SMILES,LOAEL,Dataset
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013496580117055152,swiss
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.00020190555530632425,swiss
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.0002764719511333511,swiss
CCOP(=S)(SCSC(C)(C)C)OCC,0.00034670385697674235,swiss
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.0005861906011027885,swiss
CCSCSP(=S)(OCC)OCC,0.0006144925475253195,swiss
CSc1ccc(cc1C)OP(=S)(OC)OC,0.0007185764991867223,swiss
CCOP(=O)(SC(CC)C)SC(CC)C,0.0008210296720157477,swiss
CNC(=O)CSP(=S)(OC)OC,0.000872381733741038,swiss
CCS(=O)CCSP(=O)(OC)OC,0.0008932752807580748,swiss
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,0.0009918273033473258,swiss
COP(=O)(SCCS(=O)(=O)CC)OC,0.0011437981092748413,swiss
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C.COC1CC(OC(C1OC1CC(OC)C(C(O1)C)O)C)OC1C(C)C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C1C)OC1(C2)C=CC(C(O1)C(C)C)C,0.0011546496256700967,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.0012166633663470796,swiss
CCOP(=O)(N1CCSC1=O)SC(CC)C,0.001341107599716744,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.001414591694222218,swiss
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.001516363034790411,swiss
CCSCCSP(=O)(OC)OC,0.001519854088965729,swiss
COC(=O)/C=C(/OP(=O)(OC)OC)\C,0.0015614663384413926,swiss
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1,0.0018110419025972907,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.0018996422061897484,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.001988416717024977,swiss
COP(=O)(SC)N,0.0020548549325897737,swiss
CCCSP(=O)(SCCC)OCC,0.002063225311384027,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.002089606472099723,swiss
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.0021168829879502555,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.002381932321850521,swiss
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,0.0024795682583683147,swiss
CSc1ccc(cc1C)OP(=S)(OC)OC,0.0025868754613179463,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.002596303652874617,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.002852364738724816,swiss
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.003100456591840454,swiss
Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C,0.0033027779077186826,swiss
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.0033630532459809582,swiss
CNC(=O)Oc1cccc2c1OC(O2)(C)C,0.0035838244976124515,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.003608862040355308,swiss
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.0038990829980641837,swiss
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C,0.003907559846623587,swiss
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,0.004149211896481245,swiss
CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC,0.004171650398342553,swiss
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.004681695305160139,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl,0.004898276703964497,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,0.004948543461552866,swiss
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.005288078037050265,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.005398114462735858,swiss
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.005493362006308507,swiss
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,0.005601648122412352,swiss
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.005603950401492444,swiss
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.005672488506643871,swiss
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.005689123251910172,swiss
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.005938151689011985,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.006038720639060896,swiss
ClC([N+](=O)[O-])(Cl)Cl,0.006083642787963147,swiss
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,0.006820319575237628,swiss
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.0068777238395693234,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.006921775895097049,swiss
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.0071176254993963305,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.007126618167084564,swiss
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.007293179580314936,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.0074006409463509264,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.007548400798826121,swiss
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.008056334643428573,swiss
CN(C(=S)S[Zn]SC(=S)N(C)C)C,0.00817493363915869,swiss
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.00821343424858256,swiss
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.008385443694386083,swiss
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.008508644649457775,swiss
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.008583378006954733,swiss
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.00913621053742932,swiss
CCCN(C(=O)SCc1ccccc1)CCC,0.009149216533940492,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.009267253123156974,swiss
CON(C(=O)Nc1ccc(cc1)Cl)C,0.00931754394759366,swiss
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.009436904951368202,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.009498211030948741,swiss
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.009625729959721526,swiss
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.009886227162529472,swiss
N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl,0.009892243396986886,swiss
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C,0.009906758425540224,swiss
CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F,0.009909494556264633,swiss
OCC(CCl)O,0.009951195933270719,swiss
CCCSP(=O)(SCCC)OCC,0.010068539755671456,swiss
COP(=O)(OC=C(Cl)Cl)OC,0.010408382170442241,swiss
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.010428101697378017,swiss
CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1,0.010655682947629983,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,0.010688854065726137,swiss
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,0.010713392485187262,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.01086969686236098,swiss
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,0.011264301100355506,swiss
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.011395676083924233,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.01228727229779905,swiss
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.012410167132297197,swiss
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.012605530348696702,swiss
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.01268036889326992,swiss
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=C(C)C1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC,0.012734890360905185,swiss
CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C,0.01286229964885329,swiss
COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1,0.01298475189092086,swiss
COP(=O)(NC(=O)C)SC,0.013648831720059621,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.013691057325028715,swiss
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.013701160159437661,swiss
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.013920121360835688,swiss
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.01409010160197152,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.014105593115928905,swiss
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.014249578440471417,swiss
CON(C(=O)Nc1ccc(cc1)Br)C,0.014357399945172603,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.014372927711833409,swiss
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.014686613132547533,swiss
N#CC(c1ccc(cc1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.014960133059978587,swiss
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.015124216704213374,swiss
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.015162725459871818,swiss
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.015292167409562457,swiss
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.015302732709143212,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.015577821917247702,swiss
c1cc[n+]2c(c1)c1cccc[n+]1CC2,0.015794866515636753,swiss
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.01585325164934852,swiss
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.016105987222784814,swiss
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,0.01616065190994549,swiss
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.01642869699075557,swiss
CCN(C(=O)SCc1ccc(cc1)Cl)CC,0.016680921188449865,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.0171141884323489,swiss
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.017185417014945824,swiss
CC(NC(=S)[S])CNC(=S)S[Zn],0.017255039351497643,swiss
CC(NC(=S)[S])CNC(=S)S[Zn],0.017255039351497643,swiss
COCC(N(c1c(C)csc1C)C(=O)CCl)C,0.018129419544573026,swiss
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.018195270551846183,swiss
N#Cc1c(Cl)cccc1Cl,0.0186034162597095,swiss
CNC(=O)ON=C(C(=O)N(C)C)SC,0.019109609238234706,swiss
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.019469491695902355,swiss
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,0.019664101798126703,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.020133908207418557,swiss
CCOc1snc(n1)C(Cl)(Cl)Cl,0.020199571769078495,swiss
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.020248123201460456,swiss
c1cc[n+]2c(c1)c1cccc[n+]1CC2,0.021168377697732887,swiss
CN1CN(C)CSC1=S,0.022184384932566064,swiss
CNC(=O)ON=C(C(=O)N(C)C)SC,0.022347753176858155,swiss
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.022598624918870935,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.022620602193004043,swiss
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.022800155556897562,swiss
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,0.02320682656135787,swiss
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.02340650588512378,swiss
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.023557308728421166,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.025090939601491648,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.025090939601491648,swiss
OC(=O)C(Oc1ccc(cc1C)Cl)C,0.02562363979237584,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O,0.025625059257949535,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.026675554368592185,swiss
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.02679478797527864,swiss
O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F,0.026942980220700186,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.02703199905515791,swiss
Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C,0.027599589461626675,swiss
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.027961199362093195,swiss
OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.028167056356499628,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.02821118623185781,swiss
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.028227806467376604,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.028523647387248163,swiss
CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.028877084613265123,swiss
N#Cc1cc(Br)c(c(c1)Br)O,0.028889958940868102,swiss
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.029112705155716945,swiss
C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.029164453292198207,swiss
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.02921233570136655,swiss
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,0.02946182933426497,swiss
CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C,0.029465850912223458,swiss
Nc1n[nH]cn1,0.029733601205328832,swiss
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.030123726579706293,swiss
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.030226952270055448,swiss
CN(C(=S)SSC(=S)N(C)C)C,0.03036190470594063,swiss
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.030507347552487064,swiss
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.03138138916099924,swiss
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.03170650329869704,swiss
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,0.03210675757919814,swiss
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.032154821211279785,swiss
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.03224060518839999,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F,0.0326520524201809,swiss
CN1CN(C)CSC1=S,0.03266034652463028,swiss
FC(=C(F)F)CCS(=O)(=O)c1ncc(s1)Cl,0.03291071649153446,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.03385342347822937,swiss
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.03385434330908588,swiss
CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C,0.03408246361134649,swiss
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.03428271152063386,swiss
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl,0.034818667907167616,swiss
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.034848813981213346,swiss
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C,0.03578732146400678,swiss
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.03634528529867737,swiss
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,0.036799624938222635,swiss
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.0369041241749624,swiss
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.03744148066760202,swiss
Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl,0.03787805062535496,swiss
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C,0.03816748004747272,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.03990998658130422,swiss
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.039947970982482275,swiss
CNC(=S)S,0.04011276528748593,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.04042042788372036,swiss
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1cncc1,0.04049199977868229,swiss
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.04095937862019833,swiss
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.041269285481015994,swiss
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.04157699893895499,swiss
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.04200781934177246,swiss
CN(C(=S)S[Zn]SC(=S)N(C)C)C,0.04250965492362519,swiss
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,0.042646674541424644,swiss
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.04266993811611698,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.04279938325518071,swiss
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.042917075351131324,swiss
S=C1NCCCN1,0.04303491887745652,swiss
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.043148047046675374,swiss
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.04326105065224025,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.044210334070631574,swiss
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.04432099700732809,swiss
[S-]C(=S)NCCNC(=S)[S-].[Zn+2],0.04460661819584039,swiss
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.045407278177700156,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.04636428436773443,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.04762340359884257,swiss
S=C1NCCCN1,0.04819910832192538,swiss
CCC(C(=O)NCc1ccccc1)Oc1ccc(c(c1)C(F)(F)F)F,0.049813316199071624,swiss
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.04982487508940451,swiss
CN(C(=S)SSC(=S)N(C)C)C,0.04990997903448147,swiss
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.05030195369030707,swiss
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.05047450068604942,swiss
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.05079984353648191,swiss
CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC,0.05118073847356783,swiss
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.05161859628615915,swiss
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.05166319030658296,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.05189661748967905,swiss
CNC(=O)Oc1cccc(c1)/N=C/N(C)C,0.051976062085632144,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.052499767865960584,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.05283880559178284,swiss
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.05326004956767166,swiss
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.053352320292409515,swiss
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.05350296944357954,swiss
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.05492821614526029,swiss
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.055204779037407746,swiss
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.05522147585284508,swiss
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.05566064749641608,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.05590140200157206,swiss
COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na+],0.05611797964648073,swiss
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,0.05632150550177753,swiss
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.05706818624978773,swiss
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.05707983190600125,swiss
CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl,0.057470413386035736,swiss
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.05846135558242613,swiss
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.05932124091140686,swiss
NC#N,0.059467202410657664,swiss
Nc1n[nH]cn1,0.059467202410657664,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.05953797389131243,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.05953797389131243,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.05953797389131243,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.06009909138187043,swiss
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,0.060497742776698574,swiss
CSc1nnc(c(=O)n1N)C(C)(C)C,0.060666030886662975,swiss
C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.06134969850332702,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,0.062106180868884746,swiss
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.062140866929396014,swiss
Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F,0.06269313377509025,swiss
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.06336648858092589,swiss
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.0636200517424888,swiss
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.06389160712181856,swiss
O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.06396281173215432,swiss
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.06424027322808253,swiss
O=C(N(C)C)Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C,0.06493710428214157,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.06507320207279278,swiss
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.06546156290207059,swiss
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.06569530810416269,swiss
CSc1nnc(c(=O)n1N)C(C)(C)C,0.06719929397120725,swiss
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.06773123883198195,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.06904967382858089,swiss
CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC,0.06981686853252955,swiss
CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC,0.07046793589427701,swiss
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.07172655770478076,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.07190296604559293,swiss
CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,0.07272797449373557,swiss
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.07395704796137248,swiss
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.07409262028018154,swiss
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.07465930346752149,swiss
Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F,0.07583481070072216,swiss
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C,0.07859017665904088,swiss
NC(=N)NCCCCCCCCNC(=N)N,0.08102032708037427,swiss
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.08196801536106943,swiss
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.08212099927021806,swiss
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.08272375649019124,swiss
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.08332310268057162,swiss
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.08430066662269543,swiss
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,0.08603044408485085,swiss
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,0.08701831648543702,swiss
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.08766124641710438,swiss
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.08778355070659401,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.08947770521301585,swiss
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.09203781459712614,swiss
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.09210345974638111,swiss
NC(=O)c1c(Cl)cccc1Cl,0.09261856560930491,swiss
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.09281779032399287,swiss
Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O,0.09303171987631087,swiss
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.09345959256991566,swiss
OC(=O)COc1ccc(cc1C)Cl,0.0947069010825298,swiss
Cc1nnc(c(=O)n1N)c1ccccc1,0.09643315995145703,swiss
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.0973945952590747,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.09950572862076837,swiss
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.1034404543369562,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.10393824312956665,swiss
CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C,0.10485300866417636,swiss
COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C,0.10573252781458294,swiss
S=C1NCCNC(=S)S[Mn+2]S1,0.10855557507359069,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.10941971287651023,swiss
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.11029461661878942,swiss
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.11151045388522976,swiss
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.115769562707734,swiss
CBr,0.1158644562818127,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.11727460798675288,swiss
CNC(=O)O/N=C(\SC)/C,0.11836501403389492,swiss
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.11857948837239812,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.12010651237688001,swiss
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.1242747128033579,swiss
c1coc(c1)c1nc2c([nH]1)cccc2,0.12486833177320307,swiss
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.1252316956521325,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.12545469800745823,swiss
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.12778321424363712,swiss
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.12919765885228982,swiss
[O-][N+](=O)/N=C(\NC)/NCc1cnc(s1)Cl,0.13016764551401042,swiss
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13731668655832788,swiss
Cc1cccc2c1n1cnnc1s2,0.1373938645607217,swiss
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.13747135609511818,swiss
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.13801406108477293,swiss
CC(OC(=O)Nc1cccc(c1)Cl)C,0.14040948460452124,swiss
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C,0.14421924681891674,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,0.1452393166315865,swiss
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.1461167287581588,swiss
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.14653013191720715,swiss
c1ccc(cc1)Nc1ccccc1,0.14773454395291782,swiss
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.14982590230152565,swiss
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.15042627044387033,swiss
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.15289184711551862,swiss
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.15479245019392282,swiss
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.15527684755838006,swiss
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.15801924849469393,swiss
CC(OC(=O)Nc1ccccc1)C,0.16181616210899355,swiss
C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C,0.16593276232681306,swiss
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.16893203350457175,swiss
Cc1ccc(c2c1cccc2)C,0.1728291127183792,swiss
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.1730416993562668,swiss
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.17526912017369997,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C,0.17563456769307506,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.17607780933998252,swiss
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.1767583631976715,swiss
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.17867678986550448,swiss
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.17901230859828976,swiss
CBr,0.1790632506173469,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.18015976856532,swiss
CC1=NNC(=O)N(C1)/N=C/c1cccnc1,0.18091653347462547,swiss
N#CCNC(=O)c1cnccc1C(F)(F)F,0.19244308898713228,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.19484459853450517,swiss
c1scc(n1)c1nc2c([nH]1)cccc2,0.19876005527119617,swiss
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.2021971466240455,swiss
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.20427010160523304,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.2098341392275743,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.2189994026791292,swiss
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.22199225860138957,swiss
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.22201922216305578,swiss
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.2255879747532767,swiss
CNC(=O)Oc1ccccc1OC(C)C,0.22939978025412716,swiss
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.22990526799413355,swiss
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.23093421710838027,swiss
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.23278744254805916,swiss
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.23425888009292972,swiss
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.23778815168220852,swiss
Cl/C=C/CO/N=C(\C1=C(O)CC(CC1=O)CC(SCC)C)/CC,0.2389478027971563,swiss
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.24018572189384213,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.24799169923196304,swiss
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.24968092026794356,swiss
CC1OC(C)OC(OC(O1)C)C,0.249701719945447,swiss
[S]C(=S)NCCNC(=S)S[Mn],0.2525424903682367,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.2557761861991325,swiss
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.25917417547047744,swiss
Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl,0.25962686686321285,swiss
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.2690918752347788,swiss
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.270705569703932,swiss
OCC(CCl)O,0.27139624684320934,swiss
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.2782339965161208,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.2804534946915948,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.28049546719325014,swiss
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.2805209905967611,swiss
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.2879713060783083,swiss
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.29547465787728056,swiss
CNC(=O)Oc1cccc2c1cccc2,0.2991731924668564,swiss
CN(C(=S)[S-])C.CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Fe+3],0.30012414094866885,swiss
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.3033262936121485,swiss
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.3034972489425892,swiss
NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,0.3057757345866624,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.31203800675365617,swiss
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.31323206744613685,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.32143014109471235,swiss
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.3260262207586085,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.3315102548955885,swiss
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.3326798171006209,swiss
OC(=O)CSc1cc(/N=c/2\sc(=O)n3n2CCCC3)c(cc1Cl)F,0.33345926123075403,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.33930903289506065,swiss
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.3670674304254852,swiss
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.3678012132205545,swiss
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.36784842879061364,swiss
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.36852210915226874,swiss
Cc1nnc(c(=O)n1N)c1ccccc1,0.36891864539658303,swiss
O=C(Nc1ccnc(c1)Cl)Nc1ccccc1,0.37548404132262436,swiss
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.3880867710275115,swiss
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.39446112244793224,swiss
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.39448424715427566,swiss
N#Cc1ccc(cc1)C/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1ccc(cc1)C(F)(F)F,0.394944816927872,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.4023390123323988,swiss
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.41719152837532353,swiss
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.42802021191337764,swiss
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.4315900691721648,swiss
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.43286371555320496,swiss
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.4410333629488144,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.4460202371248177,swiss
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.4553054263341003,swiss
CSC(=O)c1cccc2c1snn2,0.4608228380460223,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.4670695574071115,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.4705718098105875,swiss
ClCC[N+](C)(C)C.[Cl-],0.47447507557122687,swiss
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.4774244272684517,swiss
CC1OC(C)CN(C1)C1CCCCCCCCCCC1,0.48316627385722294,swiss
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.4930161419173511,swiss
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.503640251987437,swiss
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.5061016308843888,swiss
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.5061016308843888,swiss
N#Cc1c[nH]cc1c1cccc(c1Cl)Cl,0.5061481392686851,swiss
CCCOC(=O)NCCCN(C)C.Cl,0.5072793699625824,swiss
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.5116896474609399,swiss
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C,0.5202976892967504,swiss
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.5285529966699751,swiss
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.5313410671453993,swiss
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.5465743293153008,swiss
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.5473855891134007,swiss
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.5651787298028309,swiss
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.5993972829782238,swiss
COCCN(c1c(C)cccc1C)C(=O)CCl,0.6139034987494355,swiss
O=Cc1ccco1,0.624453213155231,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.6352758309016929,swiss
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.6406279100538178,swiss
CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.6543197874203039,swiss
CCCOC(=O)NCCCN(C)C.Cl,0.6674728552139242,swiss
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.7047373288933002,swiss
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC,0.7561469746838736,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.7795645307119917,swiss
Clc1ccc(c(n1)C(=O)O)Cl,0.7812519531298828,swiss
Clc1ccc(c(n1)C(=O)O)Cl,0.7812519531298828,swiss
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.7817895162025876,swiss
ClCC[N+](C)(C)C.[Cl-],0.7907917926187115,swiss
COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,0.8052269925229198,swiss
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.8241033622809132,swiss
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.8282972172278201,swiss
ClCC[N+](C)(C)C.[Cl-],0.860381470369158,swiss
ClCCP(=O)(O)O,0.9066120392542251,swiss
Nc1nc(NC2CC2)nc(n1)N,0.9387196585948812,swiss
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.9662594125910484,swiss
Oc1noc(c1)C,0.9991119005328597,swiss
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,1.0353715215347752,swiss
Cc1cc(C)nc(n1)Nc1ccccc1,1.1091497729605546,swiss
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,1.1154252951100516,swiss
Oc1ccccc1c1ccccc1,1.1750384237564568,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,1.1780461209768547,swiss
CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC.[Na+],1.1894202967675005,swiss
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,1.1967534090558043,swiss
OC(=O)Cc1cccc2c1cccc2,1.205650068257516,swiss
OC(=O)C(CCP(=O)(O)C)N,1.2637552440957067,swiss
COC(=O)Nc1nc2c([nH]1)cccc2,1.3076226134187396,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,1.3411855059279478,swiss
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,1.391657397996453,swiss
O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)O)\C,1.4120001283962829,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1.4316432834082535,swiss
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,1.5854670852219546,swiss
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,1.605986191473768,swiss
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl,1.6864553664875628,swiss
O/C(=C\1/C(=O)CC(CC1=O)C(=O)O)/C1CC1,1.752821172367082,swiss
OC(=O)CNCP(=O)(O)O,1.7743806406081915,swiss
C[N+]1(C)CCCCC1.[Cl-],1.790706021930536,swiss
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,1.8050858655278421,swiss
CCC(=O)C1=C([O-])CC(CC1=O)C(=O)[O-].[Ca+2],1.874040503249802,swiss
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,1.9605490478397496,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,2.178589749473798,swiss
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,2.302288500094267,swiss
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,2.4002085592886893,swiss
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C,2.5070128670931195,swiss
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F,2.5233463155295692,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,2.7556956072872962,swiss
CN(NC(=O)CCC(=O)O)C,3.0342556221759884,swiss
CCCOC(=O)NCCCN(C)C.Cl,3.0347765817059753,swiss
Oc1ccccc1c1ccccc1,3.119727015073393,swiss
OC(=O)CNCP(=O)(O)O,3.3121771958019575,swiss
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,3.3387517363764943,swiss
[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC.[Al+3],3.6853523538557287,swiss
Oc1ccc(nn1)O,4.460830164062196,swiss
C[N+]1(C)CCCCC1.[Cl-],4.570309399255547,swiss
Clc1cc(N)c(c(n1)C(=O)O)Cl,4.830587434212229,swiss
CNC(=N[N](=O)[O])NCC1COCC1,4.900819965040488,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,5.08765706618306,swiss
OC(=O)CNCP(=O)(O)O,5.559726007239,swiss
Oc1ccccc1c1ccccc1,5.875192118782284,swiss
OC(=O)CNCP(=O)(O)O,7.180326992327815,swiss