000001
CC(C)OC(=O)[C@H](C)NP(=S)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1,543.5350000000002
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,610.5650000000002
CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,414.4830000000001
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,546.6230000000003
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2,606.6260000000002
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O,416.6460000000002
O=[N+]([O-])c1nccn1CC(O)CF,189.146
C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C)c3n2)C[C@H]1F,415.43300000000016
CC(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O,473.61700000000025
CCc1c2c(nc3ccc(OC(=O)N4CCC(CCn5ccc6cc(-n7c(-c8cc(C(C)C)c(O)cc8O)n[nH]c7=O)ccc65)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,879.9709999999997
CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1,447.4650000000001
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1,565.7100000000004
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC,755.987
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,641.0250000000002
COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1,441.4630000000002
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,574.056
Cn1ncc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)n1,589.575
N[C@@H](Cc1ccc(OCC[18F])cc1)C(=O)O,226.237938
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,443.63800000000026
Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,249.252
Cc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1,399.4940000000001
Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,348.42100000000005
O=C(O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccccc3C(F)(F)F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1,823.355
CCN(CC)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1,324.37700000000007
CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1,462.5540000000002
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC/C(=N\O)[C@](C)(CCCO)[C@H]3CC[C@@]21C,405.66700000000026
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O,396.3320000000001
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O,507.67200000000014
CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O,587.5080000000003
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,631.5980000000003
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1,627.6430000000001
OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1,432.5170000000005
C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,430.54100000000017
C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F)C(F)(F)F,442.319
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1,390.53200000000027
CC(C)(C)c1nc(N2CCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1,456.5380000000001
[2H]C([2H])([2H])C(c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)(C([2H])([2H])[2H])C([2H])([2H])[2H],401.55391600200016
C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1,234.38699999999992
O=c1cc(-c2ccccc2)oc2ccccc12,222.243
N[C@@H](CCC(=O)O)C(=O)O,147.13
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1,347.37800000000004
CCCCOc1c(OCCCC)c(=O)c1=O,226.272
CN1C2CC(OC(=O)C(O)(CO)c3ccccc3)CC1C1OC12,319.3570000000001
COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,412.5290000000003
COCCc1ccc(OCC(O)CNC(C)C)cc1,267.369
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,318.43700000000024
CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C,430.54400000000015
Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,457.4470000000002
C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,368.5240000000001
CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,432.5030000000002
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,362.4220000000001
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,518.421
CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1,615.4029999999999
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],236.136
C[N+](C)(C)CC(=O)O,118.15599999999998
Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)c(OCC(F)F)cc21,678.5300000000002
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O,244.222
CC(C)(C)OC(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2,446.5480000000002
CCN(CC)Cc1ccc(OCC[C@H]2CCC3C4C(CC[C@@]32C)c2ccc(O)cc2C[C@H]4C)c(OC)c1,505.74300000000034
NC1=NCC2c3ccccc3Cc3ccccc3N12,249.317
CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,371.82700000000006
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,343.471
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,347.2420000000001
NCCN,60.09999999999999
CC(Cl)(Cl)Cl,133.405
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1,356.227
CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,831.9119999999999
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,259.34899999999993
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,391.46700000000016
C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1,410.9200000000001
CC(=O)Nc1nc(F)c(CN2CC[C@H](OCc3noc(C)n3)C[C@@H]2C)s1,383.4490000000001
COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,299.37000000000006
N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,776.8720000000001
Cc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2,551.6940000000001
COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,286.20200000000006
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CCC23)C[C@@H](O)C[C@@H]1O,440.6680000000003
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1,490.52300000000014
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4,282.336
C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,312.4530000000001
Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12,535.7860000000002
C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O,321.42500000000007
CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3,392.5400000000002
COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC,500.47700000000015
CC1OC2(CS1)CN1CCC2CC1,199.319
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O,412.6580000000001
O[B-]1(O)OO[B-](O)(O)OO1,153.648
CCN1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1,391.5370000000004
C[C@@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO,475.5430000000001
CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O,385.4640000000002
Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1,328.41600000000005
CC(C)CCn1c(CN2C(=O)N(C3CC3)Cc3ccccc32)nc2cc(CN)ccc21,417.5570000000002
COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C,459.6080000000004
CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21,416.4720000000002
COCCN1CCCc2cc3c(c(C4CC4)c21)CCNCC3,300.446
CC(=O)N1CC(F)(F)c2c(Sc3ncc(N4CCC5(CC4)COC[C@H]5N)nc3N)cccc21,476.5530000000004
CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1,287.35900000000004
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,290.403
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O,370.4450000000001
C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1,288.4790000000001
C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccccc23)C1,351.3660000000001
N[C@@H](Cc1ccc(O)cc1)C(=O)O,181.191
C[n+]1cccc(C(N)=O)c1,137.162
CN1CC2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)C2C1,372.47200000000015
CCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1,506.43100000000015
Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1,566.7320000000002
O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,375.4720000000003
CCCCCCCCC=CCCCCCCC(O)C(=O)O,298.467
COc1cccc(C2(O)CCCCC2CN(C)C)c1,263.3809999999999
C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1,489.5380000000004
COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2,323.8240000000002
C[C@]12CCC3C(C(=O)C=C4C[C@@H](O)CC[C@@]43C)C1CCC2=O,302.41400000000004
CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1,285.77400000000006
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,467.6500000000003
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,436.52600000000007
CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC,436.4470000000001
CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1,353.4190000000001
O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1,444.5390000000002
CC(C)Cc1ccc(CC(=O)O)cc1,192.258
C#CCN(C)[C@H](C)Cc1ccccc1,187.286
OB(O)O,61.83300000000001
CC(N)C12CC3CC(CC(C3)C1)C2,179.30699999999996
CC(=O)N[C@@H](CS)C(=O)O,163.198
CN1C(=O)OC(C)(C)C1=O,143.142
C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,543.6150000000004
NCCCCCC(=O)O,131.175
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,310.43700000000007
CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(C)C)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O,861.0219999999999
COc1ccc(O)cc1,124.13899999999995
COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1,406.43400000000014
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,274.795
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,390.4670000000003
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,289.33900000000006
FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1,417.4200000000003
Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O,294.35800000000006
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,297.74500000000006
O=c1[nH]cc(F)c(=O)[nH]1,130.078
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,248.307
CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1,337.463
CCCC(C)(COC(N)=O)COC(N)=O,218.253
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,656.6620000000001
F[Ag],126.866
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,339.3910000000001
NCCC(O)(P(=O)(O)O)P(=O)(O)O,235.069
Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O,340.448
O=C(O)/C=C/C(=O)O,116.072
N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1,213.189
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,314.3620000000001
Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,319.4520000000001
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1,404.4200000000002
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,264.31
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,435.2850000000001
CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O,523.6300000000003
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,402.48700000000025
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,371.2750000000001
CNCCCC12CCC(c3ccccc31)c1ccccc12,277.41100000000006
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,340.4430000000001
C[S+]([O-])CCCCN=C=S,177.294
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,360.3850000000001
N=C(N)NCCC[C@H](N)C(=O)O,174.204
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,610.7110000000002
CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,259.3929999999999
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C,399.6630000000002
CCCCNC(=N)NC(=N)N,157.22099999999998
CC(C)(S)[C@@H](N)C(=O)O,149.215
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12,299.35200000000003
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,392.5800000000002
Cn1cnc2[nH]c(=O)[nH]c(=O)c21,166.14
F,20.006
CCOC(=O)c1ccc(N)cc1,165.19199999999998
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,295.298
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12,277.269
Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,485.5060000000001
O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,421.4680000000001
c1ccc2c(c1)ccc1ccccc12,178.23399999999998
CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12,404.34100000000007
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,232.239
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,280.32800000000003
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,240.214
COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,527.6430000000003
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,327.3800000000001
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,360.4500000000002
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,500.5790000000002
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O,835.086
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,382.89100000000025
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,634.7260000000003
N[C@@H]1CONC1=O,102.093
Cc1ncc(CO)c(C=O)c1O,167.164
Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,324.059
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O,288.43100000000004
COc1ccc(C(=O)c2ccccc2)c(O)c1,228.247
C[C@H](O)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1,237.219
O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,397.4060000000001
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C,331.4120000000001
O=C(O)CCCCC1CCSS1,206.332
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,314.411
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,370.3840000000001
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,296.41
O=C1CC[C@@H](C(=O)O)N1,129.11499999999998
NC(N)=O,60.056
CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO,406.479
O=c1c2ccccc2[se]n1-c1ccccc1,274.181
CCN=C=S,87.14699999999999
CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,438.4910000000002
NC(=O)N[C@@H](CCC(=O)O)C(=O)O,190.155
O=C(O)C(O)c1ccccc1,152.149
COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341,403.4780000000002
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,551.6250000000002
C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,495.5420000000002
CN(C)CCN(Cc1ccccc1)c1ccccn1,255.36500000000004
O=C(O)CC(O)C(=O)O,134.087
N[13C](N)=O,61.04835484
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1,562.7060000000004
CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](CC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@@]21C)C3(C)C,852.9269999999999
CCCC(=O)O,88.10599999999998
N[C@@H](CNC(=O)CC[C@@H](NC(=O)c1ccc(NCc2c[nH]c3ncnc(=O)c-3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O,730.7170000000002
O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,423.20500000000015
Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1,412.42200000000014
CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1,331.368
CNC(C)CCC=C(C)C,141.25799999999998
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,423.90400000000017
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(I)cc1)C(=O)O)C(=O)O,535.3350000000002
C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,433.63600000000025
CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12,393.39900000000017
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C,439.5780000000003
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,407.45300000000015
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12,293.346
O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O,360.753
[O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1,313.78500000000014
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,454.4470000000002
CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,289.744
CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,265.222
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O,416.6460000000002
CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O,490.55600000000015
CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@H]12,337.42300000000006
C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,483.5720000000004
CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,477.4430000000002
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1,441.4790000000001
CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O,378.46500000000015
CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21,504.65300000000025
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,408.88200000000006
O=c1[nH]cnc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c12,264.285
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,775.9740000000002
O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2,325.20600000000013
COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,271.404
CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C,281.44300000000004
CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1,503.6470000000002
CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1,380.41
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O,450.9480000000002
CCNCC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,329.4400000000002
CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2,642.5989999999997
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,411.5710000000001
NC(=O)OC[C@@H](O)c1ccccc1Cl,215.636
O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O,150.13
CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1,512.5110000000002
O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2,402.4250000000001
CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O,356.37900000000013
N[C@H](Cc1ccc(OCF)cc1)C(=O)O,213.208
COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1,555.4220000000001
COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2,418.57800000000026
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,285.343
C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,488.32700000000017
C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl,313.78100000000006
CCCc1c(-c2ccccc2)nn(-c2ccccn2)c1O,279.343
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC,663.4060000000002
O[C@H]([C@@H]1CO1)[C@@H](O)[C@H]1CO1,146.14199999999997
CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1,472.4750000000002
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccco3)O[C@]12C(=O)CF,428.50000000000017
CN1CCN2c3ccccc3Cc3ccccc3C2C1,264.372
Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1,541.5630000000003
CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,380.50600000000014
Clc1ccc(CCCOCCCN2CCCCC2)cc1,295.8539999999999
CNCCCC1c2ccccc2C=Cc2ccccc21,263.384
NCc1cc(Oc2cccc(C(=O)N3C[C@@H](O)[C@H](F)C3)c2)nc(C(F)(F)F)c1,399.3440000000001
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,767.5410000000002
CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F,328.38700000000006
COc1cccc(-c2nccc3[nH]c(=O)c(-c4noc(C)n4)cc23)c1,334.3350000000001
CCOC(=O)C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1,390.5000000000002
NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,291.307
Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21,441.2320000000002
Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C,515.5140000000004
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O,302.458
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1,506.6050000000003
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,425.5140000000002
CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C,329.39300000000003
O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1,268.023
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,369.4250000000001
N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1,457.55900000000014
Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C,454.74600000000027
COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1,386.5610000000003
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C[C@@H](O)C[C@@H]1O,428.7010000000002
C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1,431.8840000000001
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,337.379
CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1,300.789
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3,477.57200000000034
O=c1c(O)c(-c2ccc(O)c(OP(=O)(O)O)c2)oc2cc(O)cc(O)c12,382.2170000000001
COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)c1Cl,724.0369999999999
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F,476.5220000000003
CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)C[C@H]1CC,722.6049999999998
N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1,280.331
CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,388.87600000000015
CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F,274.32000000000005
COc1ccnc(C[S+]([O-])c2nc3cc(-n4cccc4)ccc3[nH]2)c1C,366.4460000000001
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,362.4660000000002
C[C@H]1C[C@H](C(=O)O)CC[C@H]1C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12,667.6150000000001
CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21,401.4700000000001
N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,334.3790000000001
CC(CNC1CCCCC1)OC(=O)c1ccccc1,261.365
O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1,434.92600000000016
CCOC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,328.2830000000001
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O,354.797
COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1,541.0330000000002
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O)cc2)cc1,501.5610000000004
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,365.397
Cc1nc[nH]c1CN1CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](Cc2ccccc2)C1=O,441.5320000000002
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1,491.6720000000004
N#CCC1CCN(c2nc(Nc3ccc(N4CCC(O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1,460.5420000000003
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,418.61800000000017
COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br,478.412
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,444.6590000000002
O=C1CCC(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)C(=O)N1,355.3500000000002
C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,280.331
COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,451.4830000000003
NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,401.96300000000025
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)N1CC(CCN3CCOCC3)C1)CO2,478.6300000000004
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,464.9420000000002
FC(F)(F)C(Cl)Br,197.381
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1,429.51300000000026
CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)OC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccccc2OC)OC)CC1,826.1089999999998
Cc1ncc([N+](=O)[O-])n1CC(C)O,185.183
NC(=O)N1c2ccccc2CC(=O)c2ccccc21,252.273
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,488.01700000000034
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F,528.537
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,280.309
Cn1c(=O)[nH]c2ncn(C)c2c1=O,180.167
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,424.5410000000002
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,310.8280000000001
COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,511.52100000000047
CCC(=O)O,74.079
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,461.5560000000001
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,368.4800000000001
CC,30.07
Oc1c(I)cc(Cl)c2cccnc12,305.502
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1,461.6680000000002
O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1,394.3430000000001
OCCO,62.068000000000005
Nc1[nH]cnc2ncnc1-2,135.13
NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1,390.4150000000001
NCCCC(O)(P(=O)(O)O)P(=O)(O)O,249.096
Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1,452.4130000000002
COC(=O)/C=C/C(=O)OC,144.12599999999998
C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1,244.265
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN,389.38700000000017
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,297.271
COC(F)(F)C(Cl)Cl,164.966
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,224.26
O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O,302.242
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,562.7150000000001
COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C,359.451
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,323.13199999999995
CCOC(=O)c1cncn1[C@H](C)c1ccccc1,244.294
CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,236.271
CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,286.415
Cc1ncc(CO)c(CO)c1O,169.18
N=C(N)NC(=N)NCCc1ccccc1,205.265
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1,464.59900000000016
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,211.217
O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,315.716
CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,705.6470000000002
CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,714.095
NCCc1cc[nH]n1,111.14799999999998
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21,295.386
CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,313.28800000000007
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,315.67799999999994
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,180.156
Cn1nnc2c(C(N)=O)ncn2c1=O,194.154
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,328.4340000000001
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12,258.273
O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,225.16
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,507.1820000000001
O=C(O)c1ccccc1,122.12299999999996
CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,260.314
CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,324.4020000000001
N=C(N)NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(=N)N)CC1,512.7080000000004
CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1,276.2920000000001
COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O,583.729
C(=C/c1cccs1)\c1cc[nH]n1,176.244
Cc1cc(C(=O)O)ccc1COc1cc2c(cc1N(CC(C)C)S(=O)(=O)c1nccs1)CCC2,500.6420000000003
O=C(O)c1cc(F)c2nc(N3[C@H]4CC[C@@H]3C[C@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,603.594
Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)([O-])O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,688.6060000000004
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,572.8750000000001
CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,309.45300000000003
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12,478.93600000000026
O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1,404.4910000000001
Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1,459.4950000000002
CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,343.8830000000001
CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21,454.5380000000001
Cc1cc([N+](=O)[O-])c(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1-c1cccnc1,413.4110000000001
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1,480.5720000000003
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1,377.51700000000005
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,462.4980000000002
Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3)cn([C@@H](C)c3ccccn3)c2c1,438.4870000000001
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,390.9580000000002
CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,500.4320000000001
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,256.092
OCCOc1ccccc1,138.16599999999997
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,441.54900000000015
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,337.41600000000005
COCCCC(=O)NCc1ccc(C(F)(F)F)cc1,275.27
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)C,441.4880000000003
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,405.45500000000015
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,453.8790000000002
CN(C)CCCN1c2ccccc2CCc2ccccc21,280.415
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,310.43700000000007
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,279.38
Oc1ccc2c(c1)C(Cc1c[nH]cn1)CC2,214.268
CC[N+](C)(C)Cc1ccccc1Br,243.168
O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1,327.3000000000001
Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1,422.7840000000001
CCN(CC)CCNC(=O)c1cc([131I])c(NC(=O)c2ccc(F)cc2)cc1OC,517.3531246000001
COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O,334.36800000000005
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,837.058
COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COP(=O)(O)O)cc12,552.5210000000003
Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,413.4810000000003
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2,460.5860000000002
COc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1,471.53400000000016
O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1,442.9110000000002
CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3,435.90400000000017
COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O,428.4270000000001
O=C(O)[C@H]1O[C@H]2O[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2Cc1ccccc1,353.3740000000001
O=P(O)(O)OP(=O)(O)OP(=O)(O)O,257.952
Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1,503.67200000000025
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O,375.3740000000001
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,437.4750000000001
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,392.5800000000002
CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1,359.3250000000001
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O,481.5460000000002
O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12,443.26500000000016
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1,239.271
COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1,499.52800000000025
CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1,307.39700000000005
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,432.45000000000016
CCN(CC)C(=O)COC(=O)/C=C/C(=O)OC,243.259
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CN2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1,455.5650000000001
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,381.69000000000005
CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,319.4490000000002
CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,340.492
Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21,218.25600000000003
CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1,419.5910000000002
COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C,355.39800000000014
CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1,522.2740000000002
CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1,687.5449999999997
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,314.37000000000006
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,454.5190000000002
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl,261.665
CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,752.999
CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,270.76
O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1,369.4400000000003
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO,219.281
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,270.354
Cn1c(CCCCCCC(=O)NO)nc2cc(N(CCCl)CCCl)ccc21,415.3650000000002
CC[C@@H](C)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O,503.64700000000033
CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1,519.6280000000004
CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C,532.5750000000002
O=C(O)CCCO,104.105
CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,221.209
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F,442.48100000000017
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,211.224
Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C,232.35200000000003
Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,513.6770000000002
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)cc1)[C@H]1CCc2cc3nc(CO)[nH]c(=O)c3cc21,647.6410000000002
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,339.4390000000002
CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1,272.73900000000003
CCC1(CC)C(=O)NCC(C)C1=O,183.251
N[C@@H](Cc1ccccn1)c1ccccc1,198.269
Cn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCC3)cc21,562.6700000000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C,433.50800000000015
COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2,507.5860000000002
Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-],449.0400000000001
CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1,360.429
CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21,457.5700000000003
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,246.354
CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1,454.01100000000014
CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(/C(N)=N\O)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,629.824
CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1,259.353
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1,514.4630000000001
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)n1,243.288
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,749.956
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N,528.6970000000001
Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1,420.345
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1,385.8540000000001
O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,236.274
O=C(CCCCCCCC(=O)NCCO)NCCO,274.361
C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1,375.346
C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1,367.4090000000001
Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1,445.47200000000026
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,333.13800000000003
CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21,414.54900000000015
Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,356.51
O=C1CSC(=O)N1,117.129
O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO,383.75300000000016
CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],269.16599999999994
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1,479.4800000000002
N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,650.9760000000001
CCCCP(=O)(O)CCCN,179.19999999999993
CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C,244.382
Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(C#N)cc3)n3ccccc23)sn1,400.463
COc1ccc2c(c1)N(C(=O)OC(C)C)[C@@H](CSC)C(=S)N2,340.47
CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1,256.34599999999995
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,520.3900000000002
O=C(Nc1nc(-c2ccc(O)c(O)c2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1,420.4460000000001
Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,445.5020000000002
COc1ccc(S(=O)(=O)N[C@@H](CNc2nc(C)nc(N3CCC(c4ccc5c(n4)NCCC5)CC3)c2C)C(=O)O)cc1,595.7260000000005
C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,666.9100000000002
O=C(/C=C(\O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2)o1,313.288
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)N(C(C)=O)c3ccccc32)cc1,443.45500000000015
CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12,378.491
COc1c(O)c(C)c(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC,585.745
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,416.1350000000001
[Ba],137.328
Cc1cccc([C@H](C)c2c[nH]cn2)c1C,200.28500000000005
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,422.5840000000002
Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,580.0880000000002
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,350.3960000000001
CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,409.4180000000001
CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1,498.4260000000003
O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1,449.5070000000002
CCC(C(=O)NC(N)=O)c1ccccc1,206.24500000000003
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O,454.69500000000033
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21,427.4600000000002
CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1,283.393
Cn1cc(C2=C(c3coc4ccc(F)cc34)C(=O)NC2=O)c2cc3c(cc21)OCO3,404.3530000000002
CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21,496.4740000000003
C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cc(C#N)cn1,409.5740000000002
CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,328.4320000000001
CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1,742.9240000000002
[K],39.098
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@+]([O-])C3)S[C@H]12,349.45500000000004
O=C(NCCN1CCCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12,462.5690000000003
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21,331.244
CCOP(=O)(OCC)SCC[N+](C)(C)C,256.328
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc(N)sc2C(=O)C(C)(C)C)o1,556.6220000000003
O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,641.3
CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1,265.36
COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N,426.3870000000001
Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13,672.2760000000002
NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1,438.239
NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1,278.71700000000004
Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21,420.4690000000002
O=P(O)(O)OCC(Cl)(Cl)Cl,229.383
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCOC(=O)[C@@H](N)C(C)C)Cn1cnc2c(=O)[nH]c(N)nc21,618.864
CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1,336.395
COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C(=O)O)cc2)n1,502.5710000000002
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC,537.1010000000006
C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1,424.5040000000002
CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl,604.9620000000002
COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1,676.6680000000005
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,248.71700000000004
C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O,164.15699999999998
COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1,475.3620000000003
c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2,228.339
C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,477.4810000000002
CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1,420.4850000000002
CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21,462.59000000000015
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1,313.397
N=C(N)NCc1cccc([18F])c1,166.18993799999998
O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1,409.91700000000014
COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,429.273
COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F,381.8160000000001
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12,475.52300000000025
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,465.5170000000001
FC(F)(F)C(F)(F)C(F)(F)F,188.017
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,357.4940000000002
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O,354.81500000000005
CCC1(C)CC(=O)NC1=O,141.17
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,314.86
CC(O)CC(=O)O,104.105
CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,317.42900000000014
C=C(C)[C@@H]1CC=C(CO)CC1,152.23699999999997
C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1,254.285
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,325.4120000000001
COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4C)oc3C)cc2)nc1,492.55300000000017
NCCOP(=O)(O)O,141.063
O=S(=O)(O)CCS,142.201
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,405.4950000000002
COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2,418.3540000000002
NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21,254.289
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,473.4460000000002
CC(C)(CO)C(O)C(=O)NCCCO,205.254
O=C(OCc1ccccc1)c1ccccc1,212.248
Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,416.6900000000003
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,386.53200000000027
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,258.23400000000004
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,441.40400000000017
CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1,374.4440000000001
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,458.5810000000002
COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,380.42200000000014
N=C(N)NCc1cccc(I)c1,275.093
CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,341.4330000000001
CC[C@@H](CO)NCCN[C@@H](CC)CO,204.314
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O,360.40600000000006
Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1,349.434
O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr,307.966
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,358.43400000000014
Cc1ccc(=O)n(-c2ccc(O)cc2)c1,201.225
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,232.23899999999995
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,324.4240000000001
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,374.4770000000001
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,356.44700000000006
C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O,246.194
C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1CCC1=CCOC1=O,480.5980000000004
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,341.4330000000001
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,266.34
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,369.5050000000003
CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,242.235
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,242.274
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,580.4660000000002
CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O,321.85200000000003
Oc1cc(O)c(Cl)cn1,145.54500000000002
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1,312.373
CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,288.43500000000006
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,532.5700000000002
CCN(Cc1ccccc1)c1ccc(/N=N/c2ccc(NC(=O)C[N+](CC)(CC)CC)cc2)cc1,472.6570000000003
Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,469.95200000000006
c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1,292.346
N[C@@H](CC(=O)O)C(=O)O,133.10299999999998
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,483.7150000000004
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1,674.7230000000001
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,405.9690000000001
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,352.4710000000001
COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2ncccn2)nc1OC,491.52900000000017
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,529.5260000000001
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,610.6710000000002
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,368.47400000000016
NC1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1,379.4850000000001
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,448.9500000000001
CCCCCCCCCCCCC(=O)O,214.349
On1ccccc1=S,127.168
CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12,261.36800000000005
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,316.48500000000007
C#CCN[C@@H]1CCc2ccccc21,171.243
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,226.276
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,513.6490000000003
NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O,325.372
Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,872.8940000000001
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1,323.342
Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12,480.96800000000025
c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1,395.4700000000001
NC(=O)NC1NC(=O)NC1=O,158.117
CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12,427.5450000000001
CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,399.41900000000015
Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1,229.261
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21,594.7190000000002
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O,392.5030000000001
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12,439.39300000000014
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,301.386
CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C,845.0229999999997
CCCCCCCCCCCCNCC(O)CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O,533.8020000000005
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,433.5010000000003
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1,555.5610000000005
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO,605.6370000000001
COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1,279.343
CC1(C)CCC2(CC1)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc21,618.5370000000001
CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O,248.156
c1cc(-c2nc3cc(-c4ccc5[nH]c(-c6ccncc6)nc5c4)ccc3[nH]2)ccn1,388.4340000000001
COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F,407.3770000000001
COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)nc(N)nc32)c1C,465.8340000000002
C[C@@]1(O)CCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21,471.5300000000003
COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,427.4640000000001
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CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1,364.4050000000001
C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2,310.36100000000005
CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,307.43700000000007
C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,262.309
CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C,639.8300000000002
O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1[C@@H]1CCOc2c(F)cccc21,420.3790000000002
C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,304.47400000000005
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,432.5570000000002
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,475.58300000000014
Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,370.478
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Nc1ccc(C(=O)O)cc1,137.138
NC(=S)N/N=C/c1ncccc1N,195.251
CC(C)c1cc2[nH]c(=O)n(NS(C)(=O)=O)c(=O)c2cc1-c1ccnn1C,377.4260000000001
[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,467.4623053340002
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1,445.4830000000002
CC(=O)OC(C)C[N+](C)(C)C,160.237
Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1,423.79700000000014
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O,317.7980000000001
O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21,457.49200000000025
Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1,564.6940000000003
CCCc1c(SCCCOc2ccc(C(C)=O)c(OCCCC(=O)O)c2CCC)ccc(C(C)=O)c1O,530.6830000000004
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C(COCCOCC1CO1)OCCOCC1CO1,262.3019999999999
[Ag+],107.868
COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F,361.242
CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1,290.4100000000001
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,440.4010000000001
CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12,351.38900000000007
CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1,258.3169999999999
CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1,310.357
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,484.1400000000001
O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O,435.52400000000006
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1,307.393
C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1,427.5040000000002
FC(F)(F)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,415.2420000000001
COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2CCCF,427.2905890000002
O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1,364.4890000000001
COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,505.6550000000003
C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O,416.6460000000003
Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1,410.4330000000001
O=c1nc(OCCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)[nH]cc1Cc1cncnc1,502.8800000000001
CCC[C@@H](N(NC(=O)c1cccc(OC)c1CC)C(=O)c1cc(C)cc(C)c1)C(C)(C)C,438.61200000000025
CC(C)NC[C@H](O)COc1cccc2ccccc12,259.34900000000005
CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C,363.41700000000014
O=Cc1c(O)cccc1OCc1ccc(C(=O)O)cc1,272.2559999999999
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O,806.9870000000003
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,290.38300000000004
CCCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CC5)ccc4OC(F)(F)F)cc3)cc2)CC1,644.7160000000003
CCCCCCCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(Cl)c(Cl)c3)[C@@](N)(C(=O)O)[C@@H]21,476.3720000000001
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2,666.785
CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,465.6380000000003
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,319.23100000000005
CC(CN(C)C)CN1c2ccccc2Sc2ccccc21,298.45500000000004
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1,380.4000000000001
CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1,691.862
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,284.352
Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,377.358
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,540.6420000000003
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,310.4370000000001
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,470.6910000000005
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,560.6930000000002
CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1,307.434
N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1,430.5960000000001
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,454.9660000000002
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,182.172
O=[N+]([O-])c1cncn1CCN1CCOCC1,226.236
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,480.64200000000034
COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13,368.4770000000002
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,426.4880000000001
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,426.8600000000003
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,734.0529999999993
NCC(=O)CCC(=O)O,131.131
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,409.4320000000001
CCCC(=O)OCOC(=O)C(C)(C)C,202.25
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,278.31200000000007
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,613.9150000000002
NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1,273.357
CCCCCCCC/C=C\CCCCCCCC(=O)O,282.4679999999999
C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,263.38499999999993
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,354.40200000000004
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,278.4359999999999
c1ccc2[nH]c(-c3cscn3)nc2c1,201.254
CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O,283.331
c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21,514.5520000000001
CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,627.7460000000003
O=C(CCCCCCC(=O)Nc1ccccc1)NO,264.32500000000005
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,333.4720000000001
COc1ccc2c(Oc3ccc4c(C(=O)Nc5ccccc5N)cccc4c3)ccnc2c1,435.4830000000001
Cc1ncsc1CCCl,161.65699999999998
c1cnccn1,80.09
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,347.46200000000016
N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,424.54400000000015
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,440.4630000000001
Cc1ncc([N+](=O)[O-])n1CCO,171.15599999999998
O=[N+]([O-])O,63.01200000000001
O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl,382.2510000000001
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,309.322
CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1,602.6750000000001
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,501.47700000000026
CC(=O)OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C,328.4960000000002
N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,179.17200000000005
CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,446.5840000000002
CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C,361.4900000000002
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,379.50000000000017
CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1,387.523
C[N+](C)(C)CCOP(=O)([O-])OCC(COC=O)OC=O,313.243
CC1CCC(NC(=O)N(CCCl)N=O)CC1,247.726
Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1,369.4280000000002
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O,268.273
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,376.4160000000001
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,265.362
CCCCCCCCC=CCCCCCCCC(=O)OCC1COP(=O)(O)C1,416.5390000000001
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1,421.30500000000006
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,373.4680000000001
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,270.372
CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,446.5110000000001
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,524.8740000000004
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,348.4280000000001
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,308.3330000000001
CCCC(CCC)C(=O)O,144.214
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O,516.7190000000004
COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,344.41100000000006
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,606.7190000000002
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O,668.5410000000005
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,300.442
NCCc1ccc(O)cc1,137.18199999999996
C1COC(NC(C2CC2)C2CC2)=N1,180.251
C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1,434.4960000000003
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O,283.113
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,560.6440000000002
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1,500.5540000000002
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,306.446
O=C(O)c1cc(=O)[nH]c(=O)[nH]1,156.097
C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,431.83
CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,658.8910000000001
Cc1sc(C(=O)c2cncnc2N[C@@H]2CC[C@H](COS(N)(=O)=O)[C@H]2O)cc1[C@@H]1NCCc2ccc(Cl)cc21,578.1160000000002
O=[Si](O)O[Si](O)(O)O[Si](=O)O,216.282
COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,368.3850000000001
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,697.7780000000002
OC[C@H](O)[C@@H](O)[C@H](O)CO,152.146
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,339.6120000000001
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,355.4340000000002
CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,470.6060000000003
CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12,290.363
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1,391.5550000000001
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,877.0450000000004
O=C(c1ccc(Cl)o1)N1CC2CNCC2C1,240.69
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,436.2700000000001
CC(Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl,444.3220000000001
[Xe],131.29
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,575.6870000000001
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,469.5480000000002
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,244.207
CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C,563.6720000000004
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,302.4580000000001
COc1ccc(OC(C)C(=O)O)cc1,196.202
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,341.4510000000001
CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,302.292
O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1,339.3920000000002
CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,298.379
Nc1cc(Cl)ccc1C(=O)CC(N)C(=O)O,242.662
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,455.5510000000002
CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,473.40700000000015
O=P1(N(CCCl)CCCl)NCCCO1,261.089
COCCOCCOCCOCCOCCOCCO[C@H]1CCC2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,595.7300000000002
COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2,241.25000000000003
CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O,404.5070000000002
Clc1cccc(N2CCNCC2)c1,196.681
NCCC[C@H](N)C(=O)O,132.163
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,473.5940000000001
C[N+](C)(C)CCOCF,136.19
Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,365.8420000000001
CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,337.5730000000001
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C,594.6680000000002
CN1CCOC(c2ccccc2)c2ccccc2C1,253.345
Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21,504.2310000000003
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1,400.48600000000016
Cc1cn([C@H]2O[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,529.4580000000002
O=C(NOCCO)c1cc2scnc2c(F)c1Nc1ccc(I)cc1F,491.25700000000006
CC(C)C(=O)N1CCC[C@]12CN([C@H](C(N)=O)[C@@H](C)O)C2=O,297.355
CO[C@]1(c2cccc(F)c2F)CCNC1,213.22699999999995
CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CN1,490.4700000000002
O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1,547.788
CCCCCCN(CCOc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)C[C@H](O)C(O)[C@H](O)[C@H](O)CO,669.2240000000004
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)(C(C)C)C1,511.5890000000002
CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,346.5110000000002
Oc1ccc2c3c(cnc2c1)-c1ccc(C(F)(F)F)cc1O[C@@H]3c1ccc(OCCN2CC(CF)C2)cc1,524.5140000000004
O=[P@]1(S)OC[C@H]2O[C@@H]3[C@H](F)[C@@H]2O[P@](=O)(S)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(ncnc21)NC/C=C/CNc1ncnc2c1ncn23,746.6119999999996
COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CC[C@H](N2CCN(c3ccc(N[C@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1,710.7980000000002
CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C1CO,401.8460000000001
NC(=O)C1CCCC2c3cc(Cl)ccc3NC12,250.72900000000004
CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1,532.5270000000002
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1,392.3370000000001
C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12,398.4740000000002
CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,311.34200000000004
Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1,388.2540000000001
CCOC(=O)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1,452.4540000000002
Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)O)cc21,653.5810000000001
CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,398.854
CC(C[N+](C)(C)C)OC(N)=O,161.22499999999997
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,359.35400000000004
O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,337.46300000000014
CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,485.9470000000002
CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1,490.64500000000015
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1,564.712
NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O,519.5270000000002
O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1,559.823
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,392.4110000000002
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,454.6110000000002
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)ccc2O1,382.58800000000014
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,394.4390000000002
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,311.425
CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,389.4330000000001
NC[C@H](O)c1ccc(O)c(O)c1,169.17999999999998
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,411.473
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13,484.3940000000002
COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1,534.546
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)NCc4ccc(S(N)(=O)=O)cc4)C3)[C@H](C)[C@H]12,524.6210000000003
CON,47.057
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,346.46700000000016
C[n+]1ccc(C(=O)NCc2ccccc2)cc1,227.28700000000003
CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O,328.40800000000013
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,465.9530000000003
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,426.49200000000025
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,584.6590000000006
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,320.341
O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,318.61100000000005
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,308.37800000000004
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,347.224
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,284.363
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,285.69100000000003
Sc1ncnc2nc[nH]c12,152.182
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-],813.4460000000001
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,331.34700000000004
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,287.35900000000004
O=C=O,44.009
Nc1nc2[nH]cnc2c(=S)[nH]1,167.197
N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,240.306
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,324.44900000000007
O=C(O)Cn1c2ccccc2c(=O)c2ccccc21,253.257
COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1,371.4180000000001
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1,512.9000000000002
C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O,665.7330000000004
O=C(O)[C@@H](O)[C@H](O)C(=O)O,150.08599999999998
CN1C(=O)CC(C)(c2ccccc2)C1=O,203.241
O=P(O)(O)O,97.994
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,276.745
Nc1ccncc1,94.117
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,807.8900000000002
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,494.5310000000002
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N,308.422
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,327.12300000000005
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,242.344
COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC,379.5040000000001
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,226.276
CCCCCCCCCCCCCCCCO,242.44699999999992
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,268.229
O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,397.86600000000016
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,298.34600000000006
CN(C)c1nc(N(C)C)nc(N(C)C)n1,210.285
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,516.8570000000003
Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1,815.7179999999998
Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,273.248
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1,368.44100000000014
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,211.217
Cn1c(=O)c2[nH]cnc2n(C)c1=O,180.167
C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21,444.44000000000017
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,291.37600000000003
NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,254.289
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,404.5030000000002
CCCCOc1ccc(CC(=O)NO)cc1,223.272
O=C(c1ccc2nccnc2c1)N1CCCCC1,241.29399999999995
Cc1ccccc1OCC(O)CO,182.219
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,477.4240000000002
CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1,525.6420000000002
NC(=O)N1c2ccccc2CC(O)c2ccccc21,254.289
CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C,432.54200000000026
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,319.88000000000005
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,300.74500000000006
CCCCNC(=O)OCC#CI,281.093
Nc1ncnc2c1ncn2CCNCCCCCO,264.3329999999999
Ic1[nH]c(I)c(I)c1I,570.6750000000001
CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O,483.4730000000002
Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1,380.45100000000014
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,470.6940000000004
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,243.219
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,244.20300000000003
Clc1cc(Cl)c(OCC#CI)cc1Cl,361.393
C/C=C/C(=O)N(CC)c1ccccc1C,203.28500000000005
CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O,327.721
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,292.244
c1ccc2c(c1)CCCC2C1=NCCN1,200.285
CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21,443.5590000000003
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,478.4920000000002
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1,630.1190000000003
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,314.38900000000007
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,336.3670000000001
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,353.33000000000004
N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,246.097
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,371.3020000000002
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,325.45200000000006
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,334.41600000000005
Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,458.4960000000002
O=C(O)P(=O)(O)O,126.00399999999998
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O,330.5120000000001
C[C@@H]1CN(c2nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1,591.6560000000001
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,450.9150000000001
COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,389.4560000000002
NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,389.8860000000001
CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,472.5780000000002
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,413.4260000000003
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21,314.46900000000005
N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21,235.217
NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,337.456
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,375.40700000000015
Cc1c(O)c(=O)ccn1C,139.154
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1,356.22300000000007
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,252.273
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,300.74500000000006
CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O,544.6190000000004
NCCCNCCCCNCCCN,202.34599999999995
COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,863.3649999999996
c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,310.40000000000003
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1,255.745
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,414.41000000000025
CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1,206.285
NCCS,77.15199999999999
CC(N)(Cc1ccc(O)cc1)C(=O)O,195.218
Cc1nn(-c2cnc(OCC(C)C)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12,436.92100000000016
Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1,319.364
COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1,355.4120000000001
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1,545.4570000000002
O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1,328.293
CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1,700.2900000000001
COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1,592.7000000000002
CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12,343.5150000000001
CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,353.50600000000003
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,284.34400000000005
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1,584.683
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F,430.45200000000017
Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,247.251
OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,180.156
N=C(N)NCc1cccc(F)c1,167.18699999999998
Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,453.54200000000014
O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2nccnc12,421.3600000000001
CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,418.46300000000014
CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1,309.34700000000004
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,291.4350000000001
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O,280.323
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,521.6660000000004
CN1CC[C@H](c2c(OP(=O)(O)O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,481.8250000000003
O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,425.8900000000002
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O,501.5090000000002
CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1,477.5210000000002
NC(=O)N/N=C1\C=Cc2ccccc2C1=O,215.212
CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4sc(C)nc4C)o3)cnc21,439.5450000000002
CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1,473.6350000000002
CCCCCc1cccc(CC(=O)O)c1,206.285
Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C#N)c12,336.3760000000001
C/N=C(\NC)NCc1ccccc1,177.251
OC(CNc1ccccn1)c1ccccc1,214.268
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O,353.40400000000005
CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(N3C[C@@H](C)CC3(C)C)n2)c1,539.6730000000002
[133Xe],132.9059107
Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,417.5130000000003
COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1,312.325
C[S@+]([O-])CCCCN=C=S,177.294
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1,323.19800000000004
Nc1cc[nH]c(=O)n1,111.104
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,316.382
O=C(Nc1ccc(O)cc1)c1ccccc1O,229.235
c1ccc(CC2=NCCN2)cc1,160.22000000000003
[He],4.003
Cc1cccc(C)c1NC(=O)C(C)N,192.262
COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,791.115
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,257.246
CC[C@@H]1SC2(CCN(C)CC2)NC1=O,214.334
CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,459.46300000000025
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,302.41400000000004
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,370.587
CCCCCCOc1cc(C)c(O)c(C)c1C,236.355
CCNC(=O)CC[C@H](N)C(=O)O,174.2
Cc1nc(-c2ccccc2F)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1,395.3900000000001
O=C1CC[C@H](N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1,469.54100000000034
CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,317.476
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2,245.32199999999995
C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC,383.4700000000002
CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1,293.43600000000004
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O,343.552
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,221.209
CN1C(=O)C(F)=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NCc4nc5ncccc5[nH]4)C3CCC12,479.6000000000002
Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O,367.44900000000007
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,514.6290000000004
NCCc1c[nH]cn1,111.14799999999998
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,434.5040000000002
NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N,424.6750000000001
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O,304.386
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,438.5240000000003
CC(=O)O,60.05200000000001
CCCl,64.515
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,396.45400000000006
CC(=O)C(=O)O,88.06199999999998
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1,547.6740000000003
C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,500.6290000000001
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O,482.4410000000002
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1,369.3360000000003
O=C(c1ccccc1)C(O)c1ccccc1,212.248
C=CC(=C)CCC=C(C)C,136.238
CC(N)Cc1ccccc1,135.20999999999998
O=C(O)[C@H](S)[C@H](S)C(=O)O,182.222
Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,644.8820000000001
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1,602.5850000000002
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,214.074
Clc1ccc(OC[C@H]2CCN2)cn1,198.653
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,371.8720000000001
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1,431.91600000000017
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C,539.7050000000002
O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,376.359
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,336.4320000000001
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,318.339
CN(C)CCN(Cc1cccs1)c1ccccn1,261.394
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,376.45300000000026
CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2,410.52200000000033
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,321.829
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,317.223
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,341.433
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,398.4000000000001
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C,384.6480000000002
C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1,340.44300000000004
C[C@@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1,379.5440000000001
N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O,368.52400000000017
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21,419.3840000000002
[LiH],7.949
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,511.57100000000014
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,219.281
CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,426.5820000000002
C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O,293.258
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2,378.4320000000002
COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC4)c23)c1C,390.4430000000002
C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,406.4210000000001
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,294.45700000000005
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,750.7580000000003
CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O,484.64900000000017
O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl,415.1170000000001
CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1,469.5500000000002
CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1,364.4850000000001
COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1,481.9150000000003
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O,434.8990000000001
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,362.47300000000007
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1,424.4420000000002
FC(F)OC(F)(F)C(F)Cl,184.491
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,386.48
NC(=O)OCC(COC(N)=O)c1ccccc1,238.243
CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,274.408
O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,494.4520000000002
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,256.09599999999995
C[N+](C)(C)CCO,104.173
Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,220.356
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,320.324
NS(=O)(=O)Cc1noc2ccccc12,212.23
O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12,389.842
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,376.4680000000002
CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O,315.694
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1,757.9510000000001
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1,556.7920000000001
COC(=O)c1cncn1[C@H](C)c1ccc(I)cc1,356.163
CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C,511.71400000000034
CCCn1c(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2n(CCC)c1=O,344.4150000000002
FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccncc4c3)CC2)c1,382.4290000000001
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,290.404
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,287.4470000000001
COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1,424.5630000000003
Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1,213.193
O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO,433.51200000000006
N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1,230.355
COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1,480.4940000000001
COc1cccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)Oc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1,546.5450000000002
Cc1cc(C)c2c3ccccc3n(Cc3cccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)c3)c2n1,531.7000000000003
CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,615.7770000000002
O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1,297.141
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H]1CCN(C(=O)N(C)C)C1,439.4910000000002
CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1,398.4880000000001
COc1cc(C(C#N)(CCCN(C)CCc2ccccc2)C(C)C)cc(OC)c1OC,424.58500000000015
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,308.42100000000005
COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1,376.4160000000001
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,471.6850000000001
O=c1ccc2cc3ccoc3cc2o1,186.166
CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,370.5330000000001
O=C(c1cccc(F)c1-c1ncccn1)N1C[C@@H]2C[C@H]1[C@H](Oc1ccc(C(F)(F)F)cn1)C2,458.4150000000001
OCc1c[nH]c2ccccc12,147.17699999999996
Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,393.69700000000006
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,312.4530000000001
Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,450.5730000000001
C1CNCCN1,86.138
N=C(N)NN,74.087
N[C@H](Cc1ccc(OC[18F])cc1)C(=O)O,212.210938
Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1,378.4270000000002
NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1,273.357
N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O,291.267
N#Cc1ccc(COc2ccc(C#Cc3ccc(C(F)(F)[C@](O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)cc1,584.5330000000001
NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12,449.864
COC[C@H](C)NC(=O)c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)O,548.4490000000003
CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O,398.49900000000014
COC(=O)Nc1nc2cc(C3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3C)ccc2[nH]1,462.8930000000002
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,304.32500000000005
CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,422.4490000000002
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1,349.4120000000001
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,824.9719999999999
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CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,463.55600000000015
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N=C(N)NC(=N)N,101.113
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O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,285.343
C[C@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,280.32800000000003
C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,328.5000000000001
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12,488.6140000000004
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],209.253
O=C(O)C(Cl)Cl,128.942
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O,380.5250000000002
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CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,225.24400000000003
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,280.309
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32,354.45000000000016
c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1,388.4750000000001
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,375.40000000000015
Nc1c2c(nc3c1CCCC3)CCCC2,202.301
COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC,620.5110000000002
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1,397.43100000000015
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I,354.1
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1,349.77400000000006
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,239.315
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,372.5050000000002
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,303.35800000000006
O=C(O)[C@H](O)[C@@H](O)C(=O)O,150.08599999999998
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,324.38000000000005
NC(=O)c1cn(Cc2c(F)cccc2F)nn1,238.197
CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1,371.55300000000005
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,309.47800000000007
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O,358.47800000000007
CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,221.344
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,612.6320000000002
NCCCNCCSP(=O)(O)O,214.227
N=C(N)N,59.072
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O,510.292
CCCCCCCCCCCCCCSCC(=O)O,288.497
CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1,349.518
O=NN(CCCl)C(=O)NCCCl,214.052
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,614.6500000000003
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,495.0310000000004
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CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,408.4720000000001
COCC1(CO)C(=O)C2CCN1CC2,199.25
CC(C)O,60.096
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,570.6490000000002
CCCN(CCC)CCc1cccc2c1CC(=O)N2,260.3809999999999
COc1ccc(CN2CCN(CCOC(=O)c3cccnc3)CC2)c(OC)c1OC,415.4900000000002
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F,491.52300000000025
C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1,526.0440000000002
C1COCN1,73.09499999999998
CCOc1ccc2c(-c3cccc(F)c3)nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1,486.5030000000002
CC(=O)NS(=O)(=O)c1ccc(N)cc1,214.246
COc1cc(/C=C/C(=O)/C=C/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1,396.43900000000014
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,453.5070000000002
CC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3ccccc23)CC1,423.0040000000002
O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3c(=O)[nH]ccc23)c1C(F)(F)F,467.32900000000006
CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc1ccc(-c2ccc(C#N)s2)cc1,392.5020000000001
COc1ccc(OC)c(C(O)C(C)N)c1,211.261
NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,532.4110000000002
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,477.0480000000002
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O,412.6140000000003
Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21,394.47900000000016
O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12,588.5520000000004
O=C(O)c1cc(=O)c2ccccc2[nH]1,189.17
CC(C)(O)C(Cl)(Cl)Cl,177.458
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,195.215
C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1,431.39200000000017
CC(C)C[C@H](N)C(=O)O,131.175
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,406.3890000000002
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3,652.8319999999999
CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1,407.9010000000001
NC(=O)C1=C(O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O,371.34500000000014
NCCCCNCCCN,145.25
CNCC(O)c1ccc(O)c(O)c1,183.207
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC,645.1490000000003
CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,707.9790000000002
CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,568.8860000000002
CS(=O)(=O)OCCOS(C)(=O)=O,218.252
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O,441.91200000000026
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(-c2cccc(Cl)c2)on1,381.823
COC[C@@]1(C)CCCN2CCc3c(oc4ccccc34)[C@@H]21,285.387
O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1,451.5020000000003
CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1,456.4150000000002
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2,404.55100000000016
CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,393.49100000000016
c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1,209.292
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1,531.3160000000003
COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C,469.5630000000002
CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1,377.3660000000001
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)CC2,370.3400000000001
N[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O,333.3440000000001
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(-n4cccn4)nc3)CO2)[C@]1(C)O,841.0159999999998
N#CC(c1ccc(F)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,391.1890000000001
O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21,557.6010000000002
CCC/N=C1\S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C,460.9830000000001
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,499.71400000000034
Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2,396.4470000000002
Nc1ncn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)n1,557.4170000000001
CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@](O)(CO[C@H]3CCOC3)CC2)CC1,543.7260000000002
CN1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1,366.4680000000001
CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCCC2,426.5240000000003
[O-][n+]1cccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)c1,482.8530000000001
CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F,361.37300000000016
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,412.9460000000002
Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21,371.36800000000005
CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2,292.379
NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,277.15
N[C@]1(C(=O)O)C[C@@H]([18F])C1,132.124938
C=CC(=O)N1CCC[C@@H](c2ccc(C(N)=O)c3[nH]ccc23)C1,297.35800000000006
Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,413.5610000000004
CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CN,411.4560000000002
O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21,199.162
O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1,408.395
CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O,664.9070000000002
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21,352.471
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C,386.4880000000002
CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,311.856
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,507.5410000000003
COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O,569.6620000000003
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,327.8150000000001
Cc1cc(C(=O)Nc2cc(Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2F)n(C)n1,467.5080000000001
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1,438.46300000000014
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F,569.5080000000004
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2,456.9300000000003
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O,627.9770000000005
N[C@@H](Cc1ccc(OCCF)cc1)C(=O)O,227.235
[18F]c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,356.3909380000001
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,439.8900000000002
CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1,212.29299999999995
C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34,298.321
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc(I)cc1,637.6240000000005
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,365.842
CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3,613.2200000000004
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1,374.5210000000001
Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,437.7790000000001
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,767.9060000000002
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2,499.6480000000004
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,396.516
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1,352.47800000000007
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1,361.34800000000007
O=C1N[C@H](C(=O)O)CS1,147.155
CC12CC3CC(C)(C1)CC(N)(C3)C2,179.307
O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1,649.6700000000003
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,458.5950000000002
O=C1CN2C(=O)CCC2N1,140.142
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,416.8720000000002
Oc1c(Cl)cc(Cl)c2cccnc12,214.051
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COC(=O)CO)C3)c2n1,344.37500000000017
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(=O)n(C)c2)c1)c1ccccc1,494.54200000000014
COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,211.217
CNC1(c2ccccc2Cl)CCCCC1=O,237.7299999999999
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21,479.9280000000002
Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2,407.9190000000002
COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C,889.0169999999996
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C(F)(F)F)on2)c(F)c1,467.41900000000015
C(=C/[C@H]1CCNC1)\c1cncnc1,175.235
Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O,389.4120000000001
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1,413.4590000000002
CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc3ccccc3)c2c1,788.0989999999997
CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1,376.441
Cl[223Ra]Cl,293.9245022
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,443.311
CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,422.477
FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,500.07
CN1C2C(=O)c3ccccc3C1C1=C2C(=O)c2ccccc2C1=O,315.32800000000003
C=CCOc1ccccc1OCC(O)CNC(C)C,265.35299999999995
CC(=O)N(CCCCNCCCn1c(=O)[nH]c2ccccc2c1=O)CCCn1c(=O)[nH]c2ccccc2c1=O,534.6170000000003
CC(C)[C@H](N)C(=O)OCC[C@@H](CO)Cn1cnc2c(=O)[nH]c(N)nc21,352.39500000000004
O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12,456.49000000000007
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,368.4970000000001
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC[C@H](OC(N)=O)c2ccc(F)cc2)CC1,492.9790000000003
CC(c1cc2ccccc2s1)N(O)C(N)=O,236.296
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl,514.2170000000001
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,257.377
C[C@@H](O)[C@H](N)C(=O)O,119.12
CCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1,285.38400000000007
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,233.245
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,310.3350000000001
NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl,267.67600000000004
Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1-c1nnc(CO)o1,416.3370000000001
Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,298.39000000000004
C[N+](C)(C)CCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1,694.9240000000002
Fc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1,321.3420000000001
[Rb],85.468
CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,284.38100000000003
COc1cc(Cl)ccc1[C@H]1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O,398.8650000000003
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,283.415
C[75Se]CC[C@H](N)C(=O)O,192.0705234
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,602.9050000000001
O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1,571.5850000000003
CCC(C)C(CC)C(N)=O,143.23
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO,465.55400000000026
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,176.124
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,484.9670000000002
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,437.52900000000017
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1,325.37200000000007
Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1,337.8540000000001
CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2S1,401.5570000000001
O=C(O)c1ccc([C@H]2C[C@@H](NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c3ccc(OC(F)F)cc3O2)cc1,559.4680000000002
CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C,494.5050000000003
COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1,545.6440000000002
CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,475.6260000000004
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1,407.4450000000002
Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1,381.354
N[C@@H](Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O,277.169
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,323.371
Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,265.273
NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,428.9240000000002
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O,402.8600000000002
O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1,545.1870000000001
Nc1c(-c2cc(Cc3ccc(COc4ccccn4)cc3)no2)ccc[n+]1COP(=O)([O-])O,468.4060000000001
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1,532.5700000000002
CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C,406.4600000000001
COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1,559.6230000000002
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12,806.956
CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21,512.3770000000002
COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O,467.3490000000003
CCCn1cnc(C[C@H](CCCN)C(=O)O)c1,239.319
CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,405.9690000000001
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O,344.492
CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,489.4820000000002
CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F,454.878
O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2,380.9190000000001
C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO,257.223
CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21,547.9650000000001
CNC[C@H](O)c1cccc(O)c1,167.20799999999997
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1,474.4240000000002
CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O,439.5770000000001
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1,351.4430000000001
N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,292.209
COCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1,383.4960000000002
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,290.832
Cn1c(=O)oc2cc(-n3cc(C(=O)O)c(=O)n([C@@H]4CCc5c4cccc5C(F)(F)F)c3=O)ccc21,487.3900000000002
CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,454.4900000000002
CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2,527.6370000000004
CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1,637.8460000000001
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,313.8280000000001
CC(CCCCCCCCCCCCc1ccc([123I])cc1)CC(=O)O,454.42558900000006
CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC,460.5080000000002
Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1,398.3490000000001
CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O,209.289
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1,462.5130000000001
Cc1ccccc1C(OCCN(C)C)c1ccccc1,269.388
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,246.266
O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21,295.4069999999999
CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1,234.343
CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,373.45700000000016
CC(I)C1OCC(CO)O1,258.055
CO[C@H]1CCC[C@H]2C1=C(C(=O)OC(C)OC(=O)OC1CCCCC1)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21,451.5160000000003
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,584.8380000000002
Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O,286.29099999999994
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C,348.3590000000001
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O,364.4050000000001
C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21,345.37000000000006
Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1,482.5360000000001
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CC#CC(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O,410.5980000000001
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,285.41599999999994
Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O,504.53000000000026
Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,387.7190000000001
NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1,790.9909999999995
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O,322.15000000000003
CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,344.4550000000002
COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,475.6100000000004
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5,413.55800000000016
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O,723.65
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,331.4670000000001
C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,440.788
CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,270.76300000000003
COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1,393.5270000000002
OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,404.459
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,486.52900000000034
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1,388.4890000000001
CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1,319.246
O=C1NS(=O)(=O)c2ccccc21,183.188
CC1(C)CN[Se]c2ccccc21,226.181
CCOc1cc([C@@H](CS(C)(=O)=O)N2Cc3cccc(NC(=O)C4CC4)c3C2=O)ccc1OC,472.5630000000003
CNC(=O)c1cccc(-c2ccc3c(N4C5CCC4COC5)nc(N4CCOC[C@@H]4C)nc3n2)c1,474.56500000000034
N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1,227.242
CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,429.5570000000002
O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2,260.1859999999999
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,331.297
CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1,339.5080000000001
O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2,416.4740000000002
CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,794.9760000000002
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1,340.3870000000002
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,315.869
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F,447.5220000000002
[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1,255.3304336
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(NC)cc1OC,383.5140000000002
COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1,532.6190000000003
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12,555.5160000000003
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,246.30599999999995
CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O,324.3800000000001
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O,411.49800000000016
O=c1ccc2ccc(O[C@H]3C[C@@H]4CC[C@H](C3)N4)cc2o1,271.316
COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1,452.5510000000003
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCNCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O,685.0730000000004
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3,440.5430000000002
COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O,368.38900000000007
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC,349.47100000000006
O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1,400.50000000000017
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,334.257
C[C@H](N)Cc1ccccc1,135.20999999999998
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1,517.5080000000003
C/C1=C/C[C@@H](/C(C)=C/c2cc(C)on2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1,473.6100000000002
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1,394.4270000000001
CC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2nccc3ccccc23)=NO1,415.4210000000001
CN(CCCl)CCCl,156.056
Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1,431.4580000000003
COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,357.7930000000001
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,472.5530000000002
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O,527.6530000000001
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,384.51600000000025
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]([18F])[C@@H]2O,289.380938
COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1,534.5420000000003
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,511.8190000000002
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,351.4430000000001
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1,336.39500000000004
C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,517.7760000000004
CC(=N)NCCSCC[C@H](N)C(=O)O,219.31
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,306.37300000000005
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([131I])cc1,641.6261246000006
[129Xe],128.9047794
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,498.958
CN/C(=N\CCSCc1nc[nH]c1C)NC#N,252.347
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,323.4400000000001
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1,367.814
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,302.458
O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21,262.26800000000003
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1,481.51200000000034
C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,477.56300000000016
CN(C)C(=N)NC(=N)N,129.167
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,286.718
c1cncc(C2=NCCCC2)c1,160.22
Oc1cc(O)cc(O)c1,126.11099999999996
Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)O)N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1,690.6729999999999
CCOC(N)=O,89.09400000000001
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,344.845
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,248.307
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,247.276
S=[Se]=S,143.094
c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1,246.313
C[N+](C)(C)NCCC(=O)[O-],146.19
S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1,447.5200000000002
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,465.6310000000003
CCOC(=O)n1ccn(C)c1=S,186.236
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,267.278
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2,152.237
Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C,489.4060000000002
N#Cc1ncc(N2C(=O)C3(CCC3)N(c3ccc(OC4CCNCC4)nc3)C2=S)cc1C(F)(F)F,502.52200000000016
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,442.42400000000015
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,301.47400000000016
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,742.6800000000007
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,429.6040000000001
C#CC(C)(O)CC,98.14499999999998
Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1,517.0730000000002
NC(CO)(CO)CO,121.136
CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,353.4660000000001
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,309.45300000000003
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,280.291
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,276.38
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,505.4580000000002
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,325.496
CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,558.5950000000003
CCN(CC)C(=O)C1(c2ccccc2)CC1CN,246.354
Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O,514.0370000000003
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,371.4260000000001
CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1,457.9620000000003
OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1,308.38500000000016
Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1,521.5840000000004
C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(F)c5sc(N)nc45)c(Cl)cc23)CC1,486.9350000000002
CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1,440.8930000000001
O=C1CCc2cc(OC[C@H](O)CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2N1,449.4730000000001
CCOCc1ccc(C)c(Nc2ncc(-c3ccc(N4CCNC4=O)cc3)o2)c1,392.4590000000002
N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1,235.28700000000003
CC(=O)OC[C@@H](O)[C@@H](O)[C@@H](CC=O)OC(C)=O,248.231
Cl[TeH]1(Cl)(Cl)OCCO1,295.0190000000001
CCCCCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H](C(=O)NCCCCCC(N)=O)[C@@H](C)CC,584.6510000000002
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1,574.5360000000003
CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl,437.8700000000001
[223Ra],223.0185022
COc1ccc(C2(CCCN(C)C)OCc3cc(C#N)ccc32)cc1,336.435
c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1,411.4690000000003
C[C@H]([C@H](C(=O)Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F,488.333
CC1(C)CCCN1C(=O)c1ccc(-c2cc(F)ccc2OCC(=O)O)cc1Cl,405.8530000000002
CCOC(=O)N1CCC(C)(N2CCC(N3C(=O)N[C@H]4CCCC[C@@H]43)CC2)CC1,392.5440000000003
Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1,500.51100000000025
CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1,236.3
Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1,503.5910000000002
O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,348.3810000000001
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1,504.97000000000014
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C,568.604
CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,602.6410000000002
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1,479.43400000000014
CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C,442.5590000000002
COC(=O)[C@H](c1ccccc1)N1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1,572.6270000000001
[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2,323.4656106680001
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,659.8530000000003
Oc1ccc(C(O)C2CCCCN2)cc1O,223.272
CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)C(C)=C4CC)C(C)C13CC,576.7850000000003
Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1,346.38000000000005
CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21,391.5850000000001
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,504.4380000000001
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5,651.7940000000003
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N,270.381
C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1,239.362
COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F,508.4300000000003
O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,358.2020000000001
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1,320.845
CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C,388.41600000000017
CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1,460.5120000000001
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,459.5580000000002
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,370.4890000000001
CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21,510.3670000000001
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1,395.4220000000001
O=C(O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1,405.80300000000005
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(O)c1,392.49900000000014
CC[C@@H](Oc1cccc(-n2c(C)c(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,527.4950000000002
Cc1n[nH]cc1-c1cc2nc([C@@H]3CC4CCN3CC4)[nH]c(=O)c2s1,341.43999999999994
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=S)S,271.36
CC(=O)N(C)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,586.7440000000001
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,540.0210000000002
Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1,418.51200000000006
COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1,467.3520000000002
O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1,460.521
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,349.7770000000001
CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,444.4710000000002
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,384.51600000000025
C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1,406.4330000000001
CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F,501.5090000000003
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,299.761
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,312.4530000000001
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,466.62500000000034
Cc1cc(C(=O)NNCc2ccccc2)no1,231.255
OCC1OC(O)CC(O)C1O,164.157
Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1,399.4330000000001
O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O,414.6870000000001
CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21,406.48600000000016
CC(=O)O[C@]1(C(C)=O)CCC2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C,372.5490000000002
NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,404.323
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,304.217
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,530.4560000000004
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,290.271
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,255.273
O=Cc1ccc(CO)o1,126.11099999999998
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,392.4380000000001
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,180.156
O=C(O)CCCCCCCC(=O)O,188.223
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,250.342
O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,420.3220000000002
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,645.3190000000002
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,410.9130000000002
CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1,416.343
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,302.367
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,615.6340000000004
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,290.44700000000006
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,227.22
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,399.9660000000002
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I,627.9420000000001
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,441.5350000000002
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,335.8790000000001
CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21,349.81800000000004
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,381.4510000000002
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,274.40399999999994
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21,349.343
CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O,487.1440000000001
O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,416.38200000000006
CN[C@@H](C)[C@@H](O)c1ccccc1,165.236
C#CCN(C)CC1=Cc2ccccc2Oc2ccccc21,275.351
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,365.4110000000001
CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,276.38300000000004
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,383.4080000000002
O=c1cc[nH]c(=O)[nH]1,112.088
CCCCCC[C@@H](CCC)C(=O)O,186.295
Nc1ccc(C(=O)O)c(O)c1,153.137
CN(C)CCC=C1c2ccccc2CCc2ccccc21,277.411
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,462.5390000000004
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CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,308.3810000000001
CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1,287.297
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CC(C)OC(=O)CCC/C=C\CC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1,467.0020000000002
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C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1,513.0130000000003
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CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1,529.6590000000003
C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21,272.348
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C1CCc2nnnn2CC1,138.174
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,527.5260000000003
C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C,525.5980000000004
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CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21,288.778
Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1,344.394
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,611.7390000000003
CCCCCCCCCCCCCCCC[n+]1ccccc1,304.5419999999999
CC1=CC(=O)C(C(C)C)=CC1=O,164.20399999999998
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CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I,613.9590000000001
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,466.95800000000025
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CC(C)NCC(O)COc1cccc2ccccc12,259.34900000000005
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CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,291.39100000000013
NC(=O)c1ccc(I)c([N+](=O)[O-])c1,292.032
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Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,515.6170000000003
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COCCN(CCCCC1=CC=C2CCCN=C2N1)CC[C@H](Nc1ncnc2ccccc12)C(=O)O,492.6240000000002
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CCNCC,73.139
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CC(C)(C[C@H](N)C(=O)O)C(F)F,181.182
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CN1CCN(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)C(=O)C1,659.0780000000001
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,552.6260000000003
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CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C,399.8710000000001
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,370.42800000000017
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,416.5260000000002
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C/C(=N\O)c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1,245.235
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CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,398.503
C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,358.4580000000001
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1,530.5140000000001
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,336.44700000000006
OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,486.43600000000015
O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1,437.4510000000001
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1,452.5380000000002
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,332.313
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,518.0880000000001
C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,271.247
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,307.1
CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,449.6350000000003
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,387.48400000000015
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21,372.5490000000002
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,250.338
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,371.3930000000001
C=CCS[S+]([O-])CC=C,162.27899999999997
OCC(O)CN1CCN(c2ccccc2)CC1,236.31500000000003
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,302.194
C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N,421.9580000000003
C[C@H](N)[C@H](O)c1cccc(O)c1,167.20799999999997
COC(=O)CCC(=O)CN,145.158
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12,524.6210000000001
O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12,619.9930000000002
COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CC2,377.4600000000002
O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1,429.24000000000007
O=C1CC[C@H](C(=O)N2CCCCC2)N1,196.25
O=C(O)[C@H](O)[C@@H](O)CO,136.103
COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,252.269
NC(=O)CN1CC(O)CC1=O,158.15699999999995
CCCC,58.124
COc1nc(C)nc(Cl)c1NC1=NCCN1,241.682
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@@](Cn1cncn1)(OCOP(=O)(O)O)c1ccc(F)cc1F,547.4800000000002
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1,491.9970000000003
Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,363.65400000000005
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O,358.46000000000004
CC(C)NCC(O)COc1cccc2[nH]ccc12,248.326
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,452.49400000000026
COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(N)=O)c(=O)n1CC2,477.56500000000034
O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCN3CCOCC3)c12,423.3040000000003
N[14C](N)=O,62.04824199
Cc1cccc(Nc2ccccc2C(=O)O)c1C,241.29
C[C@@H](c1cc(Cl)cc2ccccc12)N(C)C(=O)CC1(c2ccc(F)cc2)CCN(C)CC1,453.0010000000003
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,417.38700000000006
Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1,410.4000000000002
O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1,401.2740000000003
Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1,242.274
COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2,367.4090000000001
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,297.423
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,422.9200000000001
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,376.4680000000001
[Kr],83.8
CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1,525.0900000000003
[Ra],226.0
N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1,403.4860000000002
CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1,309.45300000000003
CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O,505.6190000000003
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)O)cc1,544.6950000000002
Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1,513.6270000000002
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,275.34800000000007
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1,556.6420000000004
COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21,480.5290000000002
CCCCCCCCCCCCOC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C,526.5930000000002
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,263.356
CC[C@H](C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,703.3550000000001
CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12,521.0320000000002
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@]12C,422.6060000000002
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,282.336
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,362.407
CCC1(CC)C(=O)NC(=O)NC1=O,184.195
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,335.4730000000002
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1,349.51800000000003
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,853.918
O/N=C/c1cc[n+](C[n+]2ccc(/C=N/O)cc2)cc1,258.28100000000006
CN(C)CC1CCOC1(c1ccccc1)c1ccccc1,281.399
O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,260.337
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(OCC(O)CO)cc1,451.91500000000025
CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1,311.449
NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl,370.8470000000001
CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1,379.4640000000001
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,307.434
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,488.5480000000002
O=[N+]([O-])c1nccn1CC(O)C[18F],188.148938
COc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2OP(=O)(O)O)cc(OC)c1OC,492.3100000000002
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,521.0500000000003
CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O,521.0060000000003
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O[11CH3],346.2424336
Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1,703.8360000000002
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,597.9050000000001
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1,487.39500000000027
CC(=O)NCCCS(=O)(=O)O,181.213
Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1,396.4540000000001
CC[C@H](Nc1ncnc2[nH]cnc12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1,415.42800000000017
CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3,330.5600000000002
Cc1cccc(F)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1,421.76200000000006
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,354.4580000000001
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1,512.4410000000004
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O,494.5690000000003
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1,529.4580000000002
CN(CC(N)=O)C(=O)N(CCCl)N=O,222.632
CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1,411.58600000000007
CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,311.46900000000005
CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,382.4280000000001
C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,585.709
CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,408.5200000000001
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,643.9410000000001
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,180.156
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,493.6150000000002
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,310.33500000000004
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,272.09
Brc1c(NC2=NCCN2)ccc2nccnc12,292.14000000000004
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,229.261
O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,660.0300000000004
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,267.245
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,383.5170000000001
CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1,399.51900000000006
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,262.22099999999995
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,368.2970000000001
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,516.5500000000003
CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1,351.368
CC(C)(C)NCCNc1ccc(C2=NN=C(C(F)(F)F)C2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1,571.6520000000002
CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)c1,474.3990000000001
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC,394.55200000000025
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,667.7380000000002
CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1,430.46000000000026
N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1,582.9700000000001
N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,333.3440000000001
COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1,479.5590000000003
CCCCCCOc1nsnc1C1=CCCN(C)C1,281.425
CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,354.4700000000001
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O,752.2279999999998
CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3,401.5100000000002
CCNCC(O)c1cccc(O)c1,181.235
C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,451.6150000000002
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,778.9469999999999
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,613.8030000000003
CC1=NN(c2ccccc2)C(=O)C1,174.20299999999995
Oc1ccccc1,94.113
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1,334.169
O=C(O)Cc1ccc(-c2ccccc2)cc1,212.248
CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2,234.295
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,302.23800000000006
CN1CCN(C(c2ccccc2)c2ccccc2)CC1,266.38800000000003
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,514.7000000000005
NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1,460.4590000000001
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1,576.5050000000001
c1ccc2nc3ccccc3cc2c1,179.22199999999998
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,342.297
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,348.48600000000016
CNCCCN1c2ccccc2CCc2ccccc21,266.388
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,414.4980000000003
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,365.21400000000006
CC1(C)CC(O)CC(C)(C)N1[O],172.248
Nc1ccc(S(N)(=O)=O)cc1,172.20900000000003
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,384.4870000000002
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21,248.32199999999995
Cc1nc2ccccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)CC1,599.691
COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1,505.5710000000002
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1,616.8330000000004
CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O,369.52900000000005
Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,240.258
CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)F,431.3610000000002
CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC,627.8040000000002
CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1,307.434
CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,296.4390000000001
Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCOCC3)CC2)cc(C)c1O,633.7900000000001
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1,473.9350000000003
C[C@@H](O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F,544.5110000000002
Cc1cc(N2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)ccc1OC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(F)cc2F)C1,682.7470000000003
O=C(O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12,340.339
CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC,574.6710000000003
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,253.26900000000003
Oc1cc(Cc2ccccc2)nc(S)n1,218.281
CC(N)Cc1ccc(O)cc1,151.20899999999995
CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1,615.7390000000003
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,401.4380000000002
Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)n[nH]1,529.9790000000003
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,307.39700000000005
CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1,504.6560000000004
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O,395.4400000000001
C[C@@H]1CNS(=O)(=O)N(c2ccc3c(C#N)nccc3c2)C1,302.35900000000004
C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,398.4450000000001
CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO,520.5040000000002
Cc1cc(Br)c(O)c2ncccc12,238.08400000000003
C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N,604.1299999999999
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1,334.807
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,474.5500000000003
CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F,531.6130000000002
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,296.414
CS(=O)(=O)c1ccccc1S(=O)(=O)NO,251.28500000000005
NC(=O)c1ccn(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1,384.3900000000001
O=c1cc(NCCCN[C@@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccsc12,513.2550000000001
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,288.182
COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1,445.5150000000002
Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1,480.53200000000027
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,393.86500000000007
COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1,480.54600000000016
O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1,366.4160000000001
N=C1N(O)[C@@H](COC(N)=O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O,315.2900000000001
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,609.7429999999999
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1,633.6500000000003
C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc2nc(Br)cnc2c1,539.4330000000001
c1cc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1,469.62200000000047
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,312.482
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,303.33700000000005
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,286.23900000000003
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1,331.28000000000003
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,416.5140000000002
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,307.28700000000003
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,608.6880000000004
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,314.469
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,270.21
O=P1(N(CCCl)CCCl)OCCCN1CCCl,323.5880000000001
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,415.57400000000007
NCc1ccccc1O,123.15499999999996
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,260.334
COP(=O)(OC)C(O)C(Cl)(Cl)Cl,257.437
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1,500.5280000000002
C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1,402.87800000000016
O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O,428.4060000000001
CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1,428.3140000000001
CNCC(=O)O,89.09399999999998
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,303.358
C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C,366.4430000000002
CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21,340.4430000000001
Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N,502.5960000000002
O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O,371.028
Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl,429.2540000000001
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,400.9750000000002
Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1,666.703
OC(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)(C(F)(F)F)C(F)(F)F,534.3670000000001
CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21,424.52000000000015
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1,524.6350000000003
CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,404.4940000000003
CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,390.36000000000007
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,502.74600000000027
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,585.6080000000002
OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,163.173
Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1,426.48400000000015
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,371.34500000000014
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12,456.7110000000003
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC,885.4529999999991
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,303.681
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1,256.096
NC(=O)N1c2ccccc2C=Cc2ccccc21,236.274
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1,286.33900000000006
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,437.5310000000002
C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1,241.251
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,324.8110000000001
C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1,317.356
Cc1cc(C2CCCCC2)n(O)c(=O)c1,207.273
CC(C)NCC(O)c1ccc2ccccc2c1,229.323
O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1,353.44700000000006
CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,502.5790000000003
Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1,348.446
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,376.4960000000002
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,586.6890000000004
[AsH3],77.946
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1,510.63100000000026
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,246.30599999999995
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,376.36900000000014
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,342.297
NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1,362.4300000000001
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1,517.1270000000003
COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1OC,417.2630000000001
CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,231.261
O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O,306.70500000000004
CCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1,446.4500000000001
CCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OCCCC,514.4050000000003
C1N2CN3CN1CN(C2)C3,140.19
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,357.4500000000003
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O,391.3910000000001
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O,648.6450000000002
Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12,763.9039999999997
O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1,334.40000000000003
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,414.5860000000002
COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1,409.41300000000007
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21,302.422
C=CCc1c(OC(=O)N2CCC(N3CCCCC3)CC2)ccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC,598.7000000000003
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,461.50000000000017
Cc1ccc(N2CCNCC2)c(S(=O)(=O)O)c1,256.327
Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,463.79600000000016
Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,498.61300000000034
C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1,554.6550000000002
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl,361.822
NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,443.5290000000002
CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F,392.3850000000001
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,505.63700000000034
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,581.5800000000005
O=C(CCCCCCC(=O)Nc1ccc(CN[C@H](C(=O)OC2CCCC2)c2ccccc2)cc1)NO,495.6200000000004
O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,431.5360000000001
O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12,404.28900000000016
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1,546.9370000000002
CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21,377.4040000000001
CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1,569.7070000000003
Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br,306.12699999999995
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21,444.53500000000014
COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1,389.4290000000001
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,415.4320000000001
O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1,481.5960000000003
CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1,359.44100000000003
Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O,513.9320000000001
C[n+]1ccccc1C=NO,137.162
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,313.39700000000005
COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/[123I],425.274589
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1,557.0160000000001
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,278.399
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O,474.56500000000017
CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,488.6210000000003
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,476.5730000000003
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,383.41100000000006
COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC,345.43900000000014
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O,776.3660000000006
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,373.3680000000001
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,522.5780000000002
Cc1cccc(OC2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)c1C,329.4000000000001
CCN1C(=O)NC(c2ccccc2)C1=O,204.229
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1,389.496
CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,477.30500000000006
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1,370.3440000000001
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,446.5550000000001
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,748.299
[13NH3],16.02973861
CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1,337.38300000000004
C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1,455.5180000000002
C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,549.5530000000003
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F,352.743
COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)O)[C@@H]2c1ccccc1,339.435
O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1,333.372
[82Rb],81.9182086
COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,395.43400000000014
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],227.085
C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1,470.60400000000016
O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12,270.336
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,292.426
Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2ccccc2c1=O,383.46900000000016
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,588.2820000000002
Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O,365.8200000000001
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=S)[nH]1,283.313
O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccc2c(c1)CCO2,387.2440000000002
CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1,337.40000000000003
Cn1cc(Nc2nccc(N3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1,389.41
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O,442.40000000000015
Cc1cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)NCCN(C)C)c4)n3)ccc2[nH]1,480.5940000000002
N=C(N)NCc1cccc([131I])c1,279.0951246
COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC,469.5450000000002
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN(CC(=O)O)CC(=O)OCCn1c([N+](=O)[O-])cnc1C,497.4210000000003
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O,400.64700000000016
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1,325.774
C[C@H](CCOc1cccc(CC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1,596.0890000000002
CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1,422.4500000000001
CCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C,354.4900000000001
CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,332.4200000000001
N#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,309.247
Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1,334.78800000000007
CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1,897.0639999999996
N[C@H]1C[C@@H](C(=O)O)CC1=C(F)F,177.14999999999998
CCOCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1C,275.38900000000007
Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,562.6000000000001
O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2,449.3850000000003
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1,528.5760000000004
CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1,401.59100000000007
COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1,474.5610000000004
CNCC1CCCCN1C(=O)Oc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC,459.6310000000004
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O,325.7770000000001
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12,518.5800000000003
Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1,491.5080000000003
Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1,356.38900000000007
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O,490.7250000000003
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,495.56100000000026
COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1,487.4530000000001
Nc1nc2c(ncn2/C=C2/CC2(CO)CO)c(=O)[nH]1,263.2569999999999
COC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1,474.4470000000002
C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1,412.51900000000006
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(NC(=O)CO)c1,506.99300000000017
OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl,397.635
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,480.4660000000002
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)OC2C[C@@H](N)[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)OC2[C@@H]1O,539.5830000000003
O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,146.142
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,447.5430000000004
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C,519.6870000000004
O=C(O)CF,78.042
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,557.054
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,456.6780000000002
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,260.314
CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1,389.6050000000003
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,338.444
FC(F)OC(F)C(F)(F)F,168.03599999999997
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,254.246
COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,396.4390000000002
CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)cc2)cc1,832.0570000000001
CC(C)Oc1ncc(-c2nc(-c3cccc4c3ccn4CCCC(=O)O)no2)cc1Cl,440.8870000000003
CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1,321.46399999999994
C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,507.7370000000003
O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO,366.4680000000001
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,239.315
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,383.4700000000002
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,427.41700000000014
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,285.36499999999995
CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1,242.322
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,365.502
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,437.7790000000001
O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,178.14
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,392.4990000000001
C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,435.44000000000017
CC1(O)CCC(C(C)(C)O)CC1,172.26799999999997
COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1,451.4970000000002
Cc1ccc(-c2cc([C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)on2)cc1,392.93
CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C,478.98800000000034
CCCCCCCCCCCCCCSCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCCCCCC,798.1869999999993
Cl[Te]1(Cl)OCCO1,258.558
CCCCCCCCC(F)CCCC[C@@H]1C[C@H]1CC(=O)O,300.458
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(-c3nnn[nH]3)c2)c1O,466.5050000000001
COCCN1C(=O)O[C@@]2(C[C@H]3O[C@]2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O,536.5440000000003
Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(C)C,286.33500000000004
C=C1CS[C@H]([C@H](NC(=O)CCCC[C@@H](N)C(=O)O)C(=O)O)N=C1C(=O)O,387.414
C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1,392.5430000000002
CCCC[S+](=N)([O-])CC[C@H](N)C(=O)O,222.31
CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,493.5740000000002
Cn1cc(C2=Nc3cc(NC(=O)C(N)C4CCCCC4)cc4c3C2=CNNC4=O)cn1,419.48900000000015
CC(=O)N[C@@H]1[C@@H](COC[C@@H]2O[C@H](C(=O)O)[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](CS(=O)(=O)O)[C@@H](CO)O[C@H]1CO,531.5330000000002
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1CC[C@H]2O1,168.14799999999997
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O,326.44
COc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,685.8549999999999
Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,357.3880000000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CC[Si](C)(C)C)cccc3nc2-1,448.59500000000025
Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)F)n2)ncc1-c1ccnc(C(F)(F)F)c1,490.4610000000001
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2,345.5100000000001
CC(=O)Oc1c(OC(C)=O)c(C=O)c2c(OC(C)=O)c(-c3c(C)cc4c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C=O)c4c3OC(C)=O)c(C)cc2c1C(C)C,770.7840000000001
CCOC(=O)[C@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1,534.6530000000002
C#C[C@]1(O)CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C,316.48500000000007
C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc[n+]2O)[n+]1O)c1cccc(Cl)c1,499.34500000000014
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C,300.48600000000005
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,586.7260000000003
CCCCCC=CCC=CCCCCCCC(O)C(=O)O,296.451
Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCCCCN)c(F)c3)oc2c1F,476.4990000000004
CCNCc1cncc(-c2ccc3c(c2)/C(=C2/N=c4cc(F)cc(F)c4=N2)NN3)c1C,418.4510000000001
CN(C)CC[C@H](NC(=O)c1cc2c(cnn2C(C)(C)C)cc1Oc1ccc(F)cc1F)C(N)=O,473.5240000000002
O=c1[nH]c(C2CCCN2)nc2c1oc1ccc(Cl)cc12,289.72200000000004
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](N2CCC2)C1,425.5360000000002
Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1,680.764
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCC(=O)O)c1ccccc1,614.7430000000005
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)C(CCC(=O)OCCO)=C4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC,790.9140000000003