From 6e23be652ad90c747aaccf15258bdaa4458185a4 Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Tue, 13 Nov 2018 14:32:09 +0100 Subject: public dataset download --- data/Maximum_Recommended_Daily_Dose-Human.csv | 1217 +++++++++++++++++++++++++ 1 file changed, 1217 insertions(+) create mode 100644 data/Maximum_Recommended_Daily_Dose-Human.csv (limited to 'data/Maximum_Recommended_Daily_Dose-Human.csv') diff --git a/data/Maximum_Recommended_Daily_Dose-Human.csv b/data/Maximum_Recommended_Daily_Dose-Human.csv new file mode 100644 index 0000000..ffbfb80 --- /dev/null +++ b/data/Maximum_Recommended_Daily_Dose-Human.csv @@ -0,0 +1,1217 @@ +SID,SMILES,-log10(Maximum_Recommended_Daily_Dose-Human [mmol/kg-bw/day]) +48415500,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,2.1417877425480896 +48415501,CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O,3.2471452052692893 +48415502,CC(=O)NC1=CC=C(C=C1)O,0.4804738867412574 +48415503,CC(=O)NC1=CC=CC=C1,1.4318886655417273 +48415504,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,1.1241166718535796 +48415505,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,1.1131343641903568 +48415506,CC(=O)NO,0.6527304973433059 +48415507,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO,1.6144330470236434 +48415508,CC(=O)[N-]S(=O)(=O)C1=C(C=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N.[Na+],0.76849218110383 +48415509,CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I,0.7457468695831626 +48415510,CC(=O)NC(CS)C(=O)O,1.2127067575082975 +48415511,CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O,5.384416045654941 +48415512,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,3.3377333876046875 +48415513,CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC,2.416879474122478 +48415514,CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O,2.4781221530935387 +48415515,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC(=N3)C=CC(=O)O,2.8153994115154006 +48415516,C1=NC2=C(N1COCCO)NC(=NC2=O)N,1.2287256767496793 +48415517,C1=NC2=C(N1)C(=NC=N2)N,0.9546496341365898 +48415518,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O,2.125873765102146 +48415519,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,3.4041324718693393 +48415520,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O,3.018161920207789 +48415521,CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,1.618282201093483 +48415522,CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF,2.4522474405044976 +48415523,CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,1.299936950229121 +48415524,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,2.6522407820695317 +48415525,CC(C)CC1C(=O)N(C(=S)N1)CC=C,0.7249144912227938 +48415526,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,2.1326509722449436 +48415527,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O,4.636192537589286 +48415528,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,2.572241325209759 +48415529,CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,5.125630104377906 +48415530,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC,3.2304668581107725 +48415531,C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2,2.307765753377392 +48415532,C=CCC1(C(=O)NC(=O)NC1=O)CC=C,1.796064631732221 +48415533,C1=C2C(=NC=NC2=O)NN1,1.0100432081629034 +48415534,CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34,3.0798730198047273 +48415535,CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2,2.718269138672369 +48415536,CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C,2.692456898239945 +48415537,CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,3.2669111213471216 +48415538,CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O,6.5495922953529 +48415539,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,1.589599037029287 +48415540,C1C2CC3CC1CC(C2)(C3)N,1.3555722434094448 +48415541,C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N,3.1525538228661625 +48415542,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[Cl-].[Cl-],2.561522523358407 +48415543,C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O,2.276579631219544 +48415544,CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)O)C,1.3363612557119373 +48415545,C(CN)CNCCSP(=O)(O)O,0.9399295071801034 +48415546,C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N,1.5915124217181165 +48415547,C(CCC(=O)O)CCN,-0.18318155189586652 +48415548,C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N,4.723214319152254 +48415549,CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,1.1432922510313654 +48415550,C1=CC(=CC=C1C(=O)NCC(=O)O)N,1.2882206004288943 +48415551,C1=CC(=C(C=C1N)O)C(=O)O,-0.11595315296112046 +48415552,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I,1.3832577946191724 +48415553,CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N,1.975510227457454 +48415554,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1.7441415927411557 +48415555,CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N,2.07670364115547 +48415556,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,3.3888749223932226 +48415557,CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O,2.0288364513190666 +48415558,C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1.4966274755747773 +48415559,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O,1.2247398955221263 +48415560,CC(CC1=CC=CC=C1)N,2.1309966383406422 +48415561,CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,2.789617263926142 +48415562,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C,0.777660774685701 +48415563,C1=CN=CC=C1C2=CNC(=O)C(=C2)N,2.3972402728304942 +48415564,COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,2.0843543276626746 +48415565,CC(C)CCON=O,1.3697582910770922 +48415566,CCC(C)CON=O,1.3697582910770922 +48415567,CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N,4.2446939090275775 +48415568,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,1.051541064040387 +48415569,CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)O)C,2.0651169140227017 +48415570,CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3,2.0246780428229725 +48415571,COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,1.7028853940231952 +48415572,CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-],2.161183010476032 +48415573,C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3,1.7248545615115318 +48415574,CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O,2.2043187612948656 +48415575,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3,1.8095422346341539 +48415576,CC(C)C1(C(=O)NC(=O)NC1=O)CC=C,1.89618260069309 +48415577,CN1CCC=C(C1)C(=O)OC,3.6684309987970236 +48415578,C(CC(C(=O)O)N)CN=C(N)N,-0.4579197256161993 +48415579,CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O,3.0475625937384554 +48415580,C(C(C1C(=C(C(=O)O1)O)O)O)O,0.2458191446266792 +48415581,C(C(C(=O)O)N)C(=O)O,0.1241866111602424 +48415582,CC(=O)OC1=CC=CC=C1C(=O)O,0.43152604689372914 +48415583,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,3.4386898711020786 +48415584,CC(C1CCC(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)CN)OC)O)N)N)N,1.783855218931884 +48415585,CC(C1CCC(C(O1)OC2C(C(C(C(C2O)NC)OC)O)N)N)N,1.717999075495105 +48415586,CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1,1.7410444151723465 +48415587,CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC,1.9030448227143273 +48415588,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,1.902985768821967 +48415589,C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,0.9904428807736264 +48415590,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-],3.395668087034179 +48415591,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,5.337607695935843 +48415592,C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)[O-],3.785855823444119 +48415593,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,1.0802578926239994 +48415594,CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C.O.O,1.049711105112879 +48415595,CC(=O)OCC1C(C(C(O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C,0.33927583292634655 +48415596,CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1,3.9405539748503333 +48415597,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],1.7439223840911737 +48415598,CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl,3.458096404315438 +48415599,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)O)C,0.6641631346449017 +48415600,CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N,0.5150698233759998 +48415601,C1=CC(=CC=C1C(CC(=O)O)CN)Cl,2.2058732023265195 +48415602,CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO,1.1088579916159038 +48415603,CCC1(C(=O)NC(=O)NC1=O)CC,1.2652721588880265 +48415604,CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O,3.339010320157055 +48415605,CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O,2.5040146543486825 +48415606,CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2,1.4615821174058443 +48415607,C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2,3.1022651730629813 +48415608,CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,3.579923722620212 +48415609,CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C,0.37211514396818324 +48415610,CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O,1.4796108039075921 +48415611,C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,1.8879013001627467 +48415612,CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br,1.9284825113371404 +48415613,CCOC(=O)C1=CC=C(C=C1)N,2.1388062286865557 +48415614,CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,2.396810142559181 +48415615,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,1.7808505099620229 +48415616,CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2,1.9811040296152829 +48415617,CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC,2.9867834603755594 +48415618,C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N,2.1129766038537348 +48415619,CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,3.487745308995123 +48415620,C1=CC=C(C=C1)CO,1.3350075342185173 +48415621,C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2,0.7887192320358708 +48415622,C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)[O-],1.026790839300287 +48415623,CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3,1.7399954316907094 +48415624,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,4.030901070516169 +48415625,CNCCC1=CC=CC=N1,2.231069015225276 +48415626,C[N+](C)(C)CC(=O)[O-],1.1480839792748803 +48415627,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,3.4177047720982814 +48415628,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C,3.461896503712 +48415629,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C(C)C)C)O)F)C,3.526845994993384 +48415630,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C,3.519886653549828 +48415631,CCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)COC(=O)CC,3.5387536593214826 +48415632,CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)OC(=O)CC,3.526845994993384 +48415633,CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO,3.5020425401453683 +48415634,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,2.6636163243794004 +48415635,C1=C(NN=C1)CCN,2.346919724897611 +48415636,CC(C[N+](C)(C)C)OC(=O)N.[Cl-],1.7713045650531645 +48415637,CNC(=NC)NCC1=CC=CC=C1,1.7261333180251963 +48415638,CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,2.7132000928888207 +48415639,C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2,4.865497771585787 +48415640,C1CCN(CC1)CCC(C2=CC=CC=C2)(C34CCC(C3)C=C4)O,3.1923736579255744 +48415641,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,3.160037020366739 +48415642,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,2.9900309796662774 +48415643,CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C,4.096016286597812 +48415644,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3,4.357615618935033 +48415645,CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-],1.9184042863080966 +48415646,CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2,2.672248844940689 +48415647,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,2.5932554937650973 +48415648,CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br,2.1261326593347807 +48415649,C(Br)(Br)Br,1.004717648458577 +48415650,C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F,2.702929218991764 +48415651,CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2,2.9020558611359055 +48415652,CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl,4.975017927711477 +48415653,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],2.638529040151278 +48415654,CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,2.238575874519487 +48415655,C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)Cl,1.1684578290357388 +48415656,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,4.997527231562801 +48415657,COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC,1.487682561541807 +48415658,CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O,1.4723430371109412 +48415659,CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,3.3388814153581086 +48415660,CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,3.8732615895477505 +48415661,CC(C)(C)NCC(COC1=CC=CC=C1C#N)O,2.5708875241878073 +48415662,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O,3.066527391350391 +48415663,CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,1.8860065396821963 +48415664,CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O,1.610097126673426 +48415665,CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,2.9431827783201827 +48415666,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,1.5046818874998524 +48415667,C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,2.586028354028173 +48415668,CS(=O)(=O)OCCCCOS(=O)(=O)C,3.267615891272753 +48415669,CCC(C)C1(C(=O)NC(=O)NC1=O)CC,2.0258089653349365 +48415670,CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2,1.89823231129851 +48415671,CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C,1.6517749921573994 +48415672,CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C,2.3896305282761925 +48415673,CC(C)CC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,3.1508736956547776 +48415674,C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,3.0886474021802135 +48415675,CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C,2.06958793181223 +48415676,CCCCOC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-],3.0386482087243674 +48415677,CC(C)(C)C1=C(C=CC(=C1)O)O,2.919644129650604 +48415678,CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-],2.5199671727126587 +48415679,CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C,4.353727660377204 +48415680,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,1.2882281905938815 +48415681,CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,5.080307005414842 +48415682,CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,6.920786183087625 +48415683,CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(C)O)C,1.8013731497899126 +48415684,COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC,1.0082486571290472 +48415685,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,3.2173890829451794 +48415686,CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C,1.430602678914535 +48415687,CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C,1.3539856467146123 +48415688,CCC(C)C(CC)C(=O)NC(=O)N,1.4459738495990677 +48415689,CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2,1.7625467493002913 +48415690,C[N+](C)(C)CCOC(=O)N.[Cl-],3.4374906371983367 +48415691,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,0.9468946541518367 +48415692,CN1C(CC2=CC(=NNC(=O)N)C(=O)C=C21)S(=O)(=O)[O-].[Na+],2.031102568114233 +48415693,CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,2.0574810209878946 +48415694,CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2,2.222020329826031 +48415695,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,2.433903241448674 +48415696,CCOC(=O)N1C=CN(C1=S)C,2.2700532124007373 +48415697,CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,2.8615173043363065 +48415698,C(C(C(=O)O)N)SCC(=O)O,0.6792930256904097 +48415699,CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O,3.265416171650008 +48415700,CCC(CC)(C(=O)NC(=O)N)Br,1.1522046986356156 +48415701,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,1.2107909942488448 +48415702,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)C)O)N)O,2.8805890332407142 +48415703,C(CCl)NC(=O)N(CCCl)N=O,3.4098695733266533 +48415704,C[N+](C)(C)CC(CC(=O)[O-])O,0.9846444366426963 +48415705,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO,1.8048617214890035 +48415706,CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O,3.2432216854974856 +48415707,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,2.988899203506942 +48415708,C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl,1.1676801742842764 +48415709,CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1.337653999160649 +48415710,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O,0.6651141799883828 +48415711,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+],0.7096893096596723 +48415712,C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4,1.4423977689792251 +48415713,CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O,0.833415971286174 +48415714,C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O,1.532677572119699 +48415715,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O,0.884769037815425 +48415716,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O,0.6735125721655338 +48415717,CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O,1.2444658562441417 +48415718,C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O,1.5117356174148555 +48415719,CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,0.5089788704982334 +48415720,C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O,1.1931866895319776 +48415721,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O,0.3574256834160767 +48415722,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O,0.9360102528474464 +48415723,CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O,0.7206776173201926 +48415724,COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3,0.3298571648857351 +48415725,COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O,1.6308899451580798 +48415726,CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC,1.7463204129574086 +48415727,CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1.3677077508278812 +48415728,COC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O,1.0403290985135931 +48415729,C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N,0.7263576036822604 +48415730,CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],0.6137989895235618 +48415731,C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4,0.8197995496240604 +48415732,CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O,0.5836557792145172 +48415733,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O,0.9198390780488862 +48415734,CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,1.4050442267365904 +48415735,CC(OC(=O)C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N,1.4852570579100768 +48415736,CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N)OC(=O)C(C)(C)OC,1.5320546518228608 +48415737,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,1.7572226062071374 +48415738,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,1.7550848980191902 +48415739,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O,0.5306139694566977 +48415740,CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O,0.7166897235889906 +48415741,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O,1.0854664509859817 +48415742,C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4,0.7944302676220176 +48415743,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O,0.5981757118767851 +48415744,CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O,0.6268157282267771 +48415745,CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O,0.7192031716384324 +48415746,CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC,4.9633631213567675 +48415747,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,1.3645152478749507 +48415748,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,2.2126876217681417 +48415749,CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O,2.239381525104011 +48415750,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,1.570055639642916 +48415751,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,3.1821465184270754 +48415752,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],0.5093758317192819 +48415753,CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O,2.254049691495767 +48415754,CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl,1.8819304691361323 +48415755,CC(CC(C)(C)O)OC(C(Cl)(Cl)Cl)O,0.9976524799561165 +48415756,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O,4.037330976688959 +48415757,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,4.084932212991356 +48415758,CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl,1.6132050659836241 +48415759,CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl,1.5119317875134362 +48415760,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,0.9484423250779332 +48415761,C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1,0.5063858262451889 +48415762,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,1.88905021025908 +48415763,C1=CC(=CC=C1OCC(COC(=O)N)O)Cl,0.7882735786927753 +48415764,CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,3.315146562706834 +48415765,CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C,0.9085933454313191 +48415766,CC(C)(CC1=CC=C(C=C1)Cl)N,2.23063301439177 +48415767,CC(C)N=C(N)N=C(N)NC1=CC(=C(C=C1)Cl)Cl,2.9372150164517663 +48415768,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,1.2808892314582982 +48415769,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,1.3451614471915605 +48415770,CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,1.977052270868734 +48415771,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O,1.1577821761472333 +48415772,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,2.609255600632462 +48415773,C1=CC2=C(C=C1Cl)NC(=O)O2,0.7068916869462671 +48415774,C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)[O-])I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Na+].[Na+],2.7065623066877134 +48415775,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)NN=C5C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+],3.4601914903009856 +48415776,C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+],2.268991756262707 +48415777,CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O,1.7716612477205191 +48415778,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,0.9403608616762751 +48415779,C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4,1.605965301897887 +48415780,CC1=C(N=CN1)CSCCNC(=NC)NC#N,0.7999241554633492 +48415781,C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4,1.9924229016956614 +48415782,CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,1.1959464805648237 +48415783,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,2.238413419659944 +48415784,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,1.396423713799263 +48415785,COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F,2.5444836458153177 +48415786,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,2.5110701463920537 +48415787,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,0.28358010053365457 +48415788,C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O,3.501648086800635 +48415789,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,1.9532278807923165 +48415790,C1C2N(C1=O)C(C(=CCO)O2)C(=O)O,1.5033235336419637 +48415791,COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N,4.174788161063182 +48415792,CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C,3.4093152883579503 +48415793,CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,5.442778010264848 +48415794,C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)Cl,2.5701912169563843 +48415795,C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-],3.1133919747579366 +48415796,CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl,1.1512500505705585 +48415797,C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1,1.0870704658693688 +48415798,CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O,1.80581323689352 +48415799,CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,2.152780965950883 +48415800,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,0.8626237313127703 +48415801,CC(C)(C(=O)OCCCC(=O)N(C)C)OC1=CC=C(C=C1)Cl,0.8624022203001627 +48415802,CC1=C(SC=N1)CCCl,1.402402431632653 +48415803,CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3,2.385766327575415 +48415804,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,1.8779709904940434 +48415805,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,3.375438436371526 +48415806,C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl,3.759845290231208 +48415807,CC1CCCC(N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C,2.5388813092922717 +48415808,COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,2.4107051247651414 +48415809,CC12CC(C3C(C1CCC2(C(=O)CO)O)C=C(C4=CC(=O)C=CC34C)Cl)O,3.2761889922540894 +48415810,CC(C)(CC1=CC=CC=C1Cl)N,2.3434121745766223 +48415811,CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl,3.138459018022448 +48415812,CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C,2.503546400325059 +48415813,CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,1.116924263678349 +48415814,C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl,3.242058408892466 +48415815,CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl,1.3382213781108918 +48415816,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,1.698048107730574 +48415817,CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C,1.8578671813674708 +48415818,CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O,1.9057735147779595 +48415819,C1=CC=C2C(=C1)C=CC(=O)O2,1.942060171487312 +48415820,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O,1.5467336560668226 +48415821,CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)N)C(=O)O)C,1.0108519794437592 +48415822,CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O,1.0149806151008811 +48415823,CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O,3.6094799659946086 +48415824,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3,1.9030587189148838 +48415825,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,1.549276814709521 +48415826,CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C,1.737494330239917 +48415827,CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C,2.8784664177996815 +48415828,C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl,4.181709429045443 +48415829,C1CNP(=O)(OC1)N(CCCl)CCCl,1.717813079223892 +48415830,C1C(C(=O)NO1)N,0.786275106050243 +48415831,C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl,3.5909278692223854 +48415832,CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,2.7595131548329475 +48415833,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O,1.8749451051532628 +48415834,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,1.921101137150097 +48415835,C(CS)N,0.3648843530743753 +48415836,C(C(C(=O)O)N)S,0.08335289916638804 +48415837,C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,1.9546300729962378 +48415838,CN(C)NN=C1C(=NC=N1)C(=O)N,1.6072960136882632 +48415839,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,4.922697516385166 +48415840,CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5,1.4043649143247723 +48415841,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-],1.6731543472347987 +48415842,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,1.6960073866383336 +48415843,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O,2.6888142709805454 +48415844,CN(C)CCO,0.7739623351159263 +48415845,C1CN(CC2=CC=CC=C21)C(=N)N,1.5446388651209195 +48415846,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],4.001345790139604 +48415847,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,0.7487171461605172 +48415848,CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C,1.0307602642702598 +48415849,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,1.9375872543848391 +48415850,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,1.9966773610435502 +48415851,CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6,2.2539132947994474 +48415852,CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,1.8353735653865888 +48415853,CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O,1.4912239140527714 +48415854,CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,2.348407042844398 +48415855,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,4.539702168413247 +48415856,CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,1.7265334136156008 +48415857,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O,7.0714582124452585 +48415858,CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34,5.094083828628856 +48415859,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,3.417705908389503 +48415860,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C,3.54700750302082 +48415861,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C,3.461896503712 +48415862,CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)OC(=O)CC,3.526845994993384 +48415863,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O,3.623848421846915 +48415864,CCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O,3.5020425401453683 +48415865,CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2,2.6010258654719243 +48415866,CC(C)(CO)C(C(=O)NCCCO)O,1.3916408702615009 +48415867,CC(CC1=CC=CC=C1)N,2.1309966383406422 +48415868,CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC,2.132575531228332 +48415869,CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4,3.071432614816914 +48415870,C(C1C(C(C(C(O1)O)O)O)O)O,0.25564833239890145 +48415871,CC12CCCCCC(C1N)CC3=C2C=C(C=C3)O,3.167086998275082 +48415872,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+],0.11854058937805723 +48415873,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,2.6303222544227194 +48415874,CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,1.459903379477184 +48415875,C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N,2.177550766737926 +48415876,CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C,1.3911980738367082 +48415877,C(C(C(C(C(CBr)O)O)O)O)Br,1.8009719970848594 +48415878,C(C(C(C(C(CBr)O)O)O)O)Br,1.8683652984845758 +48415879,CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O,1.203310517704835 +48415880,C(C(=O)O)(Cl)Cl,0.28626927532187263 +48415881,C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O,0.42995117595455745 +48415882,C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,1.962083702937448 +48415883,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,1.897477111876346 +48415884,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,1.449682350499919 +48415885,C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O,1.827750368587493 +48415886,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,2.366790178131502 +48415887,C1CC(OC1CO)N2C=NC3=C2NC=NC3=O,1.5492045172836348 +48415888,CCN(CC)C(=O)N1CCN(CC1)C,1.5213411725379615 +48415889,CCN(CC)C(C)C(=O)C1=CC=CC=C1,2.2154704308752553 +48415890,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,1.4287023707135915 +48415891,C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4,3.50406039852136 +48415892,C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,1.0003432282337137 +48415893,CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O,7.5825964041955265 +48415894,CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,7.892617025607999 +48415895,C1=CC=C2C(=C1)C(=NN=C2NN)NN,1.7567783456066863 +48415896,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O,1.973965459416262 +48415897,CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O,1.543391072859087 +48415898,CC1CCC(CC1=CC=C2CCCC3(C2CCC3C(C)C=CC(C)C(C)C)C)O,3.9804724674434855 +48415899,CN(C1=CC=C(C=C1)O)C(=O)C(Cl)Cl,0.9714246808987667 +48415900,CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC,1.71445394229035 +48415901,CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C,1.4689875612913648 +48415902,CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C,3.4660043718190243 +48415903,CC(=O)N(C)C,2.174451206500086 +48415904,C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-],3.355369418001371 +48415905,CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N,2.013277518416186 +48415906,CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O,4.452683206039262 +48415907,CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O,4.149176163054943 +48415908,C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-],1.4666652515383503 +48415909,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,2.4864987357673356 +48415910,C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O,1.791612396204846 +48415911,CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,3.1332579238983 +48415912,CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3,2.926868435059007 +48415913,CCN(CC)C(=S)SSC(=S)N(CC)CC,1.5514374383580698 +48415914,C1=CC=C(C=C1)C2=C(OC(=N2)N(CCO)CCO)C3=CC=CC=C3,1.2100154971374864 +48415915,CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-],2.192285067871025 +48415916,CCN(CC)C(=S)[S-].[Na+],1.2336540869894554 +48415917,CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,3.8770538103115983 +48415918,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],1.962450004675704 +48415919,CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C,2.5111349567909063 +48415920,CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,2.072531598091374 +48415921,C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-],4.34483562359392 +48415922,CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,1.9760154145190303 +48415923,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,3.228122351574509 +48415924,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,3.0200775829952695 +48415925,CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31,1.7472197619049161 +48415926,CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O,1.0902445192232513 +48415927,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3,1.3014436409371586 +48415928,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,2.3496089293669082 +48415929,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C,2.8118226938299906 +48415930,CC1CC2(C(CCC3C2CCC4(C3CCC4O)C)CC1=O)C,2.26082336808927 +48415931,CCC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C)C)C,2.3342248861579895 +48415932,C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,3.139796196181322 +48415933,CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C,2.7958040224591008 +48415934,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O,0.6270971982816422 +48415935,CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-],3.3607396816488895 +48415936,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,0.6206455248794835 +48415937,CC[N+](C)(C)C1=CC(=CC=C1)O.[Cl-],2.4595929348556718 +48415938,C(CC(C(F)F)(C(=O)O)N)CN,-0.3415828914241666 +48415939,CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC,2.6818197553369414 +48415940,CCOC1=C(C=NN(C1=O)C)N2CCOCC2,1.8564450110499793 +48415941,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O,2.751577949268189 +48415942,CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC,2.0246780428229725 +48415943,CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O,1.2045524077347423 +48415944,CC(C(C1=CC=CC=C1)O)NC,1.9953777342992174 +48415945,CNCC(C1=CC(=C(C=C1)O)O)O,4.040219504597002 +48415946,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,2.3496089293669082 +48415947,CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O,7.54711617172698 +48415948,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O,1.504039605118295 +48415949,C(C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],2.2574484641095363 +48415950,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1.041526902890841 +48415951,CCCCCCCCCCCCCCCCCC(=O)O.CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)O)C)C)O)(C)O,1.2013604019316624 +48415952,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O,1.1114077573325674 +48415953,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O,1.0734960094093124 +48415954,CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O,3.1693420550028555 +48415955,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,3.9469907416790337 +48415956,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,2.7362077554865025 +48415957,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5,2.87678230367261 +48415958,CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,2.8993400216948477 +48415959,CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CC)C,2.8859363981781083 +48415960,CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C,2.885983157922108 +48415961,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,1.6749587072658763 +48415962,CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C,2.945130427473258 +48415963,CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C,2.853087840449617 +48415964,CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1,3.97073394424956 +48415965,CCC(CO)NCCNC(CC)CO,0.9123498838655705 +48415966,CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC,1.7286905559308932 +48415967,CCCCCCCCC=CCCCCCCCC(=O)O.C(CO)N,0.6153384052991696 +48415968,CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC,1.5971370420314368 +48415969,CCC(C=CCl)(C#C)O,0.9374480978167269 +48415970,CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,0.7114802632638335 +48415971,CCOC1=CC=CC=C1C(=O)N,0.39385519630062354 +48415972,C#CC1(CCCCC1)OC(=O)N,1.0005327716906336 +48415973,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,5.7729132362908775 +48415974,CCC1=NC=CC(=C1)C(=S)N,0.9980284420081392 +48415975,CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C,2.272057978165737 +48415976,CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2,1.417238007937757 +48415977,CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31,1.494812022575364 +48415978,CCC1(CC(=O)NC1=O)C,0.9270189265159198 +48415979,CCN1C(=O)C(NC1=O)C2=CC=CC=C2,0.6111389151616584 +48415980,CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N,1.491507988853242 +48415981,CCO,-0.33659780553530616 +48415982,CCOC(=O)C,0.5470610687031284 +48415983,CCC1(CCC2C1(CCC3C2CCC4=CCCCC34)C)O,3.6359708466180782 +48415984,CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(CCC34)O,4.255034576913594 +48415985,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,4.362189171412282 +48415986,CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C,1.6174390784834056 +48415987,CC(O)(P(=O)(O)O)P(=O)(O)O,1.012896627223796 +48415988,CCNCC(C1=CC(=CC=C1)O)O,2.3375887980790364 +48415989,CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C,3.710973229488501 +48415990,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO,1.430022477833207 +48415991,CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl,1.527214306247781 +48415992,CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2,2.6097521866663667 +48415993,CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl,2.1794497995286553 +48415994,CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,2.338424869431855 +48415995,CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C,2.3735036021198965 +48415996,CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C,2.8698238929313042 +48415997,CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,1.10901370443243 +48415998,C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N,2.7040768146345227 +48415999,CC1=C(N(C2=CC=CC=[N+]12)N=NN3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6.[Br-].[Br-],2.7812807330995066 +48416000,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,0.5988632180888018 +48416001,CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,3.0621737981531902 +48416002,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O,1.2292216038308523 +48416003,CCNC(C)CC1=CC(=CC=C1)C(F)(F)F,2.063065738397842 +48416004,CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O,0.6853302875437445 +48416005,CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O,4.055436892116604 +48416006,CC(C)(CC(C)(C1=CC=C(C=C1)Cl)O)O,1.359295013575866 +48416007,C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3,1.5124374397436218 +48416008,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,3.49756332017936 +48416009,C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl,1.3421604461420402 +48416010,CC(=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C,1.4087617099150358 +48416011,CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,3.650532085369015 +48416012,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,1.468835421519084 +48416013,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,1.9183898903229157 +48416014,C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C=C(C=C4)C(=O)CCC(=O)O,1.2577549783317596 +48416015,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,0.8328067671191931 +48416016,C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O,2.613123086303676 +48416017,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F,2.273220646173725 +48416018,C1=NC(=O)NC(=C1F)N,-0.06519117790088606 +48416019,C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(N=C2N)F,2.73259827381142 +48416020,CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F,5.357581978467192 +48416021,CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)O,5.403097356525949 +48416022,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F,1.4490614530325572 +48416023,CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,3.782884704492316 +48416024,CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F,3.973491249497721 +48416025,C1=C(C(=O)NC(=O)N1)F,1.0350199727656322 +48416026,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,2.3665648752759227 +48416027,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,3.1185554249968845 +48416028,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,3.249709192584332 +48416029,CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,3.2176743154887535 +48416030,CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,2.8897268677028647 +48416031,C1COC2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)CCO)C4=CC=CC=C4F,3.2750911774602987 +48416032,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,2.790208947696892 +48416033,C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,4.520977806503817 +48416034,CN(CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CC=C2)CC(=O)N3CCOCC3,1.7010138185455717 +48416035,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C,2.468936415925343 +48416036,CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,2.110558225090636 +48416037,C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],0.20400881749709082 +48416038,CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3,2.627167134166427 +48416039,CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N,3.2892397117775727 +48416040,C(C1C(C(C(O1)(CO)O)O)O)O,-0.3644872065988095 +48416041,C1C(C(C(C(O1)(CO)O)O)O)O,-0.3644872065988095 +48416042,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,1.5194914634569152 +48416043,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C,2.377759028808869 +48416044,CCCCC1=CN=C(C=C1)C(=O)O,1.3783149152016816 +48416045,CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,1.3153063089844217 +48416046,C1CCC(CC1)(CC(=O)O)CN,0.9325720305769968 +48416047,C(C1C(C(C(C(O1)O)O)O)O)O,0.25564833239890145 +48416048,CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-],2.6491048998750717 +48416049,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,1.0974885527130802 +48416050,CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC,2.2019387100555825 +48416051,CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O,2.175648938302791 +48416052,CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)N,2.1889930312317616 +48416053,CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O,3.868997611256308 +48416054,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,1.783026981234428 +48416055,CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C,2.7223312032052767 +48416056,CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3,3.226241339056205 +48416057,C(C1C(C(C(C(O1)O)N)O)O)O,0.2532677456368649 +48416058,C(CC(=O)O)C(C(=O)O)N,0.16769934310186685 +48416059,C(CC(=O)N)C(C(=O)O)N,-0.13624797524190535 +48416060,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,1.7886257937489212 +48416061,CCC1(CCC(=O)NC1=O)C2=CC=CC=C2,1.416342227769249 +48416062,CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2,1.3764261440857222 +48416063,C(C(CO)O)O,-1.0353336624194114 +48416064,C(C(COP(=O)(O)O)O)O,0.4115882207546172 +48416065,C(C(CO)OP(=O)(O)O)O,0.4115882207546172 +48416066,C(C(=O)O)N,-0.12455312911696477 +48416067,COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2,0.9679940345542195 +48416068,C[N+]1(CCC(C1)OC(=O)CC(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-],3.7911530256939487 +48416069,CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C,3.1923499870578746 +48416070,CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,4.494723823183621 +48416071,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,1.4505773678836282 +48416072,COC1=CC=CC=C1O,1.0446836990108652 +48416073,COC1=CC=CC=C1OCC(CO)O,0.9961088337630895 +48416074,CCC(C)(C)N=C(N)NC#N,1.1710869462082707 +48416075,C1CCCN(CCC1)CCN=C(N)N,2.376695909232191 +48416076,C(=N)(N)N,0.07240074298927801 +48416077,C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(F)(F)F,2.1209414129085724 +48416078,CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O,1.3013975642991362 +48416079,CC(=O)NCCOC(=O)C(C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F,1.3961587164046836 +48416080,CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)O)C,1.0680282978933824 +48416081,CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2,1.4527583397638686 +48416082,C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-],2.409320861144262 +48416083,CCCCCCC1=C(C=C(C=C1)O)O,1.0664701958915905 +48416084,C1=C(NC=N1)CCN,3.8845226258135312 +48416085,C1=C(NC=N1)CC(C(=O)O)N,0.19076427540362842 +48416086,CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.CBr,2.7444067180241545 +48416087,CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O,1.5520377179525506 +48416088,C1=CC=C2C(=C1)C=NN=C2NN,1.6821538665831026 +48416089,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1.9513911922245408 +48416090,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4,2.601138528096297 +48416091,C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1,1.9977648023366479 +48416092,CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4,2.8532984540280064 +48416093,CC(CC1=CC=C(C=C1)O)N,1.5775086507900338 +48416094,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,1.5261730265436444 +48416095,C1=CC(=C(N)N)C=CC1=CC=C2C=CC(=CC2=O)C(=N)N,1.827525508192088 +48416096,C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,1.7497947581666522 +48416097,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C,1.487682561541807 +48416098,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,0.7124065127031415 +48416099,CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2,0.8712680289038361 +48416100,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,1.8084344184486436 +48416101,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O,2.265424173759399 +48416102,CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O,0.6520477791924952 +48416103,CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.O,1.5778666882456165 +48416104,CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+],3.190311026244941 +48416105,C1(C(C(C(C(C1O)O)O)O)O)O,0.25564833239890145 +48416106,C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7,1.0847453056631924 +48416107,CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I,1.098250793289424 +48416108,CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O,0.9130780862665839 +48416109,CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,0.7979178318772691 +48416110,C1C(OC(O1)CCI)CO,1.8096514907557826 +48416111,CC(C1OCC(O1)CO)I,1.8096514907557826 +48416112,C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,0.8340971619223457 +48416113,C1=C(C(=O)C(=CN1CC(=O)O)I)I.C(CO)NCCO,0.7076242925619072 +48416114,C1=CC2=C(C(=C(C=C2I)I)O)N=C1,1.1216155230062026 +48416115,C1=C(C(=O)NC(=S)N1)I,1.705946218700409 +48416116,CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,0.8730248611321707 +48416117,CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O,0.8904686982663114 +48416118,CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O,0.7565848992597646 +48416119,CCOC(=O)CCCCCCCCC(C)C1=CC(=CC=C1)I,0.5225343415867699 +48416120,CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I,0.5225343415867699 +48416121,CCOC(=O)CCCCCCCCC(C)C1=CC=C(C=C1)I,0.5225343415867699 +48416122,CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I,0.8982391827748268 +48416123,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I,0.7881082428897861 +48416124,CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I,1.2111827940162423 +48416125,CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I,1.1034203256930053 +48416126,CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I,0.7766702285809783 +48416127,CC(C)NNC(=O)C1=CC=NC=C1,1.8554444721246561 +48416128,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,1.9330110238116016 +48416129,CC(C)COC(=O)C1=CC=C(C=C1)N,1.4619757649761158 +48416130,CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,2.364083180013924 +48416131,CC(CCC=C(C)C)NC,1.4160014096979094 +48416132,C1=CN=CC=C1C(=O)NN,1.1371616781699876 +48416133,CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C,3.325698385164303 +48416134,CC(C)NCC(C1=CC(=C(C=C1)O)O)O,3.1020959281687963 +48416135,C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O,1.9803188708081432 +48416136,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,2.1767207906611343 +48416137,CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,2.355263120187031 +48416138,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC,3.3471099489244134 +48416139,CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,1.8485780497994584 +48416140,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,3.765963845084153 +48416141,CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C,3.7589443701536887 +48416142,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,1.2190579837906539 +48416143,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N,1.5092018535181158 +48416144,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N)N,1.5083176070662816 +48416145,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CO)O)O)N)N,1.5092018535181158 +48416146,CNC1(CCCCC1=O)C2=CC=CC=C2Cl,2.075045497571105 +48416147,C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O,2.4732137328043016 +48416148,C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,2.009057194397881 +48416149,CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,3.9681110477522608 +48416150,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,0.9143491460816402 +48416151,CC(C(=O)O)O,-0.0453816632650797 +48416152,C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O,0.5344030287227008 +48416153,C1C(OC(S1)CO)N2C=CC(=NC2=O)N,1.6613503082516825 +48416154,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,1.5842689683730082 +48416155,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O,4.4639316776615745 +48416156,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O,4.471043469806414 +48416157,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O,4.471043469806414 +48416158,CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CC(C5C6=CC(=O)OC6)O)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O,4.4780398898400815 +48416159,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,2.8684807793020886 +48416160,CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,2.909251834342795 +48416161,C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3,3.835168494302233 +48416162,CC(C)CC(C(=O)O)N,0.11784445601005739 +48416163,C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,1.9420677726193913 +48416164,C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,3.628285797357382 +48416165,C1CSC2=NC(CN21)C3=CC=CC=C3,2.3896049651890983 +48416166,CCC(C(=O)N)N1CCCC1=O,0.45283102245575835 +48416167,C[N+](C)(C)CC(CC(=O)[O-])O,0.512756953776889 +48416168,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,0.17102834813311169 +48416169,C1CN(CCN1CC(CO)O)C2=CC=CC=C2,1.8963604528672822 +48416170,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,1.9463262510381683 +48416171,CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C,2.3080860975675774 +48416172,CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,3.2344677889224402 +48416173,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,4.969703945088889 +48416174,CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O,1.086656181400471 +48416175,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O,5.590846602492595 +48416176,CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,3.608846035385523 +48416177,C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(C(O5)CO)O)O)O)O)N)O)O)N,1.6591079402108755 +48416178,CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O,3.305500097340896 +48416179,CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl,2.0781029297581 +48416180,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl,3.811459603103123 +48416181,C1CCC(CC1)NC(=O)N(CCCl)N=O,1.823341633251022 +48416182,C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O,1.7414680716038875 +48416183,CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,3.36035018297225 +48416184,C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,3.284002502676423 +48416185,CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3,1.7451499310271763 +48416186,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,2.4035315625539395 +48416187,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,2.483109139318258 +48416188,CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1.8954821613914892 +48416189,CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O,1.0096504878098655 +48416190,CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,4.412872975521537 +48416191,C(CCN)CC(C(=O)O)N,0.16491024811055202 +48416192,C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O,0.5344030287227008 +48416193,C1=CC=C(C=C1)C(C(=O)O)O,0.3581383703322147 +48416194,C(C(C(C(C(CO)O)O)O)O)O,-0.7390839830966351 +48416195,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,1.9621394245800579 +48416196,C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O,3.932003487376322 +48416197,CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,1.8037077237414847 +48416198,CCC(C)C(C)(COC(=O)N)COC(=O)N,1.06497566396636 +48416199,CC1(C2CCC(C2)C1(C)NC)C,2.6033369554287757 +48416200,CN(CCCl)CCCl,2.591217505595856 +48416201,CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,2.369402305304111 +48416202,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,1.064467040018231 +48416203,CNCC(C(C(C(CO)O)O)O)O,0.29051040263686806 +48416204,CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC,3.4453630717578525 +48416205,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,3.484584525808487 +48416206,CC1=C(C2=CC=CC=C2C(=C1)O)O,3.0183213496796 +48416207,CC1=CC(=O)C2=CC=CC=C2C1=O,3.7135457758352546 +48416208,C1=C(C=C(C(=C1[N+](=O)[O-])O)C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)Cl,2.2369045936676732 +48416209,CC1CCC(C(C1)O)C(C)C,1.892837533908988 +48416210,CCC(C)(C#C)O,0.7691501799866807 +48416211,C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-],2.1011563906094084 +48416212,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,1.2171906773311225 +48416213,CC1=CC=CC=C1OCC(CO)O,0.5616174756740078 +48416214,COC1=CC=CC=C1OCC2CNC(=O)O2,1.0477133178227098 +48416215,CC(C)(CC1=CC=CC=C1)NC,2.2128783080948335 +48416216,CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,1.3389581849319456 +48416217,CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2,1.3913969555105248 +48416218,CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C,1.5674235145646578 +48416219,CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C,2.6679839200498776 +48416220,CCCC(C)(COC(=O)N)COC(=O)N,0.7368944021953745 +48416221,C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53,3.285769183472404 +48416222,C1=NC2=C(N1)C(=S)N=CN2,1.784410018603407 +48416223,C(CS(=O)(=O)O)S,1.550831811721233 +48416224,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C,1.8882637856279385 +48416225,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,5.572892196933117 +48416226,CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N,1.9708760649562436 +48416227,CC(C(C1=CC(=CC=C1)O)O)N,1.302604122415013 +48416228,CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C,0.31550382943043437 +48416229,CN(C)C(=N)N=C(N)N,0.41217009722483955 +48416230,CC(C[N+](C)(C)C)OC(=O)C.[Cl-],2.6714267403274907 +48416231,CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O,1.4697426559129003 +48416232,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,2.791615084011665 +48416233,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C,2.1810308978715227 +48416234,CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O,3.2808295312029454 +48416235,CC12CCC3C(C1CCC2(C)O)CCC4=CC(=O)C=CC34C,3.653625506986524 +48416236,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-],1.7994750712864083 +48416237,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2,1.5931567707442003 +48416238,CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C,1.699482774418547 +48416239,CCC1(C(=O)NC(=O)N(C1=O)C)CC,1.5981757118767852 +48416240,CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C,1.6744432899488668 +48416241,CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42,2.7729518559215593 +48416242,CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,4.406900099081659 +48416243,CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C,0.27922815313292504 +48416244,CN1C=CNC1=S,2.057532086546795 +48416245,COC1=CC=CC=C1OCC(COC(=O)N)O,0.38245031971968146 +48416246,CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C,2.1177755305498627 +48416247,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,2.9585046755484004 +48416248,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C,1.9940519969617374 +48416249,CC(C(C1=C(C=CC(=C1)OC)OC)O)N,2.802366634781766 +48416250,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,2.5566838049453624 +48416251,CC(CC1=CC=CC=C1OC)NC,1.2534802270472223 +48416252,CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,1.0069731250861813 +48416253,CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC,5.076221992830153 +48416254,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N,0.8022784777731348 +48416255,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-],1.6920356900426365 +48416256,COC(=O)C1=CC=C(C=C1)O,1.1822641190523937 +48416257,CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F,1.5964076759728885 +48416258,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,2.3679265548044617 +48416259,CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,1.953282477634695 +48416260,CCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=O)C,2.054330563192406 +48416261,CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O,1.9994878346295295 +48416262,CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)[O-])O.[Na+],2.075805513043815 +48416263,CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)[O-])O.[Na+],2.214786229678157 +48416264,CC1=CC(=O)NC(=S)N1,1.152835300380998 +48416265,CCC1(C(=O)C(CNC1=O)C)CC,1.4389117408330483 +48416266,CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C,3.5483378856357146 +48416267,CN1C2=CC=CC=C2SC3=C1C=C(C=C3)CC(=O)O,1.3365949855227306 +48416268,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,1.6029764503833868 +48416269,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(=O)C)I,0.8800977703511816 +48416270,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I,0.7979178318772691 +48416271,CC1=NC=C(N1CCO)[N+](=O)[O-],0.710941978054463 +48416272,CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl,3.3338724983804893 +48416273,CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2,0.47957280473734926 +48416274,CC(CC1=CC=C(C=C1)O)(C(=O)O)N,0.4663880679853845 +48416275,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C,0.3055457336560109 +48416276,CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42,2.2461121993658533 +48416277,CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F,2.4724396949184517 +48416278,C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,0.8410769061763494 +48416279,CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,3.592262478214024 +48416280,COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,3.007376240826474 +48416281,CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O,1.6330580675362714 +48416282,C1C(C(C(C(N1CCO)CO)O)O)O,1.617471476027793 +48416283,CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2,3.6257632132176303 +48416284,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,2.548761765905325 +48416285,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,4.45881904190408 +48416286,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,2.7909758546745453 +48416287,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-],3.643519041753458 +48416288,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,1.9142742747916341 +48416289,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC,2.777080732079184 +48416290,CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2,1.6670386815996248 +48416291,CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C,1.867464960272522 +48416292,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C,4.541103916958402 +48416293,CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,3.54531669710777 +48416294,CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4,1.4548611897880317 +48416295,CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O,2.2326429945121613 +48416296,CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)O,2.600447413394065 +48416297,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O,0.8922712227361114 +48416298,CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C,1.7194603263568682 +48416299,CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC,0.5578025356897863 +48416300,CCCCCCC(C)(C)C1=CC2=C(C3CC(=O)CCC3C(O2)(C)C)C(=C1)O,3.5711738023582678 +48416301,CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O,1.4611373353266155 +48416302,CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,0.6174984758277349 +48416303,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32,1.5837923388097694 +48416304,C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O,2.5532066188565006 +48416305,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,0.5418019551362288 +48416306,C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O,2.6101024355832325 +48416307,C=CCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O,2.6691582313723226 +48416308,C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,3.5150442308093233 +48416309,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34,1.9159351680449046 +48416310,CC12CCC(CC1)(C=C2)C(=O)OC3CCC4C3(CCC5C4CCC6=CC(=O)CCC56)C,2.1034848053529154 +48416311,CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C,2.10965556239598 +48416312,CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35,2.086677389955885 +48416313,CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C,3.605000543109659 +48416314,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,3.383962677592066 +48416315,CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,3.2024167234360723 +48416316,CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl,1.6721038946709712 +48416317,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N,0.5083386063111108 +48416318,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,0.7886231243789514 +48416319,CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,1.5529924467411849 +48416320,C1=CC(=CN=C1)C(=O)N,1.1661583175362238 +48416321,C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2,1.9522657635497431 +48416322,CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,2.3797816764061888 +48416323,C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4,2.1434227465385343 +48416324,C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)(COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5,0.9544110483969759 +48416325,C1=CC(=CN=C1)C(=O)O,0.9933799495796818 +48416326,C1=CC(=CN=C1)CO,1.3389581849319456 +48416327,C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F,1.353674708756718 +48416328,CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3,3.5496076905163525 +48416329,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,1.8434811352529727 +48416330,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,2.765169003970288 +48416331,C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3,2.9266739745661696 +48416332,CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C,3.0342937189910533 +48416333,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],1.5527380606238266 +48416334,C[N+](CCCl)(CCCl)[O-].Cl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a+],1.4045644072704757 +48416346,CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,2.573171673040529 +48416347,CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C,3.0968161069795683 +48416348,CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,1.315055049180994 +48416349,CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O,3.00571672978183 +48416350,C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O,1.2576339186635699 +48416351,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,2.237311685383299 +48416352,CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,2.8653448577223513 +48416353,C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO,1.8615299333060111 +48416354,CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O,1.9170997901292606 +48416355,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,1.606242343642648 +48416356,CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,0.6036158118632938 +48416357,CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO,0.6679738104683044 +48416358,CC12CCC3C(C1CCC2(C)O)CCC4C3(COC(=O)C4)C,2.963902322462104 +48416359,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,2.1564171858160477 +48416360,CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl,2.5169221745860892 +48416361,CC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-],4.615232742552512 +48416362,CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2,1.8672889556979468 +48416363,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,1.019088969840577 +48416364,CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C,2.69497339782938 +48416365,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,3.030815275846431 +48416366,CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O,1.7720850286180698 +48416367,CC(C(C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC,2.592996819008436 +48416368,CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,3.3029616841690355 +48416369,CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O,2.838153040471481 +48416370,CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C,2.6829442268476464 +48416371,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O,1.1734438510112026 +48416372,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,2.2565490336310123 +48416373,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,2.1951051299697215 +48416374,CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-],3.8649087119721686 +48416375,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,2.7594931848603883 +48416376,CC(C)(CO)C(C(=O)NCCC(=O)O)O,3.2727239550221263 +48416377,COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,1.530692080637914 +48416378,CC1OC(OC(O1)C)C,-0.2768476722411903 +48416379,CCC1(C(=O)N(C(=O)O1)C)C,0.5943019746782023 +48416380,CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F,2.991736323898527 +48416381,CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)F,3.0359276141896845 +48416382,CN(CC#C)CC1=CC=CC=C1,1.6795732793063631 +48416383,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,1.2452504331339838 +48416384,C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,2.597032281231278 +48416385,CCC(=O)C1=CC=C(C=C1)O,0.4776261983367249 +48416386,C1=CC=C(C=C1)C2C(=O)N=C(O2)N,1.971778600970112 +48416387,CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O,2.340680057281585 +48416388,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,1.1466108920312308 +48416389,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],1.8978133567024404 +48416390,C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,1.9299547412086564 +48416391,CCC(C)C(C1=CC=CC=C1)C(=O)OC2CCN(CC2)C,2.7625467493002915 +48416392,CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O,2.0575499361194685 +48416393,C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O,1.3720588795266877 +48416394,CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,1.8321866121060564 +48416395,C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O,3.604444723282491 +48416396,CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,1.143494052315684 +48416397,CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC,3.798632922249102 +48416398,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3,1.7442741351511597 +48416399,CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O,3.442548141083493 +48416400,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,3.004287604356668 +48416401,C1=CC=C(C=C1)CC(=O)NC(=O)N,0.5519076901270425 +48416402,CCOC1=CC=C(C=C1)NC(=O)C,0.5544066931404201 +48416403,CC(C)(C(C)(C1=CC=C(C=C1)Cl)O)O,1.0307789114814925 +48416404,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N,1.5047401977150183 +48416405,C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3,3.0852676863026693 +48416406,CC1C(OCCN1C)C2=CC=CC=C2,1.737577389530009 +48416407,CC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC3=CC=CC=C3,0.8626268965744882 +48416408,C1=CC=C(C=C1)CCN=C(N)N=C(N)N,2.0895869249161168 +48416409,CCN(CC)CCC1(CCC(=O)NC1=O)C2=CC=CC=C2,2.5393276281225683 +48416410,C1=CC=C(C=C1)NNC(=O)N,0.7815196384542143 +48416411,CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4,2.019300496425023 +48416412,C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,1.8243751340306507 +48416413,CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,2.584951492180575 +48416414,CC1C(OCCN1)C2=CC=CC=C2,2.151658752583042 +48416415,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,2.031474558043447 +48416416,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,2.166415625152462 +48416417,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2,2.1815952772448437 +48416418,CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,2.8455912441975677 +48416419,CN1C(=O)CC(C1=O)C2=CC=CC=C2,0.5779751431414106 +48416420,CC(C)(CC1=CC=CC=C1)N,2.3779839941175043 +48416421,CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O,3.226533910489424 +48416422,C1=CC=C(C=C1)CC(C(=O)O)N,0.21798125716293407 +48416423,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,1.4890784963991417 +48416424,CNCC(C1=CC(=CC=C1)O)O,2.302604122415013 +48416425,CC(C(C1=CC=CC=C1)O)N,1.7024473873983337 +48416426,CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2,1.8846990958757281 +48416427,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,1.7028919674865586 +48416428,CCOC(=O)C1=C(C=C2C(=NNC(=O)C2=C1C)CO)C,0.14033162242236621 +48416429,C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O,0.3047407812778507 +48416430,CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C,4.217162750244504 +48416431,CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C,3.0337474776122035 +48416432,CCC1C(COC1=O)CC2=CN=CN2C,2.6196349728906103 +48416433,C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,3.4414990286495115 +48416434,C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,2.967179850561436 +48416435,CC(C)NCC(COC1=CC=CC2=C1C=CN2)O,2.3950129781429315 +48416436,C1CN(CCC1C(=O)N)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,3.206234752051648 +48416437,CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-],3.9281106318328325 +48416438,CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O,1.358044268249614 +48416439,CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-],3.239916187173672 +48416440,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO,2.1868782320205513 +48416441,CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,0.1118963597366915 +48416442,C1CNCCN1,0.11105708884525013 +48416443,C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,2.4068956656278813 +48416444,C1CN(CCN1C(=O)CCBr)C(=O)CCBr,2.074395039022752 +48416445,C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,3.4271051741166234 +48416446,CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,2.1478647729245415 +48416447,C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3,3.2581584921355007 +48416448,CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)O,1.2770470540267778 +48416449,CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1,3.7715021156622752 +48416450,CC(C)(C(=O)NC(=O)NCN1CCOCC1)OC2=CC=C(C=C2)Cl,0.9491680086252743 +48416451,CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O,4.558366125405984 +48416452,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,1.38368100736739 +48416453,CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O,2.443786780052614 +48416454,CN1C=CC=CC1=C[NH+]=O.[Cl-],0.7146272491006949 +48416455,CCCNC1CCC2=C(C1)SC(=N2)N,3.324955264044107 +48416456,CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O,1.8329663787892065 +48416457,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O,2.8037795860746964 +48416458,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,2.5116283964010258 +48416459,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,2.2882248171708435 +48416460,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,2.0343933658729956 +48416461,CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O,2.0823007553539163 +48416462,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)C=CC34C)O.[Na+],2.1610521027734064 +48416463,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O,2.313210057001646 +48416464,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O,2.1389772467874293 +48416465,CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C,2.1647255360772184 +48416466,CC(C)NCC(COC1=CC=C(C=C1)O)O,2.830287368512336 +48416467,CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-],2.285971332477358 +48416468,CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2,2.538819732269308 +48416469,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,1.4183131129764364 +48416470,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,1.2326756454986862 +48416471,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,0.672698294068772 +48416472,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,1.566833638637197 +48416473,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,2.3500890609040206 +48416474,C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O,2.9361039618740055 +48416475,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1,1.0977680487946084 +48416476,CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31,1.2312420588895476 +48416477,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C,2.2312420588895474 +48416478,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-],2.5547492912585326 +48416479,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C,2.611449454437223 +48416480,CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C,1.6169983520567268 +48416481,CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2,2.042006951183079 +48416482,CC(C)C1=C(C(=CC=C1)C(C)C)O,1.853140484269527 +48416483,CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C,1.7178901899623784 +48416484,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,1.3844918284718368 +48416485,CC(CC1CCCCC1)NC,1.7931768214577817 +48416486,CCCOC(=O)CN1C=C(C(=O)C(=C1)I)I,0.650314602189686 +48416487,CCCOC(=O)C1=CC=C(C=C1)O,1.255756317968087 +48416488,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C,0.8851822580957935 +48416489,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,1.1435659742378095 +48416490,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,2.153795299818807 +48416491,CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O,4.104671948153915 +48416492,C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N,4.638523372126082 +48416493,CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)C(C(C7C5(CCC(C7(O6)O)O)C)O)O)(C)O,4.3227417176514376 +48416494,CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13,2.420577703777029 +48416495,CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O,0.7749596504886395 +48416496,CC(C(C1=CC=CC=C1)O)NC,1.6160339133312336 +48416497,CN1CCCN=C1C=CC2=CC=CS2,1.0134844406996228 +48416498,C1=CN=C(C=N1)C(=O)N,0.6131818962444616 +48416499,C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-],1.1158029815162598 +48416500,CC1=NC=C(C(=C1O)CO)CO,1.404217282425841 +48416501,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,2.35851994029717 +48416502,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,2.2987852926740704 +48416503,C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3,2.317852214937223 +48416504,CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O,2.3622541723077153 +48416505,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,1.4599221634885264 +48416506,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O,2.5181333173167118 +48416507,CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl,1.9395628145398203 +48416508,COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O,1.511103959306508 +48416509,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,1.6753965735813912 +48416510,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O,3.0971820751256933 +48416511,CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,3.2291899476482415 +48416512,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O,2.5904015982605775 +48416513,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC,4.579862645406175 +48416514,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,4.784388870387151 +48416515,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,2.494681765165951 +48416516,C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N,0.08672405242381244 +48416517,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O,2.8766384412537036 +48416518,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O,2.9603202293912436 +48416519,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,1.6143383261125817 +48416520,CC(C12CC3CC(C1)CC(C3)C2)N,1.7311413250058636 +48416521,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,2.3047977277627942 +48416522,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,3.531313048229095 +48416523,CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C,3.0974945322635925 +48416524,CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3,2.7313377981319316 +48416525,CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],2.705919739885943 +48416526,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,2.576777070528699 +48416527,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCCC5)N(C)C)O,1.9566102109826184 +48416528,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O,3.5514668141807784 +48416529,C1=CC=C(C(=C1)C(=O)N)O,0.5006635180160288 +48416530,C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,5.472511880112008 +48416531,C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,0.5878739124730582 +48416532,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4,5.963434976169964 +48416533,CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC=C.[Na+],1.8929766813660005 +48416534,CC(CC1=CC=CC=C1)N(C)CC#C,3.049776850011033 +48416535,C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,1.7131619499409871 +48416536,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,1.9636026836483034 +48416537,CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,3.048982247406636 +48416538,CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,2.4535893722429845 +48416539,COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,1.8383415668656047 +48416540,CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,2.797637030677072 +48416541,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,3.8306930204701817 +48416542,CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O,2.173697090561325 +48416543,CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C,0.6301406017417447 +48416544,CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C,0.6177415495921496 +48416545,CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C,1.9547474530563873 +48416546,C1COC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F,1.7531421177927962 +48416547,C(C(C(C(C(CO)O)O)O)O)O,-0.6601641617850629 +48416548,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,1.7084224896554252 +48416549,CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F,1.7696021750959192 +48416550,C1CCN2CC3CC(C2C1)CN4C3CCCC4,1.3699211246676142 +48416551,CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O,0.6974699390476506 +48416552,C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl,1.8084260366775982 +48416553,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C,1.1017290910527748 +48416554,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C,1.122861415393706 +48416555,CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C,1.1296897532250891 +48416556,CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O,1.4635754013504871 +48416557,CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)NC)(C=O)O,1.570376897417314 +48416558,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,0.39018369844701856 +48416559,C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75,2.679183049615015 +48416560,C(C(C(=O)O)S)(C(=O)O)S,1.2605914368070656 +48416561,C(CC(=O)O)C(=O)O,0.072205816355053 +48416562,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-],2.516481168641448 +48416563,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC,4.18926624863121 +48416564,CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C,0.5436795246256261 +48416565,CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N,1.2461175572982501 +48416566,COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,0.9693800411112381 +48416567,COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N,1.0938821597407737 +48416568,C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N,1.0298805601882242 +48416569,CC1=C(OC(=N1)NC(=NS(=O)(=O)C2=CC=C(C=C2)N)N)C,0.8883813227109852 +48416570,COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N,1.0496877315473554 +48416571,CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N,0.5979777603371372 +48416572,COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,1.0496877315473554 +48416573,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,0.745589700923024 +48416574,CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N,0.6077710005104339 +48416575,CC1=NC(=CC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N,0.9463915027799918 +48416576,CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,0.9045621317949432 +48416577,C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4,1.4830470580947381 +48416578,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,0.6028807143163191 +48416579,CC1=C(ON=C1C)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N,0.6663109582960948 +48416580,C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],2.2242723483438205 +48416581,COC1=NN=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,0.7928532422710285 +48416582,C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+],1.95274071296639 +48416583,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,1.7278240921865486 +48416584,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,0.4764590264920041 +48416585,C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N,1.462935596202554 +48416586,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC,1.2485422867922753 +48416587,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,3.169381181932068 +48416588,CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC,4.124970006936742 +48416589,CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,1.8282998680220945 +48416590,CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N,4.487352952580085 +48416591,C(C(C(=O)O)O)(C(=O)O)O,0.6992219682121121 +48416592,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],1.8527752057358253 +48416593,CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3,1.0796021944820546 +48416594,C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O,1.1934774756555417 +48416595,CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C,2.587631865482804 +48416596,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,3.080256847731343 +48416597,COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O,1.972238721271502 +48416598,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,3.0657520978322106 +48416599,CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21,1.0331705140497003 +48416600,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,2.9547905003619417 +48416601,CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O,2.3726116098442134 +48416602,CC1(CCC(CC1)C(C)(C)O)O,0.9351677802614262 +48416603,CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C,1.8575510884169193 +48416604,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,1.1253633946319863 +48416605,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,1.5878806379266126 +48416606,CN1C2=C(C(=O)N(C1=O)C)NC=N2,1.31764911139928 +48416607,CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-],2.2555724455649777 +48416608,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,0.8527504522065918 +48416609,CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl,0.9539850491409922 +48416610,CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C,2.902673264284227 +48416611,C1=NC2=C(N1)C(=S)N=C(N2)N,1.49001698717537 +48416612,CCCC(C)C1(C(=O)NC(=S)NC1=O)CC,1.7642847456489572 +48416613,CC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,2.4732485969670504 +48416614,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,2.825820944925348 +48416615,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC,1.4450241215315034 +48416616,C1CN1P(=S)(N2CC2)N3CC3,2.674903234598899 +48416617,CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,2.9480452566908264 +48416618,C1=CNC(=S)NC1=O,1.5852689222834222 +48416619,CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,1.816220693207509 +48416620,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O,0.3842255944596211 +48416621,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,5.19137856629106 +48416622,CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C,2.545281637155999 +48416623,CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC,1.6923135988437135 +48416624,CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O,1.415487857287048 +48416625,C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O,1.8522834937867594 +48416626,CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O,3.874639117243359 +48416627,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C,0.1076927564364496 +48416628,C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl,1.8011148309100213 +48416629,C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl,1.5994067559783696 +48416630,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2,1.9143063609068387 +48416631,C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-],2.426399766226535 +48416632,C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F,3.2983171967909466 +48416633,CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,2.5002634436131226 +48416634,C1C(NCS1)C(=O)O,1.124402858435403 +48416635,CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C,0.8707291398786847 +48416636,CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N,1.801290690899655 +48416637,CC(C(=O)NCC(=O)O)S,0.6902612725230665 +48416638,C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl,2.62618905513929 +48416639,C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N,1.7155534739159957 +48416640,CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C,2.184638124441557 +48416641,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,1.270601920717501 +48416642,C1CN=C(N1)CC2=CC=CC=C2,1.9036740713683027 +48416643,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,0.9094774290530533 +48416644,CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],1.9140996252949312 +48416645,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,1.6908341797305442 +48416646,CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2,1.6094446251762065 +48416647,CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C,1.706537999923413 +48416648,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3,2.086038406699501 +48416649,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,2.019658874132901 +48416650,CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O,1.5964488310866376 +48416651,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,2.907282863363041 +48416652,COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC,1.816018781085408 +48416653,C1C(C1N)C2=CC=CC=C2,2.1244728438488014 +48416654,COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O,3.061188174945826 +48416655,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,1.8811270923033492 +48416656,CCOC1C(C(C(O1)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O,1.556100513952797 +48416657,C(C(Br)(Br)Br)O,0.4514128294095947 +48416658,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl,3.756406409847606 +48416659,C(C(Cl)(Cl)Cl)OP(=O)(O)O,0.8381171399590622 +48416660,CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-],2.0265216182043346 +48416661,C(CNCCNCCN)N,0.6426045463255696 +48416662,C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F,3.4883144550913476 +48416663,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F,2.149116774533369 +48416664,C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O,3.081298808504544 +48416665,CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C,1.6146779874051351 +48416666,CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C,1.588237236085868 +48416667,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C,2.252148681708761 +48416668,CC1(C(=O)N(C(=O)O1)C)C,0.5537067649153136 +48416669,CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5,3.9517019491812833 +48416670,CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC,1.3666264935926753 +48416671,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,1.736146247053902 +48416672,COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOCC2,0.7502074939525446 +48416673,CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC,2.4811584887630627 +48416674,CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,1.9465450749741355 +48416675,CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C,3.1356817837632907 +48416676,CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2,1.407149553758066 +48416677,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3,3.221939237059522 +48416678,CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O,1.6449701436429534 +48416679,C(CO)N(CCO)CCO,1.1737346680873328 +48416680,CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C,1.3881630894692019 +48416681,C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-],3.0270838010232346 +48416682,C(C(CO)(CO)N)O,-0.3938523613907108 +48416683,C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-],3.3303772680893364 +48416684,COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2,1.7698884265008656 +48416685,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,0.31010891949767727 +48416686,C[NH+]1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-],3.0094325125023547 +48416687,CCCCNC(=O)OCC(C)(CCC)COC(=O)N,0.7393443779740321 +48416688,CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+],1.1225457198672057 +48416689,C1=CC(=CC=C1CC(C(=O)O)N)O,0.2581309500338601 +48416690,CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,1.5939199043995078 +48416691,CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N,0.8120254811946291 +48416692,CCCC(CCC)C(=O)O,0.5388632858452261 +48416693,CCCC(CCC)C(=O)N,0.6335789107112998 +48416694,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O,1.9122789050576847 +48416695,CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-],3.804637323558229 +48416696,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,1.6472291702454789 +48416697,CCC=C(C)C1(C(=O)NC(=O)NC1=O)CC,1.8282998680220945 +48416698,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O,3.8439053693605723 +48416699,CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC,2.8456612507022117 +48416700,C1C(NC(=NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N,1.0120018857591844 +48416701,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,3.266296486967569 +48416702,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O,1.2399961791375225 +48416703,CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N,2.725867562327097 +48416704,C1C(C(C(C(O1)O)O)O)O,-0.44366813993338056 +48416705,CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC,2.936051482328065 +48416706,C1CC(OC1CO)N2C=CC(=NC2=O)N,3.7506988921268314 +48416707,CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,2.785805430638421 +48416708,CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N,2.9990976056427674 +48416709,CC1CCCC(CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O,5.809419004305767 +48416710,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],1.4269031804591579 +48416711,CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,0.7713866530953991 +48416712,C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54,2.1893710163628826 +48416713,CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl,1.4649807246405138 +48416714,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O.Cl,1.9887595256336668 +48416715,CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl,1.64589348251385 -- cgit v1.2.3