train_test/test.csv

SMILES,ID,Y,MW
C=CCn1cc2c3c(cccc31)C1C[C@@H](C)CN(C#N)[C@@H]1C2,3519,1,291.17
CC1CC2c3cccc4c3c(cn4C3CCCC3)CC2N(C)C1,3671,1,308.23
C[C@@H]1CC2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1,3758,1,308.23
CCCCCn1cc2c3c(cccc31)[C@H]1C=C(C)CN(C)[C@@H]1C2,3796,1,308.23
CCCn1cc2c3c(cccc31)[C@H]1C=C(C)CN(C)[C@@H]1C2.O=C(O)C(O)C(O)C(=O)O,4388,1,430.21
CCCCCn1cc2c3c(cccc31)[C@H]1C=C(C)CN(C)[C@@H]1C2.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1,4591,1,694.33
CC1CC2c3cc(Br)cc4c3c(cn4CC3CC3)CC2N(C)C1,7629,0,372.12
CC(=O)N/N=C/C1=CN(O)c2ccccc2N1O,2385,1,248.09
CC(C)(C)OC(=O)N/N=C/C1=CN(O)c2ccccc2N1O,3471,1,306.13
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,2386,1,257.1
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,2743,1,293.08
ClC[C@]1(C(Cl)Cl)[C@@H]2CC(Cl)(Cl)[C@@]1(CCl)[C@H](Cl)[C@@H]2Cl,2393,1,409.83
ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C(Cl)C2Cl,6745,0,375.87
CC1C=C(C=O)C(C=O)=CC2(O)CC(C)(C)CC12,2396,1,248.14
C[C@H]1C=C(C=O)C(C=O)=C[C@]2(O)CC(C)(C)C[C@H]12,2452,1,248.14
CC1C=C(C=O)C(C=O)=CC2CC(C)(C)CC12,6734,0,232.15
CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12,6889,0,250.16
CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,2402,1,265.09
CN(N=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,2447,1,265.09
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1,2406,1,246.09
CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1,2474,1,246.09
C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)O)C3,3784,1,314.15
C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC(C)=O)C3,7887,0,356.16
C/C=C/C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,2408,1,248.1
C/C=C/C1=CC(=O)[C@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O,2479,1,248.1
C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,2637,1,282.07
C/C=C(\Cl)C1=CC(=O)[C@@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O,2750,1,282.07
C/C=C(\Cl)C1=C(Cl)C(=O)[C@@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O,3015,1,316.03
N=C1CCC(=N)c2c1c(O)c1ccccc1c2O,2409,1,240.09
CCN(CC)C(=O)/C(Cl)=C(/C)OP(=O)(OC)OC,2413,1,299.07
CCN(CC)C(=O)/C(Cl)=C(\C)OP(=O)(OC)OC,2459,1,299.07
Cn1c([N+](=O)[O-])cnc1[C@H]1NC(CO)(CO)CO1,2427,1,258.1
Cn1c([N+](=O)[O-])cnc1C1NC(CO)(CO)CO1,2485,1,258.1
CCCCCCCCCCSCn1cc[n+](C)c1,2431,1,269.2
CCCCCCCCCCSC[n+]1ccn(C)c1,2753,1,304.17
CCCCCCCCSC[n+]1ccn(C)c1,6800,0,276.14
CCc1cccc(CC)c1N(COC)C(=O)CCl,2446,1,269.12
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,3252,1,311.17
CCOCN(C(=O)CCl)c1c(C)cccc1CC,6986,0,269.12
CCc1cccc(CC)c1N(COC)C(=O)CO,7024,0,251.15
C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl,2460,1,407.81
CC(=O)/N=N/C=C1/C=[N+]([O-])c2ccccc2N1O,2471,1,246.08
COC(=O)/N=N/C=C1/C=[N+]([O-])c2ccccc2N1O,2742,1,262.07
CC(C)(C)OC(=O)/N=N/C=C1/C=[N+]([O-])c2ccccc2N1O,3530,1,304.12
O[B-]1(O)OO[B-](O)(O)OO1,2473,1,308.05
CC1(C)CC2=C(C=O)[C@@]3(C=O)C[C@@]3(C)[C@@H](O)[C@@H]2C1,2477,1,248.14
CC1(C)CC2=C(C=O)C3(C=O)CC3(C)C(O)C2(O)C1,2710,1,264.14
CC1(C)CC2=C(C=O)[C@@]3(C=O)C[C@@]3(C)[C@@H](O)[C@]2(O)C1,2761,1,264.14
CC1(C)CC2=C(C=O)[C@@]3(C=O)C[C@@]3(C)[C@@H](O)[C@@]2(O)C1,2764,1,264.14
CC(=O)O[C@H]1[C@@]2(O)CC(C)(C)CC2=C(C=O)[C@@]2(C=O)C[C@@]12C,3579,1,306.15
CC(=O)OC1C2CC(C)(C)CC2=C(C=O)C2(C=O)CC12C,7383,0,290.15
O=c1ccc2cc3c4c(c2o1)CCCN4CCC3,2509,1,241.11
Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,2858,1,255.13
CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,7666,0,313.13
CC(=O)OCc1cc(C(C)=O)ccc1OC(C)=O,2518,1,250.08
CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1,2534,1,313.04
CC1=C2C(=CC(C)(C)C2O)C(=O)C(C)(O)C12CC2,2568,1,248.14
CC1=C2C(=CC(C)(CO)C2O)C(=O)C(C)(O)C12CC2,2811,1,264.14
NCCCNCCCCN(CCCN)N(O)N=O,2588,1,262.21
ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl,2632,1,405.8
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H](C=C[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl,6725,0,369.82
ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,6777,0,369.82
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl,6911,0,361.88
ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl,6957,0,361.88
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@@H]5O[C@H]45)[C@H]3[C@@]1(Cl)C2(Cl)Cl,7086,0,377.87
ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,7182,0,377.87
CC1c2ccccc2N(C)C2=Nc3ccccc3C21,2644,1,248.13
Cc1ccc2c(c1)C(C)C1C(=Nc3ccccc31)N2C,2915,1,262.15
Cc1ccc2c(c1)C1C(=N2)N(C)c2ccccc2C1C,2930,1,262.15
Cc1cccc2c1N(C)C1=Nc3ccccc3C1C2C,2952,1,262.15
Cc1ccc2c(c1)C(C)C1C(=Nc3ccc(C)cc31)N2C,3417,1,276.16
CC(=O)/C(=N/O)C(=O)N(c1ccccc1)N(C)N=O,2651,1,264.09
CC(=O)/C(=N\O)C(=O)N(c1ccccc1)N(C)N=O,2759,1,264.09
CCC1=C(O)C(=O)c2c(O)c(O)c(O)c(O)c2C1=O,2654,1,266.04
CCC1=C(OC)C(=O)c2c(O)c(OC)c(OC)c(O)c2C1=O,7540,0,308.09
O=C1N[C@@H](c2ccc([N+](=O)[O-])s2)Nc2ccccc21,2656,1,275.04
O=C1NC(c2ccc([N+](=O)[O-])s2)Nc2ccccc21,2722,1,275.04
Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2,2665,1,277.04
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,2717,1,277.04
c1ccc([Sb](c2ccccc2)c2ccccc2)cc1,2711,1,352.02
CCc1c(O)c(O)c2c(c1O)=C(O)C(=O)C(=O)C=2O,2737,1,266.04
O=[N+]([O-])C1=CC2C=C3C(=CC2C=C1)C=C[C@H](O)[C@H]3O,2762,1,259.08
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C,2798,1,256.1
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,7981,0,376.14
CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1,2810,1,288.12
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,7151,0,304.1
CCOP(=S)(OCC)Oc1cnc2ccccc2n1,7163,0,298.05
Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],2830,1,263.09
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,2845,1,249.09
CC(=O)c1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,3330,1,276.09
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,2866,1,262.06
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,2867,1,261.06
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,3647,1,303.13
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,3710,1,319.13
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,3852,1,320.13
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,3914,1,331.13
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,3982,1,333.15
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,4073,1,351.14
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(O)cc3)c(F)c21,4075,1,345.08
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)c(C(=O)O)c3c(=O)ccn1c23,4121,1,361.14
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,4131,1,361.14
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,4154,1,369.13
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,4157,1,359.16
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,4178,1,362.14
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1,4322,1,404.11
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,4333,1,417.13
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,4393,1,453.11
CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,7648,0,318.1
C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,7682,0,318.1
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccncc3)c(F)c21,7808,0,330.08
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,7918,0,361.14
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,7930,0,387.12
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,7937,0,360.15
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,7946,0,359.16
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,8026,0,385.12
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,8134,0,421.1
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,8494,0,740.3
C[C@@H]1[C@H](O)CCC2=CC(=O)[C@@]3([C@H]4O[C@H]4CO)O[C@H]3[C@]21C,2918,1,280.13
CC1C(O)CCC2=CC(=O)C3(C4(CO)CO4)OC3C21C,2972,1,280.13
C[C@H]1[C@H](O)CCC2=CC(=O)[C@]3([C@@]4(CO)CO4)O[C@@H]3[C@@]21C,3017,1,280.13
CCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1Cl,2926,1,357.97
COP(=O)(OC)O/C(=C\Br)c1ccc(Cl)cc1Cl,6874,0,373.89
COP(=O)(OC)O/C(=C/Br)c1ccc(Cl)cc1Cl,6966,0,373.89
COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl,7071,0,363.9
COP(=O)(OC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl,7118,0,363.9
CCOP(=O)(OCC)O/C(=C\Br)c1ccc(Cl)cc1Cl,7204,0,401.92
CCOP(=O)(OCC)O/C(=C/Br)c1ccc(Cl)cc1Cl,7273,0,401.92
COC(=O)/C(Cl)=C(\OP(=O)(OC)OC)c1cc(Cl)ccc1Cl,7499,0,387.94
COC(=O)/C(Br)=C(\OP(=O)(OC)OC)c1ccc(Cl)cc1Cl,7538,0,431.89
COC(=O)/C(Cl)=C(/OP(=O)(OC)OC)c1cc(Cl)ccc1Cl,7584,0,387.94
COC(=O)/C(Br)=C(/OP(=O)(OC)OC)c1ccc(Cl)cc1Cl,7585,0,431.89
N=c1cc2oc3cc(N)ccc3nc-2c2ccccc12,2938,1,261.09
O=C1C(c2[nH]c3ccccc3c2O)=Nc2ccccc21,2939,1,262.07
O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21,8036,0,421.99
C=C1C(=O)O[C@@H]2C[C@H](C)[C@H]3C[C@@H](O)O[C@@H](O)[C@]3(C)C[C@H]12,2942,1,282.15
C=C1C(=O)O[C@@H]2C[C@H](C)[C@H]3C[C@@H](OCC)O[C@@H](OCC)[C@]3(C)C[C@H]12,3876,1,338.21
C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@@]2(C)[C@H](O)C[C@H](O)C[C@H]12,2962,1,282.18
CC(C)NC[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1,2963,1,279.16
CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,2991,1,279.16
ClC1C=Cc2cc3c4c(ccc5cccc(c54)C=3)c2=C1,3027,1,274.05
CCOC(=O)c1c2c(nn[n+]1[O-])c1ccccc1n2C,3056,1,272.09
Cn1c(CC(=O)OCCCl)c(C(=O)O)c2ccccc21,3085,1,295.06
Cn1c2ccccc2c2nn[n+]([O-])c(C(=O)OCCCl)c21,3360,1,306.05
CCOC(=O)Cc1c(C(=O)O)c2ccccc2n1C,7175,0,261.1
ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl,3144,1,469.69
ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl,5839,0,269.81
CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=O)C(C)(C)CCC1,3184,1,284.21
CC1=C(/C=C\C(C)=C/C=C\C(C)=C/CO)C(C)(C)CCC1,3218,1,286.23
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)CCC1,4524,1,536.44
CC(=O)/C=C\C1=C(C)CCCC1(C)C,6268,0,192.15
CC(=O)/C=C/C1=C(C)CCCC1(C)C,6340,0,192.15
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,7747,0,328.24
CC1=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)(C)CCC1,8202,0,416.31
CC1=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)(C)CCC1,8216,0,416.31
COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,8264,0,446.32
COC(=O)/C(C)=C/C=C/C(C)=C\C=C/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C,8276,0,446.32
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,8360,0,524.46
CCCCCCCCCCCCCCCC(=O)OCC=C(C)/C=C\C=C(C)/C=C/C1=C(C)CCCC1(C)C,8364,0,524.46
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)CCC1,8394,0,536.44
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)C(=O)CCC2(C)C)C(C)(C)CCC1=O,8410,0,564.4
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)C(=O)CCC2(C)C)C(C)(C)CCC1=O,8417,0,564.4
C[C@H](COc1ccccc1)N(CCCl)Cc1ccccc1,3210,1,303.14
CC(COc1ccccc1)N(CCCl)Cc1ccccc1,3502,1,339.12
COCC1C=C2c3cccc4c3c(cn4C)CC2N(C)C1,3229,1,282.17
COC[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,3264,1,282.17
C#CCc1ccc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)o1,3232,1,286.16
C#CCc1ccc(COC(=O)C2C(C=C(C)C)C2(C)C)o1,3260,1,286.16
C=CCC1=C(C)[C@H](OC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1=O,3469,1,302.19
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O,3492,1,302.19
CC(C)=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C,3898,1,331.18
CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,4096,1,350.19
CC(C)=CC1C(C(=O)O)C1(C)C,5950,0,168.12
CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C,5997,0,168.12
CCOC(=O)C1C(C=C(C)C)C1(C)C,6379,0,196.15
C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)/C(C)=C/CC,7254,0,274.19
CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C,7882,0,338.19
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1,7916,0,390.08
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,7941,0,349.17
CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl,7952,0,390.08
CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,8061,0,375.18
CC1(C)[C@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br,8073,0,502.97
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,8092,0,415.07
CC1(C)[C@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C(Br)C(Br)(Br)Br,8187,0,660.81
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,8191,0,419.13
O=c1n(C[C@H]2CO2)c(=O)n(C[C@H]2CO2)c(=O)n1C[C@H]1CO1,3249,1,297.1
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1,3255,1,297.1
CC(=O)NSc1c2cc(O)ccc2nc2ccc(O)cc12,3280,1,300.06
CCCCCC(O)CC(=O)CCC1CCC(O)C(OC)C1,3294,1,300.23
C1=CC2=C3OC3=C3c4ccc5ccccc5c4CC(=C1)C23,3302,1,268.09
C1=CC2=C3OC3=C3c4c(ccc5ccccc45)CC(=C1)C23,3303,1,268.09
c1cc2c3c(c1)=C1OC1C=3Cc1cc3ccccc3cc1-2,3304,1,268.09
CCOC(=O)C1(CCCCCCOCc2cccs2)CO1,3317,1,312.14
C1=c2ccccc2=C2Cc3ccccc3C3=C4OC4=C1C32,3334,1,268.09
COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2,3353,1,284.1
CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1,3433,1,317.11
CCc1c(O)ccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3,3443,1,303.15
CCc1cc(O)cc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3,3448,1,303.15
CCOC(=O)CC1OCCc2c1[nH]c1c(CC)cc(O)cc21,3523,1,303.15
CCOC(=O)CC1OCCc2c1[nH]c1c(CC)c(O)ccc21,3524,1,303.15
CCc1cccc2c3c([nH]c12)C(C)(CC)OCC3,7002,0,243.16
CCC1(CC(=O)O)OCCc2c1[nH]c1c(C)cccc21,7198,0,273.14
CC[C@@]1(CC(=O)O)OCCc2c1n(C)c1ccccc21,7233,0,273.14
CCOC(=O)CC1OCCc2c1[nH]c1c(C)cccc21,7275,0,273.14
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,7473,0,287.15
CCC1(CC(=O)O)OCCc2c1[nH]c1c(C(C)O)cccc21,7527,0,303.15
CCOC(=O)CC1OCCc2c1[nH]c1c(C(C)O)cccc21,7581,0,303.15
CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.[Cr+3],3491,1,352.1
COC(C)C(O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C,3503,1,313.19
C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)OC)C(C)(C)O)[C@H]12,4294,1,411.23
C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)([C@@H](C)OC)C(C)(C)O)[C@H]12,4307,1,411.23
OCC1=CCN2CC[C@@H](O)[C@@H]12,5735,0,155.09
C/C=C(\C)C(=O)OC1CCN2CC=C(CO)C12,6728,0,237.14
CC(C)C(O)(C(=O)OCC1CCN2CCCC12)C(C)O,7211,0,285.19
CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O,7399,0,299.17
COc1cccc2c1CC([N+](=O)[O-])c1ccc3c(c1-2)OCO3,3553,1,299.08
CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,3577,1,329.14
COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,7436,0,331.1
O=[N+]([O-])c1ccc(-c2nc(NCCO)c3ccccc3n2)s1,3643,1,316.06
O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)s1,3900,1,342.08
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)s1,4083,1,360.09
OCCN(CCO)c1nc(-c2cccs2)nc2ccccc12,7548,0,315.1
OC1C2=C(C3OC3C1O)C1c3cccc4cccc(c34)C1C=C2,3650,1,304.11
OC1=c2c(O)cc3cccc4ccc(c2c43)C23CCCCC12O3,3660,1,304.11
OC1=C(O)C23CCCCC2(O3)c2cc3ccc4ccccc4c3nc21,7833,0,331.12
Cn1cc(CC2(O)C(=O)CC3C(O)COC32O)c2ccccc21,3678,1,317.13
Cn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21,3747,1,319.11
O=C1OC2C(O)COC2(O)C1(O)Cc1c[nH]c2ccccc12,7546,0,305.09
O=C1OC2C(O)COC2(O)[C@@]1(O)Cc1c[nH]c2ccccc12,7573,0,305.09
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,3686,1,320.13
Cc1ccc2c(c1O)NC(O)C1CC(/C=C/C(N)=O)=CN1C2=O,3694,1,315.12
C=C(C)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1,3703,1,307.12
C=C(C)C1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1,3737,1,307.12
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3,3978,1,323.12
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CCl)O3,4041,1,359.09
CC(=O)OC1C2OC2C2=CC(=O)C3(CC2(C)C1C)OC3(C)C=O,3705,1,320.13
CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)C=O,3740,1,320.13
ClC(Cl)(Cl)c1nc(-c2ccc3c(c2)OCO3)nc(C(Cl)(Cl)Cl)n1,3727,1,432.85
CC(OP(=O)(OC(C)C(Br)CBr)OC(C)C(Br)CBr)C(Br)CBr,3797,1,733.63
COC(=O)C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C(C)N1N=O,3803,1,318.1
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,3820,1,321.13
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3,3830,1,318.22
C=C1C(=O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3,3904,1,332.2
C=C1C(=O)[C@]23CCC4[C@](C)(CCC[C@@]4(C)C(=O)O)C2CC[C@@]1(O)C3,3935,1,332.2
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1O)C3,4450,1,480.27
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3,7531,0,302.22
C[C@@]12CCC3[C@@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=O)C2,7659,0,318.22
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O,7662,0,318.22
CC1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3,7668,0,320.24
CC1(C(=O)O)CCCC2(C)C3CCC4(O)CC3(CCC12)CC41CO1,7730,0,334.21
C=C1C(O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3,7772,0,334.21
C=C1C[C@@]23CCC4[C@@](C)(CCC[C@@]4(C)C(=O)O)C2CCC1(OC(C)=O)C3,7893,0,360.23
C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3,8444,0,642.33
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3,8501,0,788.38
CC1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N(C)C)cc2)O1,3855,1,303.14
c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,3860,1,296.13
COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,4077,1,326.14
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O,4102,1,342.14
COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1,4196,1,356.15
COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC,4229,1,356.15
Cc1ccc(-c2nc(-c3ccc(C)cc3C)[nH]c2-c2ccc(C)cc2)cc1,4231,1,352.19
COc1ccc(-c2nc(-c3ccc(C)cc3C)[nH]c2-c2ccc(OC)cc2)cc1,4317,1,384.18
COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1,4323,1,386.16
COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc1OC,4326,1,384.18
C=C1C/C(=C/C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,3877,1,333.16
C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23,4003,1,351.17
C=C1C/C(=C/C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(O)CO)[C@H]23,4012,1,349.15
C/C=C1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O,4124,1,366.19
C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,4134,1,365.18
CC1CC2(OC2C)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)O)C2=O,4194,1,381.18
CC1CC2(OC2C)C(=O)OC2CCN(C)C/C=C(/COC(=O)C1(C)O)C2=O,4210,1,381.18
C=C/C1=C/C(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O,4279,1,406.19
C/C=C1/CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,4296,1,407.19
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)C23O,4301,1,406.19
C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,4312,1,407.19
C/C=C1/CC(C)C(C)(OC(C)=O)C(=O)OCC2=C3C(CC[N+]3(C)C=C2)OC1=O,4419,1,450.21
C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,7630,0,325.15
C=C1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C(C)C1C)C23,7763,0,335.17
C/C=C1\CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23,7767,0,335.17
C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,7785,0,333.16
C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23,7884,0,367.16
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,3880,1,334.13
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,3912,1,334.13
CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc1ccccc1,3881,1,327.18
CC(C)(C)N(Cc1ccccc1)CC(O)c1ccc(O)c(CO)c1,3906,1,329.2
CCCC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,3886,1,324.15
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,7727,0,308.15
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,7778,0,324.15
CC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1,3905,1,318.16
Cn1c(-c2ccccc2)c(N=Nc2scc[n+]2C)c2ccccc21,3909,1,333.12
Cn1c(-c2ccccc2)c(/N=N/c2scc[n+]2C)c2ccccc21,4030,1,368.09
C1=CC2=C3OC3c3cc4c(cc3C2C=C1)c1c(c2ccccc24)O1,3928,1,308.08
CC(C)(C)C1=CC(=O)C=C(C2=CC(=O)C=C(C(C)(C)C)C2=O)C1=O,3947,1,326.15
COC1=CC(=O)C(=O)C(C(C)(C)C)=C1,6417,0,194.09
CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O,8248,0,434.32
Cc1ccc(C(O)(P(=O)(O)O)P(=O)(O)O)cc1N(CCCl)CCCl,3988,1,421.0
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,3991,1,340.16
CC[N+]([O-])(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,4100,1,372.15
CCN(CC)CCNc1ccc(COS(C)(=O)=O)c2sc3ccccc3c(=O)c12,4299,1,434.13
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,4351,1,452.14
CCN(CC)CCNc1ccc(COC(=O)c2ccco2)c2sc3ccccc3c(=O)c12,4406,1,450.16
CC(=O)C1=C(O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O,3998,1,336.15
CCN(CC)CCn1nc2ccc(C)c3c2c1Sc1cc(Cl)ccc1-3,4011,1,371.12
CCN(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2,4103,1,387.12
CCN(CC)CCn1nc2ccc(CO)c3c2c1Sc1cc(Cl)ccc1-3,4104,1,387.12
CC[N+]([O-])(CC)CCn1nc2c3c(c(CO)ccc31)Sc1cc(Cl)ccc1-2,4190,1,403.11
C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1,4067,1,333.17
CC#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1,4166,1,347.19
C#C[C@@](OC(=O)NC1CCCCC1)(c1ccccc1)c1ccc(C)c(C)c1,4188,1,361.2
C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccc(C)c(C)c1,4205,1,361.2
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O,4098,1,348.06
O=C1c2c(O)ccc3c2C(c2ccc(O)c4c2C3C2OC2C4=O)C2OC12,4122,1,348.06
O=C1CC[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)[C@H](O)CC3=O,4125,1,352.09
O=C1C[C@H](O)[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)CCC3=O,4142,1,352.09
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2C1OC1C3=O,4144,1,348.06
O=C1c2c(O)ccc3c2[C@H](c2ccc(O)c4c2[C@H]3[C@H]2O[C@H]2C4=O)[C@H]2O[C@@H]12,4145,1,348.06
O=C1CCC2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1C2C1OC1C3=O,4165,1,350.08
C[C@@H](Nc1[nH]cnc2nc(-c3ccc(CCl)cc3)cc1-2)c1ccccc1,4110,1,362.13
CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,4116,1,358.18
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,7915,0,358.18
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,7939,0,360.19
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,8045,0,392.2
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,8053,0,392.2
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,8408,0,578.36
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=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,8415,0,578.36
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,4133,1,375.12
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,7829,0,339.15
C/C=C/C(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)CC(C)(C)C,4140,1,364.16
CN1CCN(c2cc3c(cc2F)n2c(=O)[nH]c(=O)cc2n3C2CC2)CC1,4161,1,357.16
CN1CCN(c2cc3c(cc2F)n2c(=O)n(O)c(=O)cc2n3C2CC2)CC1,4224,1,373.16
Cc1cc(-c2cc3c(cc2F)n2c(=O)[nH]c(=O)cc2n3C2CC2)cc(C)n1,4225,1,364.13
Cc1cc(-c2cc3c(cc2F)n2c(=O)n(O)c(=O)cc2n3C2CC2)cc(C)n1,4276,1,380.13
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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O,4290,1,398.1
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O,4309,1,398.1
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O,4331,1,414.1
CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC,4334,1,412.12
CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,4361,1,412.12
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O,4362,1,414.1
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O,4473,1,497.17
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)[C@H](I)[C@H](O)[C@@H]1O,4476,1,612.05
CC1OC(OC2CC(O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C(I)C(O)C1O,4484,1,612.05
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(O)cccc1C3=O,4485,1,513.16
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@H]1O,4486,1,513.16
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(O)cccc1C3=O,4490,1,513.16
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O,4491,1,533.15
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1,4495,1,527.18
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)CC(C)O1,4498,1,527.18
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)O1,4499,1,527.18
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O,4500,1,549.14
CC1OC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)CC(N)C1O,4501,1,549.14
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,4505,1,543.17
CN[C@H]1C[C@@H](O[C@H]2C[C@@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@@H]1O,4506,1,541.19
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)O1,4511,1,543.17
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)O1,4512,1,543.17
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)O1,4513,1,563.16
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[C@H](C)O1,4514,1,563.16
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)C)[C@@H](O)[C@H](C)O1,4520,1,555.21
CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4522,1,557.19
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N)C(O)C(C)O1,4527,1,579.15
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)O1,4530,1,579.15
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(OC)C(C)O1,4532,1,557.19
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C(OC1CC(N(C)C)C(O)C(C)O1)CC(O)(C(=O)CO)C3,4534,1,571.21
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC,4536,1,569.23
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,4540,1,569.23
COc1ccc(O)c2c1C(=O)c1c(cc3c(c1O)C(OC1CC(N(C)C)C(O)C(C)O1)CC(O)(C(C)=O)C3)C2=O,4543,1,591.19
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,4545,1,585.22
CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4547,1,585.22
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)C)[C@H](O)[C@H](C)O1,4548,1,607.18
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N2CCOCC2C#N)C(O)C(C)O1,4565,1,622.22
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,4573,1,645.23
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccccc1)C[C@@H]3OC1CC(N)C(O)C(C)O1,4576,1,645.23
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](OC(CC(C)O)OC(C)C=O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O,4577,1,657.24
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,4584,1,715.28
CCC1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4590,1,715.28
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC,4611,1,811.34
CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,4614,1,811.34
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]4O[C@@H](C)C(O)=CC4=N)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4615,1,840.33
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,4616,1,845.35
CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4619,1,845.35
CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(O[C@@H]4O[C@@H](C)C(=O)C=C4N)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,4620,1,840.33
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCOC[C@H]2C#N)[C@H](O)[C@H](C)O1,8449,0,638.21
CCN(CC)c1ccc(-c2ccccc2)c(-c2ccccc2)c1N(CC)CC,4252,1,372.26
O=[N+]([O-])c1ccc(C2OCC3(CO)COC(c4ccc([N+](=O)[O-])cc4)N23)cc1,4270,1,387.11
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,4281,1,643.71
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,4382,1,689.69
O=C(O)c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12,8209,0,881.63
Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,4287,1,382.23
Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,4627,1,1152.55
CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O,4327,1,415.16
CC(/C=C\C=C(/C)C(=O)C12O[C@H]1[C@](O)(CCO)NC2=O)=C\C(C)=C\C1=CCOC1=O,4367,1,415.16
C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC,4377,1,431.19
CC=C(/C=C(C)\C=C(C)/C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC,4387,1,431.19
COC(=O)C(=C\CO)/C=C(C)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O,4404,1,447.19
COC(=O)C(=CCO)/C=C(C)\C=C(C)/C=C\C=C(/C)C(=O)[C@]12O[C@@H]1C(O)(CCO)NC2=O,4421,1,447.19
O=S1(=O)OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br,4336,1,679.68
Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O,8104,0,410.12
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21,8140,0,665.7
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,8286,0,977.34
C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12,4338,1,398.2
C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12,4418,1,470.15
CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2,4339,1,424.21
CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2,4350,1,424.21
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,4370,1,422.19
COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)OC,4342,1,408.23
N#Cc1ccc(C[C@@]23C[C@H](N=[N+]=[N-])CN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1,4343,1,440.06
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,4347,1,410.26
CC(=O)OCc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)cc(O)c(C=O)c1O2,4354,1,416.07
CCN(CCC#N)c1cc(NC(C)=O)c(-n2nc3c(Br)cc(N)c(Cl)c3n2)cc1OC,4396,1,505.06
COCCN(CCOC)c1cc(NC(C)=O)c(-n2nc3c(Br)cc(N)c(Cl)c3n2)cc1OC,4441,1,540.09
O=C1C=C(c2nnc(NC(=O)c3ccccc3)s2)C(O)=C/C1=N\c1ccc([N+](=O)[O-])cc1,4405,1,447.06
O=C1C=C(c2nnc(NC(=O)c3ccccc3)s2)C(=O)C=C1Nc1ccc([N+](=O)[O-])cc1,4422,1,447.06
CC(=O)Oc1cc(C=O)cc2c1C(COC(N)=O)C1(OC(C)=O)ON2CC2C1N2C(C)=O,4423,1,447.13
O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1,4425,1,452.24
O=c1c2ccc3c4c(ccc(c24)c2nc4ccccc4n12)c(=O)n1c2ccccc2nc31,4426,1,412.1
CC(=O)OCC12CC(OC(=O)CC(C)C)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2,4428,1,466.22
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O,7352,0,296.13
CC1=C[C@@H]2O[C@H]3[C@@H](O)C[C@@](C)([C@]2(CO)[C@@H](O)C1=O)[C@@]31CO1,7429,0,296.13
CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(CO)C(O)C1=O,7498,0,312.12
CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@H](O)[C@@](C)([C@]2(CO)[C@@H](O)C1=O)[C@]31CO1,7572,0,312.12
CC(=O)O[C@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@@]21CO1,7823,0,354.13
CC(=O)O[C@@H]1[C@@H](O)C2OC3C=C(C)C(=O)[C@@H](O)C3(CO)C1(C)C21CO1,7857,0,354.13
CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2,7903,0,366.17
C=C(C)[C@H]1C=C2C(COC(=O)CCCCCCCCCCCCCCCCC)=CC=C2C(C)=CC1,4457,1,480.4
C=C(C)C1C=C2C(COC(=O)CCCCCCCCCCCCCCCCC)=CC=C2C(C)=CC1,4466,1,480.4
CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)c1C,4465,1,493.14
O=C1CC2NCCCNCCCCN(CCCN1)C(=O)C1c3cc2ccc3OC1c1ccc(O)cc1,4478,1,492.27
O=C1C[C@@H]2NCCCNCCCCN(CCCN1)C(=O)[C@@H]1c3cc2ccc3O[C@H]1c1ccc(O)cc1,4481,1,492.27
COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O,4487,1,506.14
COC1=C(OC)C(=O)/C(=C2\C(C)=C(C(=O)O)NC(c3ccc4c(n3)C(=O)C(N)=C(OC)C4=O)=C2N)C=C1,4489,1,506.14
CO[C@@H]1C[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@H]1O,4510,1,541.19
CO[C@H]1C[C@](C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O,4515,1,541.19
CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O,4521,1,581.27
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,4526,1,581.27
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,4629,1,1456.43
CN1CCN(c2ccc3nc(CCc4ccc5nc(-c6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1,4525,1,575.23
CN1CCN(c2ccc3nc(CCCc4ccc5nc(-c6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1,4541,1,589.25
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1,8232,0,424.2
CCN(CCCl)c1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1,8348,0,513.24
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(N(CCCl)CCCl)cc6)nc5c4)nc3c2)CC1,8358,0,547.2
CN1CCN(c2ccc3[nH]c(Cc4ccc5[nH]c(-c6ccc(N(CCCl)CCCl)cc6)nc5c4)nc3c2)CC1,8374,0,561.22
CN1CCN(c2ccc3[nH]c(CCCCCCc4ccc5[nH]c(-c6ccc(N(CCCl)CCCl)cc6)nc5c4)nc3c2)CC1,8437,0,631.3
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)[C@@H](N)Cc1ccc(F)cc1,4533,1,628.21
CCOC(=O)[C@H](CCSC)CC(=O)C(Cc1cccc(N(CCCl)CCCl)c1)NC(=O)C(N)Cc1ccc(F)cc1,4549,1,663.19
CCOC(=O)[C@@H](C[C@](C)(C[C@@H](C[C@@](C)(C[C@H](C)C(=O)OCC)C(=O)O)C(=O)OCC)C(=O)O)C[C@](C)(CC)C(=O)O,4538,1,588.31
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,4568,1,656.16
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC,8168,0,414.13
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,8173,0,414.13
COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,8413,0,588.18
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)c1O,8418,0,588.18
N=C1C=CC2=C(S(=O)(=O)O)C=CC(=O)C2=C1NNc1ccc(-c2ccc(NNC3=C4C(=O)C=CC(S(=O)(=O)O)=C4C=CC3=N)cc2)cc1,4583,1,730.09
COc1cc2c(cc1O)CCN[C@]21CSC2c3c(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)OCO4,4599,1,761.26
COc1cc2c(cc1O)CCNC21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1C(O)C3Cc5cc(C)c(OC)c(O)c5C([C@H]21)N3C)OCO4,4601,1,761.26
Clc1cc(Cl)c2c(c1Cl)C1=NC2/N=C2\[N-]C(/N=C3/N=C(/N=c4/c5c(Cl)c(Cl)c(Cl)c(Cl)c5/c(n4[Cu+])=N\1)c1c(Cl)c(Cl)c(Cl)c(Cl)c13)c1c(Cl)c(Cl)c(Cl)c(Cl)c12,4606,1,1086.51
Clc1c(Cl)c(Br)c2c(c1Cl)/C1=N/c3c4c(Cl)c(Br)c(Cl)c(Br)c4c4n3[Cu]n3/c(c5c(Cl)c(Br)c(Cl)c(Br)c5/c3=N\C3=N/C(=N/4)c4c(Cl)c(Cl)c(Br)c(Cl)c43)=N/C2=N1,4608,1,1382.15
COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1,4612,1,816.17
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(I)cc2)cc1,7960,0,470.01
CCCOc1cc(-c2cc(OCCC)c(N/N=C(\C(C)=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2OC)c(OC)cc1N/N=C(\C(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,4621,1,826.29
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCc3c[nH]cn3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,4630,1,1405.51
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCc3cnc[nH]3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,4631,1,1405.51
Cc1c(N)nc([C@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc1C(=O)N[C@@H](C(=O)N[C@H](C)[C@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCN=C(N)N)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)c1c[nH]cn1,4632,1,1424.56
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1,4633,1,1512.49
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@H](C)c3ccccc3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)c1c[nH]cn1,4634,1,1472.58
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3cnc[nH]3)C(C)O)n2)n1,4635,1,1481.64
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCCN(CCCCN=C(N)N)C(=N)N)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,4636,1,1537.65
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,4637,1,1570.55
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCNC(=N)CC3CCC(Cl)CC3)cs2)cs1)[C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,4638,1,1582.64
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCC/N=C(\N)CC3CCC(Cl)CC3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,4639,1,1582.64
Cc1c(N)nc(C(CNCC(N)C(N)=O)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCN(C)CCCNC(=N)CC3CCC(Cl)CC3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,4640,1,1596.66
C/N=C(/CC1CCC(Cl)CC1)NCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)c3cnc[nH]3)C(C)O)n2)n1,4641,1,1596.66
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN(C)CCCN(Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1,4642,1,2043.85
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN(C)CCC(N(C)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)N(C)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,4643,1,2058.86
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)O)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,8566,0,1312.44
C=CCO,4646,0,58.04
CC(C)S,4648,0,76.03
CC(=N)S,4652,0,75.01
CNC=O,4655,0,59.04
CC(F)F,4657,0,66.03
[Zr+4],4661,0,175.84
[Zr+4],5526,0,283.9
[Fe+3],4662,0,160.84
[Fe+3],4847,0,153.91
OB(O)O,4664,0,62.02
OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O,7421,0,327.11
[Ga+3],4665,0,173.83
[Ga+3].[Ga+3],4753,0,185.84
[Ga+3],6154,0,254.89
C[SiH](Cl)Cl,4666,0,113.95
CON,4668,0,83.01
[V+3],4669,0,154.85
NC(N)=S,4670,0,76.01
NC(=S)NNC(N)=S,5056,0,150.0
CN=C=O,4674,0,57.02
C=COC,4678,0,58.04
C=CCN,4682,0,57.06
CC1CS1,4685,0,74.02
CSSC,4689,0,93.99
COC=O,4693,0,60.02
C/C=C/CC,4702,0,70.08
[O-][Cl+3]([O-])([O-])O,4706,0,99.96
[O-][Cl+3]([O-])([O-])O,4969,0,140.96
CCN=C=S,4711,0,87.01
C1CCCC1,4713,0,70.08
C1CCCCC1,4828,0,84.09
C[Si](C)(C)O,4718,0,90.05
O[Si](O)(O)O,4736,0,95.99
C[Si](C)(C)O,4855,0,97.07
C[Pb](C)(C)C,4726,0,268.07
[O-][Cl+2]([O-])O,4741,0,106.95
[Sn+2],4742,0,225.86
O=[Si](O)O,4744,0,117.94
O=[Si](O)O,4960,0,149.93
O=[Si](O)O.O=[Si](O)O,5495,0,205.92
O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.O=[Si](O)O,7117,0,383.86
CC=C(Cl)Cl,4746,0,109.97
S=[S-2].[Ni][Ni][Ni+2],4747,0,237.75
F[B-](F)(F)F,4748,0,88.01
[Sb+3].[Sb+3],4751,0,289.79
O.O,4754,0,243.86
CN(C)C#N,4760,0,70.05
c1ccsc1,4761,0,84.0
CC(F)(F)F,4762,0,84.02
CC(C)(C)O,4782,0,74.07
CC(C)(O)C#N,4866,0,85.05
CC(C)(C#N)C(C)(C)C#N,5577,0,136.1
CC(C)(C#N)N=NC(C)(C)C#N,5897,0,164.11
CC(C)(C#N)/N=N/C(C)(C)C#N,5979,0,164.11
c1cc[nH]c1,4790,0,67.04
c1ccoc1,4795,0,68.03
c1c[nH]cn1,4797,0,68.04
N=C(N)S(=O)O,4798,0,108.0
Nc1nc[nH]n1,4800,0,84.04
C/C=C(/C)C#N,4803,0,81.06
C/C=C(\C)C#N,4856,0,81.06
FC(F)=C(F)F,4807,0,99.99
FC(F)=C(F)Cl,4912,0,115.96
O/N=C/C=N/O,4808,0,88.03
Cc1c[nH]cn1,4809,0,82.05
FC(F)(F)CCl,4814,0,117.98
FCC(F)(F)F,4889,0,102.01
FC(F)(F)CC(F)(F)F,5280,0,152.01
ClCC(CCl)(CCl)CCl,5400,0,207.94
CCN(N)CC,4816,0,88.1
C=CC1(C)CO1,4825,0,84.06
C=C(C)C1CO1,4826,0,84.06
O=C1C=CCO1,4829,0,84.02
Nc1ncn[nH]1,4834,0,84.04
[O-][S+]([O-])CO,4837,0,117.97
Cl[Sb](Cl)(Cl)(Cl)Cl,4841,0,295.75
[Fe+2],4842,0,153.9
N#CN=C(N)N,4843,0,84.04
Cl/C=C/[As](Cl)Cl,4851,0,205.84
Cc1cnc[nH]1,4853,0,82.05
CO[P+](=O)OC,4854,0,109.0
[Pb+2],4857,0,305.94
C/C=C/CC#N,4869,0,81.06
c1ccccc1,4870,0,78.05
CCC(C)C=O,4871,0,86.07
Cc1ccsc1,4872,0,98.02
Cn1cccc1,4879,0,81.06
Cc1ncc[nH]1,4880,0,82.05
CC1CCCO1,4885,0,86.07
CC(C)CC=O,4890,0,86.07
C=CC(C)C#N,4897,0,81.06
C1=CCCCC1,4898,0,82.08
C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.[Ni],6792,0,274.12
C=C1CC(=O)O1,4900,0,84.02
CC1CCCC1,4908,0,84.09
Cc1cccs1,4913,0,98.02
CC[Si](Cl)(Cl)CC,4917,0,155.99
C[N+](C)(C)CCO,4920,0,104.11
C[N+](C)(C)CCO,5077,0,139.08
BrC(Br)C(Br)(Br)Br,4923,0,419.6
O=C1C=CCCC1,4929,0,96.06
CNC(=S)N(C)C,4935,0,118.06
Nc1nnc(S)s1,4936,0,132.98
NC1CCCCC1,4946,0,99.1
NC1CCCC(N)C1,5053,0,114.12
N[C@H]1CC[C@H](N)CC1,5075,0,114.12
NC1CCC(N)CC1,5094,0,114.12
N[C@@H]1CCC[C@H](N)C1,5100,0,114.12
N[C@H]1CC[C@H](C[C@H]2CC[C@H](N)CC2)CC1,6443,0,210.21
NC1CCC(CC2CCC(N)CC2)CC1,6499,0,210.21
O=[Sb+]([O-])O[Sb+](=O)[O-],4948,0,321.78
O=PO.O=PO.[Mn+2],4952,0,182.88
[W+6],4953,0,284.0
C=CC[Si](C)(C)C,4958,0,114.09
CC1C=CC(=O)O1,4962,0,98.04
C/C=C/C1OC(=O)C=CC1O,5725,0,154.06
C/C=C/[C@@H]1OC(=O)C=C[C@@H]1O,5773,0,154.06
Nc1n[nH]c(=S)s1,4963,0,132.98
[Pd+2],4964,0,323.71
[Pd+2],4965,0,279.83
CC(C)(CO)CO,4976,0,104.08
CC(CO)(CO)CO,5078,0,120.08
CN1CCCC1=O,4977,0,99.07
C=CN1CCCC1=O,5181,0,111.07
CN1CCCN(C)C1=O,5215,0,128.09
CC(C)NC(C)C,4984,0,101.12
O=S1(=O)CCCC1,4986,0,120.02
O=C1CSC(=S)N1,4991,0,132.97
NCCS(=O)(=O)O,4999,0,125.01
O=S1(=O)CC=CC1,5002,0,118.01
OC1CCCCC1,5008,0,100.09
CC1=CCC(=O)O1,5016,0,98.04
C=CCNCC=C,5017,0,97.09
N#CSCSC#N,5023,0,129.97
CCC(C)(C)OC,5033,0,102.1
NCCc1c[nH]cn1,5038,0,111.08
Oc1ccnc(O)n1,5039,0,112.03
C=C[C@@H]1CC=CCC1,5041,0,108.09
C=CC1CC=CCC1,5079,0,108.09
C[N+](C)(C)CC(=O)O,5043,0,118.09
N#C/C(N)=C(\N)C#N,5054,0,108.04
N#C/C(N)=C(/N)C#N,5093,0,108.04
Oc1cc(O)ncn1,5063,0,112.03
C[N+]1(C)CCOCC1,5065,0,116.11
C[N+]1(C)CCOCC1,5285,0,151.08
CCNC(=S)NCC,5070,0,132.07
CSC(C)(C)/C=N\O,5073,0,133.06
CSC(C)(C)/C=N/O,5085,0,133.06
CNC(=O)O/N=C\C(C)(C)SC,5928,0,190.08
CNC(=O)O/N=C/C(C)(C)SC,5985,0,190.08
Oc1ccc(O)nn1,5076,0,112.03
CC(O)CC(C)(C)O,5082,0,118.1
C=C(C)CC(C)(C)C,5087,0,112.13
NCCc1cnc[nH]1,5088,0,111.08
CC[Ge](Cl)(CC)CC,5091,0,196.01
CC[Pb](Cl)(CC)CC,5092,0,330.06
C/N=C(\N)N[N+](=O)[O-],5095,0,118.05
C[As+](C)(C)CC(=O)O,5098,0,179.0
O=C1CC(=O)C1=O,5103,0,136.96
O=C1CC(=O)C1=O,5104,0,120.99
C1CN2CCN1CC2,5113,0,112.1
ClC(Cl)(Cl)C(Cl)(Cl)Cl,5126,0,233.81
CNCCS(=O)(=O)O,5127,0,139.03
O=c1nc[nH]c(=O)[nH]1,5130,0,113.02
Clc1ccc(Cl)nc1,5137,0,146.96
CC(C)OP(C)(=O)F,5141,0,140.04
CC(OP(C)(=O)Cl)C(C)(C)C,5702,0,198.06
CC(OP(C)(=O)F)C(C)(C)C,5798,0,182.09
CN(C)C(=N)N(C)C,5142,0,115.11
CC(=O)CC(C)(C)O,5143,0,116.08
COC(C)(C)CC(C)=O,5355,0,130.1
O=CC1C=COC=C1,5149,0,110.04
COC(F)(F)C(Cl)Cl,5150,0,163.96
C=CCSSCCC,5152,0,148.04
O=c1c(O)c(O)c1=O,5155,0,114.0
O=C1CCCCCN1,5166,0,113.08
CC1=C(O)C(=O)CC1,5183,0,112.05
CC(=O)n1ccnc1,5185,0,110.05
O=C(n1ccnc1)n1ccnc1,6028,0,162.05
Cc1cnc(S)nc1O,5189,0,142.02
C/C=C1\C[C@@H]2C=C[C@H]1C2,5190,0,120.09
C/C=C1\CC2C=CC1C2,5304,0,120.09
CN(C)C1CCCCC1,5192,0,127.14
C=CCCC(C=O)CC,5195,0,126.1
CCCC[C@H](C=O)CC,5265,0,128.12
CCCCC(C=O)CC,5278,0,128.12
CCC/C=C(\C=O)CC,5204,0,126.1
CCC/C=C(/C=O)CC,5402,0,126.1
Cc1cc(O)nc(S)n1,5213,0,142.02
CCCc1cc(O)nc(S)n1,5655,0,170.05
O=C(O)C1OC1C(=O)O,5217,0,132.01
O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,6173,0,194.04
Oc1ncc(F)c(O)n1,5222,0,130.02
OC[PH](CO)(CO)CO,5233,0,156.06
c1ccc2[nH]ccc2c1,5238,0,117.06
Oc1ccc2[nH]ccc2c1,5473,0,133.05
O=C=NC1CCCCC1,5239,0,125.08
C(=NC1CCCCC1)=NC1CCCCC1,6574,0,206.18
Cc1nnc(O)nc1O,5241,0,127.04
NC1(C(=O)O)CCCC1,5246,0,129.08
Oc1nc(Cl)nc(Cl)n1,5247,0,164.95
CC/C=C/[C@H](C=O)CC,5263,0,126.1
ON1CN(Cl)CN(Cl)C1,5264,0,171.0
NC1=N[C@H](C(=O)O)CS1,5266,0,146.01
Cc1cc(=O)[nH]c(=S)[nH]1,5270,0,142.02
CCO[Si](C)(C)OCC,5271,0,148.09
CCO[Si](C)(OCC)OCC,5876,0,178.1
C=C[Si](OCC)(OCC)OCC,5961,0,190.1
CCO[Si](OCC)(OCC)OCC,6168,0,208.11
[O-][S+]([O-])O[S+]([O-])[O-],5281,0,189.9
[Pd+4],5284,0,349.77
[Pd+4],5296,0,393.64
CCC(O)OC(O)CC,5286,0,134.09
O=c1[nH]cc(F)c(=O)[nH]1,5287,0,130.02
Cc1c[nH]c(=S)[nH]c1=O,5290,0,142.02
Cc1n[nH]c(=O)[nH]c1=O,5291,0,127.04
[Be+2],5292,0,132.99
[Ni+2],5306,0,235.94
[Ni+2],6001,0,263.97
C[Si](C)(C)O[Si](C)(C)C,5316,0,162.09
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,6210,0,236.11
C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,6760,0,310.13
C[Si](C)(C)N[Si](C)(C)C,5327,0,161.11
O=c1[nH]c(=O)[nH]c(=O)[nH]1,5331,0,129.02
O=c1[nH]c(=O)[nH]c(=O)[nH]1,5506,0,152.01
C=CC1CC2C=CC1C2,5343,0,120.09
NC(=O)N/N=C/C(=O)O,5350,0,131.03
O=C1CC2SCC=CN12,5352,0,141.02
S=C1SSC2=NCCN12,5384,0,175.95
N#CC1(O)CCCCC1,5386,0,125.08
CC(C)N=C=NC(C)C,5399,0,126.12
C=C1CCC2CC1C2(C)C,5404,0,136.13
C=C1CC[C@H]2C[C@@H]1C2(C)C,5510,0,136.13
CCC[C@@H](O)[C@@H](CC)CO,5412,0,146.13
CCCC(O)C(CC)CO,5488,0,146.13
C=C[C@@H]1CC[C@@]2(C)O[C@H]2C1,5421,0,138.1
C=C(C)C1CCC2(C)OC2C1,5710,0,152.12
Oc1nsc2ccccc12,5422,0,151.01
N1=NC2C3OC3C1C1OC21,5423,0,138.04
N1=NC2[C@@H]3O[C@@H]3C1[C@H]1O[C@@H]21,5525,0,138.04
C=C1[C@H]2CC[C@H](C2)C1(C)C,5427,0,136.13
C=C1C2CCC(C2)C1(C)C,5484,0,136.13
CC(C)[C@H]1CC[C@H](C)CC1,5428,0,140.16
CC1CCC(C(C)C)CC1,5490,0,140.16
N[C@@H]1C[C@H]1c1ccccc1,5432,0,133.09
N[C@@H]1CC1c1ccccc1,5517,0,133.09
O=C(O)/C=C/c1c[nH]cn1,5434,0,138.04
O=C(O)/C=C/c1cnc[nH]1,5513,0,138.04
C1CC[C@H]2CCCC[C@@H]2C1,5435,0,138.14
C1CCC2CCCCC2C1,5487,0,138.14
SC(S)=N/C=C/N=C(S)S,5440,0,209.94
O=C(C(F)(F)F)C(F)(F)F,5441,0,165.99
O=C(C(F)(F)F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F,7678,0,386.0
N#CCC[C@](Br)(C#N)CBr,5446,0,263.89
N#CCCC(Br)(C#N)CBr,5499,0,263.89
CCCC[C@H](CC)C(=O)O,5447,0,144.12
CCCC(CCC)C(=O)O,5468,0,144.12
CCCCC(CC)C(=O)O,5493,0,144.12
C[C@@H](CCN(C)C)N(C)C,5453,0,144.16
CC(CCN(C)C)N(C)C,5489,0,144.16
C=C(C)[C@@H]1CC=C(C)CC1,5457,0,136.13
C=C(C)[C@H]1CC=C(C)CC1,5497,0,136.13
CC1=CCC(C(C)(C)O)CC1,5648,0,154.14
C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,5687,0,152.12
C=C(C)[C@@H]1CC=C(C)C(=O)C1,5708,0,150.1
C=C(C)C1CC=C(C=O)CC1,5729,0,150.1
C=C(C)C1CC=C(C)C(O)C1,5744,0,152.12
C=C(C)[C@H]1CC=C(C)C(=O)C1,5759,0,150.1
CC1=CC[C@H](C(C)(C)O)CC1,5766,0,154.14
C=C(C)[C@H]1CC=C(C)[C@@H](OC(C)=O)C1,6286,0,194.13
Nc1nc2ncnc-2c[nH]1,5459,0,135.05
Oc1[nH]cnc2nncc1-2,5461,0,136.04
CC(Br)C(=O)NC(C)(C)C,5465,0,207.03
C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,5466,0,132.09
C1=CC2C3C=CC(C3)C2C1,5483,0,132.09
COP(=O)(NC(C)=O)SC,5472,0,183.01
CC1CCC2CC1C2(C)C,5477,0,138.14
On1nnc2ccccc21,5480,0,135.04
On1nnc2ccccc21,5769,0,152.07
CC1=CCC2CC1C2(C)C,5485,0,136.13
CC1=CC[C@H]2C[C@@H]1C2(C)C,5609,0,136.13
CC1=CC=C(C(C)C)CC1,5491,0,136.13
C=CC[N+](C)(C)CC=C,5498,0,161.1
O=c1[nH]c2ccccc2o1,5500,0,135.03
S=c1[nH]c2ccccc2[nH]1,5504,0,150.03
S=c1[nH]c2ccccc2s1,5516,0,166.99
O=C1C=CC(=O)CC(=O)C1,5511,0,138.03
O=c1ncnc2[nH][nH]cc1-2,5518,0,136.04
CCCCO[C@@H](CC)CO,5522,0,146.13
Oc1c(Br)cc(Br)cc1Br,5539,0,327.77
N#Cc1cc(Br)c(O)c(Br)c1,5860,0,274.86
Brc1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1,6895,0,621.54
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,7174,0,446.81
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,7446,0,539.76
Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,7610,0,681.56
O=P(O)(O)Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O,7619,0,577.68
Cc1ncc2c(n1)CCC2,5559,0,134.08
N#CC(C#N)=C(C#N)C#N,5570,0,128.01
N#CC1=C(C#N)SCCS1,5574,0,167.98
CC1=CC(=O)CC(C)(C)C1,5587,0,138.1
CCN1CCNC(=O)C1=O,5588,0,142.07
O=C(O)CNCP(=O)(O)O,5613,0,169.01
FC(F)(F)C(F)(F)C(Cl)Cl,5622,0,201.94
OC(C(F)(F)F)C(F)(F)F,5624,0,168.0
O=NN1CSCC1C(=O)O,5628,0,162.01
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl,5642,0,196.94
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl,5972,0,219.93
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl,5993,0,235.9
O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl,6006,0,230.9
O=c1[nH]c(=O)n(Cl)c(=O)n1Cl,6345,0,255.95
Cc1coc2c1CCC(C)C2,5652,0,150.1
NC(=O)CN1C[C@H](O)CC1=O,5659,0,158.07
NC(=O)CN1CC(O)CC1=O,5763,0,158.07
CC1=CC(O)C2CC1C2(C)C,5668,0,152.12
CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,5757,0,152.12
C[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)C=O,5671,0,163.08
CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2,5676,0,152.12
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,5756,0,152.12
CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,5682,0,152.12
CC1(C)C(=O)[C@]2(C)CC[C@H]1C2,5771,0,152.12
O=C1C=C2C(=CCO[C@H]2O)O1,5685,0,154.03
CC1(C)C2CCC3(CO3)C1C2,5686,0,152.12
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,5692,0,152.12
CC12CCC(C(=O)C1=O)C2(C)C,6058,0,166.1
[O-][n+]1cccc2ccccc21,5693,0,145.05
[O-][n+]1cccc2cccc(O)c21,5945,0,161.05
[O-][n+]1ccccc1[S-2].[O-][n+]1ccccc1[S-2],6795,0,315.93
Nc1nc(O)c2[nH]nnc2n1,5696,0,152.04
C=C[C@](C)(O)CCC=C(C)C,5697,0,154.14
CC(=O)N=C1C=CC(=O)C=C1,5698,0,149.05
CCC(Cl)CC(Cl)CC(C)Cl,5716,0,216.02
CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl,6647,0,345.94
CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl,6655,0,345.94
CC(C)=CCC1CCCC1=O,5717,0,152.12
CC1(C)O[C@]2(C)CC[C@H]1CC2,5718,0,154.14
CC12CCC(CC1)C(C)(C)O2,5748,0,154.14
CC1(C)C2CC3OC3(C)C1C2,5720,0,152.12
O=C1NC(=O)[C@@H]2CC=CC[C@H]12,5721,0,151.06
CC(C)=CCCC(C)CCO,5726,0,156.15
CC(C)=CCCC(C)CC=O,5793,0,154.14
CC(C)[C@](O)(C(=O)O)[C@@H](C)O,5732,0,162.09
C1=C2CCCC(=CC3OC13)O2,5736,0,150.07
C1=C2CCCC(=C[C@@H]3OC13)O2,5774,0,150.07
O=C1C(Cl)=C(Cl)C(=O)C1(Cl)Cl,5737,0,231.87
CC1=CCC(O)(C(C)C)CC1,5749,0,154.14
C=C[Si](C)(C)N[Si](C)(C)C=C,5750,0,185.11
O=c1[nH]ncc2ccccc12,5755,0,146.05
S=C(S)NCCNC(=S)S.[Mn+2],5761,0,266.89
S=C(S)NCCNC(=S)S,5880,0,275.89
S=C(S)NCCNC(=S)S.S=C(S)NCCNC(=S)S.[Mn+2],7561,0,542.78
C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,5762,0,391.78
Nc1nc2[nH][nH]nc-2c(=O)n1,5767,0,152.04
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe],5775,0,195.91
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr],6169,0,219.91
[Cu+2],5776,0,250.95
CC(O)CN1CC(C)OC1=O,5787,0,159.09
CC(C)=C1CC[C@@H](C)CC1=O,5820,0,152.12
CCc1cc(C(N)=S)ccn1,5825,0,166.06
CC1(C)C(=O)N(Cl)C(=O)N1Cl,5827,0,195.98
CN(C)P(=O)(N(C)C)N(C)C,5845,0,179.12
CC1(C)C2CCC1(C)C(O)C2,5856,0,154.14
O=C1NC(=O)C(O)(O)C(=O)N1,5865,0,160.01
C[C@@H](O)CCC(=O)c1ccoc1,5881,0,168.08
CC(O)CCC(=O)c1ccoc1,5998,0,168.08
C[PH]1(C)N[PH](C)(C)N[PH](C)(C)N1,5883,0,231.12
Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl,5884,0,287.86
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,5988,0,287.86
O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](O)C1,5887,0,174.05
Cc1ncc(CO)c(CO)c1O,5899,0,169.07
C[C@H](CS)[C@@H]1CC[C@@H](C)[C@H](S)C1,5911,0,204.1
CC1CCC(C(C)CS)CC1S,5974,0,204.1
O=C(O)CCCC[C@@H]1CCSS1,5912,0,206.04
c1ccc(N2CCNCC2)cc1,5925,0,162.12
c1ccc(N2CCNCC2)cc1,6164,0,198.09
C=CC(=O)N1CCN(c2ccccc2)CC1,6676,0,216.13
C1CCC2CC3(CCC2C1)CO3,5931,0,166.14
CC1(C)CC(N)CC(C)(CN)C1,5933,0,170.18
CC1(C)CC(N)CC(C)(CN)C1.Cc1ccc(S(=O)(=O)O)cc1,7688,0,342.2
CC(C)(N)[C@H]1CC[C@@](C)(N)CC1,5937,0,170.18
CC1(N)CCC(C(C)(C)N)CC1,5963,0,170.18
CCC(Br)(CC)C(=O)NC(N)=O,5938,0,236.02
CC(=O)c1c(O)cc(C)oc1=O,5946,0,168.04
CC(C)(C)C1CCC2(CC1)CO2,5947,0,168.15
BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1,5951,0,423.77
BrCC(Br)C1CCC(Br)C(Br)C1,5973,0,423.77
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,5967,0,222.06
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,6637,0,296.08
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,7244,0,370.09
O=C=NCCCCCCN=C=O,5968,0,168.09
ClNc1nc(NCl)nc(NCl)n1,5982,0,227.95
[S-2],5991,0,240.05
O=C1N=NC(=O)C2C=CC=CC12,5992,0,162.04
CP1(C)=NP(C)(C)=NP(C)(C)=N1,5995,0,225.07
CC1=C(C)C(=O)C(C)=C(C)C1=O,6011,0,164.08
Brc1c(Br)c(Br)c(Br)c(Br)c1Br,6015,0,545.51
Cc1c(Br)c(Br)c(Br)c(Br)c1Br,6060,0,481.62
Oc1c(Br)c(Br)c(Br)c(Br)c1Br,6062,0,483.59
Cc1c(C)c(Br)c(Br)c(Br)c1Br,6077,0,417.72
Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,7720,0,949.18
S=c1scc(-c2ccccc2)s1,6016,0,209.96
COP(=O)(OC)N1CCOCC1,6033,0,195.07
C=CC(=O)NC(C)(C)CC(C)=O,6034,0,169.11
Fc1c(F)c(F)c(Cl)c(F)c1F,6037,0,201.96
Fc1c(F)c(Cl)c(F)c(Cl)c1F,6070,0,217.93
CC1=Nc2ccccc2C1(C)C,6050,0,159.1
CCSC(=O)N1CCCCCC1,6051,0,187.1
ClC1C(Br)C(Br)C(Br)C(Br)C1Br,6053,0,507.61
CC1(O)CC2CCC1(C)C2(C)C,6054,0,168.15
CCCN(CCC)C(=O)SCC,6055,0,189.12
CC(C)CC1NC(=O)CNC1=O,6061,0,170.11
COC(=O)C1O/C(=N\O)C(Cl)=C1Cl,6089,0,224.96
O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](O)C1,6097,0,192.06
C=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6098,0,273.87
Cl/C=C/c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6323,0,307.83
CCCCC(S)(CCC)CCCC,6106,0,202.18
CC1(C)C=C(C(=O)O)C(C)(C)N1O,6107,0,185.11
N=C(N)c1cc2ccc(Br)cc2[nH]1,6113,0,236.99
N=C(N)c1ccc2cc(C(=N)N)[nH]c2c1,6465,0,201.1
N=C(N)c1ccc2c(N)c(C(=N)N)[nH]c2c1,6585,0,216.11
N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1,7384,0,277.13
N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3s2)cc1,7442,0,294.09
N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1,7694,0,349.09
CC1CCCC2(C)CCCCC12O,6115,0,182.17
C[C@H]1CCC[C@]2(C)CCCC[C@@]12O,6174,0,182.17
Cn1c(=O)c2nc[nH]c2n(C)c1=O,6116,0,180.06
Cn1c(=O)c2[nH]cnc2n(C)c1=O,6158,0,180.06
Cn1cnc2c1c(=O)[nH]c(=O)n2C,6243,0,180.06
Cn1c(=O)c2c(ncn2C)n(C)c1=O,6421,0,194.08
CC1(C)SSCC(C(=O)O)NC1=O,6122,0,221.02
CN1CC=C(c2ccccc2)CC1,6124,0,173.12
O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,6126,0,191.04
O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O,6161,0,191.04
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],6720,0,236.03
C1C[C@H](O[C@H]2CC[C@@H]3O[C@@H]32)[C@H]2O[C@@H]12,6139,0,182.09
CC(C)C(C)(C)C(C)(C)C(C)(C)S,6155,0,202.18
CC1=CC2CC1C1C(=O)OC(=O)C21,6162,0,178.06
CC(=O)C1C(=O)C=C(C)OC1=O,6167,0,191.03
NC(N)=C1C=c2ccc(Br)cc2=N1,6172,0,236.99
N=C(N)c1ccc2c(c1)=NC(=C(N)N)C=2,6516,0,201.1
N=C(N)c1ccc2c(c1)=NC(=C(N)N)C=2N,6658,0,216.11
CC1=CC(C)(C)Nc2ccccc21,6208,0,173.12
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2,6719,0,217.15
Cc1cc(Cl)ccc1/N=C/N(C)C,6225,0,196.08
Cc1ccc(/N=C/N=C/N(C)c2ccc(C)cc2C)c(C)c1,7524,0,293.19
Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,7563,0,293.19
CC1=NN(c2ccccc2)C(=O)C1,6233,0,174.08
Cc1c(-c2cnccn2)ssc1=S,6236,0,225.97
COC(=O)C1=C(C)C(C)(O)OC1=O,6247,0,186.05
NCCNC(=O)c1ccc(Cl)cn1,6256,0,199.05
CCc1c(Br)c(Br)c(Br)c(Br)c1Br,6259,0,495.63
CCO[P@](=S)(CC)Sc1ccccc1,6260,0,246.03
C[N+]1([O-])CC=C(c2ccccc2)CC1,6278,0,189.12
Nc1nc2c(s1)CCC1NCCCC21,6279,0,209.1
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O,6280,0,260.02
N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,6282,0,263.88
CCC(C)C1NC(=O)C(C(C)=O)=C1O,6308,0,197.11
CCC(C)C1NC(O)=C(C(C)=O)C1=O,6343,0,197.11
CC[C@H](CO)NCCN[C@H](CC)CO,6309,0,204.18
CCC(CO)NCCNC(CC)CO,6652,0,276.14
CN(C)CCN1C=CN(C)C1/C=N/O,6310,0,198.15
CN(C)CCCN1C=CN(C)C1/C=N/O,6447,0,212.16
C#CCOCCN1C=CN(C)C1/C=N/O,6451,0,209.12
CN1C=CN(CCS(C)(=O)=O)C1/C=N/O,6496,0,233.08
C#CCOCCN1C=CN(C)/C1=C\N=O,6659,0,242.07
CN(C)CCN1C=CN(C)/C1=C\N=O,6660,0,267.08
CN1C=CN(CCS(C)(=O)=O)/C1=C\N=O,6661,0,266.04
C#CCOCCN1C=CC=C/C1=C/N=O,6662,0,239.06
CN(C)CCCN1C=CN(C)/C1=C\N=O,6802,0,282.1
CCC(CCOCN1C=CN(C)C1/C=N/O)[N+](=O)[O-],7081,0,272.15
CN1C=CN(COCCC(C)(C)[N+](=O)[O-])C1/C=N/O,7089,0,272.15
CN1C=CN(COCCC(C)(C)[N+](=O)[O-])/C1=C\N=O,7279,0,305.1
CCC(CCOCN1C=CN(C)/C1=C\N=O)[N+](=O)[O-],7280,0,305.1
CN1C=CN(CCC[n+]2ccc(C(N)=O)cc2)C1/C=N/O,7354,0,290.16
NC(=O)c1cc[n+](COCN2C=CC=C/C2=C\N=O)cc1,7692,0,357.05
CN1C=CN(CCC[n+]2ccc(C(N)=O)cc2)/C1=C\N=O,7698,0,358.08
CCC(C)(OO)OOC(C)(CC)OO,6334,0,210.11
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Pt+2],6349,0,508.92
[Cd+2],6350,0,355.95
CCCCCCCCn1sccc1=O,6354,0,213.12
O=c1[nH]c(=O)n(C2CCCO2)cc1F,6362,0,200.06
Clc1cccc(Cl)c1NC1=NCCN1,6372,0,229.02
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,6378,0,345.89
O=C1C=CC(=O)C(c2ccccc2)=C1,6383,0,184.05
CCc1cccc2c(CCO)c[nH]c12,6385,0,189.12
CC(=O)N1CNC(=O)N(C(C)=O)C1=O,6397,0,199.06
CC1=CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@H]2C1,6448,0,204.19
CC1=CC[C@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1,6504,0,204.19
CC1=CC[C@@H]2C(C)=CC[C@H](C(C)(C)C)[C@H]2C1,6599,0,218.2
Nc1cnn(-c2ccccc2)c(=O)c1Cl,6450,0,221.04
N=C(N)N=C(N)NCCc1ccccc1,6452,0,205.13
C#CCOCC[n+]1ccccc1/C=N/O,6462,0,205.1
NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/O)cc1,7348,0,288.12
C=C1CC/C=C(/C)CC[C@@H]2[C@H]1CC2(C)C,6467,0,204.19
C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,6503,0,204.19
CCOC(=O)C[n+]1csc2ccccc21,6472,0,222.06
CCC(=O)/C=C/C1C(C)=CCCC1(C)C,6477,0,206.17
CC(CC=O)c1ccc(C(C)(C)C)cc1,6486,0,204.15
CN(C)c1nc(N(C)C)nc(N(C)C)n1,6491,0,210.16
c1ccc2c(c1)CCC1CCCC3OC213,6493,0,200.12
CC(C)C(=O)OCC(C)(C)C(O)C(C)C,6502,0,216.17
C.C.C.C.C.C,6510,0,284.09
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+4].[N-]=O,6512,0,261.93
Cl/C=C(/Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6514,0,341.79
Cl/C=C(\Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6573,0,341.79
ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6685,0,375.75
CCC(C(N)=O)(C(N)=O)c1ccccc1,6517,0,206.11
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,6520,0,283.86
O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21,6527,0,459.66
CC(=O)C1(c2ccccc2)CCNCC1,6524,0,203.13
COc1ccc2c(CBr)cc(=O)oc2c1,6537,0,267.97
CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1,6780,0,295.97
CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2,6542,0,202.06
ClC(Cl)=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,6549,0,341.79
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,6570,0,206.17
O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,6588,0,477.67
C[N+]([O-])=NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,6590,0,236.1
CCCCCCCCSCN1C=CN(C)C1,6602,0,242.18
O=C1CCC(C(=O)N2CSCC2C(=O)O)N1,6616,0,244.05
O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1,6645,0,244.05
Cc1nc(O)c(C#N)cc1-c1ccncc1,6618,0,211.07
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,6643,0,211.07
CC1(C)C[C@@H](N=C=O)C[C@](C)(CN=C=O)C1,6632,0,222.14
CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1,6638,0,222.14
O=c1c2ccccc2[se]n1-c1ccccc1,6642,0,274.98
CC1(C)CON(Cc2ccccc2Cl)C1=O,6644,0,239.07
CC1=c2[nH]c3c(c2CCN1)C=CC(=O)C=3,6653,0,236.07
CNC(=S)N/N=C/C(C)=N/NC(=S)NC.[Cu+2],6656,0,309.0
O=C(O)C1Cc2c([nH]c3ccccc23)CN1,6664,0,216.09
CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21,6822,0,230.11
O=C(O)C1Cc2c([nH]c3ccccc23)C(CO)N1,7015,0,246.1
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1,7611,0,292.12
O=C(O)C1Cc2c([nH]c3ccccc23)C(Cc2ccccc2O)N1,7799,0,322.13
O=C(O)CCCCC1SCC2NC(=O)NC21,6666,0,244.09
CCOP(C)(=O)SCCN(C(C)C)C(C)C,6681,0,267.14
CNNCc1ccc(C(=O)NC(C)C)cc1,6691,0,221.15
CNNCc1ccc(C(=O)NC(C)C)cc1,6790,0,257.13
CC(C)N1C(=O)c2ccccc2NS1(=O)=O,6699,0,240.06
CCCCc1cc(C)cc(CCCC)c1O,6712,0,220.18
Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,6713,0,240.09
COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,6716,0,320.89
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,6977,0,348.93
CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,6980,0,332.95
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,6737,0,296.96
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O,6823,0,294.95
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,6755,0,248.08
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,6756,0,233.14
COC(=O)C(c1ccccc1)C1CCCCN1,6963,0,269.12
CC(=O)C1(C)OC12C(=O)C=Cc1ccccc12,6758,0,228.08
CC(=O)C1(C)OC12C=Cc1ccccc1C2=O,6766,0,228.08
CC1(C)CCCC2(C)C(C=O)C(C=O)=CCC12,6759,0,234.16
CC1(C)CCCC2(C)C1CCC1(C)C(C=O)C(C=O)=CCC12,7525,0,302.22
CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C2CC=C(C=O)C(C=O)C12C,8203,0,428.29
C/C=C/c1cc2c(c(=O)o1)C(=O)C(O)C(C)O2,6764,0,236.07
C/C=C/c1cc2c(c(=O)o1)C(=O)[C@@H](O)[C@H](C)O2,6794,0,236.07
Cc1cc(C(=O)NNCc2ccccc2)no1,6776,0,231.1
O=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1,6831,0,233.05
ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,6838,0,393.8
COc1ccc2[nH]cc(CCNC(C)=O)c2c1,6842,0,232.12
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O,7010,0,248.12
CC(=O)C1=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1,6847,0,234.16
CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,6849,0,230.09
NC(=O)C12OC1C(O)(c1ccccc1)NC2=O,6857,0,234.06
CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,6866,0,331.96
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,6872,0,265.11
CC(CC1=C(C=O)COC1O)C1=CCC(C)(C)C1,6873,0,250.16
CC[C@@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,6878,0,289.03
CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,6947,0,289.03
Nc1nc(O)c2ncn(C3C=CC(CO)C3)c2n1,6882,0,247.11
Nc1nc(=O)c2ncn(C3C=CC(CO)C3)c2[nH]1,6973,0,247.11
CC1(c2ccccc2)C(=O)c2ccccc2N1O,6883,0,239.09
CC1(c2ccccc2)/C(=N/c2ccccc2)c2ccccc2N1O,7754,0,314.14
CCOC1=CC(c2ccccc2)(c2ccccc2)N(O)c2ccccc21,7905,0,343.16
ON1c2ccccc2/C(=N\c2ccccc2)C1(c1ccccc1)c1ccccc1,8105,0,376.16
CC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)C2(C)C,6892,0,244.18
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C,6944,0,244.18
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C,7126,0,258.2
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)C2C(C)C,7153,0,258.2
OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O,6901,0,267.13
OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,6972,0,267.13
CN[PH]1(NC)N[PH](NC)(NC)N[PH](NC)(NC)N1,6903,0,321.18
CCOP(=S)(OCC)Oc1ccc([S+](C)[O-])cc1,6904,0,308.03
Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br,6905,0,635.65
C=C1C(=O)OC2C1CCC(C)C1C=CC(=O)C12C,6912,0,246.13
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1C=CC(=O)[C@@]21C,6964,0,246.13
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@]3(C)[C@@H](O)[C@H]12,7049,0,262.12
C[C@@H]1C[C@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](O[C@]3(C)O)[C@@]2(C)C(=O)C=C[C@@H]12,7510,0,306.15
C=C1C(=O)OC2CC3(C)C(CCC(C)=O)C3CC12,6916,0,248.14
CCC[C@](C)(COC(N)=O)COC(=O)NC(C)C,6918,0,260.17
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,6946,0,260.17
CC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,6920,0,409.83
ClCC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,7047,0,443.79
CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1,6922,0,238.15
CCOC(=O)Nc1cccc2c1CN(C)CC2c1ccc(Cl)cc1,7861,0,380.11
CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\C(=O)O,7953,0,354.16
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,6935,0,242.09
CC(C)=CCC1=C(O)c2ccccc2C(=O)C1=O,6962,0,242.09
CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O,6936,0,250.08
CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(=C(O)O)C1=O,6965,0,250.08
CNP1(NC)=NP(NC)(NC)=NP(NC)(NC)=N1,6948,0,315.14
BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,6953,0,635.65
Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12,6956,0,267.04
Brc1ccc(-c2ccc(Br)c(Br)c2Br)c(Br)c1Br,6960,0,621.54
NC[C@H]1CCCN1.O=C(O)C1(C(=O)O)CCC1.[Pt+2],6971,0,439.11
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,6981,0,257.12
CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1,6987,0,246.1
CC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12,6992,0,258.04
Cc1cccc(C)c1NC(=O)CN1CCCC1=O,6996,0,246.14
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,6997,0,559.63
O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO,7006,0,261.1
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O,7007,0,249.11
CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C,7008,0,244.18
ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(C(Cl)Cl)CC2(Cl)Cl,7026,0,443.79
C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O,7032,0,262.13
C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,7265,0,285.12
CN(C)CCOC(c1ccccc1)c1ccccc1,7034,0,255.16
Cc1ccccc1[C@H](OCCN(C)C)c1ccccc1,7200,0,269.18
CN(C)CCOC(c1ccccc1)c1ccccc1,7263,0,291.14
O=S1OC[C@H]2[C@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,7048,0,403.82
O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,7096,0,403.82
O=S1OC[C@@H]2[C@H](CO1)C1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,7113,0,403.82
O=S1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,7119,0,403.82
CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,7050,0,266.19
CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,7085,0,266.19
CCCCCCCCCC/C=C/C1CC(=O)OC1=O,7109,0,266.19
CCCCCCCCC/C=C/CC1CC(=O)OC1=O,7110,0,266.19
C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,7053,0,276.12
C#CC/N=C(\NC#N)NCCSCc1nc[nH]c1C,7277,0,312.09
C[C@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@H](C)OCC3,7056,0,258.2
CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C,7125,0,258.2
Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C,7064,0,266.13
CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C,7447,0,294.12
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-],7487,0,297.1
CCOC(=O)Nc1cccc2c3c[nH]ccc-3nc12,7066,0,255.1
CC(O)C1C(=O)N2C(C(=O)O)=C(C3CCCO3)SC12,7069,0,285.07
C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@@H]3CCCO3)C[C@@H]12,7281,0,290.1
O=C(O)[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl,7070,0,385.82
O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,7091,0,385.82
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,7077,0,273.06
CCc1cccc2cc([C@H](O)CNC(C)(C)C)oc12,7083,0,261.17
CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,7276,0,297.15
CCN(CC)C(=S)SC1OC(CO)C(O)C(O)C1O,7087,0,311.09
CCN(CC)C(=S)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,7104,0,311.09
O=[N+]([O-])N(c1ccccn1)S(=O)(=O)c1ccccc1,7098,0,279.03
ClC1C2(Cl)C3C4C5OC5C5C4C1(Cl)C(Cl)(C53)C2(Cl)Cl,7103,0,377.87
COc1ccc2c(c1)=NC1=C(C)NCCC=21,7114,0,286.11
[La+3],7115,0,432.93
O=C(O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,7146,0,361.89
O=C(O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,7875,0,477.86
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,8229,0,513.97
c1ccc2c(c1)OCCOCCOCCOCCO2,7156,0,268.13
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,7157,0,258.06
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,7166,0,268.12
Nc1nc(-c2ccccc2)c(CCO)c2ncnn12,7170,0,255.11
CCOCCc1c(-c2ccccc2)nc(N)n2ncnc12,7471,0,283.14
CC1(C)CC(C(=O)NC(CO)C(O)CO)C(C)(C)[N+]1=O,7190,0,289.18
C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C,7194,0,284.13
CNCCCN1c2ccccc2CCc2ccccc21,7311,0,266.18
CC(CN1c2ccccc2Sc2ccccc21)N(C)C,7411,0,320.11
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,7437,0,318.1
CN(C)CCCN1c2ccccc2CCc2ccccc21,7470,0,280.19
CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C,7196,0,297.16
CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C,7983,0,442.12
CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,7202,0,270.16
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,7253,0,270.16
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O,7278,0,270.16
O=C(O)C1CSC(c2ccccc2O)N1C(=O)CCS,7207,0,313.04
O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS,7257,0,313.04
CSCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O,7339,0,327.06
C[S+]([O-])CCC(=O)N1C(C(=O)O)CSC1c1ccccc1O,7502,0,343.05
O=C(O)C1CSC(c2ccccc2O)N1C(=O)CCSSCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O,8388,0,624.07
C[C@H]1C[C@@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1,7209,0,281.16
C[C@@H]1C[C@@H](C(O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1,7261,0,281.16
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,7210,0,322.01
O=C(O)CCC(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1,7961,0,422.03
O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,8069,0,445.02
CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,7220,0,300.05
C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,7258,0,300.05
CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1,7229,0,270.17
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,8064,0,388.2
CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C,7240,0,275.16
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,7250,0,275.16
CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)c1ccccc1O,7928,0,356.17
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,8180,0,413.2
CCN(C)C(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O,8246,0,441.23
C1CCC(C(C[C@H]2CCCCN2)C2CCCCC2)CC1,7242,0,277.28
c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1,7243,0,368.02
CNCCC=C1c2ccccc2CCc2ccccc21,7248,0,263.17
CN(C)CC/C=C1\c2ccccc2COc2ccccc21,7368,0,279.16
CN(C)CC/C=C1/c2ccccc2COc2ccccc21,7416,0,279.16
CN(C)CCC=C1c2ccccc2CCc2ccccc21,7467,0,277.18
CN(C)CCc1cc(O)ccc1CNc1ccccn1,7256,0,271.17
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1,7282,0,310.11
CCC1=C(c2ccc(O)cc2)C(C)c2cc(O)ccc21,7283,0,266.13
CCC1C(c2ccc(O)cc2)=C(C)c2cc(O)ccc21,7307,0,266.13
CCOP(=O)(OCC)Oc1cc(-c2ccccc2)on1,7292,0,297.08
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,7294,0,274.08
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,7296,0,292.1
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,7299,0,272.07
Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1,7300,0,268.15
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,7332,0,323.05
Cc1cccc(C)c1Nc1cc(Cl)nc(SCC(=O)NCCO)n1,7762,0,366.09
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5,7335,0,285.14
COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,7520,0,299.15
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,7759,0,329.16
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,7986,0,397.13
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1,7342,0,316.16
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O,8127,0,432.17
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,7369,0,278.18
COc1cc(O)c2c(c1)C1=CC(O)C(O)CC1(C)OC2=O,7373,0,292.09
COc1cc(O)c2c(c1)C1=C[C@H](O)[C@@H](O)C[C@]1(C)OC2=O,7426,0,292.09
O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,7375,0,485.68
OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,7448,0,487.7
ClC1(Cl)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@]1(Cl)[C@]53Cl)[C@]24Cl,7549,0,539.63
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,7560,0,539.63
CCCCCCCCCCCCCN1CC(C)OC(C)C1,7381,0,297.3
CN1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1,7385,0,296.13
CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,7569,0,332.11
CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,7387,0,314.14
CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,7577,0,350.12
CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3,7393,0,326.04
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3,7412,0,326.04
N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].[Pt+4],7423,0,620.74
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,7444,0,320.01
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21,7450,0,290.14
CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21,7451,0,366.99
CCOP(=O)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-],7461,0,316.12
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,7476,0,330.01
Cc1cc(C)n(-c2[nH]nc(NN)c3c4ccccc4nc2-3)n1,7489,0,293.14
Cc1cc(C)n(-c2nnc(NN)c3c2[nH]c2ccccc23)n1,7699,0,329.12
C=C1CCC2C(c3c(C)c(O)c4c(c31)C(=O)C(C)C4)C2(C)C,7492,0,296.18
C=C1CCC2C(c3c(C)c(O)c4c(c31)C(=O)[C@@H](C)C4)C2(C)C,7578,0,296.18
CC1CC2(C)C(CCC3C4CCC(O)C4(C)CCC32)CC1=O,7495,0,304.24
C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)CC1=O,7556,0,304.24
CC1=C(O)C(O)=C(C2=C(O)C(O)=C(C)C(=O)C2=O)C(=O)C1=O,7503,0,306.04
O=c1oc2cccc(O)c2cc1[C@@H]1CCc2ccccc2C1,7509,0,292.11
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,7512,0,337.02
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1,7516,0,303.05
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1,7684,0,338.02
CN1[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12,7518,0,303.15
CN1[C@H]2CC(OC(=O)C(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12,7921,0,437.1
Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,7536,0,302.08
Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2,7552,0,302.08
CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,7545,0,302.22
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,7559,0,302.22
C=C(C)C1CCC(=C)C2C3=C(CC(C)C3=O)C(=O)C(C)=CC12,7550,0,296.18
C=C(C)C1CCC(=C)C2C3=C(C[C@@H](C)C3=O)C(=O)C(C)=C[C@@H]12,7582,0,296.18
C=C(C)C1CCC(=C)C2C3=C(C[C@H](C)C3=O)C(=O)C(C)=C[C@@H]12,7583,0,296.18
C=C(C)C1CCC(=C)C2C3=C(CC(C)(O)C3=O)C(=O)C(C)=CC12,7638,0,312.17
C=C(C)C1CCC(=C)C2C3=C(C[C@](C)(O)C3=O)C(=O)C(C)=C[C@@H]12,7695,0,312.17
C=C(C)C1CCC(=C)C2C3=C(C[C@@](C)(O)C3=O)C(=O)C(C)=C[C@@H]12,7696,0,312.17
O=c1c(C2CCCc3ccccc32)c(O)oc2ccccc12,7570,0,292.11
O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,7590,0,398.88
CC(C)(C)OOC1(C)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1,7597,0,308.24
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,7601,0,302.01
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,7606,0,287.17
CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,7615,0,362.01
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,7616,0,298.1
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,7622,0,327.11
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,7654,0,326.13
CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,7689,0,326.13
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,8220,0,445.14
C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,7627,0,322.18
C[C@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1,7633,0,318.15
CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,7639,0,320.16
C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,7677,0,320.16
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1,7679,0,318.15
C[C@H]1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1,7691,0,322.18
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1,7628,0,312.18
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,7681,0,312.18
C[C@@]12CCc3occc3C1CC[C@@]13CC(CCC12)C(O)(CO)C3,7631,0,316.2
CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4c5ccoc5C=CC4(C)C2CCC1C3,8390,0,552.42
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,7642,0,342.12
OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,7646,0,344.13
OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,7686,0,344.13
CO[C@H]1[C@H](O)[C@H](O)[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2C(=O)O)O[C@@H]1C(=O)O,7933,0,382.11
OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,8308,0,504.17
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,8315,0,504.17
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O,8499,0,799.22
CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,7667,0,334.1
CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,7770,0,349.11
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,7846,0,389.06
CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,7992,0,403.14
Cc1oc(=O)oc1COC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C,8235,0,461.13
CC1OC(=O)OC1COC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C,8278,0,498.11
CNC(=O)CC(N)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccc(O)cc1,8296,0,493.16
CNC(=O)CC(N)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccc(O)cc1,8311,0,493.16
CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O,8341,0,517.16
CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,8353,0,540.15
CCN1CCN(C(=O)NC(C(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)c2ccccc2)C(=O)C1=O,8354,0,540.15
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,7676,0,314.22
CCSC(C)CC1CC(=O)C(/C(CC)=N/OC/C=C/Cl)=C(O)C1,7683,0,359.13
O=BOB(O)OB(O)OB=O,7687,0,384.1
C=CC1(C)CC(O)C2(C)C(CCC3C4(C)CCCC32OC4=O)C1,7710,0,318.22
C=CC1(C)CCC2(C)C(C1)C(=O)CC1C3(C)CCCC12OC3=O,7714,0,316.2
C/C=C/C(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1,7734,0,332.16
C/C=C\C(=O)O[C@@H]1C[C@@H]2O[C@H]3C=C(C)C(=O)C[C@@]3(C)[C@@]1(C)[C@]21CO1,7788,0,332.16
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,7735,0,324.18
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,7782,0,324.18
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,7784,0,324.18
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,7853,0,404.11
C=C[C@H]1CN2CC[C@H]1C[C@H]2C(O)c1ccnc2ccc(OC)cc12,7919,0,396.14
C=CC1CN2CCC1CC2C(OC(=O)OCC)c1ccnc2ccc(OC)cc12,8096,0,396.2
C=CC1CN2CCC1CC2C(OC(=O)C(C)O)c1ccnc2ccc(OC)cc12,8099,0,396.2
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.NC(N)=O,8123,0,420.19
C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12,8126,0,396.2
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.CC(O)C(=O)O,8181,0,414.22
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.CCCCC(=O)O,8213,0,426.25
C=C[C@H]1CN2CC[C@@H]1C[C@H]2C(O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=P(O)(O)OCC(O)CO,8515,0,820.38
C[C@]12CC(C=O)=C(O)C[C@@H]1CC[C@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12,7738,0,332.24
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,7781,0,332.24
Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,7741,0,380.02
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,8072,0,443.02
CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C,7750,0,342.22
CCOC(=O)[C@H]1O[C@@H]1C(=O)NC(CC(C)C)C(=O)NCCC(C)C,7791,0,342.22
Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3C1=O)S2,7752,0,391.95
CC1(CO)C(O)CCC2(C)C1CCC1CC3CC12CCC3(O)CO,7760,0,338.25
COCC1CN(c2ccc3nc(C(O)CCC#N)sc3c2)C(=O)O1,7764,0,347.09
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,7768,0,352.07
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OC)CC(=O)C[C@H]1C,7783,0,354.09
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1,7769,0,322.24
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1,7859,0,358.22
COC1=CC(=O)C=C/C1=N\c1c2ccccc2nc2ccccc12,7771,0,314.11
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,7780,0,336.21
C1=CCC=C1.CNC(=O)Oc1ccc(NC=C2C=CC=C2)cc1.[Fe+2],7789,0,364.09
C[n+]1c2n(c(=O)c3ccccc31)CCc1c-2[nH]c2ccccc12,7790,0,337.1
O=C(O)c1c(Cl)c(Cl)c(Cl)c2oc3c(Br)c(O)c(Br)cc3c(=O)c12,7795,0,513.74
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,7797,0,324.1
Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,7800,0,399.93
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,7804,0,327.17
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,7943,0,375.14
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,7806,0,318.09
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,7817,0,332.07
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I,8095,0,835.66
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1,8204,0,415.23
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,7807,0,348.13
CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,7810,0,338.21
COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC,7820,0,345.16
COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC,7922,0,381.13
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,8325,0,480.3
CCC1=C(CC2NCCc3cc(OC)c(OC)cc32)CC2c3cc(OC)c(OC)cc3CCN2C1,8328,0,478.28
CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc32)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1,8331,0,478.28
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,8350,0,552.25
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,7821,0,336.12
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,7825,0,348.2
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,7929,0,384.18
CC1CCCC(C)N1CCCC(O)(c1ccccc1)c1ccccn1,7827,0,338.24
C[C@@H]1CCC[C@H](C)N1CCCC(O)(c1ccccc1)c1ccccn1,7927,0,374.21
COC(=O)C1=C(C)N=C(C)C(=C(O)OC)C1c1ccccc1[N+](=O)[O-],7831,0,346.12
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],7845,0,346.12
COC(O)=C1C(C)=NC(C)=C(C(=O)OCC(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-],8042,0,388.13
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-],8062,0,388.13
COC(O)=C1C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1,8258,0,448.16
COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,8282,0,448.16
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1,8422,0,582.25
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,8428,0,582.25
CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1,8456,0,667.22
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,8461,0,682.23
COC(=O)C1=C(C)N=C(C)C(=C(O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)C1c1cccc([N+](=O)[O-])c1,8479,0,686.31
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)C1c1cccc([N+](=O)[O-])c1,8495,0,758.26
CC(=O)C1=CCC2C3=CCC4=CC(O)C(O)CC4(C)C3CC(O)C12C,7836,0,344.2
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,7839,0,346.14
C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12C=C[C@H](O)C(C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O,7852,0,346.14
CCCC1(O)CCC2C3CCC4CC(=O)CC(C)C4(C)C3CCC21C,7840,0,346.29
CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C,7850,0,346.29
CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,7842,0,438.97
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,7847,0,438.97
CCC1CCC(CCC(=O)O)C1.CCC1CCC(CCC(=O)O)C1.[Cu+2],7854,0,403.19
c1cc(-c2cc3ccc(C4=NCCN4)cc3[nH]2)ccc1C1=NCCN1,7865,0,329.16
CCCCCCCCCCCCCCCCCC1=NCCN1CCO,7867,0,352.35
COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1,7874,0,339.11
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,7878,0,357.08
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,7880,0,344.09
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNCCO,7881,0,334.13
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,7886,0,364.27
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,7894,0,362.26
CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,7994,0,397.23
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,7996,0,399.24
CCCCCC(C)(O)/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O,7895,0,366.24
CCCCCC(C)(O)/C=C/C1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,7926,0,366.24
CCNCC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1,7901,0,357.23
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,7945,0,357.23
CCNCC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1,7998,0,393.21
CCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1,8029,0,385.26
CCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1,8135,0,421.24
NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,7902,0,362.17
NC(=O)[C@@H]1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,7923,0,362.17
CC1SCC(C(=O)NC(Cc2c[nH]cn2)C(=O)N2CCCC2C(N)=O)NC1=O,8021,0,408.16
C[C@H]1SCC(C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O,8076,0,408.16
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,7907,0,347.16
CCCCCCCCC(Cl)CCC(Cl)CC(Cl)C(Cl)C(Cl)CC(=O)OC,7910,0,468.09
COC(=O)C(Cl)CCC(Cl)CCCCCC(Cl)CCC(Cl)CCCCCl,7914,0,468.09
Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1,7925,0,380.15
CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1,7931,0,357.14
CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1,7936,0,351.23
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,7955,0,361.13
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,7956,0,371.17
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2,8109,0,399.17
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,8120,0,399.17
CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,7958,0,367.21
CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,8074,0,403.19
CCC(C)c1cccc(C(C)CC(CC)c2ccc(C[N+](C)(C)C)cc2)c1,7959,0,366.32
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,7965,0,368.22
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,8054,0,447.14
CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,7968,0,369.12
C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,8020,0,403.08
C[C@@H]1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,8067,0,403.08
CCCCCOc1cccc(NC(=O)OC2CCCCC2N2CCCC2)c1,7969,0,374.26
CCCCCOc1cccc(NC(=O)OC2CCCC[C@H]2N2CCCC2)c1,7997,0,374.26
C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1,7971,0,422.04
C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1,8222,0,485.03
CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1,7976,0,366.22
C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12,7984,0,366.22
O=C(O)C1O[Sb]2OC(=O)C(O2)C(C(=O)O)O[Sb]2OC(=O)C1O2,7993,0,667.75
CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1,8007,0,371.18
O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1,8010,0,358.1
CCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)Nc1ccccc1CC,8011,0,368.21
COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1,8017,0,404.27
COC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC6S[C@@H]6C[C@]5(C)[C@H]4CC[C@]23C)CCCC1,8071,0,404.27
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,8028,0,384.34
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H](C(C)CCCC(C)C)CC[C@@H]12,8065,0,384.34
C=C1CC[C@H](O)C/C1=C\C=C1\CCC[C@]2(C)[C@@H](C(C)CCCC(C)C)CC[C@@H]12,8070,0,384.34
C=C1/C(=C/C=C2\CCCC3(C)C2CCC3C(C)CCC(O)C(C)C)CC(O)CC1O,8153,0,416.33
C=C1/C(=C/C=C2\CCCC3(C)C2CCC3C(C)/C=C/C(O)C2CC2)CC(O)CC1O,8157,0,412.3
C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H](C(C)CCC(O)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,8186,0,416.33
C=C1/C(=C/C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)/C=C/C(O)C2CC2)C[C@@H](O)C[C@@H]1O,8189,0,412.3
COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,8041,0,384.17
COc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC,8063,0,384.17
CC1C(C)(C)Nc2ccccc2C1(C)C1C(C)(C)Nc2ccccc2C1(C)C,8048,0,376.29
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21,8060,0,382.19
C(=N/N1Cc2[nH]c3ccccc3c2N=N1)\c1ccc(Oc2ccccc2)cc1,8085,0,367.14
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@@H]43,8097,0,394.19
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43,8129,0,394.19
C=C(C)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,8101,0,394.14
C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,8121,0,394.14
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,8103,0,391.18
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,8184,0,427.16
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,8106,0,405.23
NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,8221,0,441.25
CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(C(=O)O)CCC4(C)C3CCC12C,8112,0,399.28
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,8124,0,399.28
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC,8141,0,395.18
CNCc1ccc(CSCCN=C(NC[C@H](O)c2ccc(O)cc2)NS(C)(=O)=O)o1,8148,0,456.15
CNCc1ccc(CSCCN/C(=N\CC(O)c2ccc(O)cc2)NS(C)(=O)=O)o1,8190,0,456.15
COC(O)=C1C(C)=NC(COC(N)=O)=C(C(=O)OC(C)C)[C@H]1c1cccc(Cl)c1Cl,8150,0,456.09
COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl,8177,0,456.09
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,8152,0,437.17
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,8241,0,509.13
CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,8368,0,549.26
CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,8406,0,591.31
NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,8158,0,466.02
NC(=O)OCC1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,8188,0,466.02
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,8161,0,412.32
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,8208,0,447.29
O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)/C(=N/c3ccccc3)C2=C1,8162,0,390.14
COc1c(Cl)cc2c(c1OC)N(C)C1N3C(=O)C4(C)SSC3(C(=O)N4C)C(O)C21O,8163,0,473.05
COc1c(Cl)cc2c(c1OC)N(C)[C@@H]1N3C(=O)[C@@]4(C)SS[C@@]3(C(=O)N4C)[C@H](O)[C@]21O,8183,0,473.05
O=c1oc2cc(-n3nc4ccc5ccccc5c4n3)ccc2cc1-c1ccccc1,8164,0,389.12
CC(C)n1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,8165,0,411.18
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,8224,0,434.17
O=C(O)CC(O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C(O)CC(O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,8539,0,882.3
CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)N(C)C1=O,8167,0,414.23
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)/C(=C/c2ccccc2)N(C)C1=O,8185,0,414.23
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,8169,0,422.49
O=[As]O.O=[As]O.O=[As]O.O=[As]O.O=[As]O.O=[As]O.[Cu+2].[Cu+2].[Cu+2].[Cu+2],8176,0,1019.27
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,8193,0,460.15
COc1cc(C)cc2c(O)c(-c3c(C)cc4c(O)ccc(O)c4c3OC)cc(O)c12,8195,0,406.14
COc1cc(C)cc2c(OC(C)=O)c(-c3c(C)cc4c(OC(C)=O)ccc(OC(C)=O)c4c3OC)cc(OC(C)=O)c12,8419,0,574.18
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,8201,0,430.38
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2,8215,0,430.38
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,8291,0,472.39
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,8362,0,530.4
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1N=Nc1ccc(S(=O)(=O)O)cc1,8205,0,468.0
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1,8305,0,536.97
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1,8569,0,1430.99
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21,8207,0,430.25
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,8223,0,430.25
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1,8266,0,452.23
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1,8312,0,488.21
CC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCl,8214,0,576.12
O=c1c(O)c(C2=CC(O)(CCO)C(O)(CCO)C=C2)oc2c1C(O)=CC(O)(CCO)C2,8218,0,438.15
COCC1O[C@@H](O[C@@H]2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC,8225,0,454.24
CN(c1nccc(O)n1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,8231,0,432.21
CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,8240,0,432.21
CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1OC(=O)CCC,8233,0,469.14
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC,8239,0,469.14
Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,8234,0,441.14
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,8284,0,454.17
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Cl,8327,0,522.09
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl,8332,0,522.09
COc1cc(C2OCC3C(c4cc(OC)c(OC)c(OC)c4)OCC23)cc(OC)c1OC,8236,0,446.19
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,8244,0,446.19
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]12,8237,0,444.15
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]12,8268,0,460.15
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,8275,0,480.13
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,8306,0,496.12
CN(C)[C@@H]1C(=O)/C(=C(/N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.[Sb+3],8352,0,703.92
COc1cc(OC)c(Cl)c(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccc(F)cc2)c1,8251,0,449.12
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,8252,0,461.11
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,8254,0,790.87
CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,8537,0,1549.71
O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O,8255,0,943.36
COC1(NC(=O)CSCC(N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,8256,0,519.07
CO[C@@]1(NC(=O)CSCC(N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,8279,0,519.07
CN(C)c1ccc(C2CC3(C)C(CCC3(O)CCCO)C3CCC4=CC(=O)CCC4=C23)cc1,8257,0,449.29
CN(C)c1ccc(C2CC3(C)C(CCC3(O)/C=C/CO)C3CCC4=CC(=O)CCC4=C23)cc1,8259,0,447.28
CN(C)c1ccc([C@H]2CC3(C)C(CCC3(O)CCCO)C3CCC4=CC(=O)CCC4=C32)cc1,8280,0,449.29
CN(C)c1ccc([C@H]2CC3(C)C(CC[C@@]3(O)/C=C\CO)C3CCC4=CC(=O)CCC4=C32)cc1,8281,0,447.28
CCOC(=O)C1=C(C)N=C(C)C(=C(O)OCC2COC3(CCCC3)O2)C1c1cccc(Cl)c1,8270,0,475.18
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC3(CCCC3)O2)C1c1cccc(Cl)c1,8283,0,475.18
COc1cc(CCCS(=O)(=O)[O-])ccc1OC(Cc1cccc(OC)c1O)CS(=O)(=O)O,8272,0,512.08
C1CCC(C2(C3CCCCC3)COCCOCCOCCOCCOCCOCCO2)CC1,8273,0,472.34
CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1,8293,0,523.03
CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CSC12)c1nsc(N)n1,8326,0,516.09
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,8335,0,546.02
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3cc[n+]4ncccc34)CS[C@H]12)c1nsc(N)n1,8336,0,516.09
CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CSC12)c1csc(N)n1,8397,0,620.12
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)n1,8401,0,620.12
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,8300,0,468.07
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,8344,0,514.05
Oc1nc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,8301,0,461.23
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,8303,0,461.23
COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)CC3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)C23,8302,0,466.2
COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C2OC(=O)C3(C)C=CC(=O)C1(C)C23,8309,0,466.2
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2,8318,0,470.19
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,8319,0,467.31
O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21,8320,0,474.05
C/C(=C(\CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,8321,0,490.17
Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCOCCO3,8323,0,503.2
CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC,8329,0,636.38
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,8339,0,558.11
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1,8340,0,502.33
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,8345,0,502.33
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1,8458,0,664.38
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C(=O)O)C5CC[C@]43C)[C@H]2C1,8460,0,664.38
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,8513,0,822.4
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]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,8518,0,839.43
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,8549,0,942.52
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)C[C@@H](O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,8550,0,942.52
C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,8552,0,958.51
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)[C@]45CC[C@@H](C)[C@H](C)[C@H]4C4=CCC6[C@@]7(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C7CC[C@@]6(C)[C@]4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,8553,0,958.51
CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC21C,8346,0,520.22
CCOC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC,8357,0,526.21
CCOC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(Cl)c2)cc1Cl)C(=O)OCC,8392,0,594.13
CCOC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)cc1OC)C(=O)OCC,8412,0,586.23
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,8369,0,504.08
CCC1OC(CO)C(COCC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC)C(O)C2O)C(O)C1O,8370,0,558.25
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,8371,0,518.19
CNC1C(O)C(OC2C(NC(=O)C(O)CN)CC(N)C(OC3CC(CN)C(O)C(O)C3O)C2O)CCC1(C)O,8376,0,565.33
CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1,8383,0,537.09
COC1COC(COCC2COC(OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O,8385,0,657.98
Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C,8386,0,536.15
Cc1cc(O)c2c(c1)C(=O)C13C(=C2O)C(=O)C2C(O)C1C1C(O)C3C(=O)C3=C(O)c4c(O)cc(C)cc4C(=O)C321,8391,0,542.12
Cc1cc(O)c2c(c1O)C(=O)C13C(=C2O)C(=O)C2C(O)C1C1C(O)C3C(=O)C3=C(O)c4c(O)cc(C)c(O)c4C(=O)C321,8409,0,574.11
CCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O,8403,0,558.12
CC(C)(C)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1,8404,0,604.31
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O,8405,0,558.25
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(OCCO)C1OC(OCCO)CC1OCCO,8416,0,604.42
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC1(OCCOC)OCC(OCCOC)C1OCCOC,8434,0,632.45
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]21,8423,0,581.26
CC(C)C1(NC(=O)C2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O,8445,0,611.31
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,8446,0,611.31
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,8459,0,673.31
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.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.O=C(O)C(O)[C@@H](O)C(=O)O,8570,0,1312.54
COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC,8425,0,604.3
COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC,8447,0,676.25
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