smiles,gap O=C1NC2C3CCC12O3,0.2433 ON=C1C=C2CC3C2C13,0.1439 CCCN=C1CCO1,0.2778 NC12C(O)CC1OC2=N,0.2586 CNC(=[NH2+])OCC([O-])=O,0.1391 CC1CC(OC1=N)C=O,0.2143 CC1CCC(=O)NC=C1,0.2147 COCC(O)C(F)(F)F,0.3316 c1cn(c(n1)CN)C=O,0.1941 C#CC1CC2C(C#N)N12,0.2563 CC1CCC(CO)C1,0.3411 CC#CC1CC2C(C)C12,0.2913 OC1CC1CCCC=O,0.2285 CC1C2C(C)=CCC12C,0.2449 CC1C2OCC=CC12O,0.2307 OC1CC=CC2(O)CC12,0.2447 OCC(O)C1=CNN=N1,0.234 CC12CC=CC(O)C1O2,0.2663 O=C1OC2C(CC#N)C12,0.2739 C1OC1C1CCC2CC12,0.3421 NC1=CC=C(F)C(=N)O1,0.1616 O=CC1=CC(OC1)C#C,0.1897 OC(CC#N)C#CC#N,0.2389 N=CN1C=NCC1=O,0.2266 CC1(CCC2CC2)CO1,0.3473 CC(O)C#CC(C)CO,0.2899 COCC(O)C(C)CO,0.3324 CC12CCC(C1)C(O)C2,0.3337 CC(O)C1CC(=N)O1,0.2903 COCC12CC1CCO2,0.313 CC12C3N1C1CC=C3C21,0.1614 c1nc(=O)c(no1)N,0.1904 N=COCC1CCOC1,0.2787 CCC1CC2(OC12)C=O,0.2204 OC1CC2(O)C1NC2=N,0.2583 c1c(ncoc1=O)N,0.1893 CC12CCN3C(CO1)C23,0.3173 CC1=C(O)C(=N)C=NN1,0.1649 c1c2c([nH]cn2)n[nH]1,0.2125 CC(C)C(=O)CCCO,0.2314 CC1C(O)CC(=O)N1C,0.2665 CC12OC3C4C(CC14)C23,0.3183 CC12CC(O)C3C1OC23,0.2984 CC12COCC1NC2=O,0.2753 CC(=O)C(=N)NCC#N,0.1983 c1nc2ncnn2nn1,0.1649 N=C1NC(=CCO1)C#N,0.1818 CCC12OC3C1OC23C,0.3004 C#CC12CC3C(CC13)C2,0.2954 c1c2c(cno2)[nH]c1N,0.1931 CC#CC#CC1CC1O,0.2135 CN1C2CCC12C=O,0.2183 OCC1CCCC=CC1,0.2572 CC1CC2(O)CCC12O,0.3097 OC1CC(O)C1,0.3216 ON=C1CC2C(C#C)C12,0.2409 N#CCC12CN3CC1C23,0.2666 COCC1OC(C)C1O,0.2989 CC1OC11CC(O)C=C1,0.2434 CC1N=COC2CC12,0.2704 ON=C1CN2C(C=O)C12,0.1916 O=C1C2(CC2)CC11CN1,0.2111 COC=Nc1cnco1,0.182 Cc1c(nc[nH]1)O,0.224 C#CC12CC(N1)C21CN1,0.2601 CC(C)n1ccnc1O,0.2516 C1CC(O1)C1=CNC=C1,0.2472 O=C1C2CC1C(C2)C#N,0.2286 CC1CNC2=C1NN=N2,0.201 C1C2C3C4C=CC(C14)N23,0.2414 CC(=O)N1N=CNC1=N,0.1993 c1cnnc(n1)F,0.1673 N=C1OC=NC(=N)N=C1,0.1837 C1C(=CC(=O)C1=O)C=O,0.1183 CC1OC2CC(O)C2=C1,0.2336 OC1CCC(O)C1C#N,0.2884 COC1C(CC1=O)C#C,0.199 OC1C2C3CC4C3C1N24,0.2883 COCCNC(=N)C#N,0.2112 OC12CC3CCOC1C23,0.2987 CCC1OC1(C)C1CO1,0.3317 OCC1C2CC2C1C=O,0.2223 CC1C2CCC2OC1=O,0.2771 COCCn1ncnn1,0.2472 O=C1OCC2C3CC12N3,0.2443 CCC#CC1CC1C#C,0.2639 CNc1c(con1)CO,0.2326 CCCC(=O)C(=O)C,0.1577 N=C1OC=CC(=N)N=C1,0.1653 CC1C(=O)C2(O)CC12C,0.2197 OC1C2OC2C1CC#C,0.3088 CN(CCCC#C)C=O,0.2707 Cc1coc(c1C#N)N,0.2075 CCC(C)C(C)(O)C#C,0.3 CC1(C)CC11OCC1O,0.2825 O=C1CC2C3COC1C23,0.2101 N=C1OCOCC11CN1,0.2543 c1c(c(=O)[nH]nn1)CO,0.1827 CN(C)C1(COC1)C#N,0.2629 CC1(CN(C=C1)C=O)C,0.2089 CCC12OC(C=C1)C=C2,0.2006 c1c2c(ocn2)oc1N,0.2152 N=C1CN=CN1C=O,0.2174 OCC1C2C1C1CC2C1,0.3245 CC1(CC#C)CNC1=O,0.2751 CC1OC(C)C1C#N,0.2851 c1cncc(c1O)O,0.2225 C(CO)COCCC=O,0.2284 OC1C(O)C1C(=O)C=O,0.1554 NC(C#N)C1(O)CC1,0.2966 OCCCC1COC=N1,0.2699 CC1C2CC3(CC3)CC12,0.3347 CC1(C)OC2CC12CO,0.3 Cc1c(nc([nH]1)O)C=O,0.1894 Cc1ccncc1OC,0.2124 COC1C2C1C1CCC21,0.3124 FC1=NC=C(F)C(=N)O1,0.1859 CN1CC1C1CCO1,0.2953 COC1COC1(C)C=O,0.2121 CC(CC1CCC1)C#N,0.3379 Cc1cc([nH]c1O)C#C,0.1897 ON=C1C2CC1C2C#C,0.2697 CC(CCO)C(C)(C)O,0.3276 CC12C3COC(C13)C2O,0.3356 OC1C2CC(C=O)C12,0.2149 C1CC2(O1)C1C3OC1C23,0.3032 c1cnnc(n1)N,0.1667 CC1(C)C2CNC(=O)C12,0.2671 COC(=O)C(O)C(C)=O,0.2237 C1CC(=CCOC1)C=O,0.1942 CC1CCN(C=O)C1C,0.2656 CN1CC1(CN)C#N,0.2702 CCCC(CC)C(C)=O,0.2301 OC12CC1C1(OC21)C#N,0.2446 NC12CC(OC1=O)C2O,0.2442 COC1CC2CC1C=C2,0.2524 CC(C1CO1)C1CCC1,0.3455 NC(=O)C(O)C#CC=O,0.2016 CC1OC2CN(C)C12C,0.2787 OCC1(CO1)C1CCO1,0.3188 ON=C1CN2C(C#C)C12,0.2263 CCN1C=CC(=O)C1=N,0.145 C(CNCC#N)C(=O)N,0.2697 CC(=O)C(=N[O-])C(N)=[NH2+],0.1454 CC(O)C(=N)OCC#C,0.2644 OC1(COC1=N)C#N,0.2678 CC1=C(OC=C1)C1CN1,0.2186 C#CC1CN1C1COC1,0.2641 O=C1OCC(C#C)C1=O,0.1673 CC1OC(=O)C1C1CC1,0.2745 CC(CC#C)N1CC1,0.2873 COC1OCC2NC12,0.3145 CC1C2NC1(C=C2)C#N,0.2228 CC1CC2OC(=O)C2N1,0.2339 CC1NC1(C#C)C1CC1,0.2829 CC(C)(O)C1NC1CO,0.3112 CC(OC1CCC1)C#N,0.2939 CCC1C2C3C2C(=O)N13,0.244 COCCC1(CC1)C=O,0.2291 N=C1NCC=CC(=O)N1,0.1825 OCC12CCCC1N2,0.3138 CC(OCC#N)C(N)=O,0.2524 CC1=CCCC11CN1,0.2417 O=C1NCC2CN2C=C1,0.2048 CC1C2CC1(O)C21CN1,0.3094 CC1CCC2(CC2)CO1,0.3285 OC12C3C4C3N(C14)C2=N,0.2377 CC1C2C3N4CCC13C24,0.2957 N#CC1C2C=CC1C=C2,0.2122 CC#CC1=COC(=N)N1,0.1779 Cc1cc([nH]c1O)NC,0.2259 C1C2CC11C=CCC1C2,0.2511 O=CC1OC11CC=CC1,0.2162 Cc1nc(co1)C=O,0.2019 CC1C2CN2CC1(C)O,0.3045 CC1CCCCO1,0.3314 CC1=CC2OC1OC2=O,0.2254 CC(CC(N)C#N)C#N,0.2969 Cc1coc(c1OC)C,0.2317 O=CNC1COC11CC1,0.2581 CCOC(=NC)C#CC,0.2272 C1OC23CC4C(C2)N4C13,0.2954 CC1NC1(CC#N)C=O,0.2249 OCCC1C(O)C2CN12,0.294 CC1C2OC3C2C13C#C,0.2597 CC(O)C1CC(C)(C)C1,0.3284 CCC1=C(C)C(=N)OC1,0.2173 CN1N=NNC(=N)C1=O,0.1965 CCC1C(C)C(O)C1O,0.2933 CC1=CCC2C3CC3C12,0.2591 CCC1CC11OCC=C1,0.2246 CCCN=C(C=O)NC,0.154 CC1C2C=CCC12C,0.2452 OC12CCC1CC21CO1,0.3067 COc1ccoc1C#N,0.1945 NC1=NC(=N)N=NO1,0.2421 c1coc2c1c(n[nH]2)O,0.2263 OCC12CC1C(O)C2=O,0.2114 CC12OC1C1CC2C1=O,0.2411 CCC(C)([NH3+])CC([O-])=O,0.2756 CN1CC1(CC#C)C=O,0.2157 c1cnc(cc1C#N)O,0.188 CC(O)C1CCC11CO1,0.317 CC1CC2(O)CN1C2,0.294 c1nc2c(o1)CCC=C2,0.1883 COCCC(O)CO,0.315 CC12NC1C1OC21,0.2769 CC1C2NC1(C#N)C2=O,0.2463 C1C(=O)COC(=N1)C=O,0.1789 O=C1C2OC2C2CCN12,0.2405 Cc1cncc(=O)nc1,0.1656 CC#CC1CC1CC#N,0.2726 CC1C2CC1C(C)C2,0.3731 C1OC2C3OCC12CO3,0.3068 CC12CC1CC2C#C,0.2996 O=CCC(C#N)N1CC1,0.2298 N#CC1CC2CNC2=N1,0.2482 CC1C2C1C1C(C)CC21,0.3098 COC(C)CC(=O)OC,0.2641 COc1cc(=O)cco1,0.2015 C1NC11C2C3C=CC1N23,0.2124 CC1=C(N)C(=N)ON=N1,0.1628 C#CC1=CC2C3OC2C13,0.1842 OC1CCOCC1C#C,0.2971 OC1CC2CCC3C1C23,0.3196 CN(C)C(C#C)CC#N,0.2529 C#CC1=CC2OC2C1,0.1979 OC12C3C4C1CCC2N34,0.2772 Cc1c(c(c[nH]1)O)C=O,0.1641 CCc1cc(oc1)C,0.2348 CC1CC(C)C(C=O)=C1,0.1927 O=C1C=CC2(CO2)C1=O,0.1381 CCCC1=CCCOC1,0.2595 CC12CC1C1(C)NC21C,0.2714 CC1(CO)OC(=O)C1O,0.2608 N#CC1C2NC2C2NC12,0.2865 CC1(C)NC1C1(O)CC1,0.2923 N=C1OCC2NC2C=C1,0.2023 CCOC(COC)C#C,0.2846 CC1(O)CC1(O)C#N,0.2822 CC1OC(C#C)C(C)=C1,0.2523 CC1(C)C2COC2C1=O,0.1973 Cc1ccc(oc1=O)C,0.176 CC1CC2(CC2)C1=O,0.2156 OC1CCC2CC3C1N23,0.2934 CCC1OCC1(C)C=O,0.224 CN=c1[nH]cc(o1)CO,0.2111 C(C#CC#CC(=O)N)O,0.1994 CC#CC1OCC(=O)O1,0.2747 CC#CC1OC(=N)C1O,0.2718 C#Cc1nc(c(o1)N)O,0.1597 CN1CC1C1CC1(C)O,0.2924 CC1OCC2(NC12)C#C,0.2659 CCCc1cc(no1)C,0.2472 OCC1(CC(=N)O1)C#C,0.2788 OCCC(O)COC=O,0.2847 CC12CC1(CO)CCC2,0.3293 CC1OC2CC2C(C)O1,0.3308 CC1(C)C2C3OC1OC23,0.3255 COc1c([nH]c(=O)[nH]1)O,0.2268 CC12CC1(CC=C2)C=O,0.215 CC12CC(C1)CC2=NO,0.259 Cc1cc[nH]c1,0.2515 CC1C(C)C1OC(N)=O,0.3107 CC1C2CC1C(O2)C#C,0.2784 CC(COC=O)CC=O,0.2288 CC(C)c1cc(co1)O,0.2248 CC1(C2CO2)C(O)C1O,0.2841 OCC(CC#C)C#N,0.2961 COC1(C)C(O)C1C#C,0.2695 OC1(CC1NC=O)C#C,0.2586 NC(=[NH2+])C[C-](C#N)C#N,0.1365 CC1C=CN2C=NC=C12,0.2014 c1c(n2c(n1)CCC2)O,0.2414 CC1=CCCCC2CC12,0.2363 OCCCOC(=N)C#N,0.2242 CC(N)C(=O)NC(C)=O,0.2138 CCc1cc([nH]n1)C#C,0.2121 Cc1ccoc(=O)c1O,0.1725 N#CC1C2CCOC12,0.2761 COC(C)C1=NNC=C1,0.2617 N=C1N=NNN=C1C#C,0.1556 CC1(C)C2C1C1CC2C1,0.3367 OC1CC2CC2C11CC1,0.3243 CC1C2C3OC(C23)C1=O,0.2099 C1OC1C1C2C3CC2C13,0.3505 CC#CC1=CCC2OC12,0.1973 O=C1CC23CC(O2)C13,0.2217 c1c(c(n[nH]1)N(=O)=O)N,0.1512 O=CCC1C2C3CC3N12,0.199 CC12NC1C(O)CC=C2,0.2412 CC1OCC(O1)C1CO1,0.3384 OC12CC3C1C2C1CN31,0.3029 NCC1(NCC1N)C#N,0.2642 CCCC1(O)CC=CC1,0.2661 CC1C2CCC3OC2C13,0.3083 O=C1NC2=CCCC2O1,0.2389 CC1(C)OC(=N)C1C#C,0.2847 N=C1CC(CCO1)C=O,0.2271 CC1N2C=NCC12C#N,0.2374 c1c(ncn1C=O)N,0.162 NC(=O)C1C2C3NC3C12,0.2586 CC1C2C3C4C(N24)C13C,0.3018 CC(C)(C1CC1)O,0.3358 CC(O)C1NC1(C)C#N,0.2829 N#CC12C3C4C3N1C24,0.2363 c1cnc(c(c1F)N)F,0.2072 CC1(C=O)C2OC2C1O,0.2232 CC1C(C)C2=CC=CN12,0.2479 N#CCOC1=CN=NO1,0.1802 OC1CN=COCC1=O,0.2092 CC1(CC2(C1)COC2)C,0.3015 CCC1(CC(=O)N1)CC,0.282 CC#CCCC#N,0.2878 OCC1=NC(CN1)C=O,0.2032 C1NC1C1OC2CC1C2,0.3152 CC1(CCCC1)C#N,0.3465 CCC(C#N)C1CCO1,0.2944 CCC1(CC1)OC,0.3303 CN(C1CC1)C(=O)OC,0.2839 N=C1NC2=C(OCO2)O1,0.1877 Cc1c(cccn1)NC,0.1943 N=CN1CC2CN2C1=O,0.2355 CC(C)c1cnc[nH]1,0.2491 CNc1ccc(cn1)F,0.1804 OCC1CCN1CC=O,0.2106 C1C2C3CC22N=COC132,0.2472 Cc1c(=O)cnccn1,0.158 CC(C)(C(=O)C#N)O,0.1909 C1C2CC3=CCC1C23,0.218 COC12CC3C1CC23O,0.3282 CC1(CC1)[NH2+]CC([O-])=O,0.2683 Cc1c([nH]nn1)C#N,0.2186 CN1C(CC#N)C1(C)C,0.2637 CC1CC(O)C1=O,0.2217 COCC1OCOC1=N,0.2755 CC(=O)C1NCC1=NO,0.2103 COC(COC=N)C#N,0.2776 c1ccnc(c1)O,0.2133 CCOCCNC=O,0.283 OC(C1CN1)C1CCO1,0.2838 OC1C2C3C2C1(O)C3=O,0.2467 CC12CC1COC(=O)N2,0.2893 CCOC1C2NC2C1O,0.2989 CNCc1ncno1,0.2106 CC1(C)OC(CO)C1O,0.2981 c1c[nH]c(c1O)C#N,0.2033 CCC12OC1C1CC21O,0.2874 CN1CC(C1)(C=O)C#N,0.1799 CC12CC(OCO1)C2O,0.3183 CC1=CC2NC2CC1,0.2392 CC1CC11CC(C)O1,0.3061 CCOC(=N)C(C)C=O,0.2179 OC1CC(C#C)C1C=O,0.2122 CCC(=O)N1CC1C#C,0.254 Cc1cc(on1)CO,0.2462 [NH3+]CCC1=C([O-])C=NO1,0.211 N=C1OCC(CC#N)O1,0.2871 CC1C2CCC1N=CO2,0.2695 CC(=O)CCC1(CC1)C,0.234 CC(CC#CC#N)C#N,0.2439 CC#CCc1ccoc1,0.2425 CC1(OC=N)C2CC1C2,0.2826 OC12COC1C1(CO1)C2,0.285 CCOc1cc[nH]c1C,0.2241 CC1=CC2(C)C3CC2C13,0.2244 OC1C2CC1C=CC=C2,0.1765 CC1CC1OC(N)=O,0.3151 Cc1c(oc(n1)C)C,0.2333 C1COC(OC1)C#N,0.3019 CC1CC2=CC(C)OC12,0.2357 CC(=O)C1CCCOC1,0.223 C1C23COC12CCCC3,0.2971 COC12CC1C1C2N1C,0.2781 CC(O)(CC1CO1)C#N,0.3186 NC(=O)C1OCC(=N)O1,0.2552 Cc1c(occ1OC)C,0.231 O=C1OCC=CC2NC12,0.2259 CC1(CC1)N(C)CC#N,0.2598 C1CC11CCCC2OC12,0.3395 O=C1C=C2C3C4C1C2N34,0.1447 OCC1C2C(O)C2C1=O,0.2229 CCc1cncoc1=O,0.1925 C1OC23COC12COC3,0.29 OC1C2CC1(C2)C1CN1,0.3074 C1CN1C12CC(C1)OC2,0.3179 N=C1OCC2NC2C1=O,0.1953 CC1(CC1)C(O)C1CC1,0.3431 O=C1C2NC2CC1C#N,0.2101 CC12CC1COC=N2,0.2513 CN1C2C3NC3C1C2=O,0.2206 OC1C2C3N2CC13C#N,0.2653 NC1(C=CCC1O)C#N,0.2487 O=C1C=CCC2CC1C2,0.1887 CCC1=CC(=N)NN=C1,0.1598 CC1C(CO)C2OC12C,0.3177 Cc1cc(nc(n1)O)F,0.2241 CC12CCC11CC(C1)O2,0.3184 OC12CC3C(C1)C3C=C2,0.246 c1c(c(c([nH]1)O)O)C#N,0.1886 CCC(=O)N(C)C=O,0.2274 CC(C)Nc1c[nH]cn1,0.2168 OCC1(O)C2NC(=O)C12,0.2451 CC(C)(O)C1CNC1=O,0.2764 CCC(O)CC1CCO1,0.3084 O=C1OC2CC12C1CO1,0.2694 CCC(C)(N)C#N,0.2918 CC12C3C4N1C4(CO)C23,0.2792 CC#CC(=O)N1CC1C,0.2181 C1OCC2C3OC2C3O1,0.3144 COC(CC#CC)C#C,0.2756 N=C1OC2CC12C=O,0.2194 c1c2n(cn1)CCCO2,0.2318 CCC1C(O)C1C(C)C,0.3032 CC(C)(CN1CC1)C#C,0.295 NC12C3CN=C1OC23,0.1521 OC12CC3C1OC23,0.3 C1CC23CC(C2)OC13,0.3185 CC#CC1C(C)C1CO,0.2806 Cc1ncc(o1)CC=O,0.2 c1c(nn(n1)C2CC2)O,0.2219 C1C=CC2C3OC3CC12,0.2606 CC12CC1C(=O)NC=C2,0.2109 c1cncc2c1con2,0.1594 OC12CCC1C=CC2,0.2614 CC12OC(=O)C1CC=C2,0.2575 C1OCC23COCC2C13,0.3467 CC1(C)NC(=O)NC1=N,0.2596 CCc1c(c[nH]n1)O,0.2357 CC#Cc1cc(n[nH]1)C,0.2099 COC1(CC2NC12)C#N,0.2672 c1c(nncn1)O,0.1709 C#CC12CC3C(CC13)O2,0.2748 NC(CNCC#N)C#N,0.2695 C1OC1C1=COC=C1,0.2377 CN1C2C1C1(CN1)C2O,0.3028 OCC1CCC2CN2C1,0.2875 CC12CC1C1C(C#C)C21,0.2516 CC1=CCCC2CCC12,0.2569 OCC1OCC2CC1C2,0.317 CC12CC1CC2C(N)=O,0.266 CCC1NC11CNC1=O,0.2707 CCCCC1(CC1)C,0.3464 CCCCCC1CC1O,0.3338 c1c(ocn1)C(F)(F)F,0.2455 C1COCC=C1C#N,0.2234 OCC(O)C1CC(=O)C1,0.2229 CN1CC(=O)N(C1=O)C,0.2459 c1c(c[nH]c1CO)C=O,0.1908 CC1CC1C1OCC=C1,0.2488 COC1C2CC(=O)OC12,0.2684 C1CN1C1COC11CC1,0.3022 c1c([nH]cn1)NC(=O)N,0.2181 Cn1ccc(=O)c(n1)O,0.184 CC(C)C(C)C(C)(C)C,0.3638 CC1CC(CO)C1CO,0.3285 COCC1C(C)N1C=O,0.2627 OCC(C#C)C1COC1,0.2862 CC(O)CC(C)C1CO1,0.3271 CCCn1cnnc1,0.2664 CCC1=NOC(=N)N=C1,0.1607 O=C1CC2OC3C(O2)C13,0.2248 O=C1CCOCC1C#C,0.2158 CCCC1(C)C(C)C1O,0.2973 CC#Cc1ccc(o1)N,0.1798 CC1C(CO)C2OCC12,0.3058 CC1N2C3CC1(C#N)C23,0.2668 OCCC(O)CCC=O,0.2299 OC12C3C4C5C1C(C23)N45,0.2922 C1C2COC3CCC12C3,0.3181 CCC(C)C#CC(C)O,0.2876 Cc1c(cc[nH]1)C#C,0.2167 CN1CC(=NO)C1,0.2255 CC1=NC(=N)NC(O)=N1,0.1961 CC1C2CC2(C)C=C1C,0.2429 COC(=O)C1C2CCC12,0.2673 CC1NC(N)=NC1C#N,0.2625 C(=O)C#CC#N,0.1843 CC1(OC1C1CC1)C#N,0.2909 CC1=CC(=N)NC(=O)C1,0.2115 COC12C3CC1(C)CC23,0.3033 CCC1=CNC(=O)NC1,0.2208 CC(O)(C1CN1)C1CN1,0.302 COC1(C)C2C3OC3C12,0.2704 N=C1CN2C=NC=C2O1,0.2068 CC1NC(C)(C#N)C1=O,0.217 CC(=N)OCC1CN1,0.2777 CC1NC1(C)C(O)C#N,0.2562 CCCOCC1COC1,0.3277 C1CC1C(=O)N2CC2,0.2511 Cc1c[nH]nc1C(=O)C,0.2047 C1CC12CC=CC=CC2,0.1903 O=C1OCC2CC2C1=O,0.185 CC1(CNC1=O)C=O,0.215 CC1CC(O)C1=NO,0.2467 OC12CC=CC1N1CC21,0.2337 C1C2C3C4C5NC5C13N24,0.2953 c1c(n(cn1)CC=O)O,0.17 CCC1N=C2OC3C1C23,0.1619 COCC1(C)CC(=N)O1,0.2887 CCc1cc(c[nH]1)C#N,0.2219 CC(C#N)N1C=NC=N1,0.2702 C(=O)C#Cc1nnon1,0.1767 CC1(CC2CN12)C=O,0.219 OC(CC(F)(F)F)C#C,0.3007 NC1C2[NH2+]C(C12)C([O-])=O,0.2672 C1C2C3C1C2C31COC1,0.3222 OC1C2NC1C=C2,0.2298 CC1C=CC2C3CC12C3,0.2543 CCN1CC1C1CCC1,0.3022 OC1CC2C=CCC12,0.2581 CC1C2CC(O)C12O,0.3191 CC1=CCCC1(O)C=O,0.2034 COCC(CO)C#N,0.3026 CC1CC11NC(=O)C1C,0.2725 CC(C)C1OCC1O,0.3033 COC12CC1C(C2)C#N,0.2945 OCC12COC1C(O)C2,0.2994 c1c(nc(o1)N)N(=O)=O,0.1644 c1c(nncn1)CCO,0.1641 c1ncon1,0.2719 CCC(=NO)CC=O,0.2078 CC(C)C1(CN1)C(N)=O,0.2656 N=C1CC2C3OC3C2O1,0.2827 CCC#CCC(=O)CC,0.2284 O=C1CN2CC1C(=O)C2,0.1791 COc1cc(on1)C#C,0.2048 CN1CC1CCC1CO1,0.3073 Cn1c(cc(n1)C=O)O,0.1919 O=C([N-]CC1C[NH2+]1)C#N,0.2276 CC12C3OC1C(C)(C)C23,0.3073 CCC12CC(O1)C=CC2,0.2406 CC1C(C#C)C1(N)C#N,0.2489 C1CC(C1)C1CCCO1,0.3221 CC1COCOC(=O)C1,0.271 OC1CCOC2CC12O,0.3053 OCC1=NCC2CN12,0.2514 c1cnc-2oncnc12,0.1336 CC12CN1C1(C)C(O)C21,0.2814 CC12CCC1(C)C=CC2,0.2623 O=C1CC2CNC2=C1,0.2058 COCC1(C)C2CN1C2,0.2993 c1c(=O)c(non1)C=O,0.1487 OC1C(O)C11COCO1,0.2676 CC(C)C(C)(O)C(N)=O,0.2649 CC1(O)CC2NC2C1O,0.3051 CC12CC(C=CC1)C2O,0.2477 CC1OCCOC1(C)C,0.3136 CC1=C2CCC2OC1=N,0.2077 NC1C(O)CC1(O)C#N,0.2867 COC12CC(CO)(C1)C2,0.3187 N#CC1=CC2CC2NC1,0.1879 CC12CC3C1OC23CO,0.3067 C#CC(=O)CC#N,0.2104 OCC1OCC(O)CO1,0.3241 CCc1cn(nn1)CC,0.2486 Cc1cc(c(cn1)O)F,0.2125 CC(C)(CC=O)OC=O,0.2243 O=C1CN=COC1C#C,0.1968 CN1CC2CC2C1C#N,0.2569 O=C1OC23CCC12CC3,0.2653 CN=C1NC(=O)CC1O,0.2417 CC(=O)C(C)(C#C)C#N,0.2212 NC1=CC(=O)N=NO1,0.2053 CC1(CNC1C=O)C#N,0.2076 C1COC2(CC2)CC1=O,0.2224 C1OC1C1CCC=CC1,0.2678 CCN=C(C(=O)N)N,0.2144 COC(C)C1COC1,0.3079 NC(=O)C12CC(C1)C2=O,0.2385 C1C2OC3C2COCC13,0.3248 O=C1C=CC2CN12,0.1979 CN(C)Cc1c[nH]nn1,0.2185 C1C2OC2C11CCC=C1,0.2516 CC(CC#C)(C#C)C#C,0.2831 CCc1ccc(o1)CO,0.2261 C1OC2COC1C1NC21,0.3091 CC#CCNCC=O,0.215 c1c[nH]c(=O)c(c1F)N,0.1718 CC#CC(CO)C(N)=O,0.2716 CN=C1OCC1C(N)=O,0.2593 CC(=O)C(=N)OCC#N,0.1939 CC1CC2N(C=O)C12C,0.242 CC1NC1C1=NNC=N1,0.2469 CC1(CN1)C1COCO1,0.3202 CC12CC1(O)CNC2=O,0.2661 OCCN1CC1C#C,0.2665 CC1=CC2NC3C2OC13,0.2303 CCc1c(nn(n1)C)O,0.2271 CC1CCC2CCC12O,0.3171 CC12C3OC4C1C4(C)C23,0.3155 OCC1(O)CCC2OC12,0.312 CC1(C)C2NC(=O)C12N,0.2303 CN1CCn2c1ccc2,0.2229 NC1=CC(=N)NC(=O)N1,0.2063 C1C2OC22CC1CCC2,0.3242 CN1C2C(=O)CC12C=O,0.1888 O=CC1(NC1C#N)C#N,0.2197 Cc1cc(oc1)N=CN,0.1751 OCC1=CCC2CC12,0.2487 CC(C)C(C#N)C1CN1,0.2808 C1C2N3C1C21C=CCC31,0.2248 CCC1C2CC1N=CO2,0.2605 C1CC23OC(C=C2)C13,0.2207 O=C1NC2CC2C1C#N,0.2616 O=CC1C2CCC2C1=O,0.2082 O=C1NC23CCC2OC13,0.2392 CC(C)CC(=O)OC=N,0.2527 O=C1OC2OC1C=C2,0.223 CC12CCC1CC2C#N,0.3096 C1CC11OC2CCC12,0.2982 OCC1OC2C1NC2=O,0.2485 CC1CNC(=N)C(=N)O1,0.1998 N#CCC1OC2CNC12,0.2851 CC(C)OCCO,0.3337 CC1(C)C2CC1(O2)C#N,0.256 CCC1(C)C2C3OC3C12,0.2822 CC1C(O)C1(O)C=O,0.2212 N#CC1CN2CC(C2)N1,0.2515 OC1COCOCC1O,0.309 CC1C2C=CC3C2C13C,0.2317 Cc1coc(n1)CNC,0.2346 CC1(CO1)C1OC2CC12,0.3133 CC1(O)COC2CC1C2,0.2985 C#CC1COC11CCC1,0.2818 OCC12C3NC1C(=O)C23,0.2205 CNC1=CC(=N)C=NN1,0.1678 c1ncnc(n1)C(=N)N,0.1732 CCN(CC(=O)N)C=O,0.2445 c1c(c(n[nH]1)N)NC=O,0.2171 CC12C3C4C5C(C15)C2C34,0.3232 OC12CC1CC=CC=C2,0.1852 c1c(non1)C2(CC2)O,0.2268 NC1=CC(=O)C2OCC12,0.1923 C1CC1C(=O)CC#N,0.2365 Cc1cc2ccoc2o1,0.2199 CC(O)CC1COC1=O,0.2809 CC(=O)C12OC3C1CC23,0.2156 CCC1(CN1C)C=O,0.215 ON=C1CC(C1)C=O,0.2228 CC12OC3C(OC1=N)C23,0.2441 CCC1(C)OC(=O)C1O,0.2656 O=CCC1(CO1)C1CO1,0.2216 NC1=NC2CC2(N1)C#N,0.2433 COC1CC2CCC12,0.3198 CC1(CC1)C#CCO,0.2704 OC1C2N3CC1C23C#N,0.2633 O=C1CCC11CC1C#C,0.2106 CCC1CC1(O)CC=O,0.2187 c1c(c[nH]c1NC=O)O,0.1849 CC1(CCC(=O)NC1)C,0.2664 c1coc(n1)CC2CC2,0.2436 CCc1cncc(=O)[nH]1,0.1693 CCC1(O)C(C)CC1O,0.2985 COC(=O)c1ccn[nH]1,0.2177 OCCC1CC(O)CO1,0.3133 CCCCCCNC=O,0.2834 CC1(O)COC(=O)C1=O,0.1665 O=C1CC23CC12C=CC3,0.2192 CCC12NC1CC21CC1,0.2969 OC12C3CN3C3C1CC23,0.2996 C1C(CC1=O)C#CC=O,0.1929 CCC1COC2CC2C1,0.3009 CC(C#C)C1=NOC=N1,0.2425 CNc1cnc(cn1)F,0.1678 FC(F)(F)C1CC2NC12,0.3098 C1CC1C1CC2CC1C2,0.3554 OC12CC1(C#N)C1NC21,0.2676 CC1C2NC1(C#N)C2O,0.267 C1CC12CC(C2)(C#N)N,0.2928 N=C1C=C(NC=N1)C#N,0.1606 c1c(nn[nH]1)OC2CC2,0.2224 CC12CC3OC3(C)C1O2,0.3324 CC(=O)C1C2NC(=O)C12,0.2085 CC1OCC1OCC#C,0.2745 N#CC12CN1CC21CO1,0.2542 CC1(C2CO2)C2CC1C2,0.351 Cc1coc(n1)N(C)C,0.2274 O=CCC1OC1C#C,0.223 CC(C)C1C2OC(=O)C12,0.276 CC1(O)C2C3CC3C12C,0.2753 CC1COC(C)C1C,0.3138 CC12C3C4C(C4C1=O)N23,0.2095 CC(O)CCN(C)C=O,0.2721 CC12CC1(OC=N2)C#C,0.2484 Cn1ccc(c1)CC=O,0.1991 C(CC#N)CNCC#N,0.2737 O=CNC12CCC1CC2,0.2715 CC(CO)C12CCC1N2,0.3157 O=C1CC=C2CCC2O1,0.2442 C(N1CC1)C12CC(C1)O2,0.3246 CN=c1[nH]cc(o1)C#N,0.1734 COCCNCC#N,0.271 CCCN(C)C(=N)C#N,0.1972 CC1CC=CCCCO1,0.2524 CC(O)C12CC(C1)C2,0.3293 CC12CC1C1OC21,0.293 O=CC1C=CC2CC12,0.2162 CCC(N)(C[NH3+])C([O-])=O,0.2722 C#CCN1CC(C1)C=O,0.2108 CC1=CC2NC2C11CC1,0.2354 CN1CC1(CO)C#C,0.2704 Cc1cc(on1)NC=O,0.2114 C(=N)(C(F)(F)F)N,0.2653 CCC(=O)COC(=O)N,0.2353 CCN1CC1C#CC#N,0.2034 CC1C2CC3OC3C12C,0.328 C1NC1C#CC1CN1,0.2546 COc1nc(no1)N,0.2483 OCC1OC(C=C1)C#N,0.2435 CC1C=CC2OC2C=C1,0.2273 O=CC1(OC1C#C)C=O,0.1881 CN1CC11C=CC2OC12,0.2143 CCN(C)C(CN)C#N,0.2655 OC12CCC1CN1CC21,0.3067 CC1=CCC2C3OC2C13,0.2469 CC12OCC1NC2=N,0.2546 CCC1(C)CCOC1=N,0.2872 CC(CO)C1C2CC1O2,0.305 CC1(CO)CC(=O)N1,0.2762 NC1C2CC2OC1=O,0.246 CC(=O)C(C)(C=O)C=O,0.1886 c1c2c([nH]n1)CC(=O)O2,0.2154 COCCC1CC1C#C,0.2912 OC1(CNC1C=O)C#N,0.2043 CC(C)C1COCOC1,0.3324 Cc1cc([nH]c1)C2CC2,0.2328 O=C1CNCC11CN1,0.1915 CC1(C)CC2NC1C2=O,0.232 C#CC1OCC(O1)C#N,0.2865 CC12C(O)C1CC21CN1,0.2928 OC1(CN2CC12)C1CO1,0.2895 OCC1CCC11CCO1,0.31 CCC1C(C)C1NC=O,0.2711 CC1COC2C3CC3C12,0.3133 c1c(c2c([nH]1)[nH]nn2)O,0.1982 CC1C2C3CCC1C23O,0.3076 C1C2C=CC3CC=CC123,0.2258 CC(O)C1C2C(C)CN12,0.2957 CC12CCC3C1C2C3=O,0.2344 CC1CC2CC1(CO)C2,0.3394 COCCc1cc[nH]n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c1n[nH]c2n1nnn2,0.2218 COC1CC1(C)CCO,0.313 O=CN1C2COC(=O)C12,0.2402 CC1C2NC2C2NC12C,0.2863 C(=O)c1c(c(on1)N)N,0.1409 c1c2c([nH]n1)nco2,0.2145 CC12CN1CC(=C2)C#C,0.191 CC1CCOC1(C)C#N,0.2956 CCC12CCC1OC2C,0.3045 CC(C)OC(=O)CN,0.262 OC12CC1C=CC21CO1,0.225 CC12CC(=O)C1CC=C2,0.2197 OC1=CN=C(F)OC1=N,0.1799 CN1CC23COC2C1C3,0.258 CNC(CO)(C#N)C#N,0.2568 CCOC1(COC1)CO,0.3125 c1c(n[nH]c(=O)n1)CO,0.1693 COC1(CO)CC1C#N,0.2869 C(=O)n1nc(nn1)O,0.1951 CC1(CCC1O)C=O,0.2231 C1OC1C12NC1C1OC21,0.2682 NC1=CC(=N)OC(O)=N1,0.1856 CCC(O)C1(CC1)C#N,0.3035 CCOCC(O)CCO,0.3264 CCC12OCC1NC2=O,0.249 C#CCCOC(=O)CO,0.2838 CC(C)C(O)C1OC1C,0.3216 CCc1c(con1)NC,0.2107 COC(C)C1(C)CN1C,0.2973 CC1(C)OC2C1NC2=N,0.2533 CC#CC1OC(C)C1=O,0.2069 COCCNC=O,0.283 C1NC11C=C2CC3C2C13,0.1739 OC1CC1C1(CO1)C#C,0.2522 CC#CC1=CC2CC1C2,0.189 CC#CC12CNC1CN2,0.2541 COC1CCOC2CC12,0.321 CNC1C(NC1=N)C#N,0.2436 CC12CC3(C)CC1C2C3,0.3332 OCC12CCC1COC2,0.3151 Cc1cc(ccn1)OC,0.2379 c1nc(c(=O)on1)F,0.1796 CC(C)C(CO)C1CO1,0.3237 OC1CC2C3CC(=C1)C23,0.216 CC1=C(N=NO1)C1CN1,0.1995 Cn1cnn2c1nnn2,0.2354 CC1CC2(O1)C1CC2O1,0.3128 Cc1cc2n(c1)CC=C2,0.1729 CCC(=O)CCNC=O,0.2322 C1C2CN1C1=CNC=C21,0.2576 CC1OC1CC1(C)CC1,0.3311 O=CCC12CC1CCC2,0.2231 CCC1CCC1C(C)=O,0.2272 OC12C3CCC1OC23,0.2916 CC12CN1C(CO)C2O,0.2944 CC1CC1NC(N)=O,0.2952 O=C(C#C)C1(CN1)C#N,0.1963 CCCc1cn[nH]c1C,0.2504 CNc1cnc(nn1)O,0.1521 OCC1OCCC1=O,0.215 CC12CC(O)C3OC1C23,0.3005 Cc1c([nH]nc1NC)O,0.235 CC1OC(=N)OC1C,0.308 C#CC1(CO1)C1CC1,0.2851 O=C1CC23COCC12N3,0.2181 C1OC1C12CCC1CC2,0.3417 O=C1C2CCC3CN2C13,0.2056 OCC(=N[O-])C1CC[NH2+]1,0.1188 c1[nH]c(c(n1)N)CCO,0.2187 NC(C1CC1)C(F)(F)F,0.3386 c1cnc([nH]1)OCC=O,0.1785 COC1OCC=CC1=O,0.1807 Cn1ccc(c1O)N,0.2337 c1c2c(c[nH]1)C=CC2,0.2005 CC12CC3C1C2(C)C3=O,0.2448 CC1(C#C)C2OC2C1=O,0.2029 CNc1c(n[nH]c1O)N,0.2542 CC1CC2C(=O)CC12O,0.2194 COCc1conc1O,0.2536 OC1(CCC=C1)C1CO1,0.2551 N=C1OCC2OC2C=C1,0.2013 CC(=NO)C#CCC#N,0.2041 c1cnc(c(n1)CO)F,0.1983 NC(=O)N1CC1CCO,0.2632 CCC1(COC1)NC=O,0.2588 CC1=CC(=O)C2NC12,0.1804 CC1CC11CC=CC1C,0.263 C(=O)c1nc(on1)C=O,0.1708 CCC#CC1CCCC1,0.2967 CCC1=CC2CC1(C)C2,0.2336 CN(C=O)C(=N)N1CC1,0.2358 CCC12C3CC1C(=O)N23,0.2498 CC1CNC=CC1=NO,0.1792 OC1C2COC2CC1=O,0.2195 Cc1c(n(cn1)C=O)O,0.1741 O=CC1C2C3CC1CN23,0.2131 N=C1NC(=O)C2CCC12,0.2472 CC(CC1CN1C)C#C,0.278 COC1(CCOC1)C=O,0.2093 CC1(C)C2NC1C21CO1,0.3131 Cc1ccc(cc1)C=O,0.1927 NC12CC1(NC2=N)C#N,0.2265 CC1OCC(=O)C2CC12,0.2162 OCC1NCCOC1=N,0.2475 c1c(nc([nH]1)N)O,0.2281 CC1CC2(CN2)C1(C)O,0.3089 CC1(C)CC=CC1C#C,0.2601 CC12CN(C1)C2C1CO1,0.3035 O=C1C2C3C1CN23,0.228 c1c(c(ncn1)F)C#N,0.207 CC(=O)C1(CC(=O)C1)O,0.2195 COCCC(C)C1CC1,0.3382 N=C1OC(=O)OC=C1,0.2155 N=C1OCC2=C1C=NN2,0.2364 CCNC(=O)C(C)C#C,0.2722 c1cc(cnc1)N2CC2,0.2 CC1(O)CC2OC1C=C2,0.2529 CC#CC1(CC1)C#C,0.2621 C1C2OC=NC3CC2C13,0.2563 CC1CC1C1CCC=C1,0.2631 OC1(CC11CCN1)C#N,0.2393 c1c[nH]c(cc1=O)O,0.2052 CC1NC1CC#CC=O,0.2008 CCCOCC(C)C#C,0.313 CC1(O)C2C3CC3(O)C12,0.311 OC1C2C3(CC3)CC12O,0.3042 OCC1C(O)COC1=O,0.2631 CCC12COC1C2O,0.2904 c1cc(c(c(c1)O)O)N,0.2193 CC1=C(OC=N)C=NN1,0.2374 Cc1cnc(o1)C#N,0.2001 C1C2(CO1)C(=O)C=CN2,0.1849 Cn1ncc(n1)OC,0.2287 CC(O)COCC#N,0.2752 CC12OC1C1CCC2C1,0.3412 OC(C=O)C1=CC=NO1,0.215 C1CC2C1C21CCCC1,0.3332 O=C1CC=C2CCCC12,0.2247 NC=[NH+]C1=NC(O)=N[N-]1,0.1131 CC(C)n1ccc(n1)N,0.2302 CC(C)(CCC#C)OC,0.3109 CC12CCC1(CC=O)N2,0.2005 c1cc([nH]c1)OCC#N,0.2025 CC(O)(C#C)C1CC1,0.2989 COC(CO)CC(C)=O,0.2283 CC1OC1(C)C(=O)C=O,0.1484 CC1N=COC(=O)C1C,0.2482 Cn1nc(c(n1)N)N,0.2075 N=COC1CC(=O)CO1,0.2224 CCCCOC(=O)C#N,0.2469 CC1CC(C=O)C1=NO,0.218 CC1=CC2OC2C1C=O,0.2097 C1OC2CC3CC12CO3,0.3195 C1CC=C(C1)C#N,0.2206 CC(=O)C(=O)C#N,0.1501 Cc1coc(c1C=O)C,0.1842 CCC(C)C1OC1C=O,0.2164 CC1CCC=CC1(C)O,0.2582 CN=c1cnoc(n1)F,0.195 CC1CC=C(C)C11CC1,0.2465 C1OC11CCC11CO1,0.3056 CN1CC(CCO)C1=O,0.2781 CC1OC1C(C)(C)O,0.3142 CC1OC(CC#N)C1C,0.2944 CC12CNC1(C#N)C2N,0.2287 OC1CC2C3CC2(O)C13,0.3142 ON=C1CCC(O)C1O,0.244 CC1OC(=O)C1(C)O,0.2628 OC1C2C3CN2C13,0.2943 CCC(C#C)C(C)CO,0.3084 NC1=NC(O)=NC(=N)O1,0.2089 CN=C1C=CNC(F)=C1,0.1796 C1CC2(O1)C1CC2OC1,0.3041 CC12CC3OC1C3C2O,0.2996 CC(=O)OC(=N)CCO,0.2713 C1C=CC2N=COC12,0.2557 CC12C3CC1CC2C3,0.3369 Cc1c(c[nH]c1N)N,0.231 CC1(CC1(C)C=O)C=O,0.2004 C1CC1C1COCCO1,0.3235 C1CC2CC3NC3C2O1,0.2937 OCC(=O)CC1CCO1,0.2194 Cc1coc(=O)[nH]1,0.2418 OCC1(O)C2OC(=O)C12,0.2579 CC1(NC1CO)C#N,0.2787 C1COc2c1oc(=O)[nH]2,0.2294 Cc1c(cnnc1N)O,0.1953 CC1NC1(C)C(=O)C#C,0.1878 CCN=c1[nH]cc(o1)O,0.2318 CC(C=O)C1(CO1)C#N,0.2233 COC(C)C(C)CCO,0.3281 O=C1NC(C#C)C2CC12,0.2674 CCCCC1CC1C=O,0.2286 CC12OCC3CC1(O)C23,0.2891 Cn1cccc1CC#N,0.2346 CC(C)C(C#N)N(C)C,0.2625 N=COC(CC=O)C#C,0.2219 N=C1CC(=O)C(N1)C#N,0.2018 N1C=CC=CC=CC=C1,0.1678 CC1N=COCC2NC12,0.2636 CC(=O)OCCCCO,0.2849 C1C=CCOCC1=O,0.2177 CC1COC1=NCCO,0.2633 CC(C)(O)C1CCC1=O,0.2179 O=CN1CC2C3CC2C13,0.2682 CC(O)C1=NC=CN1C,0.2386 CC1NCC(=O)N2CC12,0.2314 C1CN1C1COC=NC1,0.2704 COCC12CCC1(C)N2,0.2873 Cc1coc(n1)CN,0.2424 OC12CC1CC(=O)C2,0.2225 C1C2C3C4C1C=CC2N34,0.2318 COC1C2CCC=CC12,0.241 C1CN(C(=O)CN1)C=O,0.1955 NC(=O)C(C=O)N1CC1,0.2152 CCC1(CC1C)C#N,0.3159 CC1=CCCN1C(=O)C,0.2111 CC(C)(C)c1cnoc1,0.246 c12c(nc([nH]1)O)nn[nH]2,0.2156 OCC1CC=CC2CC12,0.2472 OC1CC11OC(=N)C=C1,0.1922 CCOC(=N)CC,0.2956 CC1OC2CCC2=C1,0.2362 C1OC11COCC2NC12,0.3064 CC#CCC#N,0.2899 OC1COC(=O)NC1=O,0.2522 C(C(=O)C(=O)C(=N)N)O,0.1742 C1CC23C1CC1C2CN31,0.303 C1CC1c2nc(on2)N,0.2408 CCc1cnn(n1)CC,0.2483 C#CCOC1CC1C#N,0.2826 FC1=COC(=N)N=C1F,0.1685 CNC(CO)C(=N)OC,0.2343 CCC1CCOC2CC12,0.319 CC(=O)c1cn(cn1)C,0.2059 Cc1cnc(nc1)F,0.2132 O=C1OCC2OC3C2C13,0.2584 C#CC1(CNC1)C#N,0.2556 CC1=C(O)C(=N)NC=N1,0.1793 O=CCC1C2CCCC12,0.2255 CC(OC(N)=O)C1CN1,0.2936 OC1CCOCC=CC1,0.2485 COCC1OC(=N)C1N,0.2691 CN1CC1CNC(N)=O,0.2792 CC1C2OC2CCC1=O,0.2279 N#CC12C3C4C1CC2N34,0.2559 CC1OCC=CC1C#C,0.2551 C1C2C3C4CC=C3C1N24,0.1681 CC1(O)CC(O)C1C#C,0.2961 OC1=NN2C3CC3C2=N1,0.2142 Cc1c([nH]nc1OC)O,0.2553 CN=c1oc(no1)C=O,0.1553 C#CC1CCCOC=N1,0.2603 COC1(C)C(C)CC1=O,0.1986 COC(CO)C(=O)OC,0.2645 COC1C2CC1C2C#C,0.2919 Cc1c(nc(o1)O)NC,0.217 O=C1NCC2CN=CN12,0.2459 CC1NC11CNC1C=O,0.2059 CC12COC1(C)CO2,0.3071 CC12CC1C(C)(O)C2O,0.3097 CCC1N2CC2(C)C1=O,0.2175 CC1(C)OCC2OCC12,0.3157 OC(CNC=O)C=O,0.2065 CCC12NC1CC2(C)O,0.2956 C#CC1=NCCCCO1,0.2156 NC1(CC1)C1(CO1)C#N,0.2515 CC1(C#N)C2NC(=O)C12,0.2375 ON=C1C2COCC1N2,0.25 COc1cnc(o1)C=O,0.1667 C1OC2C=CCC=CC12,0.2303 C#CC#CCOCC=O,0.2189 CC1CCC(C)(O1)C=O,0.212 CC1CCC2(O)CC12O,0.2929 CC12CC3(C)C1CC23O,0.3177 CC1OC2C(C)(C)C12O,0.2817 CCC1(COC1)C(C)C,0.313 OCC1COC1C1CN1,0.3098 CCC1COCO1,0.34 CNC(CO)(C=O)C#N,0.22 O=CC1CCCC11CN1,0.2199 CN1CC1CC(C)(C)O,0.2815 COC1OC(C)C2NC12,0.3143 OC12CCC1OC21CC1,0.2983 CCC(CC1CO1)C#N,0.3093 CC12CC(O)C1C(=O)C2,0.2177 OCC1COC2CCC12,0.311 CC(C)C1(CC1)C1OC1,0.3413 CC(=O)C12CC(N1)C=C2,0.2178 OC1C2C3OC3(C#N)C12,0.2708 CN=C1N2CC2C11CN1,0.241 O=CC1N=COC11CC1,0.2046 OC12C=CCC1OC2=N,0.2504 CC(=O)C1CC1CC#C,0.2282 CC12CCC1=CC(=O)N2,0.2119 CC1(O)CC1C1CCC1,0.3201 C1C2(CO1)COC2=O,0.2595 ON=C1CC2C(O)C12,0.2438 CC12CC1C=CC(=O)N2,0.2033 C1CC2OCCCC2=C1,0.2484 O=C1CC2CC2N1,0.266 C1CC(=NO)C(=C1)C#N,0.176 O=C1NC2CCCCC12,0.2741 Cc1c2c(c[nH]1)onn2,0.1687 OCC1CCC(CO)O1,0.3201 CC1NC(C#C)C1=NO,0.2353 CCC1(O)CC1C=O,0.226 CC1(CO1)C1=NON=N1,0.2108 CC1(C)C2N1C1CC21O,0.2768 CCC(O)(CC#N)C#C,0.2928 OC1CCC2=C1C=NO2,0.2387 OCC1CC2C3CC1C23,0.3284 O=CN1CC2CC(=O)C12,0.1954 N=C1C=CNC=NC1=N,0.1829 C1C(CC1=O)C(=O)N,0.2273 CCNC1C2NC2C1=O,0.1984 COCC1OC(=N)C1C,0.2874 O=CC12COC1CO2,0.2061 C1NC11CN2CC3C2C13,0.2994 O=CC1(CC2NC12)C=O,0.1945 CN1CC(C1)C#CC=O,0.1688 CCC1NC1(CO)C=O,0.2218 C1NC2C3OC12C1NC31,0.2894 c1c(onn1)CN2CC2,0.2251 CNC(=O)NCC1CC1,0.3035 CN=C1OC(=O)CC1N,0.2451 CC1C2CC3N2CC13O,0.2939 CC1OC2CC12O,0.3012 NC1=NC2CC2CC1=O,0.1592 OCC1NC11CC(=O)C1,0.2165 CC1COC2CC(=O)C12,0.2099 c1c(nno1)C2COC2,0.2149 CCC(=O)c1cnon1,0.1947 NC1(C([NH3+])C1O)C([O-])=O,0.2682 OC1CC1C1=CC=CN1,0.2363 CC(=NO)C(C)(C)C#N,0.2519 C1OC2OC3C4NC13C24,0.3 C#CC1=CCCC=CC1,0.2106 OC1CC=CC=CC1,0.1909 OCC1(OC1C#C)C=O,0.2054 CC1NC(=O)C1N(C)C,0.2496 c1c(c(no1)C#N)C=O,0.1985 CC(=O)NC1CN2CC12,0.2687 CC12CCOC(=O)C1N2,0.2534 CCCC(=O)CCC=O,0.2279 OCCC1CC2OC2C1,0.3364 CC(=N)Nc1ncco1,0.2188 N#CC#CCC1CO1,0.2403 c1c(=O)ncoc1F,0.2113 CC12COC1(C)C(=N)O2,0.2663 CCC(=O)CC(=O)C,0.2095 CC1(O)C2OCCOC12,0.2992 C1NC11C2COC1C=C2,0.2344 CC1(CO)CCC2CC12,0.3221 O=COC1CC2NC2C1,0.2636 CCC(C)OC,0.3341 CC(O)C1=NC(C)=CN1,0.2468 CC12NC1C(N)=CC2=O,0.1922 CC12CC(=CC1N2)C#N,0.1943 CC12C(O)C1OC2=N,0.2634 O=C1CC2OC3(CC3)C12,0.2098 c1c(nc([nH]1)CC#N)O,0.2227 OC1CC2C3N2C1C3=O,0.2249 CC1CC(O1)C1CCC1,0.3243 CCOC12CCC1CC2,0.319 CN1CC1(C)C1CCO1,0.3032 CN1CC1C1=CNC=C1,0.2401 OCC1C(OC1=O)C#N,0.2727 CC1CC(CO)NC1=O,0.2735 OC1CCC11CC=CC1,0.2647 CC(C)OCC1CC1,0.3328 CCC1C2CN2C1C#N,0.2627 C1C2C1C1C2C1N1CC1,0.2866 C1CC11OC2C3CN3C12,0.279 OC12CC3CCC1C2O3,0.2893 CC1CC2(CCC12)C#N,0.3038 CCC1(C)N=CNC1=O,0.2294 CC1COC1=NCC#N,0.2768 C(C#CCO)C#CC=O,0.1974 CC1C2OC(C)(C#N)C12,0.2637 O=C1NCCCC11CN1,0.2661 OC12CC3C4CN3C1C24,0.293 C1NC11CCC=CC=C1,0.1824 C1COC(=O)C=CC=C1,0.1796 CC(=O)Oc1ncno1,0.2612 CCC1CC2C1OC2=N,0.2844 CCCC1CCNC1=O,0.2693 CN1C(=N)CCCC1=O,0.242 CN=C1CC2CCC2O1,0.2736 CC1C2C3CN2C1C3=O,0.2062 CCN1CCC1C#N,0.2538 CCc1c(onn1)N,0.2085 CC1=CC(=NO1)C1CN1,0.2266 OC1CCOC2CC2C1,0.3149 C1C2NC1C21CN=CO1,0.2556 CC(O)CC1=NON=N1,0.217 CC(O)C1=NC(C)CO1,0.2695 CC(CO)C1(CO)CN1,0.3032 CNC(=O)C(C)C(C)C,0.2781 NC(=O)OC1CCC1=O,0.2182 O=C1CC2CCC=CC12,0.2093 OC1CC2=CCC(O)C12,0.2488 OCCCC12CCC1O2,0.3223 CN(C)C(=O)OCC#C,0.2684 c1c(nnn1C=O)C#N,0.2007 CC1(CC(N)=O)CCO1,0.2682 CC12C3C(CN13)OC2=O,0.2537 CCCC1C(C)C1C#C,0.2875 Cc1c(c(no1)N)NC,0.2349 COC1CC2CC(C2)O1,0.3386 OCC12OCC1CC2=O,0.1974 CC(=O)CC=O,0.2124 ON=C1CC2OC1C2O,0.2461 CCC12CC1C1(C)NC21,0.2814 OCCC12C3CN1CC23,0.3024 CC1CN=C(CC#C)O1,0.2659 OC1CC2(CC2)CC1O,0.3151 CC12CC1C(C2)NC=O,0.2766 CCC1C(=O)CC1(C)C,0.2203 OC12CC1CNC2C#N,0.2699 CC(O)C1C2C3CC1N23,0.3013 OC1(CC1C#C)C1CN1,0.2649 CCC#CC1CO1,0.2735 CNC(=O)CC#C,0.2772 O=C1CC2OCC2=C1,0.1907 C1CC1C1CC2OC2C1,0.3446 OCC1C2CC3C2C13O,0.2835 CC1OC2C(OC=O)C12,0.2631 N#CC1(CCC1)C1CN1,0.2854 Cc1c(c(c[nH]1)N)C#C,0.1999 CC1=NCC(CO1)C#C,0.2664 CC1C2(C)CCCC12C,0.3235 COC1(C)C(C)C1C#N,0.2881 CN=c1cncccn1,0.1602 CC(=O)C12CC(C1)C2O,0.2201 C#CC12CC3OCC1C23,0.2733 C1CC1C1C2CC1C=C2,0.2403 OC(C#N)C1COC=N1,0.264 CC1(O)C2OC1C2C#N,0.2817 C#CCc1c[nH]nn1,0.2518 CCC1(C)CC(C)C1O,0.3095 N1C2C1C1OC1C1OC21,0.3067 OCC1COC1C#C,0.271 CCC1COC(=N)C1=O,0.186 CC1C2C3C1C(C#C)N23,0.2654 COC1CC=CC1,0.2682 N1=CC2=C(N3CC2C3)O1,0.2218 c1cc([nH]c1N2CC2)O,0.2286 CC1CC11CCC(C)=C1,0.2423 NC=[NH+]CC(C=O)=N[O-],0.1599 OC1C(CC=O)C1C#C,0.2227 O=C1CC2CC1C2C#C,0.2238 CN1N=NOC(=O)C1=N,0.2012 OC1CCC=CCC1=O,0.218 CC1CC2C1C2(C)C#C,0.2915 CC1(C)C2C3CN2C13C,0.3074 CNC(=O)CCN1CC1,0.2646 CC1CCC11CC1CO,0.331 CC1N2CC1(O)C2C=O,0.2156 CCC(C)OC(=N)CO,0.2926 CC1COC(=N)C(=N)O1,0.2178 N#CC1CNC1C1CO1,0.2671 CC1C=C(C)CN1C=O,0.2453 CC1C2C3NC3C(C)N12,0.2788 COCC1CC(C)C1O,0.3108 CCN1CCOC(=N)C1,0.2498 CC12C3C4C3C1(O)C24,0.2889 CC(N)C(=O)OCC#N,0.2473 CNC(=O)C1(CC1)O,0.272 CNC(=O)c1ccoc1,0.2206 CC1(CC2CN2C1)C=O,0.2131 C1Cn2c1nc(c2O)O,0.2049 CCC1COC2C(O)C12,0.3099 CCNC(C)C(=O)C#N,0.1614 C#CC12CC1C1CCC21,0.2571 OCC1CCC11CC1O,0.3214 O=CNC1C2CC=CC12,0.2322 O=C1CN2C1CNC2=O,0.2136 C1C2C3C1OCCN23,0.3056 CC1CCOC11CC1,0.3063 NC1(CC2CC1C2)C#N,0.2998 CC1C2C3CN2C1C3O,0.2974 CCNC1(CCC1)C#N,0.2664 CC12COC3C(CC13)C2,0.3161 CC(CC=O)C1CCO1,0.2283 N=C1OCCCOCO1,0.2902 CCCCN1CC(=O)C1,0.2064 CC1NC11COC1=N,0.2686 C1CC(=NC2CC2)OC1,0.254 CC1N2C(=O)C=CC12C,0.1949 CCC1CC2(CO2)C1,0.3341 CC1CC(C#C)C1=NO,0.2464 CC1(CC#C)CC=CC1,0.2636 OC(C#C)C(C=O)C#C,0.2174 CC1C2C=CC3N2C13C,0.211 COCC(C=O)C(C)O,0.2178 CNC(=O)C1(CN1)C#C,0.2612 C#CC1CC2NC12C#C,0.2509 CC12CC(O1)C(=N)OC2,0.2692 CCC(CC)CC(=O)C,0.2341 C1CC2C1C1CC=CC21,0.2575 N=C1OCCOCCO1,0.2861 CC1(CO)CC2NC2C1,0.3052 CC1CN1C(N)=O,0.2879 C(CC(=O)N)COC=O,0.2674 [NH3+]C(CO)C(O)C([O-])=O,0.2649 CC1(CC(O)C1)C1CO1,0.3305 CCc1ccc(o1)CC,0.2276 CC1OC23CC(C2)C13C,0.2969 CC#CC1C2C3C1CN23,0.2812 c1cncnc1C#N,0.1918 CCN=c1[nH]c(no1)C,0.2235 CC(C)(CCCC#C)O,0.3108 CC1C2CC1C(CO)C2,0.34 C#Cc1conc1C#N,0.2014 CC1=CC(=O)NC1=O,0.179 N#CC1C2OCC3C2N13,0.2598 OC1=CC(=N)C(O)=NN1,0.1791 CC1OC11C(O)CC1O,0.2952 O=CC1CC2(CN2)C=C1,0.2077 CCOC1(CC1)C,0.3337 CC1CCC2=COC=C12,0.2346 CC12CNC1=CC(=O)C2,0.2044 CCOC12CC1CC2,0.3382 CCC(C)C1CC2OC12,0.3266 CCC12CN(C1)CCO2,0.2853 OC1C=C2CC3C1C23,0.1806 c1c2c(on1)CCC2=O,0.2134 CC1CC(N=CO1)C#C,0.2675 Cc1c([nH]cc1N)C,0.2267 CC1CN1C(=O)CC#N,0.2478 CC1(C2(CC2)CCO1)C,0.3186 CC1CC1CNC=O,0.2803 C1C2C3C4C5C4C(C23)C15,0.3202 CC(O)C1=NC=CN=N1,0.1648 C1CN(C1=O)C(=O)N,0.2498 CC1=CC(CC1)C1CC1,0.2584 CCC(O)CCN1CC1,0.3021 OC1C=CC2=NOC=C12,0.2101 CC1=C(N)ON=NC1=O,0.1987 CN1CC(=O)C1C1CC1,0.2073 N#CC1OC11C2CC1O2,0.2499 CC1C2CC(=O)C(C)C12,0.2234 OC1CCC1CC1CC1,0.3255 CC1(CNCC(=O)O1)C,0.2422 C#CCCCCCO,0.3166 C#CC1CN2C=CN=C12,0.2495 CC1OCC(CO1)C#N,0.3029 CCC1OC2C3CC1C23,0.3127 c1cncnc1N(=O)=O,0.1776 c1nc(on1)NCCO,0.2399 CNCC#N,0.2698 C1CN2C1CC21COC1,0.2761 CC1CCC1C(C)(C)O,0.3185 CC(=O)C(=O)C#CC=O,0.1508 N#CC1C2CC=CC12,0.247 O=C1CC2CCNC2=C1,0.209 O=C1CC(CCO1)C#N,0.2655 COC12CC(C1)C2,0.3441 C#CC(=N)NC(=N)C#N,0.1911 CCC1CC1(CC)OC,0.3243 OCCC1CC=CCO1,0.2674 COC1(CCC1)CC#C,0.2949 c1cnc2c(n1)cn[nH]2,0.186 CC(C)Cn1cccn1,0.2621 c1c(ocn1)C2CC2,0.23 CC(=O)CN1C2CC1C2,0.2185 N=C1NC(CC1=O)C#C,0.18 OC1CCC1(O)CC=O,0.2184 OC12CC3OC1C=CC23,0.2439 CC(C#N)C(C)C#N,0.338 CC12OC1COC2=O,0.2524 C1CC1C1CC1N1CC1,0.3132 CCCC1(C)CC1C#N,0.3105 OCC12CCC(O1)C2=O,0.23 O=CC1OC(=O)N2CC12,0.2186 OC1CC1C1CC=CC1,0.2646 CCC1(CC1)C(C)C#N,0.3182 COC(=O)NC(=N)C#C,0.2205 NC1(CCC2OC12)C#N,0.2886 CCOCC(C)(N)C#N,0.2875 CC1C2CC(=O)C1C2O,0.2235 CCN=C1NC(=O)CO1,0.2425 C[NH2+]CC1=C([O-])C=NO1,0.2124 O=CC12C3CC1C(=O)N23,0.2115 Cc1c(cnn1C)O,0.2297 N#CC1CCN2CCC12,0.2618 O=CC1C(C#C)C2CN12,0.2122 CCN1C(=O)CN=C1N,0.2335 O=C1NC2CC2C2NC12,0.2513 CC1C2C=CC(=O)N12,0.1952 CC1(NCC1=NO)C=O,0.1949 O=CC1CC2OCC=C12,0.2068 CC(OC=O)C1COC1,0.2607 NC(=O)C(CC=O)C=O,0.2117 CCc1conc1NC,0.2294 c1c(cc(=O)oc1N)N,0.1853 CC1C(CC11CN1)=NO,0.2456 CC12OC1CCC2C#N,0.3073 COCC(O)C(C)C=O,0.2263 OCC(=O)C1CCC1O,0.2223 O=CC12CCC(CO1)C2,0.2227 CC12CC3CN1C2C3O,0.3003 c1c(c([nH]c1N)O)C=O,0.1754 OCC1=CC2NC1C2=O,0.2355 Cc1c(nn(n1)C)C#C,0.2156 OCC1NC1C1CCC1,0.3165 CCC(O)C1NC1CC,0.3141 CC1OCCC1(O)C#C,0.2731 C1c2c(nn[nH]2)NC=N1,0.2032 NC1=C(N)C(=O)ON=N1,0.1465 CC1C2CC1C2(O)CO,0.3074 CN1C2CC1(C)CC2=O,0.2084 CC1C2CC=CC2C1=O,0.2052 C1CC23C4C5C(N24)C35O1,0.2598 CC1(C)OC2CC1(O)C2,0.3029 OC12C3OC3C1CC2=O,0.2086 CN(C)c1n[nH]c(=O)o1,0.2449 C(C(=O)N)C(=O)NC=N,0.2175 C1C(CN1C=O)C=O,0.2082 OC12CC1(OCC2)C#C,0.2606 O=CC1=CC2OCC1O2,0.184 CCC1OCC1CCO,0.3161 CC1(C)CCC2CC2O1,0.311 CC1CC(C#N)C1(C)O,0.3002 CC1N(C)C11COC1C,0.2986 CC(=O)C12CC1C1NC21,0.2063 CC12CC(C)(C=C1)C2=O,0.2418 CC12CC3OC(C1)C23O,0.3041 Cc1cc(c(cn1)O)O,0.2172 OC1C2C(=O)C1C21CN1,0.2532 OC12CC3C(NC13)C2=O,0.2037 CCc1cnc(=O)[nH]n1,0.1701 CC1(C)C2C3CN2C13,0.3101 C1CN(C=N1)C(=O)N,0.2308 C1C(=O)C=C(C1=O)C=O,0.1283 OC1CC1(O)C(F)(F)F,0.3001 COC1CCC=C1C#N,0.2134 C1CC12COCC23CC3,0.3172 CN1CC11CCC1C#N,0.2744 N#CC12CC(O1)C=C2,0.236 CC(=O)NCC(=O)C#N,0.1629 C1C2CCC=C3CCC123,0.236 OC1C2CC(=O)C1O2,0.2113 OCC1CNCC(=O)C1,0.1968 COC(C)C#CC=O,0.2052 OCC12CC1CC1CC21,0.3131 CC1(CO)CC(CO)C1,0.3321 CC1CC2C3OC2(C)C13,0.2996 CCC(=NO)CCOC,0.2532 CC1CC(CO)CCO1,0.3183 OC1C2OCOC1C2=O,0.1888 CC12CCC3(CN3)C1O2,0.3196 CCc1coc(c1O)C,0.2242 CC1C2OC1(C)C(C)=C2,0.2353 CC(=O)NCC1COC1,0.2739 CC1OCC=C1C#N,0.2055 NC1=NCC2OC2C1O,0.2477 CC12OC1C1OCC=C21,0.2278 COc1c(nc[nH]1)OC,0.2185 OCC1(CC2CN12)C#N,0.271 CCC(O)C1(C)CN1C,0.289 OC(CC#C)C=O,0.2247 CC1COCC1C=O,0.2202 CNc1cc(cnc1)O,0.1926 O=CC1C=CC2NC12,0.2087 C(CCC=O)CCC=O,0.2249 COCCCN1CC1,0.3196 OCC1CC=CC(O)C1,0.2577 CC1NC(=O)OC1C#C,0.278 CC1C2C(C)C1(C)C2C,0.3622 C1C2OC3CC12OCC3,0.3029 CC1C(C)C1CCO,0.3371 CCC1C(O)C11COC1,0.2995 CC1OC1C12CC1OC2,0.3032 O=CC12OCC3C1OC23,0.2059 c1c(c[nH]c1C=O)CO,0.1812 NC12C(O)CC1OC2=O,0.2432 c1c(=O)c(n[nH]c1N)N,0.1865 c1c2c([nH]c1O)OCC2,0.2268 OCCOC1C2CC1O2,0.3109 CC(O)C1=C(O)NC=N1,0.2373 N#CC1OC2C3OC3C12,0.2725 CCC1CCC1C#C,0.3021 CC(=O)C12NC3C1NC23,0.2111 CN1CC1(CCO)C#N,0.2753 CC1C2CC1C2(C)CO,0.335 CC(C)(C)CC1CCC1,0.3518 CC12C=CC3(O)CN1C23,0.2225 CC1OCC(C)(C)C1C,0.3096 COCCC#CCC#N,0.2801 CN(C)CC(=O)CC#N,0.2027 Cc1c(nno1)C(=O)C,0.2054 CN1C2C1C1C2C1(C)O,0.2696 N#CC12CN3CC1C2C3,0.2909 CC(C)C1NC1C=O,0.2213 C#CCCN=C(C=O)N,0.183 COC12COC1CCC2,0.3176 CC1N=C2CCN2C1=N,0.2232 COC1=COC(=N)N=C1,0.1505 CN1CC2=CC(O)CC12,0.2262 CC12CC(C)(CCC1)O2,0.3129 CN=C1OCCC1C#N,0.2625 CC(O)C1=COC=C1O,0.2347 CC1CN2C3C(O)C2C13,0.328 O=CC1OC1C(=O)C#N,0.1617 CC(C)OC1CC(O)C1,0.3205 CCC1(C)C2NC2C1=O,0.2142 CC#Cc1nc(co1)N,0.1751 CC(C#C)C12CC1OC2,0.281 CC1OC2(CC12)C(N)=O,0.2583 CC1C2CC3C(O2)C13O,0.2912 c1c(c(c(o1)N)N)C=O,0.1633 CCC#CC(=NO)C,0.2031 OC1CC=C2CCC12,0.2471 O=C1OC2CC1(C2)C#C,0.266 CC1=NN(C=O)C(=N)N1,0.1977 O=CCN1CC2NC2C1,0.199 N=C1NC(=O)NC2CC12,0.2523 CC12C3C1C1CC3C21,0.3294 C1C2COC3CCC12O3,0.3204 CCc1conc1OC,0.2511 CN=C1C=C(CCO1)N,0.197 O=C1COCCC11CN1,0.2113 CC(C)C1CC(C1)C#N,0.3328 CC1C2COC3CN2C13,0.2938 NC(C#N)C1(O)CC1O,0.2857 CC1OC(C=O)C1(C)C,0.2118 C1NC23COC12C1NC31,0.2598 N=C1OC2C3CCC2C13,0.2797 CC1CC2=CCC(=O)N12,0.2075 CCC1C=C2CC3C2N13,0.1665 O=CNC1C2CC1O2,0.2714 CC1CCCC2CC1C2,0.3562 OCC12OC1C(O)C2=O,0.1943 O=C1C2CC3C2C=CC13,0.2004 CCC1=C(C)C2CC1C2,0.232 CC1(CN1)C(CO)CO,0.3061 C1COCOCCC1=O,0.2229 CCC12CC3OC1C2O3,0.325 OC1(C2CN2)C2CCC12,0.2907 c1c2c(on1)CCO2,0.2043 OC1C2C3C4CCC13N24,0.2953 OC1CC11OCOC1=O,0.2485 CCOc1c[nH]nc1C,0.2371 CC1=CC2CCC2OC1,0.2545 CC1CCC(C)OCO1,0.3318 CC1CCOC1C#N,0.2955 OCC12NC1CC2C#C,0.2867 CC1CC2C1OCC2O,0.314 C1CCC(=CC1)C2CC2,0.2542 [NH3+]C1(CCC=C1)C([O-])=O,0.2349 O=CC1CC2CNC2=N1,0.2102 C1CCC(=CC1)CO,0.2614 OC(C#N)C1=CN=NN1,0.244 CCC1C(CC)C1CO,0.3219 c1c(=O)c(coc1N)N,0.1893 C1CN1CC(=O)C(=N)N,0.1806 C1CC2CC3OC(C2)C13,0.3063 CC(O)C(C#N)C1CO1,0.3055 CNc1c(ocn1)C=O,0.1691 CC1CCCCC1CO,0.3398 CC(C)c1cncn1C,0.2467 CCOc1nc(co1)N,0.2288 O=C(C#C)C1COC1=O,0.2016 CC1C2(C)CCC12C#N,0.2779 C1C(=O)CC12CO2,0.2171 CC1(OC2CC12)C1CO1,0.3147 CNC1CCOC1=O,0.245 CN=C1NC=NCC1O,0.225 OCC12COCCC1O2,0.329 [NH3+]C1CC2=CC(=O)O[C-]12,0.1783 CC(O)C#CCC1CC1,0.2899 O=C1CC2CN2C=C1,0.1846 CC1CNC(=NC1)C#N,0.2077 CC(=O)n1ccnc1O,0.1734 c1cnc2cocc2n1,0.1437 CC1CC2OC(=O)C12O,0.2622 CNC(=O)c1ccc[nH]1,0.2054 CC1(C)C2COC1OC2,0.3257 CC(OC=O)C1CO1,0.2773 CC1CC2C1OCC2=O,0.2142 COC1CCCC(=N)O1,0.2889 CC1C2CC1(O)CC=C2,0.2531 CCc1c(n[nH]c1O)N,0.2418 CC12C3OC1(C)COC23,0.2879 OC1CC(O)C1O,0.2998 CC1=CCC=CC=C1C,0.189 N#CC1CCCC1C#N,0.332 CC1CCC2NC(=O)C12,0.2763 CC1CNC(=O)C1C#N,0.2617 CCC#CCC=O,0.219 O=C1CC2CC1(O2)C#N,0.2137 OC1(COC2CC12)C=O,0.2041 Cc1ncn(n1)CC#N,0.2571 CCC1(NC1(C)C)C#N,0.2792 CCC1=NCC(OC)O1,0.2807 OC1C2OC2C1(O)C#N,0.2709 c1nc(n(n1)C=O)N,0.199 CC(=NO)C(O)CC#N,0.2523 OC1C2OCC1(O)CO2,0.3083 OC1C(=O)CCC11CC1,0.2217 O=C1C2CC3NC3C1N2,0.2354 CC1CC2CCOC1O2,0.3249 ON=C1C2CC1OCO2,0.2446 Cc1c(=O)[nH]c(cn1)N,0.1662 CC(=O)C1OC11COC1,0.2212 CC1(NC1C1CO1)C#C,0.2723 CC(=O)CC1(COC1)O,0.2135 Cc1cn(cc1C=O)C,0.1936 CCCC1(C)CC1O,0.333 CC(C)OCCCC#N,0.2989 CC1CN(C=O)C1=N,0.2293 CN1C(=N)OC(C)=C1O,0.2205 COCC1(CN1)C#N,0.2883 CC1(CN(C1=O)C=O)C,0.2168 OCCCC(CO)C#N,0.3002 CC1OC11CC2C(O)C12,0.3121 CC1CC(O)C1C(N)=O,0.2606 NC(=O)N1CC2OC2C1,0.2952 CC1(O)CCC1C#N,0.3042 C1OC23CC(C2)CC13,0.3242 CN1CC2OCC12C#C,0.235 NC1COCOC1C#N,0.2615 c1cc(oc1)C2CCC2,0.23 CN=C1NC2(C)CC2O1,0.2697 C1C2C3C4CC(C1O4)N23,0.3219 CC(C=O)C1C(C)C1O,0.2014 NC1CC1(OC=O)C#N,0.2347 c1cc(=O)oc(c1O)O,0.1532 CCC12OC1CC2=NO,0.2494 C1CN(C(=N1)C=O)C=O,0.1884 CC1COCC(=O)CN1,0.1992 CC1C2CC1C(=O)CO2,0.2277 CN=c1cc(nc[nH]1)F,0.1738 CC1C2CC(C2O)C1O,0.3153 CC(C)(C)OC(=O)C#C,0.2337 C[NH2+]CC[N-]C(=O)C#N,0.1334 CCCOC(CO)C#N,0.2984 CC1C(C)C(=O)OC1=N,0.2624 C1OC23CCC4C2N4C13,0.2944 CC1OC11C2CC1C2=O,0.2509 OCC1OC2C1CC2=O,0.1999 CC12CCC1COC2,0.3307 Cc1nc(c(n1C)O)N,0.2307 CC(CO)C1=NC=NN1,0.2663 c1c(c2n(n1)CC=C2)O,0.175 CC1C(O)CN2CC12C,0.2845 CC1CC1C1=CN=NN1,0.245 Cc1cccnc(=O)n1,0.1609 COC(=N)N1C=CC=N1,0.2364 c1n[nH]c(=O)n1C=O,0.1999 CC(C(O)C#N)C(C)=O,0.2293 CC1OC2CC2OC1=N,0.2693 CN1CCc2c1coc2,0.2135 CCOC(=O)CC#CC,0.2589 CC12C3C1C1(C)C2C31C,0.3001 CC1C2NC(C#C)C12O,0.2502 COc1cc(on1)OC,0.2499 OC12C3C1N1C3C=CC21,0.2113 NC1C(C#N)C1N1CC1,0.2692 CC12CC1C1=CCCC21,0.2404 CC12CC3C(CCC1)C23,0.3295 CC1(C(C(O1)(C)C)O)C,0.3008 CC#CC1CC1C(C)O,0.2837 CN1CC(C#N)C1C#C,0.2503 CC12OCC(O1)C1CC21,0.3356 CC(=NCC#C)NC=O,0.2302 CC(=O)c1ccncc1,0.1843 CCC1(NCC=C1)C#N,0.2313 O=CC1=CC2C3OC1C23,0.1801 CCC12CC(C1)C2,0.3778 CC1NC(C=O)=NC1C,0.1645 CC12CC3(C)C(CC13)O2,0.3292 C1C2C3C4COCC13C24,0.3376 CC(O)C1CC1C1CO1,0.3302 CCC#CC(=O)C1CC1,0.2066 OC12CCC(O)(C1)C=C2,0.2595 CCC1(C)C2CC1C2C,0.3659 N=C1COCOCCO1,0.2711 O=CN1CC=CC1C#C,0.2413 CC1CN2CC(O)C2=N1,0.2421 CC(C)C1CC1C(N)=O,0.2676 CC(O)C12OC3C1NC23,0.29 C#CCC12CC(CC1)O2,0.2955 C#CC1CCC2CC12,0.3108 COCCC(=O)CC#N,0.2288 ON=C1CC2OC2C1=O,0.1671 CC12C3CC1C3C2C=O,0.2181 CC#CC1(O)COC1=O,0.2423 CCC1OC(C)C1O,0.302 CCN=C1CN=CN1,0.2204 CC1C2CC1(O)C2(C)O,0.3139 C(C=O)C#CC(=O)N,0.2172 CC(C)N1CC1C(N)=O,0.2386 CC1CC2=CC(C)CC12,0.2453 OC1C2CC1(C2)OC=N,0.2806 COCc1c[nH]nc1O,0.2479 N=COC1CC1C#C,0.2647 CC12C3C1C1C3C21CO,0.279 OCC12CC1(O)C1OC21,0.3048 O=CC#CC1OCC1=O,0.1966 C1OC23C4C5C(C12)C3N45,0.2832 C1CC2(C1)COCOC2,0.3357 OC1C2CCCCC12,0.3099 CC1CC2CC1C2CO,0.3385 C(C=O)OCC#CCO,0.2282 COC1C2C3CC3(C)C12,0.3352 CNC(=O)C(C)CC#N,0.2742 O=CN1C2CC3OC3C12,0.2635 CC1CC1C1CC=CC1,0.2647 N=C1OC2CC=CC2=C1,0.1789 O=C1CNCC2CN12,0.2237 CCCC(C)CC#C,0.3137 CC1(C)CC2C1OC2=N,0.2844 CC(O)C(=N)N(C)C=O,0.2375 COC(=O)N1CCN=C1,0.2357 CC12CC3C(C=O)C1N23,0.2092 c1cnn2c(n1)cnn2,0.1591 CN1C(C#C)C(O)C1=O,0.2548 CC1C(O)C11CCC=C1,0.2444 COC1C2C(O)C2C1=O,0.2108 C1OCC23CN=CN2C13,0.2379 COCC1(C)CN2CC12,0.3108 O=C1COCC(C1)C#C,0.2103 CC#CCC1(CO1)C=O,0.2098 CC1=NC(=CN1)C1CN1,0.2319 CN=C1CN=C(N1)OC,0.2354 C1CC1(C=O)NCC#N,0.2169 CC12OC(=N)C3C1CC23,0.275 O=CC1C2CC3(CC3)C12,0.2175 O=C1CC23CC12NC=N3,0.2146 c1c(nc(o1)N)OC=O,0.2141 OC1CC23CC=CC12O3,0.2311 CC1NC1COC=O,0.2765 ON=C1C2CC1C=CC2,0.2447 OC1C(O)C2(CO2)C1O,0.2778 CCC1(C)OC2CC12O,0.2974 C1CC2C3C4CC3C24C1,0.3449 OC12CC(C=C1)C2C#C,0.2358 OC1CC11CC(O)C1,0.305 CCOC1=NCC2NC12,0.2642 OCC1C=CCOC=N1,0.2491 OCC1(O)C2C3OC2C13,0.2814 C#CCNC(=O)CC=O,0.2226 CN(C)C(=O)CNC=O,0.2589 C1C(CC1=O)C=O,0.226 CC1CC2C3CC2C13O,0.326 C(C(=O)N(C=O)C=O)N,0.2077 CCC1(C)CC2CC12C,0.3236 CCC1(CC1)C(O)C#N,0.3067 CC(O)C#CC(C)=O,0.2083 C#CCNC(C#C)C#N,0.2558 C(COC=O)C#CC=O,0.2042 CC(C)C(C)C1CO1,0.3439 CCC1COCCC1C,0.3169 C#CC1OC2(CC12)C#N,0.2412 O=CC#CC1CNC1=O,0.1968 C1OC2CCOC1C=C2,0.2413 CC(O)CCOC(C)=O,0.2848 CN1C2C1C1(C)OCC21,0.2869 CC1C(OC1=O)C(N)=O,0.2578 CCc1c([nH]c(n1)O)N,0.2463 FC1=NC(=N)C=CO1,0.2132 CC1(O)CC2N=COC12,0.2622 C(#N)C(=O)C(F)(F)F,0.2058 NC(=O)C1CCC2NC12,0.2704 CC(C)(C)CC(O)C#C,0.2951 CC(CO)C1(C)CC1O,0.3194 CC(CO)C(O)C=O,0.2244 CCOc1c(nc[nH]1)C,0.243 CCC(O)C(F)(F)F,0.3599 CCC1CCC1C(C)O,0.3226 CC1COCC=C1,0.2649 OC1C=CC2(O)CCC12,0.249 c1nc2c(o1)OCCN2,0.2085 COC(C)CN1CC1,0.3253 OC1C2NCC(=O)OC12,0.2411 CC(O)C1(CO)CCC1,0.3225 C1CC(C1)(CCCO)O,0.3268 C1CN1CC#CC=O,0.1928 c1(c(n[nH]n1)N)C(=N)N,0.2003 CC1NC1C1CC(=O)N1,0.2829 CC(C)C(C)(C=O)C=O,0.1935 N=C1NC(CO1)C#N,0.2566 Cn1c2c(nn1)OCO2,0.2082 O=C(CC1CO1)C1CN1,0.228 C1CC11OCCC11CN1,0.3 CC1=Cn2c(cnn2)C1,0.2082 CC(C)CC1(CC1)C,0.3385 N=C1N(CC11CN1)C=O,0.2254 O=C1COCCC2CN12,0.2369 OC1CC(=O)N2CCC12,0.2577 CC#CC(O)CO,0.2787 CN1C2C1C1(CO1)C2O,0.3039 CN1C(=N)CC=CC1=O,0.1956 CC1=NC(C=O)C(=O)N1,0.2136 CC1CC2(CN2)C1C=O,0.2114 COCC(C)(CO)C#N,0.3063 OCC12COCC1C2O,0.3103 N#CC1=CCC2NC2C1,0.2201 COC1(C)CNC1C#N,0.2637 CC1(O)C=CC(O)C1O,0.2528 CCC12CC3N1CC23C,0.3142 O=CCC12C3CC1CN23,0.2122 CC(=O)OC(C=O)C#C,0.2243 OCC1C2CC1(O)CC2,0.3243 O=C1CC2(CCN12)C#N,0.2392 O=CNCC1CC2NC12,0.2635 OC1C(OC=O)C1C=O,0.2124 Cc1c(cc([nH]1)O)OC,0.2264 CC1C2CCC(O2)C1O,0.3056 CC1OC23CC(C2O)C13,0.3007 CC(O)C1=CCC2CC12,0.2455 COC(C)C(O)C=O,0.2302 CC(O)C1=NC=CC=C1,0.2155 OC1C(O)C11OCC1O,0.2684 CC1(CCCN1)C#N,0.2834 COC(C)C(C)CC#N,0.3003 CC(C)CCCC(C)C,0.3778 CNc1c(nc([nH]1)O)O,0.2382 Cc1cc(c(=O)on1)N,0.1752 CC1(O)C2OC1C2(C)O,0.307 CC1(C)C2CC(=O)C12O,0.2271 CC1=CC2CC1CC2=O,0.2058 c1nc2c(o1)CCC2,0.2312 OC1C2OC1C1CC2C1,0.3168 CC1OCCCC2OC12,0.3287 COC1C2C3OCC1C23,0.3032 CN1C2C1C1CC2C1O,0.293 C1C2C3CC(C4OC34)N12,0.3123 COC(=O)C(=O)OC,0.2106 O=COC1OCC2OC12,0.2795 CC(O)CCC(=O)C#N,0.2017 O=C1C2C3OC1COC23,0.2076 OC1CC2COCC2=C1,0.2486 CN1C(CC=O)C1C#N,0.2171 CN=COC(C)C1CN1,0.2646 CC1CC1(N)C(N)C#N,0.2693 CC1(CC(C1)C#C)C#C,0.2868 OC(COCC=O)C#N,0.2294 OC1COC(=O)C2NC12,0.2525 CC1OC2=NCCCC12,0.2697 CC1OC(CO)C1C=O,0.2116 OC1=CNC(=N)O1,0.2344 c1c[nH]nc1NC(=O)N,0.2368 C#Cc1c(cco1)C=O,0.1704 NC(=O)C1(CO1)C#N,0.252 CC1OCC(O1)C1CC1,0.3385 CC1CC=CCO1,0.2671 N=COCC12CN(C1)C2,0.2515 OC12CCC1(O)C=CC2,0.2611 CC1=NNC(=O)NC1=N,0.1963 c1coc(=O)c(=O)cn1,0.1508 CCC12CC3C1C2C3C,0.3295 CCCOCCC#N,0.3054 OC1CC(C#C)C11CO1,0.2876 CCOCC1NC1C,0.3246 OC1CC23CC4C2C1C34,0.3343 CC(C)c1cc([nH]c1)O,0.2439 OC1C2CC(C2)CC1=O,0.2205 Cc1c(cn2c1CC2)O,0.2271 ON=C1C2C(O)C1C2O,0.2647 CC1OC1(C#C)C1CC1,0.2819 CC(=N)OCCNC=O,0.2807 Cc1c(n[nH]n1)C(=O)C,0.2033 CCC(O)C#CCCO,0.2909 CC12COC3CC1CC23,0.3184 Cc1cccc(n1)CO,0.2231 OC12CC1C1(OC21)C=O,0.1991 CC1N=CN(C=N)C1=N,0.2136 CCCC(=O)C#CC#N,0.1854 CC(O)C1COCCO1,0.317 CC(=NO)C(C)(O)CO,0.246 CCC1(C)C(C)N1C,0.2886 CC12CC(C)(C)C1O2,0.3332 COC1C2NC2C2OC12,0.2922 CC12CC3C1C3(O)C2O,0.3105 CCC(=O)NC(=O)CO,0.225 c1cc2n(c1N)CCO2,0.2282 CCN1CCC1CC#N,0.2594 O=CC(OC1CC1)C#C,0.216 CC1CC(CC=O)C=C1,0.2232 CCC1CC=CC1C,0.2637 OC1C2CCC(=O)OC12,0.2689 CC1CC(C)C1NC=O,0.2761 Cc1c(nc([nH]1)OC)O,0.2314 CC1CC2(CO2)C1O,0.3209 OC12CC3CN(C1)C23,0.2746 O=C1CCC2CCC=C12,0.182 CC1OC2CC2C1=NO,0.2353 C1C2CC3C4C2N4CC13,0.3149 OC(C=O)C12CC(C1)O2,0.2061 CC(O)C1(CO1)C1CC1,0.3202 CC1CC(C=O)C1O,0.213 CC12C3OC(C)(C13)C2=O,0.2248 CC1C(O)CCCC1O,0.2988 CCC#CC(C)CO,0.3022 CC12OC3CC1(O)C23C,0.2766 CC1CC(O)C(C)CO1,0.3231 CC12C3C4C1OCC2N34,0.3095 CC1(CN1)C1=CN=NO1,0.2235 CC1(CCO1)C(O)C#C,0.2897 O=C1CC2C3CCN3C12,0.1793 OC12CC3C1NC23C=O,0.2115 CCCCCC1CCO1,0.3293 O=C1CCCC1C#N,0.2175 C(=O)n1nc(c(n1)O)N,0.1828 CC1C2C3N(C)C2C13C,0.2912 CN1CC1(C#C)C(C)=O,0.2102 CN1CC11C2CC1(C)O2,0.3171 OC1COCC2CC12O,0.3076 O=C1CC2C3C1CN23,0.2185 CC1CC2(CC(=O)C2)O1,0.2132 CC1=CCC=CCC=C1,0.1919 CC12COC1(CO2)C#C,0.2541 CC1C2CC1(O)C2C#N,0.3018 CCCC(=O)C(O)C#C,0.2262 CC(C#C)(C#C)NC=O,0.2658 CC(CCO)C(N)=O,0.2761 CC1C2C=CCCC12O,0.2447 CC1NC11CCC1C#C,0.278 C1C2OC1C21CC=CC1,0.2616 O=C1NC23CC12C=CC3,0.2387 CC1C2CC2C1OC=N,0.2804 CC1(OCC11CO1)C=O,0.2109 CC1CC(C1)NC=O,0.2797 CC1C2CCCC1(C)O2,0.3111 OC1C(O)C11CNC1=O,0.2688 C1OC1C12CC1CC2,0.3278 CCNc1c(n[nH]n1)C,0.2159 CC1(C)OC(C#N)C1N,0.2594 N#CCC1COC=N1,0.2709 C1C(CO1)(CC=O)C=O,0.2213 O=C1OC2C=CCNC12,0.2231 CC(CC1CO1)C(C)=O,0.2302 C1CC(=NO)C2(C1)CC2,0.2372 CCC1=CCC2(O)CC12,0.2447 N#CC1CCC(C1)C#N,0.3364 CC(=O)C12CC1CC2=O,0.217 CC1OC2(C)COC1C2,0.3242 O=C1C2OC2CC1C#N,0.2089 C1C2(COCO1)CO2,0.3314 c1cc([nH]c1N)OC=O,0.1931 CN1C2CC1C(=O)C2,0.2093 Cc1cc([nH]c1CO)O,0.2261 CCCC1(C)CN1C,0.2989 CCCC(C)C#CCO,0.276 CC(O)C1=NCC(C)O1,0.2739 NC1=C(O)C=CC(=N)O1,0.1548 CC1OCC2N(C)C12C,0.2994 C1CN2C3COCC1C23,0.3044 OCC1CN(C=O)C1=N,0.2273 c1c2c(on1)NC(=O)C2,0.209 CC12C3CC1(C)OC23,0.3121 N=C1OCC2C3OC1C23,0.2593 C1CC2C1C1OCC=C21,0.2292 CC1C=CC2NC2C1C,0.2438 CN(C)C(=O)NC=N,0.2501 COC1CNC11COC1,0.292 c1c(n[nH]n1)C#N,0.2411 C#CCCCC#CC#N,0.2331 CCc1cnc(nn1)N,0.1651 CC1=CCc2c1cn[nH]2,0.2057 CN=C1CNCC(=O)N1,0.2173 O=CCC1CC1C#C,0.2219 CC1(C)C2C(=O)CC12C,0.2289 O=C1CC2CN2C(=O)C1,0.2192 CC#CCC1OC1C=O,0.2116 COCC(C)C(N)C#N,0.2827 NC(C#C)C1(CN1)C#N,0.2757 OCCC(=O)C1CC1O,0.2192 CC1CC(C=O)C(=O)O1,0.2242 CC1CC(O1)=NCCO,0.2637 O=C1OC2CCC1O2,0.2676 CC1C2OCC12NC=O,0.252 OCC12OC1CNC2=O,0.2503 C1CC12CC=CC23CC3,0.2446 Cc1coc(c1O)OC,0.2227 CC1CC2OCOC2=N1,0.2719 CCC1CC(C#N)C1O,0.2981 O=CCC1=CCC2CC12,0.2006 CC12NC1(CO)CC2=O,0.2213 CC1OCCC1(C)C=O,0.2216 O=C1NC(CC#N)CO1,0.2892 CC#CC(C)(O)C(C)O,0.2863 OC(C=O)C(=O)C1CN1,0.1974 CC(=O)C1C2CC1C2O,0.2252 COCC(C=O)C(C)=O,0.2048 CN1CC1C1=CON=C1,0.2157 CC(O)C1(CN1C)C#C,0.2698 CC(C#C)C(=O)C1CO1,0.2117 c1cc(n(c1)C(=O)N)N,0.1761 C1C2CC1C=CC=C2,0.1793 CC(C)CCC(C)O,0.3344 Cn1c(cnc1N)C#N,0.1985 CCC(=O)NC(=O)N,0.2434 Cc1c(n(c(n1)O)C)C,0.2436 CC1CC2C3CC3CC12,0.3254 N=C1OC2(CC1C2)C#C,0.2749 CC1=CCOC2CC12,0.2466 CCOC1CC(C1)=NO,0.2486 N=COCC#CCC=O,0.2227 COC12COC(C1)OC2,0.3192 CCC1(C)C2OC=NC12,0.2509 CC1C(O)CC1CC#C,0.313 CNc1c(cccn1)N,0.1919 CC12CC(C=C1)C2C#C,0.2357 CC1CC(C)C(C)=C1,0.2581 C#CC1=CCNC(=O)N1,0.188 FC1=C(F)C(=N)NN=C1,0.1653 N=C1COC2CC3C2N13,0.2494 N#CC1CC2CCN1C2,0.2667 N#CC1C2C(CN12)C#N,0.2684 C(=O)C#CC#CC#N,0.1661 O=C1NC2(CC2)C2NC12,0.2503 OC1C2COC12CC#C,0.2792 CCCC(OCC)C#C,0.3012 CCC1=CC(O)CCC1,0.2508 CC#CC1OC1C#N,0.2545 O=C1C2NC2C11CCC1,0.2147 Cc1cnc(nc1)OC,0.2048 NC1C(C#N)C1C#N,0.2532 CC1CCOC(C)(C)C1,0.3206 CC(O)C(O)C1CC1C,0.3113 CCN=C1CC(CC)O1,0.2776 CC1OC2C3NC3C12,0.2958 O=CNC(CC#N)C#C,0.2702 c1nc(no1)OCC=O,0.2304 COc1ccc(nc1)F,0.1994 OC1C2CC2(O)C11CO1,0.312 CC#CC1(COC1)C#N,0.2755 C#CCc1c(nco1)N,0.2076 CCC1C2NC2C2NC12,0.2868 CC12OC1C1OC21C,0.2946 OCC1OCOC2CC12,0.3345 CC12CC3C(C1O)C23O,0.3031 OC1C2OC(=O)C1C=C2,0.2266 CC(C)(C#N)C1(CC1)O,0.3036 CN1C2CC2(O)C1C#N,0.2369 CC12CC=CC(O1)C2O,0.2396 CC(C)C12CC1C(C)C2,0.3256 CCC1(C)CC2NC12,0.3124 OC1C2OCCC12O,0.3041 CC1(CC#CC=O)CO1,0.2049 OC12CC1(O)C(=O)OC2,0.2548 OCC1C2N1CC2=O,0.2201 CC1OCCCC1CO,0.3157 CC12NC1C1N=COC21,0.2603 CC1NC11COC1CO,0.2963 O=COCC1C2CN1C2,0.2569 CC(C)(C)CC#N,0.3453 OC1C=CC(O)C11CN1,0.2325 CN1CC(N)C1C#N,0.2544 NC1=C(OC=N)N=CO1,0.2056 CC#CC(=O)C,0.2082 CCOCC1CN1CC,0.2971 CC1CN2C1C=CC2=O,0.2059 CCCC1CC1(C)C=O,0.2271 CC1CC(O)C1(C)C#C,0.293 CCCOCCC=O,0.2283 c1c(coc1N)CO,0.2234 CC(O)(C#N)C(O)C#N,0.2875 CCN=C1NC2CC12O,0.2332 O=CCC1(CC#C)CN1,0.215 OCCC1C2C3C1CN23,0.3112 c1[nH]c2c(n1)COC2=O,0.2192 C(C#CC=O)C#CC=O,0.2035 CCc1cnc(=O)on1,0.1671 OC12CN3CC1OCC23,0.2948 OC(CC1CCO1)C#C,0.2758 CC1CC2C(CO)CC12,0.3335 [O-]C(=O)C12CN1C(=[NH2+])C2,0.1376 C1C=C(COC1=O)C=O,0.1955 OCC12OCC1C2C#N,0.284 C1NC11C2NC1C1OC21,0.2973 C1OC2C3CC(O3)C=C12,0.2272 CN=C1OCCNC1C,0.2537 CCC(O)C1CC1O,0.3129 C1CC1NC2=NCCO2,0.2788 C(=N)NC(=N)C(=O)N,0.2077 c1cnoc1C2(CC2)O,0.231 COC(C)CC1CC1C,0.3333 CCC12CC(C)(C1)C=C2,0.2376 c1c(c([nH]c(=O)n1)N)F,0.1715 NC12C3CC1OC2=NC3,0.2059 CC1CC(C)(C#N)C1=O,0.2146 CCC1CC2=NC=CN12,0.2555 CC12C3CC1CC23C#C,0.2682 CCC1OC2CC1C2=O,0.2074 OC1(C=O)C2CC1C2=O,0.1958 C1C2OC11CC3NC3C21,0.2944 OCC1C2OCC12C#N,0.2697 CC1(O)C2OC2C11CN1,0.2995 COC1C2CC2C1C=O,0.2151 c1c(nc2n1C=CC2)O,0.1777 CC1C2OC1C2(N)C#N,0.2801 CC1(O)CCC1C=O,0.2198 CCC1(NC1CO)C=O,0.2265 C1C2CC3CC(CN12)O3,0.2947 C1C2CC3(COC=N3)C12,0.2659 OC1C2OC2CNC1=O,0.2777 Cc1coc(=O)c(n1)N,0.1634 CN1CC2(O)CC(=O)C12,0.1952 Cn1c(cnn1)C#N,0.2234 CC#Cc1nnn(n1)C,0.218 CCC(C)(C#N)C#N,0.325 CCC1C2C3C1C2C3=O,0.2482 CCCCC1(CO1)C#N,0.3017 CC1C2C3C=CC1C23C,0.2349 CC12COCC3CC1C23,0.3248 C(C#CCO)C(=O)C#N,0.1755 CC(=O)C1C2C3CN2C13,0.2139 COc1c(cn[nH]1)C=O,0.2093 CCC1NC(C=C1)C#N,0.2343 CN=CN1CCNC1=O,0.2417 C1COC(=N1)C#N,0.2192 CC(C)C1CCC1C#N,0.329 c1c(c(n[nH]1)O)N,0.2228 CC(C#N)C1NC1C#C,0.2852 COC12CC1(C)C(C)C2,0.3304 CC12CC(C1CO)C2=O,0.2483 CC1CCCCC1(C)C,0.3587 COC12CC1CC21CC1,0.3255 CC12CC1C1OC2C1=O,0.2389 c1c(=O)cc(oc1F)F,0.211 CC1CN=C2C(O)CN12,0.2404 OC1C2(O)CNC12C#C,0.2368 C1CC2(O1)C1CC2O1,0.3109 CC1=CCc2c1cc[nH]2,0.1961 CC(CO)CC(O)C=O,0.2316 O=C1C2NC2C1C1CN1,0.2089 c1c(c(no1)O)OC=O,0.2415 CC1(C)NC1(C)CO,0.2967 CC1=CCCCC1=NO,0.1976 CC#CC(N)(C#C)C#N,0.2539 CC(O)C(C)C(C)C#C,0.3089 Cc1c([nH]nc1OC)N,0.2441 c1cn(cc1N)C=O,0.1714 CC1(CC(O1)C#N)C#C,0.2688 CC1CC(=O)C1OC=O,0.2118 C1C2CC3C4CC2C1C34,0.3363 OC1CNC1(C=O)C=O,0.188 CCC12CC(C)=CC1N2,0.231 CCC1(CN1)C(O)C=O,0.2182 COCCCN=COC,0.2716 OC1C2CCC1C(=O)N2,0.2692 C(C=O)C(=O)CNC=O,0.2049 CCC1(CC1)CC(C)C,0.337 OC1CC2CC2C2OC12,0.3293 CC(C#N)N1CC1C=O,0.2026 CC12CC1OC21CC1O,0.286 N=C1C=NC(=O)OC=N1,0.1971 OCC1CCC1(O)C=O,0.2105 CCC(=O)C1CNC1=O,0.2282 O=CCOC(=O)C1CN1,0.2297 C(#N)c1c(n[nH]n1)C#N,0.2332 CCC1(C)C(CO)N1C,0.2811 COc1cc(cnc1)F,0.2099 CCN=C1OC2C(O)C12,0.2594 CC1=CCC(C1)(C)C,0.2603 CC1C(OC=N)C1C=O,0.2206 CC(C)c1ccc([nH]1)N,0.2301 CC1(CC2(O1)CCC2)C,0.311 O=C1NC2C1CC21CN1,0.2687 C1CC1C(=O)C(=O)C#N,0.1501 O=C1COC=NC1C#C,0.1986 CC(=O)CCC=O,0.2285 CCCN=c1ocno1,0.2311 CC1CC2OC12C1CN1,0.3081 CC1(CCOC1)C(N)=O,0.2735 CCNc1coc(=O)[nH]1,0.2367 CCOCC(=O)OCC,0.2789 O=C1CCOC2CCC12,0.2177 CCCC(O)CC#CC,0.2938 CC1CC2(CC12C)C#N,0.2815 OC12CC1(CCC2)C#N,0.2771 CCC12CN(C1)C2,0.3015 CC1C(O)CC1(C)CO,0.316 OC1C2NC1(C=C2)C#C,0.2304 OC1CCC1OC=O,0.2715 C(=O)c1c(n[nH]n1)N,0.1827 CN=C1OCC1CCO,0.2783 CC1OC(=O)C2(N)CC12,0.2564 CC1C=CC2OC12C,0.2452 COCC1CCC1=NO,0.2434 CNc1nc(on1)CO,0.2228 CCOC12CC(C1)C2=O,0.2367 CC(=N)OC(=O)C(C)=O,0.1809 CC(=O)N(C=O)C=O,0.2125 Cc1c(c(n[nH]1)C)O,0.2315 CC(CO)C1CC1(C)O,0.3234 CCC1OCOCC1C,0.339 NC1(CNC1=[NH2+])C([O-])=O,0.2256 OCC1OC1(C=O)C#C,0.2108 NC(=O)C1C=CCC1O,0.2432 C#CC1OC2C3CC1C23,0.2694 NC1=NNC(=N)C=C1F,0.1504 O=C1CNC2C3CN3C12,0.198 CC(=O)C1(O)CC1(C)C,0.2203 O=CC1CC2C3CC2C13,0.2261 OC1COCC1CC#N,0.2936 C1CC1C1=CCC2OC12,0.2322 CC1(C)CCC(CO)C1,0.3409 CC1C2OCC1(C)C2=O,0.206 CC12CC1OCCCC2,0.3169 CC1=CC(=N)NC1=O,0.1913 O=C1CC2(CCN12)C#C,0.2375 C#CCn1cc(cn1)O,0.2296 [NH3+]CC1(CN1)C([O-])=O,0.2669 CC1CC(CO)(C1)C#N,0.3031 CC12CC1CC(=O)C2,0.2234 CC1C2C3C2C1C3C,0.3412 OC12COC1C(=O)CC2,0.2016 N=C1NCC(=O)C1C#N,0.1995 c1cnc-2nccoc12,0.1426 CCC(OC)C=O,0.2135 OC12COC1C1OC1C2,0.3004 C#CCCC1=NCCO1,0.271 CCC(C#C)C1(C)CC1,0.311 CC1=CCOC1C1CC1,0.2497 N=C1C=NOC(=N1)C#N,0.1901 OC1C2OC2(C=O)C1=O,0.1865 CCC1COC(C1)C=O,0.2156 CC1CN1C1CC1C#N,0.2509 CN(C)C1(CCC1)C#N,0.2629 CC1CC2=CCCC2O1,0.2545 CC1OC(=O)C1N,0.2499 CC(=O)C(=O)CC#C,0.1558 N=C1OC(=O)NCC=C1,0.215 CCOC1CC2CC12,0.3284 C(C#CCO)NC=O,0.2715 CC(=NO)COCC#C,0.248 CNc1c(con1)N,0.2252 N#CC1CC2(CN2)CO1,0.2781 O=CC(=O)C1CC(=O)O1,0.1527 O=C1NC2C(OC12)C#C,0.2429 COc1nc(on1)CO,0.2458 O=C1C=CCNC1C#N,0.1805 COC1C=CC2NC12C,0.2314 CC1OC(C)C(O1)C#C,0.2876 CCC1C(C)CC1(C)C,0.3439 OC1C2C(C#N)N2C1=O,0.22 CC1CNC=CC(=O)C1,0.1837 CN1C2COCC2C1=O,0.2747 CC(O)C(=O)C1NC1C,0.2238 c1c([nH]nn1)NCC=O,0.1815 OCC1C=CC(O)C1=O,0.2212 CC1C2N3CC3C12C,0.2844 CC(C)c1ccccc1,0.2402 O=CC12CC1NC(=O)C2,0.2185 c1c(c(=O)ocn1)F,0.1916 Cc1c(=O)ccoc1O,0.2027 COC1OC2CC1(C)C2,0.3404 CN1CC12COCOC2,0.3088 CNC1=NC(CO)CO1,0.269 CC1(CC(=O)CO1)C=O,0.2079 O=C1CC2C1CC21CO1,0.2185 C1C2OC3=NCCCC123,0.2705 CCc1c([nH]nn1)N,0.2304 O=C1C2C3CC1C23C#N,0.2376 CC12CC3(CCC13)CO2,0.2972 CCc1c(c(co1)C)N,0.2198 NC1=NC2C(N1)C2C#N,0.2531 CCC(C)C(=O)C#C,0.2043 CCCC12CN3CC1C23,0.3002 CC(CC(O)C#N)=NO,0.2465 C(C#CC(C=O)C=O)O,0.2059 CCC1C2CC3C2N13,0.3274 CN1C2C3OC3C1C2=O,0.219 O=C1NCC1C#C,0.2697 c1cnc(c(c1F)N)O,0.202 OC1CN2CC2C1=O,0.2062 CC(O)CC1C2COC12,0.3037 OC1C2C3N2C1C31CN1,0.2952 Cn1ncc(n1)NC=O,0.2213 C1CC1OC1C2CC1C2,0.3352 CNc1ccc(o1)NC,0.2127 OCCC1=CCCC1O,0.257 C#CC12CC(C1)C=C2,0.2394 [NH3+]CC1=C([O-])C=CO1,0.1712 CC1OC(CC1O)C#N,0.2876 OC1CC11CCN2CC12,0.3004 CC(O)C(O)COC=O,0.2799 C(C(=O)N)NC(=N)C#N,0.1862 CC(=O)C1(C)OC1(C)C,0.2201 N#CC1CC2CC2O1,0.2746 CC12CCCC1C1OC21,0.3339 C1N2C3CC4CC2C13C4,0.291 CC1COC2=C1ON=N2,0.1837 OC1CC(O)C1CC#C,0.3029 COCC1CC2(C)CN12,0.3131 c1c(c2c([nH]1)COC2)O,0.233 C1CC12CN(C2)CC#N,0.2569 OC12CC3CC1CC2C3,0.3212 CC12CCC1C1(CC1)O2,0.2989 CN(C)c1coc(n1)O,0.2221 N#CC1=C2CCC2OC1,0.1995 OC(C=O)C1CC1,0.229 COC1CN=C(N)C1O,0.254 CCC#CC,0.3033 N=C1OCCN1CC#N,0.2618 CC1CC(=O)C2CCC12,0.2164 CCN=COCCOC,0.2759 CC1OC(=O)C=CC=C1,0.1767 OCC1(CC(=O)O1)C#N,0.2806 N#CCNC1CC=CC1,0.257 c1cc(=O)nc(nc1)N,0.157 C#Cc1c(nc([nH]1)O)O,0.1982 CC1CC2CC(O)C12,0.314 O=C1NCC23CC12CC3,0.2557 C1N2C3C4C5C2C13CN45,0.2953 CC1CN1C1CC1(C)C,0.3104 CNC1CC(=O)OC1=N,0.2291 NC1=NOC=NC1=N,0.1923 CCc1cnoc1N,0.2244 CC1CCOC=NC1,0.2601 CC#CC1C2CC3C2N13,0.2679 CC1C2CC11OC=NC21,0.2602 CC#CC1C2C3OC1C23,0.2727 OC1C2NC1C(O)C2O,0.2838 OCCC(C=O)C1CO1,0.2196 N=C1CC(=O)C=CCO1,0.1894 O=C1NC23COC2CC13,0.2629 OC1C2C3C4N2C1C34O,0.2833 CCOC1CCC1CO,0.3216 C1CC1CCOCCO,0.344 CNc1cnc(cn1)F,0.1678 O=C1CC2CC3C(C2)C13,0.2239 CC1C2C(CC1O)N2C,0.2875 O=C1CC2CN12,0.2378 C#CC1C2NC1C21NC1,0.2848 CNc1cc(c[nH]1)O,0.2271 CC1(O)C2CC2(O)C1=O,0.2296 OCCC1CC2COC12,0.3133 Cc1cnnn1CC#C,0.2485 c1nc(n(n1)C=O)C=O,0.1796 CC(CO)OC(C)C#N,0.2852 C(CCCO)CCC#N,0.3068 Cc1coc2c1onc2,0.204 CC(CO)C(C)C#N,0.3096 COCC1(C)CC(=O)N1,0.2823 CCNC(=O)OC=N,0.2717 Cc1c[nH]cc1NC,0.2304 O=C1C2C3CC2OC1C3,0.2018 CN=C1C(=O)OCO1,0.2188 Cc1c(cn[nH]1)OC,0.227 CC(C)COCCC=O,0.2284 Cc1cnc2n1nco2,0.2031 C1C(=CC(=O)CN1)N,0.1936 CCN1CC(=N)OC1=O,0.258 CC(=O)c1nnon1,0.1862 OC12C=CC(C=C1)C2=O,0.2437 CC12C3C4OC(CN13)C24,0.2886 CCC12CC1C1OC1C2,0.3301 COCC(CC#C)OC,0.2967 c1c(oc(n1)CO)C#N,0.208 CC12CC=CC1O2,0.2467 C1CC1OC=NCC#N,0.2675 C1OC2C3C4CC(C12)N34,0.3042 CCNc1[nH]c(cn1)O,0.2343 C1C2CN1C1=C2NC=N1,0.2229 NC(=O)C(O)CC#N,0.2728 CCCOC1CC(C)C1,0.3296 CC(CO)C1CC2OC12,0.3288 CC1CC(CCO)O1,0.3237 CCN(C=O)C(=O)C=O,0.1577 CC(CC=O)C#N,0.2271 c1c(c(nc(n1)N)F)F,0.194 CC1C=CC(O)C1=NO,0.2375 OCC(=O)C1(CN1)C#C,0.2209 CC1(C)NC11CC2NC12,0.3008 CC1C2CN1C21CC1O,0.2936 c1c(c([nH]c1O)O)N,0.2208 CCC(O)C(O)COC,0.3294 CC1(C)CC1(CO)C#C,0.2892 O=CC12OC1C1COC21,0.2055 CC1=CC2(CC2)C(=O)C1,0.2148 CCOCC1(CN1)C#N,0.2869 CCN=C1OC=CN=C1,0.16 c1cnc2c[nH]cc2n1,0.1507 C1NC1C#CC1COC1,0.2702 OC12CC(C1C#C)C2=O,0.2365 CCCC1N=COC1C,0.268 OC12CN3C4C3C1OC24,0.304 CN1CC1C1CC(O)C1,0.2997 CC1=CC2OC2COC1,0.2418 NC1(CO)CC1(N)C#N,0.2661 CC(O)C(=O)C(N)=N,0.1917 O=C1NCC2C3NC3C12,0.2606 CC1=CC2(CC1N2)C=O,0.2041 CC12CCOC(=O)C1O2,0.2493 CC1C(C2CCC2)N1C,0.2859 CC1C2C=CC(=O)C12O,0.1821 CC(O)C1C2CN1C2,0.3145 CC1(COC(N)=N1)C#C,0.2691 OC12C3C1C1C3C21C#C,0.2439 OCC(O)CCCC=O,0.2281 CC1CC11CCC2CC12,0.3256 O=C1CN2CC3CC3C12,0.2019 C#CC1OC2CC1CO2,0.2836 COc1cc(no1)CO,0.2343 CCC1OCC1C,0.3249 CC1C2(C)CCC12CO,0.3038 C1C2C3OCC3CCN12,0.2897 C1OC1C12CC1OC2,0.3021 CC1(CC(O)C#N)CC1,0.2918 OC1C2OCC3CN3C12,0.2641 O=C1C2CCCCC1N2,0.2219 CC1CC2C(CC12)C#N,0.316 CC1=CCCOC1(C)C,0.2624 CC12C3OC1CC23C=O,0.2167 CCOCC1CC(=O)O1,0.2814 OCCN1CC1CC=O,0.2143 N=COCC1CC(=O)C1,0.2227 CN=C1NCC(O)C1=O,0.1767 Cn1cc(nc1N)C=O,0.1884 CCCC1(CO)NC1C,0.3051 OC12CC3CCC1C23O,0.3001 CN1CC2OC(=N)C12,0.2431 N=C1OCC2OCC12,0.2778 CC1CN(CC#N)C1C,0.2598 NC(=[NH2+])OCC([O-])=O,0.1389 C1C2C3CC=CC1OC23,0.2369 CCc1cocc1OC,0.2362 O=C1C2C3C(N13)C21CO1,0.25 c1cocc(c1=O)C=O,0.1689 CC12CC1CC(=N)OC2,0.2823 Cc1c[nH]c(c1N)O,0.2411 C(=O)C(=N)N(C=N)C=N,0.1813 C#CCC1CC=CCO1,0.2673 CC12CC(=O)C1O2,0.2164 CC1OCCC1NC=O,0.2757 OC(C#N)C1CC1O,0.2471 NC12COC1C2(O)C#N,0.2534 C1C2CC1OCCCO2,0.3023 C1C=CCC1=NO,0.2457 CC12CN1C(C)(C)C2O,0.2903 CCC1CC=CC11CO1,0.251 CC1(CC(=O)C1)C#N,0.2227 O=CCC(OC=O)C#N,0.2221 OC1=NC(=N)OC(F)=N1,0.2192 CC(C)(C)CCCO,0.3366 CCOC1C2OC1C2O,0.2949 CCN(C)c1ccno1,0.2176 CN1C2CC1(C#N)C2O,0.2324 CCC(C)COC,0.3367 O=COC(CC#N)C#C,0.2787 CC1CCC2C(O)C2O1,0.3056 CC12C3CN1C3CC2=O,0.2165 CC(=O)C1NCC1C#N,0.2193 CC(=O)C(=N)OCC=O,0.1951 CC1=CC2OC2C11CO1,0.2324 COCC1(CC1)OC,0.3351 Cc1cncc(n1)CO,0.1959 CC1CC(C#C)C1CO,0.2901 C1C2C3CC1CC23,0.3554 OC12COC1COC2=N,0.2689 OCC1COC(=N)C=C1,0.2162 CCC1COC(C)C1C,0.3148 CC1=CN=C2C(O)CN12,0.2383 CCCc1ccc([nH]1)O,0.2349 N#CC1=CC2C3NC1C23,0.1883 CC1OC1C1(CO1)C#N,0.2813 CC(C)(C=O)C(=O)C#C,0.1821 CC1OCC23CC12CC3,0.3089 CC1C(CC1=O)C1CC1,0.2202 C#CC12NC1CCC=C2,0.2344 CCCc1nccn1C,0.2452 CNC(=NC)C(=O)OC,0.1976 CC1CCC(C)C2CC12,0.3387 OCC(=O)OC(=N)C#N,0.2033 CCC1C(C)CC=C1C,0.2573 CN1CC2CC12C(C)=O,0.2044 CCC(CO)N(C)C=O,0.2694 CN(C)c1cc(n[nH]1)N,0.2362 CCOCCCCO,0.3289 C1OCC23NC12C1NC31,0.3085 CC1OCCC1C=O,0.2229 OCC#CC(=O)C1CN1,0.1961 COCC(C)CC(C)O,0.3214 CC1OC(C)C1NC=O,0.2744 O=CC12CCC3C1OC23,0.2045 C1C(=O)CN1C(=O)C=O,0.1727 CC1C2CN1C2C=O,0.2026 OC1C[NH+]2C=CC(=O)[C-]12,0.1493 CC12C(O)C1OC2C#C,0.2422 CCCC12NC1C1NC21,0.2692 C#CC(CCC#N)C#N,0.2922 CN1CC2OC(=O)C12C,0.2316 CN1CC23OC(C2O)C13,0.2616 C1CC1C1OC1C1CO1,0.3358 COC(C)C(C)(N)C#N,0.293 CC1C(OC1=O)C#C,0.2753 CN1C2C3CC2(C)C13,0.2971 CC#CC1C(O)CC1=O,0.2088 CC1CCCC(C)(O)C1,0.3278 COC1OCC=C1C,0.2611 CC(C)(C#N)C(=O)N,0.278 CCCC(O)C1(C)CO1,0.3452 C#CCN=c1[nH]cco1,0.2211 O=CNC1CC1C#C,0.2673 COC(=O)C(O)C=O,0.2226 [NH3+]CC1=NNC=C1[O-],0.2255 C1C=C2C3C4C3N1C24,0.1587 c1c-2n[nH]nnc2cn1,0.1295 CCOC1COCC1=O,0.1966 Cc1nccn1C=O,0.1904 O=C1C2CN2CC11CO1,0.202 CC1=CC2CC3C1C23O,0.2381 CN=c1ccncnc1,0.1657 C1CC11OCC2OCC12,0.319 CCCC(C)(O)CC,0.3233 CC12NC1C(O)CC2O,0.3081 C1CC11CC2CCC1C2,0.3418 CNc1cc[nH]c1C=O,0.1642 O=C1CC2CC1(N2)C#N,0.2216 C1CC11N2C3CC=C1C23,0.1693 CC1C2C3CC4C1C2C34,0.3234 C(=O)(C(=O)NC(=O)N)N,0.1965 c1ccc2c(c1)nco2,0.213 COC=NC1CC1(C)O,0.2471 O=C1OCC=CC1C#C,0.2471 CC12CCC(O)C1O2,0.3275 COC1(C)CC2OCC12,0.3138 OC1C(O)C2C1C1CN21,0.2658 COC1(C)CC1(N)C#N,0.2732 O=C1OC2CC(=O)NC12,0.2489 CCCCC1(CN1)C=O,0.2234 Cc1c(cncn1)O,0.2103 CNc1c([nH]nn1)O,0.2386 CC1NC(=O)CC(C)=C1,0.2525 N#CC1CN1,0.2851 NC(=O)C1CC2CCN12,0.2332 CC(C)(O)C(O)CC#C,0.2983 C1OC23CC4(OCC24)C13,0.2314 CC(CO)C(=N)NC=O,0.2295 CC12CCC3C1N3C2=O,0.2352 C#Cc1c(non1)C#N,0.2043 C#CC1CCC(O1)C#C,0.2845 OC12CCC(CC1)C2=O,0.2238 CC#CC1C(CO)N1C,0.2533 C1COC2(O1)CC=CC2,0.2683 OC(COC1CC1)C=O,0.2099 COC1CC2OCC1O2,0.33 COCCc1[nH]ccn1,0.2521 O=C1C2OC1C(=C2)C#N,0.2086 CCC1C(C)C1C1CC1,0.3218 CN=COCC1(C)CO1,0.2732 N=C1OC2(CCC12)C#N,0.2723 Cc1ccnn1CC#N,0.2471 CC1(C)OC(=N)C2CC12,0.2782 C1c2c(onc2N)CN1,0.2301 CN1C2C3CC2C13C,0.3022 CC1C(C)C1C(=O)C=O,0.1553 NC1=NCC2OC12C#C,0.2275 O=C1OCCC2NC12,0.2496 CC1C2NC2C1C1CO1,0.307 CC(O)C12NC1C1NC21,0.2582 C(C#N)N=c1[nH]nn[nH]1,0.2061 CC(=O)C1CC1C(N)=O,0.2025 OCC1OCC1C1CO1,0.3099 CC1(CO)CN1CCO,0.3014 CC#CC(C)(O)C1CO1,0.2851 O=C1CC2NCC(=O)C12,0.1825 OC12CC(C=C1)C2C=O,0.2084 NC(=O)C1C2OC(=N)C12,0.2406 CC12CC(C1C#C)C2=O,0.2459 C#CC(CN)(C#N)C#N,0.2592 C1C2C1C1OC3CC2C13,0.3085 CC(C#N)C1(O)CC1C,0.3076 CC12CC1(O)C(=O)C=C2,0.1841 C1C2CCC=CC=CC12,0.2018 c1c([nH]c(=O)o1)CC=O,0.1775 CC1=CC(O)C(=O)NC1,0.2513 CC#CC12CC(C1)C2O,0.2802 CCC(=O)CCCC#C,0.2349 c1c(cn[nH]1)N2CC2,0.2273 CC1=CC(C)(C)C(O)C1,0.2587 C1C2C3C4C5OC13C5N24,0.2618 CCc1[nH]cc(n1)O,0.228 CCCC1COC(=N)O1,0.3094 CCC#CC1NC1C=O,0.2139 C(C=O)C(CO)CO,0.225 COC1C2NC2C1C,0.3017 CCC1CC(C)=CC1O,0.2571 CCC1(CO)C2CCN12,0.3143 CN1C(CO)C1CC#N,0.2644 CCCC(COC)C#C,0.3079 CC1N2C(=N)CC12C#N,0.239 CN=C1C=NOC(N)=N1,0.187 CC(C)(O)C1CCC=C1,0.258 CCC1OC11CC2OC12,0.327 Cn1c(nnc1O)O,0.2706 CC(=O)NC1COC1=O,0.2607 CCOC1CC1C(C)=O,0.2325 CC12CN1C1C(CO)C21,0.2849 CC(C)(C)C(CO)C#N,0.3081 CC1OC1C1=NNC=C1,0.2497 O=CN1C(CC1=O)C#C,0.2201 CCC(O)(COC)C#N,0.312 CC12CC1C1C(O)C21C,0.2737 CC1C2C=CC(CO)C12,0.2443 CC12CC3C1OC3(C)C2,0.3243 N#CCC1CC=CCO1,0.2676 NC1=NC(=[NH2+])[N-]C=C1O,0.1877 C1OC11CNC11COC1,0.2984 CCOc1c[nH]cc1N,0.2321 CC12CC1(C)C(O)C2,0.3139 C#Cc1cc(=O)nc[nH]1,0.1749 CC(C)n1cc(cn1)N,0.2235 C1CC2(CC2)C=C1C#N,0.204 Cc1nc(c(o1)N)OC,0.2109 OC1=CC(=N)N=CN1,0.1919 CC12CC3C(C1)C23C#C,0.259 Cc1c(ncn1C)NC,0.2095 C(c1[nH]c(=O)[nH]n1)O,0.2307 C1CN1C2(COC2)C=O,0.1918 C1CC2C3CC=CC23C1,0.2385 CN=C(C#C)N(C)C=O,0.2033 ON=C1C2CC3CC1N23,0.2242 CCCCc1cnc[nH]1,0.2485 N=C1NCC(=O)C11CO1,0.1887 CN(C)c1c(cn[nH]1)N,0.2198 OC1CC1C1COC1=O,0.2315 CC12CC1NC(=N2)C#N,0.1975 C1NC11CC2(CO2)C=C1,0.225 CC1COC1(C)C1CO1,0.3213 CC1CC1(CCO)C#N,0.3007 CC12CC1COC2=N,0.2811 CC12CC(=O)N1C2C#C,0.2298 OCC(COC=O)C#N,0.2838 CNC12CC1(O)CC2=O,0.2086 CC1(CCC1)OCC#C,0.287 C#CCn1cc[nH]c1=O,0.2293 CC1OC2(CC12C)C#C,0.2442 CC1CC2(C)CC1C2=O,0.2277 N#CC1C2CC1C2=O,0.252 CCCOCC1CCC1,0.3393 CC1=CC(NC1)C#N,0.2381 NC(=O)C(OC=N)C=O,0.2104 CC#CCC#CCC=O,0.2174 CCC1(CO1)C1(C)CN1,0.3213 CC#CCC1CC(C)O1,0.2928 C1OC2C3NC4C3NC124,0.27 CNC(=O)C1CC(O)C1,0.2553 OC12CC(C1)C1CC21,0.3218 CN(CC1CN1)C(C)=O,0.2681 CC1OC1C1CC1C#C,0.2887 CCC1OC(=O)C=C1N,0.2226 CC(O)C(C=O)C(C)O,0.216 CC#CC(=NO)COC,0.2073 N=C1N=NON=C1C#N,0.1721 COCC(=O)C1CO1,0.2097 ON=C1CC(C1)C1CO1,0.2504 OCC(O)C(CO)CO,0.2987 O=C1C=CC2CC12C#N,0.1882 CCC12CC(N1)C2=NO,0.2641 CC1CC2C=CC1C=C2,0.238 CCC1OC2(CC2)C1O,0.2969 N=C1OCC2=C1C=NO2,0.2245 c1c(n2c(n1)[nH]nn2)N,0.1903 CC12CCC1(CO2)C=O,0.2126 Cc1c(c(no1)N)OC,0.2391 OC1CC1C1CCC1O,0.3176 O=C1CC2CC2N=CO1,0.2336 CC12OC(=N)C3CC1C23,0.2692 NC1(CNCC=C1)C#N,0.2239 c1c(n[nH]n1)C=O,0.198 CCC(NC=[NH2+])C([O-])=O,0.2574 C1OC2C3COCC1C23,0.3005 c1c(nco1)NC=N,0.214 O=C1COCC2(CN2)C1,0.213 CC1(CN1)C1=COC=N1,0.2372 CCC1NC1(C)C(C)O,0.3072 O=CC12C3C1C1CC3C21,0.2176 CCC1OCCC1C,0.3218 OCC1(C#N)C2COC12,0.2799 CC1CC2(C1)C1COC21,0.3046 CC(O)C#CCNC=O,0.2718 CN=C1C(=O)CC=CN1,0.1588 OC12C3C1N1CC2(O)C31,0.2694 CC1(COC(=O)N1)C,0.3136 CC1=CC(C)(CC1)C#N,0.2553 C(=N)N(C=N)C(=N)C#N,0.1944 CN1C=CN(C=O)C1=N,0.1697 CC1NC11CC(O)C1,0.3118 OC1C2C3C1C=CC23O,0.2317 CN1C(=O)C2(C)CC12C,0.2457 OC1=CNC=NC1=N,0.1891 CCC1(C)CCC=C1,0.2625 CC(C=O)C1=NOC=C1,0.2187 CCc1ncc(o1)OC,0.2292 CC(O)C1OCC1C=O,0.2239 CCN(C)C1COC1=N,0.2392 CC1CC23CC4N2CC134,0.2538 O=CN1C2CC1C2C#C,0.2508 O=CC1C2C3OC2C13,0.219 CC12CN1C=NC2C#C,0.2437 O=C1CC2NC11CNC21,0.2205 CC1(O)CC1C(N)C#N,0.2828 CC1=C(C#C)C2NC2C1,0.1995 CC1(CN=C(N)O1)C#C,0.2522 CC12CCC=C1CC2O,0.2408 CC(C=O)(C#N)C(N)=O,0.217 O=C1CNC2CC12C#C,0.1962 OC1CNC11CCC1=O,0.1985 NC(=O)CC1CC(=N)O1,0.262 CC12OCC1(O)CC=C2,0.2507 C1c2c(non2)N=CO1,0.2075 CCC12CC(O)C1N2,0.3144 CCC1(C)OCC1(C)C,0.3139 CCOC1(C)CC1OC,0.3174 [NH3+][C-]1C=CC2=C1N=NO2,0.154 C1CC=C(C1)CN2CC2,0.2552 c1c([nH]nc1N)CCO,0.2318 C1CCNC(=O)NC1,0.2949 CC(C)C(O)CCC#N,0.3215 CCOC(C)CC1CO1,0.3302 C1OC2C3C4COC3C124,0.2975 COCC(C)CCC#C,0.312 CCCN1CC1COC,0.2971 CC1OC1(C=O)C(N)=O,0.1983 Cc1c[nH]c(c1C#N)N,0.2104 C1C2OC1C13CN(C1)C23,0.2761 CCOC1C2CC=CC12,0.2417 OCC12CN1C1(CC1)C2,0.2979 CC(=O)c1conc1N,0.1808 CCN1CC(C)C1C=O,0.196 CC(C)(CO)C#C,0.3127 c1cnc(cc1N)C#N,0.1956 OC1CN2C1=NCC2=O,0.2252 CC1=CCC2OC12CO,0.2455 C1C2CCCOCC12,0.3282 O=C1C2C3OC4C3C1C24,0.2309 CC12CC=C3C4C1N4C23,0.1605 CCC(C)C(C#N)C#N,0.3241 CC1OC2C1C2(O)C#N,0.2627 CC12CC(O)C3CC1C23,0.3218 COCC12CC1OCC2,0.3122 CC1C2CC(C2)OC1=O,0.268 CC1(C)OC(C=O)C=C1,0.2028 CC(=O)C1C2NC1C2=O,0.2261 CNC1C(C)NC1C#N,0.248 CC1C2NC(CO)=NC12,0.2384 O=CCC1CN1C=O,0.2191 COCC(=O)OC(C)=N,0.2583 OC12CC(C1)CC21CC1,0.3181 c1c2c([nH]n1)nc[nH]2,0.2184 CN=C1C=NN(C)C=N1,0.1733 CC(O)(CCC#C)C#N,0.2828 CC12CC3CC1OC3O2,0.3464 CC(C)(C)C1CC1C=O,0.2261 COc1cnccc1O,0.2217 C1CCC2(C1)CCCC2,0.3628 C1C2C3C4C5CC14C2N35,0.283 C(C(=O)N)C(=O)NC=O,0.2064 CC1C2C3CN(C23)C1=O,0.2295 COCC12NC1CC2C,0.2955 CC1CC2C(O1)C2(C)C,0.3103 COC(C)CC(C)C#N,0.3075 CN1C(=O)CN=C1N,0.2336 OC1CC11CN2CC12,0.2965 CC(OCC#N)C#C,0.2734 Cn1ccc(n1)OC=O,0.2411 c1coc2c1C(=O)C=C2,0.1258 CC1C2C3C(C#C)C1N23,0.2857 CCCC1CCN=CO1,0.2732 COC(C)C1C(O)C1O,0.2923 CCC12C3C4C(C13)N24,0.281 CCC(C)C(O)C(N)=O,0.2756 CC1C2CC2N1C(C)=O,0.2586 OCC(CO)C(O)C#C,0.2721 C1OC23C4CC2OC13C4,0.2748 CC1CC(C#N)C1=NO,0.2456 CCCN=C(C(=O)N)N,0.2136 CC1=C(N)C(=N)OC=N1,0.1639 CCC1N2CCC12CO,0.3094 C(c1c(c(no1)N)N)O,0.2134 CNCC(C=O)C#N,0.1874 OC1CC1(O)CN1CC1,0.3059 CC(C)OC(C)(C)C#C,0.2928 C#CC1C2C3C4C2C1N34,0.2769 CC(=NO)C(C)(C)CO,0.2529 CC1(C)NC1C(=O)CO,0.2238 CCCC1CC1CC=O,0.2256 CC1(CNC1=O)OC=O,0.264 OCC1N=COC1C#N,0.255 CC1CC(C)C1C1CO1,0.3353 CC(O)C(=O)C1CC1O,0.216 CNC1=CC(=O)C2CC12,0.1954 Cc1cc(cnc1F)F,0.2125 c1nc(no1)C#CC#N,0.2004 CC1(CN1CC#N)C,0.2755 CNC(=O)C(C)C#N,0.278 c1c-2cncc2nc[nH]1,0.1375 OC(C#N)C12CC1CC2,0.2845 OC12CC3(OC1C23)C#N,0.238 C1Oc2c(oc(n2)N)O1,0.1928 CCC1CC2NC2C1O,0.3058 C#CC1=CC(=O)CNC1,0.1589 OC1C2N3CC1C23C=O,0.2182 C#CC1C2OC1C21CC1,0.2798 C1C(=O)CC1(C=O)C=O,0.2168 CN1C=NC(=N)N=C1F,0.1995 CC1CC(=O)C1CCO,0.2196 CCC#CCCC1CO1,0.2996 Cn1c(cccc1=O)O,0.1794 CC1=NC=C(N)C(=N)O1,0.1662 C1C(N=CN1)(C=O)C=O,0.1732 C1C2CCOC3CN1C23,0.274 CC(C)C(=O)N,0.278 CC12CC1(CO2)C#C,0.2604 CC1C2CC2(C)NC1=O,0.2618 CC1C2C3CC1C(C)N23,0.3215 CC1C2OC1(C)C2(C)C,0.316 COCC(C)C#N,0.3096 CC(NC(=O)C=O)C#C,0.1745 OCC1CC2(CN12)C=O,0.2141 CC1=CC(F)=NOC1=N,0.1677 CC(C)C1CC(CO)O1,0.313 CC12OC1C1C2OC1=O,0.2683 CN1C=NC(=N)C(C)=C1,0.1897 C1CC1OCCC#N,0.2959 CCc1c(nnn1C)O,0.2209 C1CC(C1)C(F)(F)F,0.3994 CC(CC1OC1C)C=O,0.2295 CCN1C2COC2C1=O,0.2489 c1nnn(n1)CCO,0.2625 O=C1N2CC2CC2CN12,0.2655 O=C1NC2CN3CC3C12,0.2521 CC1C2CC(C)(O2)C1O,0.3221 COC1(CC1)C1NC1,0.3199 CC(C)C1CC(C)C1=O,0.2175 C1CC23C1(CC2)CC3,0.293 CC1OC1C1(CC1)C#C,0.2881 COC(=O)C(=O)NC=N,0.1854 COCC1(CC1O)C=O,0.2267 C(CCC#N)CCO,0.3089 CCC1COC(=O)OC1,0.3193 C(CC(F)(F)F)C(=O)N,0.2814 CC(CO)OCCC#C,0.3095 CC1C2C3CC3C1C2C,0.334 C1CC(=CCC=C1)C#N,0.214 OCC1CC2(O)CC1C2,0.3264 C#CC12CC3C1C=CC23,0.2187 CC(C#C)(C#C)OC=O,0.2634 CNc1c(cno1)C=O,0.1955 O=CC1OC2COC1C2,0.2198 c1c[nH]c2c1COC2=O,0.2124 c1c(oc(=O)n1C=O)O,0.1913 CC1=C(CC=CCC1)C,0.2401 O=C1NC=NC2CC2O1,0.2359 OC1C2C1C(=O)NC2=N,0.2377 c1c2c(co1)OC=NC2,0.2267 CC1(NCC1O)C#N,0.2768 CC12C3CC(CC1=O)C23,0.2227 CC1(C=O)C2CC1O2,0.207 CC12CCC1(O)C1CC21,0.3112 CC(C)c1cnc([nH]1)O,0.2465 C1C2OC3CCCC2C13,0.3154 CC12COC(C1)C(=N)O2,0.2728 NC1=CC=C(F)OC1=N,0.1588 O=C1C2CCC(O2)C1=O,0.1381 NC1=[NH+]CC(C1)C([O-])=O,0.2644 c1c(oc(=O)o1)N=CN,0.1906 NC(=O)C1N=CN2CC12,0.2258 OC1C2NC(=O)C12C=O,0.2116 O=CC1C2C3C2N2C3C12,0.2137 C#CC1CCCOCC1,0.3005 CC1OC11C=CC2CC12,0.2384 CCCN1CC12COC2,0.3038 CC1C2OCOC(=N)C12,0.2684 CC(C)(CC=O)OC,0.2231 C1C2CN1CCOC=N2,0.2077 Cc1[nH]c(c(n1)O)C#N,0.2012 CCOc1cc(no1)C,0.2405 O=CCCC1(CO1)C=O,0.204 C1CC(C1)COCCO,0.3409 N#CC1NCC=CC=C1,0.1894 O=CN1CC2CCC2C1,0.2687 CC(=O)OCCOC,0.2798 O=CC(=O)C1COCO1,0.1467 O=CC1(C#N)C2CCN12,0.2072 CCOC(C)C(=O)CO,0.2342 CCOc1c[nH]cc1C,0.2424 C#CC1CCC1N1CC1,0.2806 CC(O)(C=O)C1CC1,0.2152 COCC12CC1N=CO2,0.2592 OC1(CC1)C1CCCO1,0.3198 N=C1OCC2=C1N=NO2,0.1681 CC(CC#N)OCC#C,0.2884 c1c[nH]c(c1C=O)C#N,0.1833 COCCC1CCC1,0.3373 CC(O)C12CC(O)C1N2,0.3121 CN=C1C(=NO)C=CN1,0.1442 c1c(non1)CO,0.2448 CCC1CC2(CN2)C=C1,0.2438 COC1C(C)CC1C=O,0.2202 C1CC1OC1OCC=C1,0.2588 COC1CC2(OC12)C#N,0.2658 CC1COC1=NCC=O,0.2241 O=COCC12CN(C1)C2,0.242 CCC1(C)C2CCC12C,0.3219 OC1CNCC1=O,0.2002 OC1COCC1C=O,0.2237 CN1C(C#N)C(N)C1=N,0.2492 Cc1ccn(c1C=O)C,0.1827 OC1CCC2CC1(O)C2,0.3082 CC1NC2CC2(O)C1=O,0.1907 N=C1OC2COCCC12,0.2802 c1nc2n(n1)CC(=O)O2,0.2214 CCC(OC(C)=N)C=O,0.2266 Cc1cc(c(=O)[nH]c1)N,0.1688 O=C1C2N3CC1C23C#N,0.2234 C(CO)C=O,0.225 C(CC(=N)NC=O)C#N,0.233 OC1CC2CC11OCC21,0.2863 CC1CC2CC(C)C1C2,0.3472 CN=c1oc(no1)N,0.2523 CC1CNC(=O)N1,0.3078 N#CC1C2CCC1C2=O,0.2296 C1CC2C1C1CCC21,0.3211 OCC12CC=CC1N2,0.2351 CC#CC1CC2COC12,0.2811 OCC1CCC(O1)C#N,0.2808 C1CC2COCC(C1)O2,0.3055 C1CC23C4OC12C1C4N31,0.2725 CC#Cc1c[nH]c(n1)C,0.2154 CC(CC[NH3+])CC([O-])=O,0.2744 N#CC12C3C4C1N4C23,0.2397 CN=C1NC(C)C(=O)N1,0.2236 CC(C)c1nnn(n1)C,0.2565 CC#CC1C2CC1C2,0.2892 O=C1CC2(C1)C1CC2O1,0.2141 CC12CC3C1OCCN23,0.302 N#CC#CC1CCO1,0.2209 CC#CC12OCC1C2C,0.2433 CC1CC2C3OC3C12O,0.3118 C#CCC(=O)C1(CC1)O,0.2238 C1C(=NO)CN1CC=O,0.2058 C1OCC2OC2C=C1,0.2399 CC1C2CC2C(O)C1C,0.3157 N#CC12OC3CC1C2O3,0.267 CC1C=CC2(C)C(O)C12,0.2279 CCOc1cc[nH]c1N,0.231 CC12CC3(CCC3)C1N2,0.3287 CC1CC11CN2CC12,0.3055 CC1N=C(C)OC1CO,0.2652 Cc1c(c(on1)C=O)N,0.1693 O=C1NCC2CC12C#C,0.2612 CC12C3C1C1(C)CC3C21,0.3239 CC(C)C12CCC1C2C,0.3192 N=C1CC=CC(O1)C=O,0.2069 CC1CC(C)C(O1)C#N,0.2906 C1C2OC11C3NC3CC21,0.2869 CCN(C=O)C(C)C#N,0.2719 c1cocc1NC=O,0.2155 OC1CC(CC1O)C#C,0.3013 CC1C(C)C1C=O,0.2255 OC(CC=O)C(O)C#N,0.2289 C#Cc1cnnn1C=O,0.184 COC12CC1(C)CC2O,0.3218 CC(=O)C12CC(C1)O2,0.223 OCC1(OC1C=O)C=O,0.1979 Cc1c[nH]c(c1CO)C,0.2331 CNC(=O)CC(=O)OC,0.2418 CC1OC1C1C2CC1C2,0.3501 CC(C)C(O)C1CC1O,0.3114 OC1C2NC(C=C2)C1=O,0.1925 C1C2C3OC22C=CC1C32,0.2246 CC1CC1C1(O)COC1,0.3097 CC(O)CC1C(C)C1O,0.3122 c1c([nH]cn1)NC=O,0.2053 CC1(CNC=[NH+]1)C([O-])=O,0.2388 OC12C3C1C1=CC3C2=C1,0.1523 COCCC(C)(O)CO,0.3049 CC#CC1CNCC1=O,0.1974 C1CC1CN2CC2,0.322 CCn1c(cnc1O)N,0.2446 COc1c[nH]nc1OC,0.2303 CC1(O)CC(=O)CC1O,0.222 C#CC1=CC(=O)CC1=O,0.1485 C1CC2CCC1OCO2,0.3167 CC1COC(OC1)C#N,0.299 OCC(=O)C(O)CC#C,0.2171 O=CC#CC(=O)C1CN1,0.1853 CC1(O)C(O)C1C(N)=O,0.2475 O=C1C=CC(C#C)C1=O,0.137 CC1C(N2CC2)C1(C)O,0.3118 OC12CC3(C1)OC=NC23,0.258 CC1C2C3OC2C13C#C,0.2654 C(=Nc1nnon1)N,0.1938 CN1CC1CC1CCC1,0.3016 CC1C(C#C)C1(C)C#N,0.2693 CCc1cc([nH]n1)O,0.258 CCC(O)CC(=N)OC,0.2782 C(#N)C(=O)C(=N)N,0.1654 OC1C2CC3OC1OC23,0.3304 O=COC1CNCCO1,0.2329 N=C1OC=NC(=O)C=N1,0.1754 COCC1C(O)C1C#N,0.2831 CC1(C)C2CC(C=O)N12,0.2058 COC12CC(C1)C21CC1,0.3439 O1C=NC2=C1ON=N2,0.148 CC1OCC11OC1C#N,0.2557 OC1COC2(CC12)C#C,0.26 N=C1NC(=NO1)C1CC1,0.2245 CC(C)NC(=O)C1CN1,0.2707 Cc1c[nH]c(n1)OC,0.251 CN=C1C(C)CN1C=O,0.2251 CC1=CCOCC1(C)O,0.2565 C#CC1CC2=NCCN12,0.2446 Cc1cc(on1)CC#N,0.2482 O=C1OCC(O1)C1CN1,0.2954 OC1CC2CCOC12,0.3043 O=C1OCC2CC12,0.2731 C1C2CC3C4C1C2N34,0.3021 C1CC11OC2=NCCC12,0.2611 CN(CC=O)CC#C,0.2049 CN=C1OC2C3CC3C12,0.2726 O=CCC1OC11COC1,0.2233 CCCNc1ccco1,0.2186 CC([NH3+])C1=CC(=O)O[CH-]1,0.2283 CC1(CN1)C1(C)CO1,0.316 CC12OC1CC2C1CO1,0.3256 N#CCC1CC2CN2C1,0.2682 O=CN1C2CC1C2C#N,0.2482 OC1C2CCCC12O,0.3094 NC(=O)C12CC(N1)C2=O,0.2371 c1c(c(cnc1F)O)O,0.2138 CCC1CC1N(C)C=O,0.2643 CC1CC1C1=CN=CN1,0.2436 OC1C2CC3OC3C12O,0.2954 O1C2C1C1C3C4C2C1N34,0.3195 CC(C#N)N1C=CN=N1,0.2542 CC1CNC2=C1C=CN2,0.2246 CCc1nc(co1)OC,0.2158 CCC12NC3(C)C1OC23,0.2932 N=COC1(CNC1)C#N,0.2479 Cc1ccccc(=O)n1,0.1692 CC1(OC(=O)C=C1)C#C,0.2216 O=C1CNC1C#CC#C,0.1995 CC12C3C4C5C(C1N34)N25,0.2623 C#CC#CC1=CCOC1,0.1752 C1OC2=NC3C4NC13C24,0.1573 CC(C=O)C1(C)COC1,0.2125 CC1COCOC11CC1,0.3334 CC1(C)CC(O)CCO1,0.3236 OCC1OC(C=O)C=C1,0.2001 CNC(=N)C(=O)C=O,0.1165 CC(O)C1NC11COC1,0.3021 OC1CC2CCC1C2=O,0.2232 CC(C=O)C(=O)CC=O,0.2141 CC(C(O)C#N)N1CC1,0.2783 CC1C2C1C1(C)NC21C,0.2746 ON=C1CN2CC(O)C12,0.218 CC1CC11CC=CC1,0.2639 CC1(OCCCO1)C#C,0.298 COCCCC(=O)CO,0.2356 CN(C)c1c[nH]cc1N,0.2304 CCOCC(CO)CO,0.3142 CC1OC1CN1CC1,0.3247 C1COC(=O)OC=N1,0.258 O=CC1NC(=O)NC=C1,0.1829 C#CC1CCC11CN1,0.2789 CN1CC2(O)CC2C1=O,0.2621 CC1C2CC1(O)C2(C)C,0.3253 CCC1CN2N=CN=C12,0.2728 CC1(O)CC(=O)C1C#C,0.2137 Cn1c2c(nn1)ocn2,0.21 CC12CC(CC1)C2C#N,0.3225 CC1N2C3CC2(C3)C1=O,0.1911 OC1=NC(=N)C=CN1,0.1987 CCCOC(=O)CN,0.2622 CCC(C)C(O)CC=O,0.2316 CC1(C)C2(O)COC12C,0.2782 CCC1(O)C(O)C1C=O,0.2197 OC1CC1C1(CO1)C=O,0.1986 OC1=C2CCN2C(=O)N1,0.223 CC#CC1C2N1CC2=O,0.2121 CCNC1(CNC1)C#N,0.263 CC1CC(C1)C1CC1O,0.3303 CC1C(C)C2OCOC12,0.3118 CC1C(O)C=CC1(C)O,0.2552 OCC12CC3C(C1)C3C2,0.3298 CC1(CN=CO1)C1CC1,0.2729 O=C1OCOC2CNC12,0.2362 CNC(=O)C1NC1C,0.2644 CCNc1ccn(n1)C,0.2206 OC(CC1CC1)C=O,0.2274 CCC1(O)C(C)CC1=O,0.2175 CC1C2CCC(=O)CC12,0.224 CC1=C(CC(=O)N1)C#C,0.1825 ON=C1CC2OC12C#C,0.2363 CCc1ccc2n1CC2,0.2416 C#CC1=CC=CCOC1,0.1603 N=C1CC2N=COC2O1,0.2697 C#CC1CCC1C#N,0.289 CCOC12CC1(O)CC2,0.2998 CC12OC1CC(=O)C=C2,0.1819 C1C2CC34CC1C23CO4,0.2876 OC1C2N3CC3C12C=O,0.2051 CC(CO)(CO)OC=N,0.277 CNC1(CCC1=O)C#N,0.2033 c1c(nc(nc1F)F)N,0.2323 c1c2c(on1)OCOC2,0.233 CC12C3CC1N=COC23,0.2597 OC1C2C3C2C1C3C=O,0.226 Cc1cc2c([nH]1)CCN2,0.2079 OC12CC3OC1C23C#C,0.251 NC1=[NH+]C(=N)C(F)=N[N-]1,0.1813 c1conc1C2(CC2)O,0.2425 CCC(O)CC(F)(F)F,0.3374 CC1CN1CC#CCO,0.256 N=C1NC=NC1CC=O,0.2179 O=CC1CC2OC(=O)C12,0.2268 Cc1c2c(on1)C=CC2,0.1883 CC1CC2(C)CC12C=O,0.2173 CC#Cc1c(nc[nH]1)C,0.203 CC1CC2(CC2(C)O)O1,0.2966 CC1C(CC=O)C1(C)C,0.2245 N=C(OC=O)C1CCC1,0.2455 NC(=O)C1C2CC2C1O,0.2663 COCC1OCC2CC12,0.3359 CCC(CC)CC1CC1,0.3595 CC1OC2COC1(C)C2,0.3189 OC12C3OCC1COC23,0.2879 CCNc1c(nco1)N,0.2127 CC1C2NC2(C)C1CO,0.289 COC12CCC1OCC2,0.3181 CC(CO)CC1CO1,0.3395 C1C2C3C4C1C1C2C3N41,0.2704 c1c(nc(cn1)N)C#N,0.1712 CCC12CC(CO1)C2=O,0.2067 CC1(CC=CCC1=O)C,0.2237 [NH3+]CCCOCC([O-])=O,0.2457 COC1C=CC(=O)C1C,0.1883 Cc1c(cc[nH]c1=O)F,0.1854 CCCC(C)CC=O,0.228 CC12CC(=O)C1OCO2,0.1932 CCC1(O)CC2NC12C,0.2904 OCC(C#N)C1CN1,0.2769 C#CC1C2C3CC2C13,0.3009 CN1C2CC1C2OC=O,0.2213 CN=C(c1cocn1)N,0.2041 CC(C#N)C1COC1=O,0.279 C1C2C3CC1COC23,0.2986 CCC12CCC1C1CC21,0.3145 CC1CC(C=O)C1(C)O,0.2192 c1cc(oc1CCO)N,0.218 Cc1c[nH]cc(c1=O)O,0.1895 C1OC1C#CC1CO1,0.2561 C1C2C3OCC(C=C3)N12,0.2229 CC(C)(C)C1CCCO1,0.3147 CC1OCCCC(=O)O1,0.2721 CC1CC2CC12C#N,0.2875 C1C2CC1N=COC2,0.2687 CC1CC([NH3+])(C1)C([O-])=O,0.2694 CC1C(CO)C2CC12C,0.3176 N=C1OC(=O)C=C1,0.1939 CC1OC1C(CO)C#C,0.2982 CC1CC2C1C1CC21O,0.3109 CC1OC2C3CC3C2=C1,0.2316 CC(CNC=O)C1CC1,0.2794 OC12CC1C(C=C2)C#C,0.2467 CCC12CC(C1)(C2)OC,0.3335 CN=C(C=O)NC1CC1,0.1609 c1cncc2c1non2,0.1638 CCC1N2CC2C11CC1,0.3066 CC1=C(C(=O)OC1)C#C,0.197 c1c2c(coc2[nH]n1)N,0.2159 CC1CN2C(C3CO3)C12,0.3052 C1OC1C12CN(C1)C2,0.3143 C#CC12CC3C(O1)C3O2,0.2709 CC1C2OC2C1(O)C=O,0.2116 OCC1(CCO1)C=O,0.21 NC(=O)C12CC1C1NC21,0.237 CC1OCC1COC=N,0.2686 CC12OC3C1CC23C#N,0.2661 N#CC1NCCN2CC12,0.2539 C1CCC(CC1)(C=O)O,0.2307 NC1=CC(=N)OC1C#C,0.2127 CC1NC(=O)CC=C1,0.2499 CCCC(=O)CC(C)O,0.2283 O=C1CC2(CC1O2)C#N,0.2169 c1c(nnnn1)C2CC2,0.1683 CC(C)(C)NC(=O)C#C,0.232 O=C1NC2CN3C2C13,0.2474 c1cc([nH]c1)CC(=O)N,0.2119 CC1OC(=O)C(C)=C1C,0.2315 C(CC(=O)C#N)C=O,0.1725 Cc1c(cco1)CO,0.2346 CC#CCc1nc[nH]n1,0.2488 CC1(C=CC2CN12)C#N,0.2297 CC(=O)c1cocn1,0.2034 OCC1CC(CC#N)O1,0.2878 Cn1ccc2c1[nH]cc2,0.2242 C#Cc1conc1CO,0.2181 CC1CC2(CC2O)C1=O,0.2136 CC1(CCC1)OC,0.3257 O=C1OC2CCC1OC2,0.2561 CC12CC(O)CC1CO2,0.3079 OCC12OC(=O)C1C2O,0.2737 CCCC12COC1C2C,0.3023 C1CC(=O)OC1,0.2795 CC1CC2=COC=C2O1,0.2266 CC12OC(C3NC13)C2=O,0.2349 CC1(CC(C1)COC)C,0.3316 CC1C2C(=O)CCC12C,0.2229 C1NC11C2NC2C2OC12,0.2978 C1CC11C2CC3OC2C13,0.3292 C#Cc1c(nco1)CO,0.2009 N1C=CC=CC=CN=C1,0.1803 Cc1cc(=O)onc1C,0.1839 CC#CC(C)(C)C,0.3086 OCC(C#N)C1CC1,0.3071 CC1CC(C)(O1)C(N)=O,0.265 CC(C)CC1OCC1=O,0.2243 CCC1C(C#CC)N1C,0.2552 OC1COC1CCC#N,0.3012 O=C1OC=NCC11CO1,0.2316 CN1CC(O)COC1=O,0.2908 C1CN1C1C2CC1C2,0.3161 CCNc1ccc[nH]1,0.2389 CC1CC=C(C=O)C1=O,0.1616 CC12C3C1N1C3C21C#C,0.2297 CC1OC1(C)C#C,0.2868 CC1N2C=NCC12CO,0.2395 CC12CC1(O)C(N2)C#C,0.2517 OC1C23CCOC12CO3,0.2669 CCC(C)N1CC1CO,0.279 COc1cc(c[nH]1)O,0.2372 CC(O)C1CC1CO,0.307 c1c2n(nn1)C(=O)CC2,0.2116 CC1CC2(CO2)CC1=O,0.2182 CN=C1CCC(O1)C=O,0.2096 CN1CC(OC=O)C1=O,0.2601 CN(C=N)C(=O)CO,0.2353 OC(COCC#C)C#N,0.2795 c1([nH]nc(n1)N(=O)=O)O,0.1963 C#CC(=O)CC#CCO,0.1891 CN=c1n(cco1)C=O,0.1874 CC1(CC1CO)C#N,0.3123 Cn1cc(c(n1)N)OC,0.2174 c1c(nc(c(n1)F)N)O,0.1792 OCC12CC3(O)C(O1)C23,0.2851 OC1CC2CCC2=C1,0.2457 C1CC1(C#N)OCC=O,0.2287 CC1(O)CC(O)C(O)C1,0.2935 c1cnc(oc1=O)F,0.1994 CC12CCC1C2(O)C#N,0.2855 O=C1COC2CNC=C12,0.1761 CC1C2COC=NC12,0.2537 CCC12C3OC(C13)C2O,0.3082 CC#CC(O)C1(C)CN1,0.2657 CCC(C)CC1(C)CO1,0.3404 CC1(O)CC(=O)NC=C1,0.211 C(C(C#N)(C#N)O)N,0.2362 CC1(O)C2CCC(O)C12,0.3098 COC(C)CC(C)OC,0.3211 C#CCC1=CC(=O)NC1,0.2143 CC1CNC(=O)C=CN1,0.2038 OC1C2CC2C1C#C,0.2919 CC#CCC(O)CC=O,0.2201 COC1(CC2CC12)C#N,0.2906 CC12C3CN(C13)C21CC1,0.3082 CNC(=O)CCC#C,0.2752 CC1NC1C1=CC=NO1,0.2298 N=C1OCOCC=C1,0.2136 N=C1OCC2CCOC12,0.2692 CC(C)C(C)C1CN1C,0.302 CC1OC(=O)C11CCO1,0.2428 CC#CC1(CO1)C1CC1,0.2782 C1CC11C2CC3CC1N23,0.2867 c1(nc(nc(n1)F)F)N,0.2449 O=CC1CCC=C1C=O,0.1775 C#CC1OCOC1C#C,0.2776 OC1C=CC(=N)OC1=O,0.2135 C1COC(=O)C(=N1)N,0.1984 OC1C2CC3OC3C12,0.3025 C1CC2(CC2)C=C1C=O,0.1883 O=C1CC2NC3C2NC13,0.2035 C1C=CC=CCO1,0.1898 C#CC1OCCC2OC12,0.2885 CCCCc1ncno1,0.2619 CCN(CC)C(=O)C#N,0.2179 CC#CC1NC1CC#N,0.2741 NC1=C(N=NO1)C1CO1,0.2048 c1c[nH]nc-2nccc12,0.1515 COC(=O)C(C)N1CC1,0.2485 c1cc(nc(c1O)F)F,0.2015 c1c(c(c([nH]1)CO)O)O,0.2253 OCC12CN1C1CC1C2,0.2952 OC1C2CC=CC1C2O,0.2434 CC1C2CC2CC1=NO,0.2516 CC1C(O)C11CN=CO1,0.2586 CC1C(CO)C1N1CC1,0.3045 COC1C2NC2CC1O,0.3023 C(CC=O)CC#N,0.2278 CNc1c(c[nH]n1)CO,0.2317 CC(C)CCC(O)C#C,0.2979 C1CC1CNC=O,0.281 COC1=NC(=N)N=CO1,0.2133 CC12CCCC1CCC2,0.3673 OC1C=C(NC1=O)C=O,0.1654 CC(O)C1(C)CC1O,0.3207 CC(O)CC(=O)C1CC1,0.2266 CCN1C2C3NC2C13,0.2831 CC1CC(=O)C(C1)=NO,0.1663 CC(C)C1(C)CC1(C)C,0.3248 CC12OCOC1C2C=O,0.2173 CC1NC2(CC12C)C#N,0.2402 CC(O)C12OC1CC2O,0.3229 CC1=C(CCC1)C(=O)N,0.2163 C1Cc2c(n[nH]n2)C=C1,0.2011 OC1CC1(C=O)C1CC1,0.2034 NC(=O)CC1CC1O,0.2788 CC1C2C(C)C=CC12C,0.242 C1CC12C(=O)C=CCN2,0.1701 CN(C)C(CN)C#N,0.2656 OC1C2C3C1C2N3C=O,0.2516 C#CCC1NC1CC#C,0.2973 OC1CCC(=O)OC1,0.2707 CC12CC1C1NC1CO2,0.2829 O=C1CNC11CCC=C1,0.2049 CN=C1OC(C)C11CO1,0.2607 NC(=O)C12CC1C(O)C2,0.2634 C1C2CC=CC12,0.2495 O=COCC12CC(C1)C2,0.2857 C#CCC12CC3CC1C23,0.3006 CCCN=COC(=O)C,0.2422 NC1=NCC(=NO)C1O,0.2234 CC12CC3C4C3C1(O)C24,0.2889 CC12NC1C(C=C2)C#N,0.2417 C#CC12CC3OC(C1)C23,0.2807 C1C(COC(=O)O1)C=O,0.2211 CCOC(C)C(C)=NO,0.2569 NC1(CCC=CC1)C#N,0.2667 Cc1cc(=O)[nH]cn1,0.1989 COC1CC(O)C1C#N,0.2938 C#CC1C2CCOC12,0.27 CC1C2OCC12C(N)=O,0.2612 CC(=O)NC,0.2805 CC(=O)CC1CCC=C1,0.2248 CC(NC(=N)C#N)C=O,0.1977 N=COC1=NC=NN=N1,0.1657 CC12CC3C1CC23CO,0.3355 C1C2C1C13CCC1C2O3,0.33 OC1CCC2OC2C1,0.3345 C1C2CC1C1=CCCC21,0.2494 OC12C=CC3NC1C23O,0.2157 CCCOCC(=O)C#N,0.1974 CCC1CN=C(O1)C#C,0.2171 COCC1CC(C)C=C1,0.2622 CCCOC1CN2CC12,0.3075 CC12OC1C1N=COC21,0.2699 N#CCC(C#N)N1CC1,0.27 CC(C)(C#CC#N)O,0.2377 c1cc(=O)ncnc1,0.1618 CCc1c(cc(o1)C)O,0.2155 CCCn1c(ncn1)N,0.2497 C1C=CC2CC1N=CO2,0.2475 OC12CC1OCC21CC1,0.2892 c1c(ncc(=O)[nH]1)CO,0.1653 COC(C(C)O)C(N)=O,0.2552 O=C1OC2C1CC21CN1,0.264 CC(=N)OC1CC1(C)C,0.2849 Cn1c(coc1=O)CO,0.2348 CC1C2C3C(O)C3(C)N12,0.2976 OCC1(C#C)C2CCN12,0.2692 C1OC1C12NC1C1CC21,0.2806 CCCN1CCC1C#N,0.2535 N#CC1CC11CCC=C1,0.2414 C1OC1C1=CC=NN1,0.2473 C1C2N1CC1=C2N=NN1,0.2234 CN1CC(C)(O)CC1=O,0.2704 C1C2OC2C2OC1C=C2,0.2538 C[NH+](C)CCCC([O-])=O,0.2712 CCC1(O)CC11COC1,0.3004 CCC1(C)CC2COC12,0.3182 CC12CC(C1)(C2)C#C,0.3032 C1C2N1C1COCC=C21,0.2346 CCC(CN)(NC)C#N,0.2628 OCC1CN1C1CC1O,0.2785 CC(NC=O)C(C)=O,0.2204 OC1=CC=C2C3CC3N12,0.2079 OCC1CCOC(=N)O1,0.2904 CC(C#N)(C#N)C(=N)N,0.2578 CC1C2OC2C11CN1C,0.3087 c1(nc(on1)N)N,0.2447 CC1CCC1(C)OC=O,0.2775 CCC1(C)N2CC1(O)C2,0.3082 CN1CC1C12CC(C1)O2,0.3068 ON=C1CN2CC=CC12,0.2221 OC1CCC1OCC#C,0.2756 CC(=O)NC1=NCCN1,0.2032 C#CC1C2NC2C2OC12,0.2947 CC1C2CC=CCC12C,0.2677 CC1C(C2CC2O)N1C,0.2809 CC1N=COCC1(C)C,0.2722 NC(=O)C1COCCO1,0.2725 OCC1OC2C3NC3C12,0.292 CC1(C)OC(=O)C1O,0.2647 CCCC1=CC(=O)NC1,0.217 CC1(C)C2COC(=O)C12,0.2702 CC1(O)C2CC2OC1=O,0.2629 c1cnn(c1N)CC=O,0.1644 OC1CCC(O)C1,0.3287 COC(CC1CN1)=NC,0.2538 COC1CCOCC=C1,0.25 CC12OCC3C1OC23,0.3106 c1coc(n1)OCC#N,0.2366 OC1CC=C2CCCC12,0.2504 CC(=O)C(C#N)C#N,0.2264 OCCC12CC1C(=O)O2,0.2704 CC1=CC2(NC2C1)C=O,0.2103 CC(C)NC1COC1=O,0.2412 c1c(onn1)N=CN,0.1832 O=C1COCC2OCC12,0.2037 Cc1c(c(c(o1)N)O)N,0.2138 OC1C(=O)N2CC12C#N,0.2279 CC1=NC2CC2(O1)C#C,0.2508 CN1C(=O)CCOC1=O,0.2506 C1CN1CCCC=O,0.2193 CC(=O)N1CC(C1)O,0.2668 CC(C)C(=O)OCCO,0.2745 NC1=NC2CCC2O1,0.2761 CNCc1ncon1,0.2034 CCOC=NC1CCC1,0.2653 CNCC(OC=N)C#N,0.2404 OCC1OC(=N)C1CO,0.2775 CC(=O)CCC(=O)OC,0.2364 CC(C)(C)OC1CCC1,0.3135 CC1OC(=N)CC1=O,0.2167 N1C2C1C1C3C4C3N1C24,0.2929 CC1=CC2CC1(CO)C2,0.2376 N=C1OCC23CCC12N3,0.2463 CC(CO)(CC=O)C#N,0.2252 CCC12CC1CC2CO,0.3199 CC(C)n1cccc1O,0.2408 OC1CC2C=CCOC12,0.2555 CCC(C)C1=CNC=C1,0.2504 C1C2CCC3(CO3)C12,0.3326 COC1(C)CCC(=O)C1,0.2206 CC1C(C)C2(O)CN1C2,0.2903 CC1=NOC(N)=NC1=N,0.1981 CC1C2C1(C)CC2(C)O,0.3141 CC12CC3CC1OCC23,0.3228 OC12C3CC(C13)C2C=O,0.2089 COC1(CC(C)O)CC1,0.316 NC1=NON=C1C1CN1,0.2099 COC1CC2OCOC12,0.3004 OC1CC2C3C4CC13N24,0.3255 CCC(NC=O)C1CN1,0.2573 CC(O)C1OC1(C)C#C,0.2828 C1CC1(CC#N)CC#N,0.3333 C#CCCC1(CN1)C#N,0.2888 N=C1OC2C1C21CCO1,0.2552 N#CC12CCC1NC2,0.257 CC1CC2(C)CCC=C12,0.2443 CNc1ncoc(=O)n1,0.2117 OCC12CC1(O)CCO2,0.2722 CCCCCCC1CO1,0.352 CCOCC(C=O)C#C,0.2219 OCC1OC11CC2OC12,0.326 Cn1ccc2c1ocn2,0.2146 c1c(nc[nH]1)OCCO,0.2298 Cc1nc(c(o1)C=O)O,0.1856 CC1CC(O1)C#CC=O,0.2021 CCC(=O)C=O,0.1571 CC1OC(=N)OCC1=O,0.207 c1c(oc(n1)C=O)N,0.1613 CC1COCC11CN1,0.3158 NC1=C(O)NN=CC1=N,0.172 CC12CC1COC1CC21,0.3222 CC1=CCCCC=C1,0.1929 CC(C)n1ccc(c1)O,0.2318 C#CCN1CC1C#N,0.2665 CC1=NC(CC=O)CO1,0.2225 C1C23CC=CC12C1NC31,0.2087 CCC1(COCO1)C#C,0.2912 CC(C)(COC)NC=O,0.2784 CC1(CO)NC1(C)CO,0.2964 CC1C(CC1=O)C(N)=O,0.2256 CCC1N=COC1C#N,0.2678 Cc1c(oc(n1)OC)C,0.2388 CC1=C(N)C(=N)N=NO1,0.1438 OCCC1CCCC=C1,0.2644 CC1(C)CC1C#CC#N,0.2239 CC12CC(C1)C(O)CO2,0.3059 O=CC1=CC(CC1)C#N,0.1912 c1c(c(ncn1)O)CO,0.229 Cc1cc(c(n1C)O)O,0.2239 Cn1cncnc1=O,0.2025 O=C1CC2C3CC1OC23,0.2082 CC1CN2CC12C=O,0.2035 N=C1NC(NC=O)=NO1,0.1989 c1c2n(nn1)CCC2,0.2561 C1CC11C2CC1N1CC21,0.3222 CC1OC(C)C1C(N)=O,0.2535 CCCC1CC(O1)C=O,0.2124 O=C1C2CC1(N2)C#C,0.2407 CC1=NNC(=N)OC1=O,0.1735 Cc1cc(c[nH]1)N,0.2239 CCC(N)C(=O)NC=O,0.2096 O=CC1CC(CO1)C#N,0.2147 C1OC2CCC=CC12,0.2578 c1cnc(nc1C#N)N,0.1734 OCC1CC=CCC=C1,0.2531 COc1cnc(nn1)F,0.1704 CC12NC1CCCC2O,0.313 C1C2C3CC4(CCC34)N12,0.3012 OCC1=NNC(=N)N=C1,0.1456 O=CCC12CC3C(C1)N23,0.2217 CC1CC(C=C1)C#C,0.2613 CCNC(=O)C=O,0.1753 CC1(CO1)C1NC1C#C,0.2756 CNC(C)(C#N)C(C)O,0.2867 CC1(CC1C=O)C#N,0.2212 [O-]C(=O)C12C[NH2+]CC1N2,0.2525 CCC(CO)CC=O,0.2291 CCC1=CC(=O)NC1=N,0.188 CC1C2CC(C)C12C=O,0.2247 O=C1OC2(CC12)C1CO1,0.2716 CN1CCCN=C1C=O,0.1653 CCOc1c(cco1)O,0.2198 c1cnc([nH]1)CC2CC2,0.2497 NC12C3OC1C(=N)OC23,0.2367 CC(N)(C#N)C#CC#N,0.2238 c1cc2c(nc1)CCO2,0.1981 C(C=O)NC(=O)NC=O,0.222 CN1CC(=O)C2(C)CC12,0.2019 CC1(C)CC2C(C#C)N12,0.2566 CCCC12CC3C(O1)C23,0.3044 OCC1(CC=CC1)C#N,0.2666 CCOc1cnc[nH]1,0.2445 COc1c(ocn1)C#C,0.1846 O=C1CC2N3CC2(C3)C1,0.2027 CC1C2OC11C=CCC21,0.2295 CNC=[NH+]C1=NC=N[N-]1,0.134 O=C1NC2C1CC21CO1,0.2699 CC1C(C)C2C1NC2=O,0.2705 C1C=C2CC3C4OC13C24,0.1654 OC1CC2OC2C(=O)C1,0.2155 C#CC12CC1OC2,0.2644 COC1CC=CC1(C)C,0.2636 CC1C(N1C=[NH2+])C([O-])=O,0.2318 c1cnc([nH]c1=O)C=O,0.1551 C1CN2CC3OC3C2=N1,0.2236 NC(=O)C1OC2CC1C2,0.2656 C#CC#CC(=O)CO,0.1856 CC1CC(=O)N1C=O,0.2193 OC(C=O)C1=CCCC1,0.1998 COCc1conc1N,0.2324 C(COCC#CC=O)O,0.2053 CCC(C)C1=NNC=N1,0.2693 N#CC12CC3C(N1)C23,0.2545 CNC1C(C)C1(N)C#N,0.2638 OC1C2CC3(O)CC3C12,0.303 CC12CCC(O1)C1NC21,0.3066 CC(=O)OCC(=O)C#C,0.2065 CC1(C)CC2(CC12)C#C,0.2712 CC#CC12CN1CC=C2,0.2266 CN(CCNC=O)C=O,0.2582 COC(C)C(C)(O)C#C,0.2871 Cn1c(cnc1CO)O,0.226 CN1C2C3OC2C(=O)C13,0.1971 CC1(O)C2COCC1O2,0.307 CC1C(O)C2OC12C#C,0.2619 CNC1(CC2OC12)C#N,0.2567 CC1(C2CCC12)C(N)=O,0.275 C1NC1C1=NC=NO1,0.241 CC(=O)C1OC1C1CC1,0.2213 CCOC(=O)C1(C)CN1,0.2563 OC1C2C3CC2(C3)C1=O,0.2032 OCC1CC(=N)N1C=O,0.2278 CC1(CO)CC=CCO1,0.2677 CN1CC(=O)NC1=O,0.2472 OC1COC(=N)C=CC1,0.2128 O=CC1CN1CCC#C,0.212 CC12CN1C1C(O)C1C2,0.283 CC1(CC(C1)(C)CO)C,0.322 OC1C2CC1(O)C2C#C,0.2984 CC1(CCC1=O)C#N,0.216 OC1C2CC1N2C=O,0.2522 CC12CC3CC(O1)C2O3,0.3244 CC#CCC(C)CO,0.3006 OC1(CNC1C#C)C#N,0.2502 c1nc(on1)C(=O)C#N,0.187 CCc1c[nH]nc1C=O,0.1981 OC1CN2CC(=O)C12,0.2014 CC1(CC2CO2)CC1O,0.3324 CC1C2CC1COC2,0.3344 C1C2CCC=CCC12,0.26 COC12C3C4C1C4(O)C23,0.2932 CCn1cc(cn1)OC,0.2282 C1CC1(CC=O)C(=O)N,0.2234 O=C1CC2C3OC1OC23,0.2013 OC1=NC(=N)N=C(F)N1,0.2209 CCC1CC(CO)C1,0.338 O=C1C2OC1C1CC2O1,0.2474 CC1C=CC2=C1C=NN2,0.1899 CCC(C)(C)C1CC1O,0.3262 OCC1(O)COCC1=O,0.2107 CC1NC11CCOC1=O,0.263 CN1CC2CC2(O)C1=O,0.263 CC1=CC(CC1)OC=O,0.2541 Cc1ccccn1,0.2276 CC#CCC(=O)C,0.2282 ON=C1CC(=O)CC1O,0.2177 N#CC1C2CC3CC1C23,0.3059 CC1CC2(C)C(CO)C12,0.3157 CC1C=CC2(CN12)C#C,0.2283 COC1C(O)C1OC,0.2863 CN1CC2NC2C(=O)C1,0.2 CCCC1CC2OC2C1,0.3439 C1CC2CN=COC2O1,0.2724 CCC(CO)OCCO,0.3186 OC1(CCCNC1)C#N,0.2443 NC1=CNC(=O)OC1=N,0.1721 C(N1CC1)C12CN(C1)C2,0.3043 CC(=O)C1C2C3CC1N23,0.2171 OCC1=CC=NOC1=N,0.1695 O=CC1(CCC#N)CN1,0.2235 CC1CC2C3CC2(O)C13,0.3337 c1cc(c(nc1)C#N)O,0.1895 CC12NC1(C#N)C1NC21,0.2703 OCC1C=CCC1=NO,0.245 C1C2CC3OCCC1C23,0.3077 C1CC11OCCC2OC12,0.3307 C#CCC1(CC1)C#C,0.2881 CC12C3NC(C1=O)C23O,0.2263 CC1NC1C(O)CCO,0.3143 CC(O)C(OC=O)C=O,0.2191 CC1C(=O)N2CC12C=O,0.1974 C1OC2C1C21CC2OC12,0.2973 N=C1CCOCCO1,0.2768 N=C1OCC2CC3C1N23,0.2548 c1c(nc2n1CCN2)O,0.2258 CCc1ccc(=O)[nH]n1,0.1751 COC(C)=NC1CC1O,0.2453 CC1C2OCCC12C=O,0.2271 O=CC1(CN1)C1CN1,0.2037 O=CC1CC(=O)NC=C1,0.1866 N#CC1=CC2C3CN2C13,0.1756 CC1OC1C1OC1(C)C,0.3324 CN1CC(=O)C1CCO,0.2078 C#CC12C3CN1CCC23,0.2591 CCC1OC2CC3C2C13,0.3218 CC12CN1CC(=O)C2=O,0.1386 C1C=CNC(=O)NC1=O,0.2267 COC1(C)CC1(C)C=O,0.2224 Cn1cc(c(c1)N)C#N,0.1994 OC12CC1NC(=O)NC2,0.2868 C1CC1c2c(onn2)N,0.2079 OC12CN3CC(O)(C1)C23,0.2754 OC12CN3CC(=O)C1C23,0.2059 NC1C2(N)CNC12C#N,0.229 CC12CC1CCC2O,0.3265 c1ncnc(n1)CC=O,0.1985 O=CC1C(C#C)C1C#N,0.2185 COCCC1CC1(C)C,0.3371 COCC(=NO)C#C,0.209 OCC12CC1CC21CC1,0.3079 C(COC(=O)CC=O)O,0.2272 O=CC1CCNC(=O)N1,0.2018 CC([NH3+])C(C)(O)C([O-])=O,0.2752 O=C1NC(=O)C2CCC12,0.236 COC(C=O)C1CCO1,0.2117 CC1=C(OC=N)C=NO1,0.2256 CCC1(O)C2CC1OC2,0.3195 O=COC1CCNC1=O,0.2563 CC1C2OCC1(C)C2C,0.3123 O=CC1NC11CC2CC12,0.2181 C1C2N1CC21CC2NC12,0.3055 CC1OC(C)C(CO)=C1,0.2503 CC1CC2C(C#C)C12,0.2905 CC1C2C1C(=O)N2C,0.2483 C#CC12C3CCC1OC23,0.2625 OCCN1CC2OC2C1,0.3104 NC(=[NH2+])C1=CN=N[N-]1,0.1814 COC1CC2(CC2)CO1,0.3457 CC(=O)C1CC1,0.2339 c1nc(c(o1)C2CC2)O,0.206 c1c(nnnn1)C(=N)N,0.1504 CC1(OCCO1)CCO,0.3321 COC12CC1N(C)C2C,0.2759 OC12CC=CC1C2C=O,0.2092 CC12CC3C(C1)OC23C,0.3148 C1CC11CC2CC2C=C1,0.241 Cc1cn(c(=NC)o1)C,0.2117 CC1(CCC=C1)C#C,0.2611 CC1OC11C(C)OC1=N,0.271 OC1=CNN=CC1=N,0.1709 C1CC1CC(C=O)C=O,0.2016 OCC1COCC1C#N,0.2986 CC1CCC2(C)C(O)C12,0.307 CN1CCCC(=O)C=C1,0.1819 CC1CC(=NO)C2OC12,0.2441 CC1=NC(=N)N=CO1,0.2176 CC1C=C2CCC2C1O,0.2462 CC1(C#N)C2N1CC2=O,0.2149 CC1=CCCC1=O,0.198 C#CCC#CC#CC=O,0.1795 CC1NC1C1=COC=N1,0.2372 C[NH2+]CC1=NON=C1[O-],0.2252 C1C2CC1OCC=CC2,0.2292 CC1OC(=O)NC1=N,0.2672 OCC12CC1C(N2)C#N,0.2702 CC(O)(CC#C)C1CC1,0.3004 OC1(CC=CC1)C#C,0.2683 CC12CC1(OC2=O)C#N,0.2568 CC1C(C)C(C)=CC1=O,0.193 CC1CC2CC(=O)N12,0.2349 c1ccocccnc1,0.1866 C1C2C3C4CCC2C1C34,0.3324 c1c2c(c([nH]1)O)CCN2,0.228 C1CC2CCOCCC12,0.3204 CC(C#N)C1CC1CO,0.3033 CC(C)(C)C1CC2CC12,0.3208 NCC(N)(C#N)C(N)=O,0.2471 CC1OCCC1=NO,0.2487 N#CC1(CC2CO2)CO1,0.2727 OC12CC(C1)(C2)C1CO1,0.3387 CC1C2CC2(C)C2CN12,0.3172 C1C(CC1=O)C#N,0.2238 CC1C=C(C=O)C2OC12,0.1882 c1c(c(c(o1)C#N)N)N,0.1936 CC1CNC(=O)NC1=N,0.2563 CC(=NO)C1CC=CC1,0.2528 C1OC2C3CCCC12O3,0.2738 CC1CCCCOCC1,0.3223 CCCC(O)CC(N)=O,0.2714 C1COCC=C1C(=O)N,0.2183 COC1CC2OCC12C,0.313 O=CN1C2CN3CC3C12,0.2285 OC12C3CC1CCCC23,0.3128 CCn1cnc(n1)C#N,0.2396 CC1CC(NC=O)C1C,0.2778 C1CC23C1C1C2COC31,0.3095 C1CC23OCC(C=C2)C13,0.2455 [NH3+]CCC(C#N)C([O-])=O,0.2604 CC1CC11CCCOC1,0.3247 Cc1c(c[nH]c1C#N)N,0.1862 CCC(=O)C(C)CO,0.2306 CCN1CC1COC,0.2969 CC1C2N1CC=C2CO,0.234 O=C(C1CCO1)N1CC1,0.2322 CC12COC(O1)C(O)C2,0.3174 CC1C2CN2C1C=O,0.2108 C#CCn1cncn1,0.2713 OC1CC=CCCC=C1,0.2469 CCC1OC2C3CC2C13,0.3333 OC12C3CC1C3CC2=O,0.2256 COCC1C2C3OC1C23,0.3062 Cc1c[nH]c(c1C=O)C,0.1921 C1CN1c2c(nn[nH]2)O,0.2232 CC(=O)C(CO)C(=O)C,0.2162 CC1C2C1C(C#C)C2O,0.2877 CC(=O)C1(CO)CC1O,0.2196 Cc1cn(nn1)CC#N,0.2436 N=COC1CCCOC1,0.2722 CN1CC1C(F)(F)F,0.3309 CC12OCC1CC21CO1,0.2981 CC1OCC1C(N)=O,0.2612 CC(=NO)C(O)CC#C,0.2515 CC12OC1CCC21CN1,0.3125 CC(O)C(OC=O)C#N,0.2743 C1C2C1C1CC2C2CC12,0.3465 C1CN=C(C(=O)CN1)N,0.1642 CN1CC1COC(C)=O,0.244 O=C1CNC(CO1)C#N,0.2427 CC(C)C1(C)COC1=N,0.2922 CC1(CNC1C#C)C#N,0.2607 COC1C=CC(C)C1=O,0.215 CC1C2CN2CC1CO,0.2954 CC1OC(=O)C2OC12C,0.2494 CCC1CC2CC(C1)O2,0.31 C1CC2CCC1OC=N2,0.2682 CC(O)C1(C)CN1,0.2967 c1cc[nH]c(=O)c(=O)c1,0.1556 NC1=NCC(=O)C1C#N,0.2085 CCCN1CC=CC1=O,0.2092 C1C(CN1C=O)CCO,0.2664 [NH3+]C(CO)(C#C)C([O-])=O,0.2505 CCOC(C)C(O)C=O,0.2285 OCC#CC1C2CCC12,0.2692 COCC(C)N1CC1C,0.3014 CCCNC(C)(C)C#N,0.274 CC1N2C3CC2C1(C)C3,0.3068 CCC#CCCCO,0.3022 OCC1CC2C3CC2C13,0.3422 Cc1c(cno1)NC=O,0.2142 C1C2OC1C1NC21,0.3114 NC1=NC2CC2OCO1,0.261 N=C1CC2CCC(=O)N12,0.2383 CCC1CC11C2CC1O2,0.3146 C(C(C#N)(C#N)C#N)O,0.2904 c1c[nH]c(c1C#N)C#N,0.1947 CC12CC(C1)N2C(N)=O,0.2741 C1OC1C1=NCCO1,0.2465 CC(O)C1=CCOC1C,0.2408 CC(N)(C#N)C1CN1,0.2781 CC1C2CC=CCC1O2,0.265 CC1OC(=N)C1CC=O,0.2258 c1c(=O)c(con1)C=O,0.1674 C1OC11CC2OC1C=C2,0.2457 OC1(CCN2CC12)C=O,0.1981 COc1c([nH]nc1O)O,0.2523 CC1=CN=C(N)C(=N)O1,0.1614 CN1C2C=CC11COC21,0.2024 CCOc1c(c[nH]n1)N,0.2222 O=C1CCC2C(C#C)C12,0.222 CN(C(=O)CO)C(=N)N,0.2257 CC(C)(CCC=O)OC,0.2302 CC1C2=CCC3C2C13C,0.1783 CC1C2C3OC(=O)C2C13,0.267 CN=C1OCC11CC1C,0.2703 O=CC1C2C3C=CC2C13,0.2017 CC12CC1C(NC2)C#N,0.2739 CC1COCC2(CO2)C1,0.3224 CCC1CC2CCCC12,0.3486 CC1=CC2C3C4C3N2C14,0.2247 NCC1(C#N)C2CN1C2,0.2591 CCC1OCCC=C1,0.265 CC12C3C1C1C3C21C=O,0.21 COC1OCC2CCC12,0.3349 CC1OC1C(=O)C1CO1,0.2091 COc1cncc(=O)[nH]1,0.1669 CC1COCC2NC2C1,0.317 CCc1nc(c(o1)C)O,0.2131 c1c(ocn1)OCCO,0.2357 CC1C2(C)OC(=O)C12N,0.2438 CC1COC(=O)C(C)=C1,0.2218 CN1CC1(C)C(C)(C)O,0.2907 OC1CC(CC1=O)C#C,0.209 C#CCc1cc[nH]n1,0.2651 C1C=CC23NC12C1NC31,0.2487 NC(=O)C1CC2CC12O,0.2665 CC12OC1(C#C)C1OC21,0.2554 Cn1cccc1N(=O)=O,0.1718 C[NH2+]CC1=C([O-])OC=C1,0.226 COC1=NCC(C)(C)N1,0.277 c1c(c2c([nH]1)NCC2)N,0.221 C#CCC12CC3C1OC23,0.2849 FC1=CC(=N)C=CO1,0.1994 CC12CC(CC1)(O2)C#C,0.2714 CC(C)(C)OCC=O,0.2294 CCOC(C)CC=O,0.2232 OCC1N=CNC1=N,0.2243 CC1CC2C1C2(O)C#C,0.2733 OC1=CNC(=N1)C1CO1,0.2136 CC1(CCC1)C(=O)C=O,0.1525 C1C2CC3CC=CC13O2,0.2392 Cc1c(n2c(n1)CC2)O,0.2309 COC1CC1COC=O,0.2737 CC1(C)C2CC11CCC21,0.3095 CC1(O)C2C3C2N2C3C12,0.2846 CC12CC(CC1)C2(C)O,0.3205 N#CC12CCN1C=NC2,0.2422 O=CC12CC1(OC2)C#N,0.2102 c1cn(cn1)CC=O,0.1865 OC1C=CC2C3CN2C13,0.2254 CC1CC2C(O)C12,0.3161 CC12OC1CC1C(O)C21,0.3052 C1CC2(O1)C1C3NC3C21,0.2782 CC12CC3C1N3C2C=O,0.2135 O=C1C2C3C4C1C2N34,0.2215 O=CC1CCN(C1)C=O,0.2124 CC1OCC11OC1(C)C,0.3205 CC(O)C(=O)CO,0.2353 Cc1nc([nH]n1)COC,0.2671 c1c[nH]c(cc1=NO)F,0.1701 CCNC(=N)C(=O)C,0.1706 CC(C)C12CC1OC2,0.2997 CC1N2CC3OC1(C)C23,0.2796 CC(OC1(C)CC1)C#C,0.2852 CC1(CCC=CC1)C#C,0.2677 C1C2OC2C2=CN=CN12,0.2344 CC1(CC1)C(C)(C)CO,0.3361 O=CN1CC2(CO2)C1=O,0.209 OCC1COC(=N)C1O,0.2875 CCOc1c(cc[nH]1)N,0.224 CCC(CC)COC,0.3375 O=C1NC2C=CC(=O)C12,0.1841 OCC#CC(=O)OC=N,0.2223 Cc1ccc(=O)n(n1)C,0.1714 O=C1C2CC(=O)CC1N2,0.2067 CC1C(O)C1C1(C)CO1,0.3098 O=C1CC2(CN12)C1CO1,0.2381 OC12COC1C(C2)C#C,0.2763 CCOc1[nH]cc(n1)O,0.2398 CC1(CN1)C(O)C=O,0.2129 Cc1c2c(cno2)[nH]n1,0.2115 CC(C)C1(CO)CN1,0.3037 COC1C(O)C1N1CC1,0.2959 CCC(CO)(CO)CO,0.2972 CC1N=CN2C(C=O)C12,0.2021 CC12CC3(C)OC1(C)C23,0.3074 C1CC2OCCCOC12,0.307 COC1CC1OCC#N,0.257 COCC1CC1CC#C,0.307 COCC1CC(=O)N1C,0.2783 CCC1CC2CC1O2,0.3337 Cc1coc(=O)o1,0.2538 CC1OCCNCC1=O,0.2049 C1C2C3CCOC3CN12,0.2996 CC(C)C1(CC1)OC=O,0.2743 CC1CCC(C=O)=C1,0.1935 CC#CC(C)C(C)CO,0.3023 O=C1CC2C3CC2C1C3,0.2254 C1NC1C1=NCCO1,0.256 CC1C2C(O)C2N1C=O,0.2566 OC12CC1CCC2,0.3331 CC12C3OC1C3C21OC1,0.3206 C1CC1n2nc(nn2)O,0.2255 CC1(O)C(O)C(O)C1O,0.2731 CC12CC1C(C=O)C2O,0.2091 COC=NC1(C)CC1C,0.2419 CCOCC(=O)C1CN1,0.2151 CC1(C)C2C3OC2C13,0.2987 NC1(C#N)C2COC12,0.2682 CC1(C=O)C2CCN12,0.2186 CC1OCCCC(=N)O1,0.2804 O=C1OCC1CCC#N,0.2798 CC1CN(C=N)C(=O)O1,0.2479 CC1C=CC(C)N1C=O,0.2423 N=C1NC=CCCC1=O,0.1741 C1CC=C(COC1)C#N,0.2157 OC1CC=C2C3OC3C12,0.2389 Cc1c(oc(=NC)o1)C,0.2316 C#CC12CCCCC1O2,0.281 C1CC=CC2(CC2)C=C1,0.2393 CC#CCc1ncon1,0.2269 CC12CC1OCC2C=O,0.2061 CC12CN3CC1C23C#C,0.2481 CCN=C1OCC2NC12,0.2557 CCCC(C#N)C1CN1,0.2806 CC1(CN1)C(N)C#N,0.2867 CC12CC3C1N3C(=O)O2,0.2837 CC(C)C12CN1C(=O)C2,0.2375 N=C1NC=C(CC#N)O1,0.2183 O=C1CC2NC12C1CO1,0.2216 CC1(O)C=CCC1C#C,0.2632 CC1(C)CC2CN2C1,0.3032 OC1C2C3N2C2C1C32O,0.2916 CCCc1c[nH]nc1N,0.2348 CC1C(C)C1C,0.3412 CC(O)C(O)C(C)O,0.3058 C#Cc1cnncn1,0.1546 CCC1(C(=O)CN1)CC,0.2156 CN=C1OCC=C1C,0.211 C[NH2+]C(CO)CC([O-])=O,0.2783 CN(C)C(=O)NCCO,0.2884 CCC1C2C3N2C1C3=O,0.2324 CC1(COC(=O)CO1)C,0.2607 C#CC1NCC(=C1)C#N,0.204 OC1COC(=O)C=CC1,0.2225 O=CC1(C#C)C2CC1C2,0.2149 COC1(CC1C=O)C#C,0.2186 CC1(O)CC(C)(C1)C=O,0.2274 CC12OC(C=C1)C2O,0.2383 CC12CC(O1)(C#N)C2O,0.2665 c1c(onc1O)C#N,0.209 C#Cc1ncnn1C=O,0.193 CCC1=CCOC(=O)N1,0.2266 CC1(CO)CC11CCC1,0.324 CC1(CCC1)CCOC,0.3277 OCCC12CC1N1CC21,0.286 CC12COC3C4C3N1C24,0.2744 CC12C3C4C(O)C1C4N23,0.2936 CC(O)C(C)(CO)C=O,0.217 CC1C(O)C23CN(C2)C13,0.2577 OCC1OC1(CO)C#N,0.2856 O=C(C#C)C1C2CCN12,0.1762 C1CCOCOC(=O)C1,0.2722 COC1CC2CCCC12,0.3168 CC(=O)C1OC1(C)CO,0.2214 COCC1=NC2CC2N1,0.2377 NC12CNC1C2C#N,0.2671 c1ccccc1,0.2503 CC(C#N)C(O)CC=O,0.2292 Cc1cc(cc(n1)F)O,0.2364 CN1CC2(N)C(C#N)C12,0.245 CC(C)C#CCC=O,0.2188 CC12CC(O1)C1OC1C2,0.3203 CCCC1(COC1)OC,0.3213 COC1(CCC=C1)C#C,0.2507 NC=[NH+]CC(=O)[CH-]C=O,0.1945 CN1C2C3OC2C13C=O,0.1915 O=C1CN2CCC=CC12,0.1987 C#CCC12CC1COC2,0.3006 NC1=CN2C3CC3C2=N1,0.1913 CCC(O)(CO)C#N,0.3112 OC1CCC(CC#N)C1,0.3191 CCc1nc(=O)[nH]nn1,0.1628 CC1(CCC=C1)OC=O,0.2538 CN(C)C(=O)C#CC#N,0.1854 CC1=CC(=O)CC1=O,0.1591 OC1=NOC(=N1)C1CO1,0.2287 CC1OCC(C)(O)CO1,0.3258 CC1CN2C1=CN=C2O,0.2505 C1N=C2NC3C4NC13C24,0.1592 CC1OC(C)(C)CC=C1,0.2647 CN1CC11C2CC1(O)C2,0.3068 CC1OC2C1C=CC2C,0.2588 CC(NC(N)=O)C1CC1,0.3011 NC1(COC1=O)C1CO1,0.253 N=C1OCC=CC11CC1,0.248 CC1=CC(O)C(=O)OC1,0.2489 CC12NC(=O)C1C2C#C,0.2426 CC1(O)C2OC(=N)C12C,0.2657 OC1C(O)C11CC(=O)C1,0.2193 COCC1CC1COC,0.3339 CCC(C)(C=O)C=O,0.2125 C1C(N1)(CC#N)CC#N,0.285 CCn1c(ccn1)C=O,0.1972 OCC1C2C1C(=O)C2O,0.2209 CC12C3CC(C13)C21CC1,0.3261 CN(C1CC1)C(=O)C=O,0.1671 CCC1CC(CO)CO1,0.3234 CC(C=O)C1CC1(C)C,0.224 O=CN1C2COCC12,0.2574 C1CC2C3CC1C2CO3,0.3153 COC1C2C3C2C(=O)C13,0.2434 Cc1cn(c(c1C)N)C,0.2387 CC1(CCC#C)CO1,0.3137 C#CC1(CC2CC2)CN1,0.2752 N=C1OCC11CN2CC12,0.2563 N=COCC1CC1C#N,0.2837 CC(O)CC1(C)CCC1,0.3206 COCC#N,0.2939 C1C2C3OC1C1NC1C23,0.295 CC(O)C1(O)C2CCC12,0.3014 C1CC11OCC2OC12,0.3229 OC1CC2NC12CC=O,0.213 CC1C(CC#N)C2CN12,0.2768 C1CC1CCOC(=O)N,0.3234 C1C2OCC3NC13C=C2,0.2166 C#CC12COC(CO1)C2,0.2755 CN=C1NN=CC(C)=N1,0.1512 CN1N=NC(N)=NC1=N,0.1656 N#CC1CC(C1)C1CC1,0.3159 OCC1C2NC2C11CO1,0.3022 CC#CCN=C(CO)N,0.2557 CC12OC1C(=O)CC2O,0.2132 c1c(coc1N)NC=O,0.1944 CC1C2C3C4COC13C24,0.3141 CC(=O)C1CN1CCO,0.205 COC1=C(N=NO1)C#N,0.1669 CC(O)C1C(C)OC1=N,0.2869 OCC1OCCNC1=O,0.263 OCC1CC2OC2C1O,0.3076 O=CNC12CC1CCC2,0.2741 OCC1C=CCN2CC12,0.2449 c1c(c(c([nH]1)O)N)C=O,0.1658 CCC12C3C4C(N14)C23C,0.2791 N=C1CCCCN1C=O,0.2264 c1cnc2n(c1=O)CC2,0.2018 c1coc(=O)n1C2CC2,0.2337 OC1(C#N)C2CC=CC12,0.2304 CC1CC=C2CC=CC12,0.2475 O=C1NCC(O1)C1CN1,0.2994 OC1CC2CC=CC2C1,0.2638 CC(CC#C)C(=O)C#C,0.1986 O=C1CNC23CN(C2)C13,0.1857 C#CCCC12CCC1O2,0.3051 COC1(C)CC1CO,0.3248 CC1C2C3NC(=O)C2C13,0.2526 OC1CC2CCC=C2C1,0.2493 CC1C(C#CC#N)N1C,0.1968 CC1=C(OC(=N)O1)C=O,0.1705 CC1C=CCC=CC=C1,0.2258 CC1OC1C1(CO1)C=O,0.2036 O=CN1CC11CC=CC1,0.2489 OC1C2NC1C(=C2)C#C,0.1872 CC1CC2C(O)C(C)C12,0.3082 C1OC1C1C2CC1C=C2,0.2403 C#CC12CC3CN(C1)C23,0.2453 CCNC(=[NH2+])CC([O-])=O,0.232 OC1CC2(O)CCC2=C1,0.247 CCC#CC(NC)C=O,0.2072 N=C1NN=CC(=O)N1,0.1834 O=C1OC2CN3CC2C13,0.241 NC(=O)C1C2N1CC2=O,0.221 OCC1CC(O1)C#N,0.2665 OCC1C2C3OCC3N12,0.2747 C#CC1=CCOCC1=O,0.1752 Cn1nnc(=O)nn1,0.1496 CC(CCCO)CC=O,0.2281 CN1C2COC3(CC3)C12,0.3024 c1coc(n1)CCC=O,0.2207 COCC1C2CC3C2N13,0.3109 CC(C=O)C1(C)NC1C,0.221 CCN1C2CC3OC3C12,0.2804 c1c(oc(=O)o1)CO,0.2523 C1C2OC3C4C2N4CC13,0.308 Cc1c[nH]cc1N,0.2329 OCC1C2C3OC3C12,0.2837 CC1NC2(CC2O)C1=O,0.2107 CC(C)(CO)C(=O)NC,0.2773 CCCN(C=O)C(=N)C,0.2344 CC12CC3C4CC3C1C24,0.3501 CC1C(O)C11CCCC1,0.3181 CC1(CC1)C2(CC2)OC,0.3109 N=C1NC2C(OC12)C=O,0.2032 C#CC#CC1COC=N1,0.2254 O=C1OCC2OCC1O2,0.2604 CCCCc1ccn[nH]1,0.2571 CC1=CC2CC1(O)C2,0.2378 CCC1(O)C2NC2C1C,0.3018 Cc1c([nH]nc1O)C#C,0.2043 CCCN1CC1CC=O,0.2072 CC(=O)C1=CNCC1,0.1771 CCOc1c(nc[nH]1)N,0.2163 OC1C2C(C#N)C2C1O,0.2857 N#CC1CCC11CN1,0.2758 CCC1C2NC2(C)C1=O,0.2149 CC12CCC11CC(C1)C2,0.3397 CC(CC(C)=NO)C#C,0.2516 C#CC12NC1CN1CC21,0.2522 c1cncc2c1COC2,0.222 CC12CC1C1OC1CC2,0.327 CC(=O)COC(=O)C#N,0.1991 O=CC1CCC2CC1C2,0.2224 CC1CC1C1COC1=O,0.2742 CC(C#C)C1OC1C,0.3072 OC1C2CC(C#C)C12,0.2904 O=CC1CC2CC12C#C,0.2069 OCC1C2C3C4C3C2C14,0.3068 COC=NCCC(=O)N,0.2618 CC1(CC=CC1=O)C=O,0.1862 C1C=CCc2c1[nH]nn2,0.2407 OCC(C#C)C1CO1,0.3051 CC1C2C3N2C=NC13C,0.2357 OC12CC1C1CN1CC2,0.2882 CC1C2(O)COC12C#C,0.2367 C(CO)NC=O,0.2828 NC1=NCC2OC1C2O,0.2408 CC1CC(=O)OC1C,0.2785 CCC1OC2(CC)CC12,0.3107 CCC(C#C)N1CC1,0.2829 O=C1OCC2C(C#C)N12,0.2577 CC1COC=NC2CC12,0.2515 CC1(CCC1C#N)C#C,0.2839 COCC(C#N)C(C)=O,0.2285 CC1=CON=C(F)C1=N,0.184 CCC1NC1C1(C)CN1,0.2992 O=C1CCOCC11CN1,0.2258 Cc1c(nc[nH]1)OC,0.22 CC12CC1COC2C#C,0.2927 CCC1C(C)CCC1C,0.3585 OC1C2C3C=CC1(O)C23,0.2367 COC12CC3OC1(C)C23,0.2901 OC12C3OC1C1CC3C21,0.2902 CC1OC(C)(C#N)C1=O,0.2176 Cc1c(nc([nH]1)N)C#N,0.207 CC12CN1CC(C)(O)C2,0.2827 CCC1(O)C2CCC1O2,0.3268 CCCC1(O)CNC1=O,0.264 O=C(CCC#N)C1CO1,0.2246 CC1NC1C1OC1CO,0.3147 CC1C2CC3CC1(O)C23,0.3164 CCC1=NC(=N)NN=C1,0.1579 OC1C2CC1(O)CC2O,0.3162 O=CC1OC11CCOC1,0.2158 O=CCN1CCC1C=O,0.1988 Cn1c(cnc1C#C)N,0.1886 CCC(C)(OC)C#C,0.2963 Cc1ncc(c(n1)O)F,0.2195 O=CNC1CCC1C=O,0.2194 CC(C1C[NH2+]C1)C([O-])=O,0.271 ON=C1CC2NC12C#N,0.2352 CC(O)C(=O)NC(C)=O,0.2245 CC(C)(C)OCCOC,0.3233 C#CCc1nc[nH]n1,0.263 NC(=O)C1C(O)C2CN12,0.2421 CC1COC2CC1CO2,0.3252 CC(C)(C#C)C1CO1,0.3098 C1CC11CC2CCC2C1,0.3448 CCC1C2CNC(=O)C12,0.2687 CC1C(O)C11CCO1,0.281 OC1CC1C(F)(F)F,0.3287 CC1NC(C)(C#N)C1C,0.2712 C#CCC(=O)NC=N,0.2376 CC1(CC(O)C1=O)C=O,0.1898 O=C1NCC11CNC=N1,0.2366 Cc1nc(co1)N(C)C,0.205 c1nc(c(c(n1)F)N)F,0.2077 CC12CC(O)C1(N2)C#C,0.2715 CC1N=CN2CC12C#C,0.2397 Cc1ncnn1CCO,0.2609 C1C23OC=NC12C1OC31,0.2144 CC1CC(=O)C(C)O1,0.2192 O=CN1CC1C1CCC1,0.2563 C1C2OC11C3OC3CC21,0.2971 CC1C=CC=CC=C1,0.1774 ON=C1C2CC1N1CC21,0.2414 C[NH+]1CC=C(C1)C([O-])=O,0.1563 NC(=N)C(=O)CC1CN1,0.1794 CC1CC2C3C=CC1C23,0.2375 COCCCCOC=O,0.2695 CC1=CCC(=O)C=CC1,0.177 N#CCOC1CC1C#N,0.2842 c1cc(=O)onc1C#N,0.1745 CC(O)C1CCC(=O)N1,0.2702 CC1NC1C1OC1C#N,0.2614 CC1OC2C(CO)C12O,0.3018 CC12C=CC3CC1C23O,0.2407 COC1CC2CC2C1O,0.3132 CC1(CC1O)NC(N)=O,0.2952 CN1CC(C1)(C=O)C=O,0.1952 c1c(cncc1F)CO,0.2191 N=C1OC2CC3COC123,0.2616 C#CC1(CC1)C2(CC2)O,0.2818 CC(C#C)C1(CO1)C#C,0.2812 CC1(CCC2OC2)CC1,0.3476 CCC1(CC1)CCC=O,0.2286 CCC1C2CC1C(C)C2,0.3692 OC1C2C3NC(=O)C1C23,0.2534 Cc1cc(=O)oc(n1)N,0.1918 NC1CNC1C#N,0.2607 CNc1nc(no1)C=O,0.1769 CN(C=O)C1CC1(C)C,0.2629 O=C1C=CC2N=CNC12,0.168 CC1=NC(O)=CNC1=N,0.1397 OCC1CC2NC2C=C1,0.2497 C(#N)c1c(onc1O)N,0.2262 CC1NC1C(O)C#N,0.2769 CC(C)C#CC1CN1C,0.2601 CC1CCCN1CC#N,0.2626 CC(O)CC1C2CCC12,0.3083 CC1(C)OCC1C(N)=O,0.2593 CN=C1NC(C)=NC1C,0.224 CC12CC3(CCC3C1)O2,0.3192 O=CN1CCCC1C#N,0.2685 OC12CC1C(=N)NC2=O,0.2347 CCC1=CCC(C1)C=O,0.2207 C1C(=O)C(=O)COC=N1,0.1525 CN=COCC1CO1,0.2735 COC12COCC1C2O,0.296 O=C1OCC2=C1N=NO2,0.1771 CCC1C=CCC1=O,0.2225 OCC1CC2OC(=O)C12,0.2776 CC1OC=NC1C#N,0.27 OCC1(C#C)C2CN1C2,0.2539 CC(C)C(C#C)C(N)=O,0.2708 CC1CC(=O)C1OC=N,0.2042 N=C1COC(=O)CCO1,0.2664 CCN1CC1(C)CCO,0.3001 CC(=O)C1OC1C#C,0.2183 CC1CC(C=O)C=C1,0.2164 CC(C=O)N1C=CC=C1,0.1761 CC(CC1(C)CO1)C#C,0.3085 CC(O)CC(=NO)C#C,0.2064 CC1=CC2CC1C=C2,0.2157 OCC1=NC=NOC1=N,0.1713 CC12NC1C1(NC21)C#N,0.2274 CC1C2OC(=O)NC12C,0.2971 C1NC11C2CC1OCO2,0.3175 OC(C#N)C1CCC=C1,0.2551 c1cnn(c1)C=O,0.2191 OCC12C3C4C3C1C24,0.2807 COC1(CCC1)C2CC2,0.325 CCC1CCC(=O)CC1,0.2234 OC1CC(=O)C11CC1,0.2172 CC1=CC(O)C(O)C1O,0.2549 CNC(=O)C(C)(O)CO,0.2738 N#CC1CNC2CC2O1,0.241 ON=C1COC(C1)C#C,0.247 CCCC(O)CCOC,0.3187 OCC1C2C=CC3C2N13,0.2254 COCC1CC(=O)CO1,0.2206 OC1C2OCC12C1CN1,0.2931 CC1=NON=C1C1CO1,0.2428 O=CC12NCC1OC2=O,0.1907 CN1CC1(C#C)C(N)=O,0.2495 CC1CC2(C1)C(O)C2O,0.2793 OCC12CC(O)(C1)C2,0.3286 c1c(nc(o1)C(=N)N)O,0.1854 COC1(CC1)C2COC2,0.3115 C1C2OC3C4OC(C14)C23,0.3033 OC1C2C3C=CC2C13O,0.2255 CC12CC(C)(C1)C(=N)O2,0.2871 CC12C3C=CN1C(=O)C23,0.2005 CC(C)N(CC=O)C=O,0.212 CC1CC2CC12,0.3435 CC1COC=NC1(C)C,0.2729 OC1(CCC1C#C)C#C,0.2721 CC1CC(C)(C=O)C1=O,0.1939 COC12CN(C1)C2(C)C,0.3178 C(=O)C(=N)NC(=O)N,0.1937 OCCC1OC11CCC1,0.3318 CC1(CO)OCCC=C1,0.2597 CC1NC11C2OC2C1O,0.3128 CCC1(CC1(C)O)OC,0.2906 CC1C2C3CC1(C)CC23,0.3402 C1CC2C1N1N=CN=C21,0.2634 CC12NC1C1CC2C1O,0.2974 CCC12OCOC1C2O,0.3061 CC1C2C3C2C(C)(C)C13,0.3329 COC12CC1C=CC2O,0.2333 CCC(C=O)C(=O)OC,0.2272 CN1C=NC2CC1C2=O,0.1909 CC1(C)C2CCC12O,0.3017 N#CC12CC(C1)C2,0.3361 CC1C(=O)COC11CC1,0.2155 OC1C2C1C1=NC=CN21,0.2266 CC12CC3CC1(CO)C23,0.3106 C1CC1C(=O)CC=O,0.2102 CC12CCC1COC2=N,0.2813 CC(C#N)C(C)(O)C=O,0.2251 c1cc(c(=O)[nH]c1)N,0.1692 O=CC1NC2C3OC1C23,0.2058 CNC(C#N)C(C)(C)O,0.275 CC#CCC1CC1,0.3022 CCC12C3CN1C(=O)C23,0.2448 C1CC23C4OC2C4C3O1,0.3058 CCC12CCC(O1)C2=O,0.2317 CN=CN(CC#N)C=N,0.2217 CCC1=CC(O)C2OC12,0.2374 N#CCCCC1CO1,0.3101 COCC(C=O)C1CO1,0.2273 CC(C)CC1NCC1=O,0.2186 C#Cc1cc[nH]c(=O)n1,0.1656 CC(CC#C)C(F)(F)F,0.3167 N#CC1C2C3CC1OC23,0.284 N=C1N2C3CC(C23)C1=O,0.1746 CCC(=O)c1cnoc1,0.2061 CC1=C(NN=N1)OC=N,0.2114 CC1(C#C)C2CC1OC2,0.2788 N#CC12CN3C(CN1)C23,0.2517 OC12CNC1=CC(=O)C2,0.2026 COC1(C#C)C2COC12,0.2531 CCC(O)C(C)C#C,0.3073 O=C1OCC2(NC12)C#C,0.2368 NC(=O)N1C2CC1C2O,0.2621 CC1=NCCC(O1)C#C,0.2656 c1c(=O)nc(oc1F)N,0.2221 CC1(C)CC(O)C1(C)O,0.2987 CC1C2N3CC3C12O,0.2843 OC1CC2OCC2C1=O,0.2191 C(C#CC(=O)C#N)C#N,0.1943 Cc1cccc(c1O)F,0.222 N#CC1CC1(C#N)C#N,0.2741 O=C1C=CC2CC3C2C13,0.1794 CCC1(CCC1)OC,0.322 C1C2C3C1C1C=C3CC21,0.1208 OC12C=CCC1C2C#N,0.2467 C1CN1C(=O)CCCO,0.2535 CC(=O)OC1COC1,0.2608 CN1C2C3NC(=O)C1C23,0.2256 CC(=O)N(C)C(=O)C=O,0.1568 Cc1ccn(c1C)C=O,0.183 C1c2c(nn[nH]2)C(=N1)N,0.2188 CC1=CCC=CCOC1,0.2386 C1CC23CC4CC12CN34,0.2823 OC1C(=O)CC=C1C#N,0.2038 N=C1CN2C3CC2C3O1,0.251 c1c(con1)NC(=O)N,0.2181 CC1(CN1C1CC1)C#C,0.2756 CC12CC3OC1(C)C23C,0.2946 CC#CC1CC11COC1,0.2771 ON=C1CC2(CN2)C1O,0.2366 CC1(CCC1)C2CC2,0.3438 c1cnc(nc1O)C=O,0.1789 CC1(CO)CC(=O)C1O,0.2239 CC1=CCCCCOC1,0.2524 CC1CC1(C)OC(N)=O,0.3133 OCC1CC(O)C11CC1,0.3247 CC1=NCCO1,0.2718 O=CC#CC1OC1C#N,0.1961 C1CN(C=N1)C(=O)CO,0.2213 C1C2NC22C=CC3C2N13,0.2047 CC12CCC1(C)C1OC21,0.3389 CCC1(COC)CN1C,0.3031 Cc1c(nccn1)CO,0.1982 O=C1OCC2CNC2=C1,0.2097 CN=COCC(O)C#C,0.2619 O=CC12CC3C1CN23,0.2048 N#CCC12OC1C1CC21,0.2702 C1OC1C12OC1C1CC21,0.2828 COC12CCC1C(C)C2,0.3179 OCC12C3CC1COC23,0.2972 CCC(=O)C(=NC)NC,0.1802 NC(=O)C1(O)CNC1=N,0.2565 CNC(=O)C1CC1C#C,0.2512 CCOCC(C#C)C#N,0.276 CCc1cc(c[nH]1)NC,0.2209 CC1COC1(C)C#N,0.2838 OC1CCC2OCCC12,0.3015 NC(=O)C1=COC(=N)O1,0.195 CC12CC(C1)C2(C)CO,0.3265 CCC1C(CO)C1(C)O,0.3034 N#CC1OCC1N1CC1,0.2579 CC(C)N=C1OCC1O,0.2635 O=C1CC(CC#C)N1,0.2836 COC12C3OC1CC23C,0.3002 CC(=O)CC1(CO)CO1,0.2227 CC1C2OC2C2(O)CC12,0.3272 CC1C=C(C)C2COC12,0.256 C#CC12CC1OCOC2,0.2863 CC(=O)C#CC1(C)CO1,0.2053 NC12CCC1(OC2)C#N,0.2492 CC1OCC11CCCC1,0.3095 N=C1COC(O1)C1CC1,0.2879 CCCC(O)C#N,0.3136 ON=C1CC2CC3C1N23,0.2314 C1CC1CCC#N,0.3316 CN1CC2OC(C=O)C12,0.1956 C#CCCNC(=O)N,0.2999 CC#CC(CCO)C#N,0.2865 COC1COCC=CC1,0.2605 CCC(C)C1CCOC1,0.3224 CC1NC1C(C=O)C=O,0.2066 Cc1ccc(o1)NC,0.214 CC1(O)C2COC(=N)C12,0.2732 Cc1cc2cc[nH]c2o1,0.2179 N#CC1C2CC2C2CC12,0.3045 c1c(nc(c(=O)o1)F)N,0.1428 CCC1=CCC2(C)CC12,0.2449 O=C1CCCC2CCN12,0.2635 CC#CC(C)C#CC#C,0.2283 CC1C2C3CC(C3)N12,0.3069 O=C1OCOC2CCC12,0.2717 OC12CN(C1)C2CC#N,0.2946 CN1C2CCC(C2)C1=O,0.2636 CCC1CCC(=C1)C#N,0.2188 c1cnccc1C=O,0.1823 c1c(cn[nH]1)C(=O)N,0.237 CC1CN(C=O)C11CC1,0.2526 C1CCC(C1)CCC=O,0.229 CC1CC2(CN12)C#C,0.2536 CC1=CCOC(=O)N1,0.2283 c1c(oc(n1)N)C=O,0.1787 CC1CN1C1=CON=C1,0.2077 O=C1OC2CC(=O)OC12,0.2621 Cc1c(con1)CO,0.2491 CC1OC1C1(C)CC1C,0.3389 N#CC1CCOCO1,0.2959 CC1OC2=NC(C)CC12,0.2666 OC(C#C)C1C2CCN12,0.2576 CCNc1noc(=O)o1,0.268 C1C2N1CC1N3CC21C3,0.2939 CNC(=O)C1OCC1O,0.2614 C1C2N1CC21CCC1,0.3035 CCOC(C)(CC)C#C,0.2965 CC(OC(C)=O)C#N,0.2844 O=CC12NC3C1C=CC23,0.1853 NC1=CC(=N)ON=C1O,0.1628 C(=O)C(=O)C(=O)C#N,0.1169 c1cc(=O)onc1,0.1811 Cc1c[nH]c(c1O)C#N,0.2033 CCOCCOC(C)=N,0.2875 CC(C)CC1CC1(C)C,0.3367 C1C2C3OC4CN2C1C34,0.3016 C#CC1(CCC1)C#N,0.2902 C1CN=COCCC#C1,0.2554 C(=O)N(C(=N)N)C(=N)N,0.2181 C#CCC1NC1C1CN1,0.2927 C1N2C3CC4C=CC13C24,0.2252 OC1CC(NC=O)C=C1,0.2364 C1NC11C=CCC2CC12,0.247 CC(C)C1CC(O)CO1,0.3157 C1C(=O)N(C=N1)CC=O,0.2062 NC(=O)C1CC11CCC1,0.2729 CC1CC2C1C1OC21C,0.3204 CCCC(C)CC(C)=O,0.2335 N=C1OC2CC2CC=C1,0.2129 CC(C)C#CC(=O)C#C,0.1875 N#CC12C3CC1CN23,0.2652 CN=C1OC=C(F)N=C1,0.1477 CC1(CO)CNC(=O)C1,0.2741 OC1CC23CC(C12)C3=O,0.2517 CCc1ncnn1C=O,0.2183 CN1C2CC1C2(C)C#C,0.2463 NC(=O)C1C2C3CC2C13,0.2648 CC1C2C=CCC12C=O,0.2231 N=C1NN=CC=C1C#N,0.1399 C1COCCC1NC=O,0.2808 C#CC#CCNC=O,0.2217 CC1C2C(O)C2C2CN12,0.2722 NC1=NCC2(O)CC12O,0.2542 c1c(n[nH]c1O)CC=O,0.2076 C#CC1OCOC1C#N,0.2792 CC1C2C1N1CC(O)C21,0.2677 O=C1CC2(CC#C)NC12,0.2209 CCC(=O)OC=NC,0.2444 OC1CN2CC11OCC21,0.2548 Cc1c(c(=O)cc[nH]1)O,0.1849 ON=C1CC=CC1C=O,0.2126 CC1CC1(CO)C1CO1,0.3268 CC12CC(CO1)C1CC21,0.3256 CC1C2(O)C3CC1(O)C23,0.3039 C1C23CCCC12CCC3,0.3245 C1C2OC1C1=NNN=C21,0.2376 Cn1nc(nn1)CC=O,0.2249 CN1CC(CO)NC1=O,0.2887 O=CC1=CCNC1C#N,0.1758 C1C2CN1CCN=CO2,0.2187 C(C#N)C(=O)NC(=O)N,0.241 c1c2c(no1)NCCO2,0.224 COC1(C)COC1C=O,0.2195 CCC1COC(=O)O1,0.3321 C#CC1OC2CC2O1,0.2702 CC(O)CC1=CON=N1,0.2304 OC12CCC1NC(=O)C2,0.2734 CCC1(N)C(O)C1C#N,0.2796 CC12C3C4C3(O)C1C24O,0.2889 c1conc1C(=O)C=O,0.1475 OCC1C2C(CN12)C=O,0.2186 CC1CC(C)CC(O)C1,0.3352 CN(C=O)C(CO)C=O,0.2069 CCCOCC1CC1O,0.3226 CC(=O)NCCCC#N,0.2732 NCC(O)(C#N)C1CN1,0.2755 COC1OC(C)C2CC12,0.3445 CC1C(=O)C2NC12C=O,0.1907 CC1OC11CC2CC12O,0.3157 ON=C1C2CC1(O2)C#C,0.2425 CC1(C)C2CC3OC1C23,0.3147 C#CCC1CC1C#C,0.2845 CC(CO)CCOC=O,0.285 O=CC1C2OC(=O)C12,0.2163 CNC1CCC1(O)C#N,0.2403 CC(C#N)C12CN1CC2,0.2782 C1C2OCC=CC=CC12,0.2122 CC(N1CC1)C1(C)CO1,0.3132 c1c(nc(c(n1)O)F)N,0.1704 CC12OC(=O)C1(N)C2O,0.25 CCCC(CCO)C#N,0.3065 CC(C#C)C(=O)N(C)C,0.2597 c1c2c([nH]n1)CCCN2,0.2206 CC1CC(C1)C1CCC1,0.3512 COC1CC=C(C1)C#N,0.2218 COC12CCC1C2C,0.3241 Cc1c2c(no1)CC=C2,0.2014 C1COC2C3OC2C3O1,0.3118 c1c(c[nH]c(=O)c1N)O,0.1631 CCC1CC(C)(C)C=C1,0.262 CCC(=NO)C(C)OC,0.2578 CC1CC1(C)CCC#N,0.3135 CC1CCC2(O)CC2C1,0.3255 N#CC12CC3CC3C1N2,0.2763 CC1CCOC(C)=N1,0.2698 CC12OC3(C)CC1C23O,0.2904 CCC1C(C)C1CO,0.3273 COCc1cn[nH]c1N,0.2366 CC12CC3N(CC13O)C2,0.2726 CC(C)(C#C)C#N,0.2967 OCC12OC3C=CC1C23,0.2246 c1c(c2n(n1)C=CC2)O,0.189 C1OC2OCC3C1C23,0.3271 CNCC(O)C#N,0.2804 COCC1(O)C(C)C1O,0.305 Cn1ccc2c1onc2,0.2152 CNCc1c(non1)N,0.2127 CC(C)(CC1CC1)C=O,0.2281 c1c(nc(c(n1)O)N)F,0.178 CN(C)c1ccoc1,0.2158 CCC1CCC2C(O)C12,0.3066 O=C1CN2CCC1CC2,0.1934 CN1C(=O)C2OCC12C,0.2478 C1CC1(CC#CC#N)O,0.2305 CC1CC(O)C(=C1)C#N,0.2222 CC(C)C1CCC(C)C1,0.3754 CC(C1CC1)C(C)=O,0.2286 CC12C3OC1CCOC23,0.2845 CC1CC11COCO1,0.3283 CC1(O)CNC11COC1,0.2972 CC1C2CC2(C#C)C1O,0.2725 OCC(=O)N1CC1C=O,0.2065 CC1CC=CC1CCO,0.2616 CC(O)C1(O)CC2NC12,0.291 CCC1CC(C)C(=O)O1,0.2776 CC1(CC#N)CCCO1,0.2914 CN1C=CC(=O)CC1=O,0.1797 CC1(C)CC1CCCO,0.3373 O=C1COC11CC=CC1,0.2203 c1[nH]c(=O)n(n1)C=O,0.214 CC12CCC1OCCO2,0.3096 C#CCCC(=O)C#N,0.1862 CC1CC23CN4C2CC134,0.2498 CC(C)C1NC(=O)C1C,0.2795 CNC(=N)c1ncno1,0.1781 CC12NC(=O)C1C2C#N,0.2447 COC(C)C(C)CO,0.326 CC1C2C3OC1(C)C23O,0.2894 CC(O)CC1(CC1)C=O,0.2333 CC(C)(CO)COC,0.3217 CCC1(O)CC(O)C1,0.3196 OCC1(CO1)C#CC#C,0.2174 OC1CC1C1OC1C#C,0.2761 CC1C2CC(O)C(=O)N12,0.2345 COC=Nc1c[nH]nc1,0.2074 C1CC1c2nc(no2)O,0.237 C1CC1c2c([nH]nn2)N,0.2237 CC1C(C)C1(CO)C#C,0.2871 CNC12CC1NC2C#N,0.2442 O=C1OCC1CC1CC1,0.2806 OC1C2CN3CC2(O)C13,0.2864 Cc1c(ocn1)OC,0.2303 COC(C=O)C1CC1C,0.2098 CCCCOCC1CN1,0.3228 CC12OC1C(O)CC2=O,0.2143 CC1C=CC23CC12CO3,0.2257 CNC12CC1(OC2)C#N,0.2314 OC12CC1CC21CC1,0.3035 c1c([nH]c(c1O)O)C#N,0.187 N=CN1C(=O)CCC1=O,0.2245 Cc1cc(c(o1)O)OC,0.2174 CC12OCC1CNC2=O,0.248 CC1(COCCO1)C=O,0.2075 CC(C)(CCC#N)OC,0.3075 CC#CC(C)(C)CO,0.3002 OCC1CCC2OC2C1,0.3316 NC(=[NH2+])N1C=NC=C1[O-],0.18 CC(C#N)C(=O)CO,0.2326 C#CCc1noc(=O)o1,0.2667 O=CC1CC=CC(=O)C1,0.187 CC1OC1C1=NON=C1,0.226 OC1CC(=O)C1C1CC1,0.2173 CC1CN2C(=O)CC12C,0.237 OC1C2NC(CC#N)C12,0.2721 CC12CCC(C=C1)C=C2,0.2383 CCC(=N)OCCOC,0.2902 CN1CC2NC2(C1)C#N,0.2318 CC1([NH3+])CC1(O)C([O-])=O,0.2595 CCOC1(C)CN2CC12,0.3084 CCOCC1CC(=N)O1,0.2781 CC1CC2CCOCC12,0.3176 CC12CC(C=C1)C21CC1,0.2358 O=C1NCC11CN=CN1,0.2363 CC12COC11CC(C1)O2,0.304 OC1C2CC(C3CC3)C12,0.3173 OCC(O)CC1CCC1,0.3119 ON=C1CC2OC2C=C1,0.1837 OC1=C(F)C(=N)N=NO1,0.1965 CNc1ccc(o1)C#C,0.1764 c1c(c(=O)oc(n1)F)N,0.1674 COC(C)C1OCC=C1,0.2505 CCCCC1CCC1O,0.327 CC1=COC(=N)NC1=O,0.2042 CC1CC=CN(C)C1=O,0.2099 CCNc1c(cn[nH]1)N,0.233 C1C2(CO1)C(=O)OCO2,0.2525 CC1COC(=N1)C1CN1,0.2558 CC1C=CC=CC=C1C,0.1742 C1COC(=O)CC(=O)N1,0.2507 CC1C=C(C)C(=O)C1=O,0.139 COCC1(CN1)C(C)=O,0.2251 CCC(COC)OC,0.3287 N#CC1OCC=C1C#N,0.2164 CCC1CC1OC(N)=O,0.315 CC1C(C#C)C11CCO1,0.2687 O=CCC1CC2CC2O1,0.2255 CC1NC2CNC12C#N,0.2453 CCC1C2OCC2N1C,0.2875 C1OC11CCC11CCC1,0.3296 OC1C2(O)C3CC3C12O,0.2668 CC(=N)OCC#CC#C,0.2223 c1c(c(n[nH]1)C=O)N,0.1752 CC12CC3=CCC(O1)C23,0.2116 CCCc1cnnn1C,0.2509 O=C1CC2C1NCC2=O,0.1829 CC(O)CC1COC1=N,0.2906 CC1(C)OC11COC1=N,0.2713 O1C2C3C4C3N3C2C3C14,0.2972 CC1C=C(C#N)C2CN12,0.1915 CC12CN3C1CC3(C)C2,0.3116 CC1C(=O)CCC11CC1,0.2183 N#CC1CC(O1)C#N,0.2716 COC1C2CC=CC1O2,0.2409 CC1(CO)CC1CC=O,0.2254 CC1(NC1CC#N)C#C,0.2724 c1c2c(co1)NCCC2,0.2132 ON=C1C(O)CNC1=N,0.1956 OC12CC3C=CC(C1)C23,0.2524 CC1NC1(CCO)C=O,0.2169 CC(CCO)C(C)=NO,0.2584 CNc1cn(nc1N)C,0.2141 O=C1OC(C#N)C2NC12,0.2523 CC1(CC=O)CC1CO,0.2233 CCCC(=O)CNC=O,0.2209 CN(C)C(=O)NC(=O)N,0.2594 C1OC23CC4CN(C12)C34,0.2752 CC1(CO)NC1C#N,0.287 C(C(CO)(C#N)O)O,0.2937 CC1OC1(C)COC=N,0.2805 CC12CN3CC1C(O)C23,0.283 CC12CC3CC4C1N2C34,0.2976 CC1C2C3C(C2C#C)N13,0.2843 NC(=O)NC1CC1CO,0.2926 C#Cc1ccc(=O)oc1,0.166 c1c(c(no1)C=O)CO,0.1937 CC1CCCC(C)=CC1,0.2522 OC1CC2CC(=O)NC12,0.273 CCCN(C)C=O,0.2724 O=C1C2CC3(CCC13)O2,0.2076 C1CC12CCN2C=O,0.2524 c1cc(ncc1CO)F,0.2188 C1C23CC4NC4C12CO3,0.2787 CCC1C2C(C)C(=O)N12,0.2328 CC#CC(=O)CO,0.2095 O=C1CC2CN2CC1=O,0.1424 OC1C2C3OC2C3C1=O,0.2038 CC1C2N1C1CC2(C)C1,0.3158 CCC12C3CC1N=CN23,0.2385 CC(C)C1(O)CC2CC12,0.3107 O=C1C2CC2CC11CO1,0.2121 CC1=NCC(CO1)C#N,0.2703 OC12CC(C1)(C2)C1CC1,0.3301 CCOC(=N)C1CCO1,0.2866 CC1CC1C(C=O)C=O,0.1952 CNC(=O)C12CC1CC2,0.269 NC(=O)C1CC2COC12,0.2649 CC1(C)C(CC1=O)C#N,0.2192 CCC1(CC1)C(C)CO,0.341 OC12CN3C1C1(CC1)C23,0.3096 Cc1c(cc[nH]c1=O)O,0.1841 CC(=N)Nc1cnco1,0.2139 CN1CC(O)C1C#C,0.2575 CC1=Cc2c(ocn2)C1,0.191 O=CC1C=CCCC1=O,0.2052 CC1C2COC12C,0.3109 C1COCC(=C1N)C=O,0.1821 c1cnc(cn1)C2CC2,0.2001 OC1C2C=CC11OCC21,0.2145 CC#CC(O)C(=O)C#C,0.1798 CC1CNC2=C1N=NO2,0.1656 C1C2C1C1CCC21,0.3171 CC1=CNC(=O)CC1,0.2098 CN1CC2(CN2)C11CC1,0.2767 OC1=C(F)C=NC(=N)O1,0.1593 OC1C(O)C1OCC#C,0.2555 CC(CCO)NC(N)=O,0.2998 CCC(=NO)COCC,0.2539 NC1=CC(=O)CC11CO1,0.2011 c1cc([nH]c1)C2(CC2)O,0.2349 CC(O)C1(CO)CC1,0.326 CC1CCCC(C)O1,0.3293 C1C2OC3CC=CC12O3,0.2309 c1c([nH]c(c1O)O)C=O,0.164 CC1C2OC3(COC3)C12,0.3073 [NH3+][C-]1C=CC2=C1ON=N2,0.1112 CC1=CCCC1(C)C=O,0.2064 Cc1c(ccoc1=O)F,0.1848 CCCC1(CC1)C#N,0.3201 N#CC1C2C1N1CC2C1,0.2679 Cc1c(c([nH]c1O)N)O,0.2109 CC1(CC1)OC(=O)CN,0.259 COC1C2CC1(O)C=C2,0.2359 CC(O)CC(C)C(N)=O,0.2716 CCCOC(=O)NC=O,0.2456 CC(O)C1=NNN=C1N,0.2156 c1c(nc(nc1O)F)N,0.2347 CC1C(O)CC1(C)C#N,0.3094 CCC1COC1(C)CC,0.3183 CCC1OC2C3OC2C13,0.3043 CC1N2C3CC(C)=C1C23,0.1656 Cc1c(=O)c(non1)N,0.1617 CC1C2CC3NC3CN12,0.2711 C1C2CCC11N=COC21,0.2546 CC12CC3OC1C2C3O,0.2941 CCC(=O)C12CN(C1)C2,0.1983 CC1CC2C3C2C1C3O,0.3282 C1CC23CCC12CCO3,0.313 OC12CC3=CCC1C23,0.1759 OC(C#N)C1CCC1,0.3038 O=CCCC(C=O)C#C,0.2094 CC1CC2C3CCC2C13,0.3653 CC1(OCCC1=O)C=O,0.1985 CC1=NCCCOCO1,0.2585 C#CCNC(=O)C1CC1,0.2718 CC1(NC1C#C)C#C,0.255 O=CC1=CC2OC2C1=O,0.148 c1c2n(cn1)CCCC2,0.2421 C1CC(C1)CC(=O)C#N,0.2016 O=C1C2C3CC4C3C2C14,0.2193 CCC1C2C3CC1OC23,0.3175 N#CC1=CC2CC2CC1,0.2071 C#CC1CC1CCC#N,0.2873 CC(C)COC(=O)C#N,0.2471 Cc1c(c(c[nH]1)O)C#C,0.2057 C(C#N)NC=NCC#N,0.2581 NC1=NON=NC1=N,0.1636 CC(C)CC1C2COC12,0.3076 C1C(=O)C(=O)CN1C=O,0.1427 O1C2C3OC4C1C4OC23,0.2346 CC1CC1CCC#C,0.3132 Cn1ccc2c1[nH]nc2,0.2231 OCCN1CC1C1CN1,0.304 N=CN1CCC(=O)C1=N,0.1692 CCOCC1(CC)CN1,0.3152 c1cn(c(=O)cn1)C=O,0.1551 C1C2C1C1CC2C11CO1,0.3411 CCC1CCC1(O)C#N,0.3058 CC1(C#N)C2C(O)CN12,0.2785 OC1(CC11CCO1)C#C,0.2558 CC(C)C1NC1CO,0.3189 C1C(=NO)CNC1=O,0.2392 CC1OCC1NCC#N,0.2661 CC1OC2(CO)CNC12,0.289 OCC1=CC2CCC2C1,0.257 CC(C=O)C(=O)OC=N,0.2158 CCC1C(CO)C1OC,0.3071 CC(=O)OC1(CC1)C,0.277 Cc1ncnc(n1)O,0.2286 C1CC2OCCOC2C1,0.3145 O=C1C2CC2C1C1CN1,0.2154 CCC1(O)COC=NC1,0.2628 C#CC1C2COC1OC2,0.2949 C#CC1OC2CC12C#N,0.2598 OC12CC3OC1C23,0.2898 CC1(O)CC2CC2C=C1,0.2484 CC12C3C4OC1C4C23C,0.3219 C#CCc1ccc[nH]1,0.2416 CN1CC2CC1C2=O,0.2036 CC(O)(C#C)C1CO1,0.2892 CC12CC3C1C=CC23,0.2263 CC(C)C12CC1OC2=O,0.276 CN(CCC#C)CC#N,0.2602 CC12CC(CO1)CC2O,0.3187 COCC(O)CC#C,0.3051 CCC1C2OC2C1O,0.323 CCNc1cc([nH]n1)N,0.2291 C#CCNc1ccn[nH]1,0.2391 OC12CCC1COCC2,0.3151 COC(=N)CC#CCO,0.2827 CC(=O)C(O)CC1CC1,0.2324 CC1CC2OC1C1CC21,0.343 C1C2OC3OC12CC=C3,0.2408 OCC1C2CC3(CC3)C12,0.316 CC1C2COC(C)=NC12,0.2535 Cc1cc(no1)C#N,0.2243 CC1CC11OC2CC12C,0.303 CCC(C)C1(C)CC1C,0.3356 CCc1cc(no1)OC,0.2473 CCC12OC(C1C)C2C,0.3175 C#Cc1nc(on1)C=O,0.1812 CC12CC3OC(C1)OC23,0.3454 O=C1OC2C3N4CC13C24,0.2327 C1C2C3C1N1C3C=CC21,0.2239 CC1(N)CC(=N)OC1=O,0.2432 CCCn1cc(nn1)N,0.2155 CCc1c(nno1)O,0.2017 CC(C)(CC(=O)N)CO,0.2709 CN1CC1C1CC(=O)N1,0.2674 COC(C)C(C)CC#C,0.308 CC1COCC2(C)NC12,0.3085 O=C1CN2CC2C2CN12,0.2268 OC12C3C1C1OC2OC31,0.3174 OC1C2C(C#C)N2C1=N,0.2352 CCC(C)(C=O)C(N)=O,0.2017 CC12OCC34CC(C13)C24,0.3188 CC1CCC(=N)OC1C,0.2765 CC12C3C4C(N13)C24O,0.267 OC1C(O)C11NCC1=O,0.2013 CC1(C)C2OC3C2OC13,0.3007 CC1OCCC1O,0.302 CCCC1OC(=O)C1N,0.2497 COC1C2CCN2C1=O,0.2203 C1C2CC=CC3OC1C23,0.2434 O=C1NC(C#C)C11CN1,0.2612 OC1CC(=O)C11CN1,0.2064 CC#CC(CO)(CO)O,0.2745 CC#CC1(CC(=O)C1)C,0.2164 CC1CC2=NC(O)=CN12,0.224 C1CC11N=C2NC3C2C13,0.1582 C#CCC1C2COC12,0.2977 CC12C(O)C1C=CC2=O,0.1798 CC(=O)CCC(F)(F)F,0.2365 COC1CN=C(O1)C#C,0.2229 OC1CCC2OC2C1=O,0.1999 CC1C(O)CCCC1=O,0.2256 C1CC1C(=N)NC=O,0.2331 C1CC2C3OCC2C1O3,0.3298 C(c1c([nH]c(=O)[nH]1)O)O,0.2224 CCC1NC1C#CC=O,0.2011 N=COC1CNC1=O,0.2583 CC1OC(=N)C2C(O)C12,0.2676 OC1C(C#C)C11COC1,0.273 CC1C2(C)CCC12C,0.3192 CC1(CC(C1)C=O)C#N,0.2221 COC1CC2C(CO)C12,0.3211 CNC1(C)COC1=O,0.2455 CN1CC(N)(C#N)C1=O,0.2417 c1[nH]c2c(n1)c(n[nH]2)O,0.2268 O=C1C2CC3(COC13)O2,0.1981 COCC12NC3C1OC23,0.2949 N#CC#CC12CN(C1)C2,0.2115 CCC1(C)CC2(O)CC12,0.3263 CC(C)C12C3C4C1N4C23,0.2783 [NH3+]C1(CC1CO)C([O-])=O,0.2669 CCC12C3OC1C(O)C23,0.2959 C1CC2(CN3CCC23)O1,0.2788 c1cn(cn1)CCCO,0.2531 N=C1C=CN=C2CCN12,0.1829 CC1(CC1)n2cccc2,0.2456 CC1N2CC1(O)C2C#N,0.2703 CC(C)(C#N)C1CC1,0.3407 CC12CC3(C1)OCC3O2,0.299 COCC1(CN1)C1CO1,0.3175 O=CC1C=C2CC3C1C23,0.171 COC(=O)N1CC1C=O,0.212 OC1C2CC3OC2C13,0.3077 C(#N)c1c(c([nH]n1)N)O,0.2015 CCC1(COC1=O)OC,0.2586 CC#CC(C)CC(C)=O,0.2239 CC#CC(=O)C(C)O,0.2034 OC1C=C2CC3(O)C1C23,0.1782 CC(C=O)C1OC1C#N,0.223 Cc1c(c(n(n1)C)C)N,0.234 CC1CC2OC2C11CN1,0.3133 CN(C)CCC(=O)C#N,0.1415 CC1C2N(C)C(=O)C12C,0.2466 CC1OC(=O)C2CC12O,0.2693 CC(C)C1CC1C(C)=O,0.2293 O=C1CC2N3CC3C2=C1,0.1881 Cn1c(=O)c(cnn1)F,0.1862 N=C1OCC11CN1,0.2698 CC1=C(CC(O)C1)C#N,0.2173 COC(CO)CO,0.3127 CC1NC11CC2(CO2)C1,0.3043 CCC1N(C)C(C)C1=O,0.208 CC1OC11C2C3CC1N23,0.3148 CC1C2OC3C1(O)C23O,0.2765 CC1CC2(CN12)C=O,0.2137 CC1(OC2C(O)C12)C=O,0.2041 CC12CCC1CC21CO1,0.327 NC12CC(C1)OC2=O,0.2537 CNc1conc1C#C,0.1804 CC1(O)CC(=NO)C1O,0.2455 C1CC2OCCN=C2N1,0.2499 c1nc(n(n1)CCO)N,0.2451 Cc1c(cn[nH]1)N(C)C,0.2378 CCC1CC1(C)C1CC1,0.3381 COC1=NCC(=O)N1,0.2474 CC12CC1C1C(C#C)N21,0.2415 N#CC12CN3C(C=C1)C23,0.2286 CC12COC(C1)OC2=O,0.2748 Cc1nc(on1)OC,0.2606 OC12CN(C1)C21CCC1,0.3108 CC12CN3CC4C(C13)N24,0.2735 CC#CC1CC(C)C1C,0.2934 CC1N=C(C)OCC1=O,0.2081 OC1C2OCC(=O)OC12,0.244 COC1CC2(C)CC1O2,0.3242 CC12CCC1(N2)C=O,0.2183 Cn1c(=O)ocn1,0.2392 CC#CC1(O)COC1=N,0.2609 CC1=CC(=O)C2CC12O,0.1866 C1CC23OCC4C2N4C13,0.3008 CC1CC2CCCC=C12,0.2564 CC12CCC(O1)C(O)C2,0.3175 CCC1C(O)C1C#N,0.2987 CC1C2C(O)C1C21CO1,0.3256 Cc1cc(on1)C#N,0.2161 COC12CC1OCC2C,0.3012 N=C1OC23CC(C2)OC13,0.2636 CC1(CC2CN2C1)C#N,0.2797 CCC1=NCC(C)O1,0.2699 C#Cc1ccoc1,0.2173 CC1(C)OC1(CN)C#N,0.2633 CC12C3C4C(C1C3O)N24,0.2976 CC1C2OCC2(O)C1=O,0.2133 CNC(=O)CN1CCC1,0.2656 CCC1C=CCC1(C)O,0.26 CC1C2OCC3(CO3)C12,0.3133 CC1COC1C(O)C#C,0.2682 CC1CC=C(CO)C1=O,0.1979 COCC#CCNC=O,0.2701 CC1=CN2CC2CC1=O,0.1813 FC1=NC(F)=NC(=N)O1,0.2153 c1c(=NO)cn[nH]c1F,0.1557 CC1CC2NC2C1C=O,0.2162 C1NC1C12CN1C1CC21,0.2847 CC1CC(C)(O)C2CN12,0.2976 CCC1OC(C=O)C1=O,0.2023 CC1C2CC1(CO2)C=O,0.2137 CCCC(=N)OC(C)=O,0.2439 CC1NC1C(C)=O,0.2228 C1CC(=O)C=C1,0.1938 O=C1OC2CC2C1C#C,0.2637 N=C1OCCC(O1)C=O,0.2083 CC1CC(N)(C=C1)C#N,0.2591 Cc1cnc(=O)[nH]c1C,0.174 CN1C(=O)CC=C1C#C,0.1774 CC1(O)CCC1C(N)=O,0.27 C#CC12OC1C1CCC21,0.2572 CC1CC1N1N=CN=N1,0.2494 CC1(O)C2C(=O)NC12C,0.2508 OC1(CCN2CC12)C#C,0.2588 CC12OC3CC(C13)C2=O,0.2017 CC(C)C1(CC1)NC=O,0.2758 CC(=O)C(=N)NC(=O)C,0.1654 CCn1cncnc1=O,0.2013 OC1=NC=CC=CC1=N,0.1515 OC12CC1CC=C2C#N,0.2081 OC1CCC(=C1)C#C,0.209 CC[NH2+]C(C)C([O-])=O,0.2681 CC1N2C3C2(C)CC13O,0.2983 C#CCC1(CCO1)C#N,0.2721 CC1OCC2NC1C2=O,0.2242 CC1CC2CC1(C2)C#C,0.3001 CCN1CC2(C1=O)CC2,0.2734 C1C2C=CC3CC3C12,0.2465 CCC1C(=O)C=CC1=O,0.154 CC1CCCC1C1CO1,0.3392 C1OCC2CC1CC=C2,0.2652 CC1(CCN=CO1)C,0.2765 CC1(O)CC2(CC2)C1O,0.3191 CN1C(=O)C2CC12C,0.2477 OCC(O)C1CC(=N)O1,0.2817 O=C1CC(CCC#C)O1,0.2762 CN1C2C1C1CC2CO1,0.3065 CCCc1cccnc1,0.228 OCC1(CC(=O)O1)C#C,0.276 CC12C3CC1C3C21CO1,0.3475 CC1C(O)C11OCC1=O,0.2122 C1C2OC22CC1CC=C2,0.2399 CC1C2C3C=CC2(C)N13,0.2066 CC1C2C3N1CC23C,0.3037 CC#CC1(C)CC1(C)O,0.2809 COC1COC(C)CO1,0.3275 CCC1CC2(CC12)OC,0.3283 CC1CC(N(C)C)C1=O,0.1925 CCc1nc(co1)CO,0.24 OC12C3OC1C3NC2=N,0.243 C(C(=N)NC(=N)C=O)O,0.1655 CC12CCC1(C)C(=N)O2,0.2866 CC1C2COC1(C)OC2,0.3248 CC1C=C(CO)NC1=O,0.2115 CNC(=O)C1(C)CCO1,0.2667 OCCC12NC3C1NC23,0.2869 CC1(OC1C1CN1)C=O,0.2137 CCC1CC11COC1=O,0.2783 c1nn(c(=O)o1)C2CC2,0.228 CC1CC2C3OC(C1)C23,0.3064 N=C1N2C3CC1(C#N)C23,0.2687 CC(O)C1CCOCO1,0.343 OCC1CC(CO1)C#C,0.2975 CC1OC2(CC12O)C=O,0.2167 O=CN1C2CC(C2)C1=O,0.2231 OCCOC(C=O)C#C,0.2066 CC1C2C3CC3N12,0.2781 CC(NC=O)C1CO1,0.2812 CCC1(CC(=O)C1)C=O,0.2148 C1CC1C2(CC2)OC=O,0.2595 CCC(O)C(C)(O)C#N,0.2938 CCC1(CC1C)NC=O,0.2745 CC#Cc1cnn(n1)C,0.2141 CCC1CC2CC(C2)C1,0.3508 OC1=NC(=N)C=C(F)O1,0.2209 OC12CCC34OC(C13)C24,0.2907 OC(C#N)C(=O)NC=N,0.2297 N=C1NC(=NC=N1)C#C,0.1539 CN1C2CCC3OC2C13,0.2827 CC1=CCC2CCCC12,0.26 OCC#CC12CC1OC2,0.2499 O=CC12CC1C(=O)NC2,0.2163 CC1(O)C(O)CCC1O,0.3164 O=C1OC23COC2CC13,0.2633 CC(C)C1CC(O1)C#N,0.2787 c1cn(c(n1)O)C2CC2,0.2455 c1c[nH]c2c1cc([nH]2)O,0.2211 CC(O)C(=O)C#CC#N,0.1716 CC1=C(COC1)CC#C,0.243 C1CC1OCCCO,0.3213 C#CC(C=O)C#C,0.2157 C1OC2C3OC12CC=C3,0.2307 CCN=CNC(=O)OC,0.2495 CCN1N=CC=CC1=N,0.1521 O=C1C2C3CC1(C#N)C23,0.241 C1C2C3C1C21C=CCC31,0.2427 CC1C=C(C)C(C)C1C,0.2548 COCC1CC1OC,0.3334 CC(=O)C(C(=O)C)O,0.2019 CC12NC1C=CC2C=O,0.2067 N=C1OCC2(CO2)C=C1,0.2054 CC(=O)CC1=NCCO1,0.2337 CCC(=O)NC(C)C#C,0.2706 CC12C3C4C3C1C(O)C24,0.3083 COC1C2CC3OC2C13,0.3198 Cc1c[nH]c2c1[nH]cn2,0.2087 CC1(O)CC1CC#C,0.3038 C1CC1C#CC1CO1,0.2636 CC1NCC2CC2C1=O,0.1956 CC1C2C(C=O)C2C1=O,0.2073 C1C(N=CO1)(CO)CO,0.2546 CCC1(CC(=O)O1)C=O,0.2212 CC#CC(N)C(F)(F)F,0.2927 O=CC#CC(=O)C1CO1,0.1953 CC1(C)OC2CCC12C,0.3103 CNc1ccon1,0.2223 CCCCC1CNC1=O,0.2804 O=C1NC23CC2(CC3)N1,0.2807 CC1CC(C=O)=CCO1,0.1962 CC1C2(C)CCC12C#C,0.2629 CCC1(C)C2OC1C=C2,0.2308 N=C1CCCCCO1,0.2766 CC1CC2(CO)CCC12,0.3285 CCCCCOCC,0.3377 C1Cc2c(nc([nH]2)O)C1,0.2432 CC(O)C(O)C(O)CO,0.2877 CNc1cnc(nn1)N,0.1464 CCc1c(nc(o1)O)O,0.229 CC1CCC(=O)CC1,0.2232 CC12C3C4C(C(O)C13)N24,0.2986 CC1OC1CC(F)(F)F,0.3591 NC1=NNC=NC1=N,0.1878 c1nnc2n1c(no2)O,0.2257 CCNc1c[nH]nn1,0.2091 CNC1CC(C)OC1=O,0.2455 COC1C2OCC12C#C,0.2584 C#CC1C2CCCN12,0.2577 OCC1(CC1O)C1CC1,0.3134 c1c2cnoc2oc1N,0.2168 CC1C2CC1(C)OC=N2,0.262 CC1COC(CC#N)C1,0.2961 N#CCCOCC1CO1,0.3072 OCCC1OCC2NC12,0.3106 C1C2C3OC22CCCC132,0.2999 OC1CC(C2CN2)C1=O,0.2091 COC(C)(C=O)C(N)=O,0.1949 C1CC12C(=O)OCO2,0.2609 OCC1CC(=O)C(=N)N1,0.1744 OCC1C2OC3C2C13O,0.2733 CC12COC11CN2CC1,0.2612 c1cc(nc(c1)N)C#N,0.1776 OC1C2OC3C2COC13,0.2927 CN1C=NC2(CC12)C#N,0.238 CC1N=COC1C1CC1,0.2693 OCC12CC(C1)(O2)C#N,0.2596 c1nc2n(n1)CCC2=O,0.1993 CC1(CCCC1)COC,0.3253 CC1CC2COC1C2=O,0.2072 CC12COC1(CO2)C#N,0.2545 CC1CC2(O1)C1COC21,0.2761 CC#CC1OCC1C,0.2718 CC1CC2OC12C#C,0.2631 Cc1c(cc([nH]1)C#C)O,0.1829 c1[nH]c(c(n1)O)CC=O,0.1588 OCC1CC(O)C1C=O,0.2116 CCc1cncc(n1)F,0.2069 O=CC1C2OC3(CC3)C12,0.215 CCC1=CC2OC2C1,0.2413 CCC1(CC=O)CC1C,0.2238 C#Cc1cc(oc1O)N,0.2093 CC12CCC1C=CCC2,0.2621 CC1=COC(=N)C=N1,0.1594 CC1=CCC(CC#C)C1,0.2603 CC12CN3C(C13)C2CO,0.301 C#CCN1C2C3NC2C13,0.2611 OC1C2C3CC2(O)C13O,0.3085 CC1=CC(=NO)C2CC12,0.1853 CC1(C)C(=N)OCC1=O,0.2181 CC12CCC1CC(=O)C2,0.2226 O=C1CC23CC4C2C1N34,0.2182 N#CC12CN1CCCC2,0.2677 OC1C2N=CN(C=N)C12,0.1998 CCC(CC(C)C)C#C,0.3135 C1C23COCC12C1OC31,0.2724 O=C1NC2CC2C=C1,0.2042 CC12COCC1C1OC21,0.3127 C1C=CC=CC(=O)N1,0.1802 CC1COC(=N1)C1CC1,0.2592 CC(O)CC#CC#C,0.2281 OC1C=CN2C=CC=C12,0.1865 O=C1C=CCOC1C#C,0.1765 CN1CC1CCC#N,0.2715 C1C2OC2C2=NOC=C12,0.2425 CC(O)C1(C)NC1(C)C,0.3 CC#CC1CCC2CN12,0.2792 CCC1=CCOCCC1,0.2464 Cc1ncc(nn1)NC,0.165 CN1CC11COCC1=O,0.2005 OCC12CC1CC2C#N,0.2973 CC(C)(C#CCC#N)O,0.2867 CC(=O)CC(=O)COC,0.2082 N=COCC#CCC#N,0.2745 O=C1CC2C(C3CN3)N12,0.2333 CN=c1[nH]c(=O)nno1,0.1595 COC1C2C1C(=O)C2C,0.2268 CC(CN1CC1C)C=O,0.2066 CCCNC(=N)C=O,0.1698 Cc1nc(cn1C)O,0.2223 CC1(CN1CC#C)C#N,0.2705 O=C1CC2C1CCC2=O,0.21 CC1CN=C(N1)C=O,0.1646 CCC12CC(C)(O1)C2O,0.3292 N=C1OC=CC(=N1)C#N,0.1487 CC#CC1CC(CO)O1,0.2686 C(CN(C=O)C=O)C#N,0.2153 CC1C2(C)CCOC12C,0.3067 CC12CC(C1)C(O)C2=O,0.2183 COC(CO)CC1CC1,0.3235 CC1CCC(C=O)C=C1,0.2097 CC(O)C1=NOC=N1,0.2461 CC1=CCN2CC12C#N,0.2357 O=CC1=CNCC2OC12,0.1869 CC1(CO)C2C3CC2C13,0.3353 CC1(C#N)C2CN=CN12,0.2318 O=CC1CO1,0.2217 CC12CC1(OC2=O)C#C,0.2437 CC1C=CC2=NC=NN12,0.196 OCC#CC1C2CCN12,0.2476 c1(c(c([nH]c1O)O)N)N,0.2126 N=COC1=CN=CN=C1,0.2032 C(C=O)C#CC#N,0.217 CNC(=O)C1CCC1O,0.2645 O=C1OCC=C2CCC12,0.2402 C#CC1COCC11CN1,0.2829 C[NH2+]CC(C)C([O-])=O,0.1479 CC1OC2=NCC(C)C12,0.269 COCCC1(C)CCO1,0.3195 OC1C2OCC11COC21,0.3038 COC1C(O)CC1=NO,0.2441 c1[nH]c2c(n1)NCCC2,0.2154 CC1C2CC2C=C1C,0.2439 c1cncnc1O,0.2284 [NH3+]C1(CC1O)C([O-])=O,0.2677 C#CC1NC=NC11CC1,0.2337 CCC1(CC2NC12)C#C,0.2848 OC1CC2C3CN3CC12,0.2778 CC12CC1C1(O)CC21O,0.263 CC12NC3=NCC1(N)C23,0.1764 CC(C)(CC=O)C(=O)N,0.2177 Cc1cncc(n1)C#N,0.1888 CC1OCC(O)C1C,0.3038 Cc1nc(=O)nnn1C,0.1688 CC(O)C1CCCOC1,0.3089 O=CN1CC2CC2C1=O,0.2187 C1CC2OC3CC2C1O3,0.3283 CC12C3OC1C3OC2=O,0.2419 NC(=O)C1(CC1O)C#N,0.2554 OCC1NC(=O)C11CN1,0.2597 C1CC(C1)N=C(C=O)N,0.1803 CC1=CC2(CN2)C(=O)N1,0.1961 N#CC12CN1CCOC2,0.2635 CC12CC1NC(CO)=N2,0.2483 c1(c(=O)[nH]nc(n1)F)N,0.177 CC1C2COC(C)C12O,0.3176 CC1(CO1)C(=O)C#C,0.1979 C1CC2=CC3OCC3C12,0.246 Cn1cnc(c1O)C#C,0.2176 Cc1cnc(o1)N=CN,0.1805 C#CC12OC3C4C3C1C24,0.2661 CC1NCCOC1=O,0.252 CC1NC(=O)C1OC=N,0.2591 C#CC(CC=O)CC=O,0.2095 C1C2OC3OCCC2C13,0.3319 O=CN1C2CC2NC1=O,0.2383 CC#CCC1CC2CC12,0.3004 OC(C1CN1)C1CCC1,0.2883 CCCC1C2CC2C1C,0.3347 OC1CC2NC2C11CC1,0.3125 CC1C(C=O)C1(C)C#C,0.2142 CC1C2CC2C1C(C)=O,0.2189 CC12CC3CC1(C)C23,0.3269 O=C1OC2C3CN3CC12,0.2458 Cn1cc(cc1O)C#N,0.2092 CC(O)C1=COC(=N)N1,0.2128 CCC(O)C(N)C#N,0.2972 N#CC1CC1CN1CC1,0.2727 OC1C(O)C1(C#N)C#N,0.2634 CC1(N)COC1(C)C#N,0.2647 c1cc2n(c1)CCC=C2,0.1774 O=C1CC2NC1CC=C2,0.202 OC1CC2CC(O)CC12,0.2948 C1CN=C(C(=O)C=C1)N,0.1545 C1NC11C2COCC1N2,0.2987 C#CC1CCCC1C#N,0.2964 CC12CC3CN3CC1O2,0.3079 CN1CC2CC1(C2)C#N,0.2489 COC1C(O)CC1C#C,0.294 CN1C(=N)C2NC2C1=O,0.2299 CC1CC(=O)CNC1=O,0.2196 CN1CC2CC(=NO)C12,0.2184 CC(CC#N)C1CCO1,0.2975 C1CC23OC12CC=C3,0.2314 OCC1(CN2CC2)CO1,0.3183 CC12OC3C1C1(CC1)C23,0.321 CC1(COCCOC1)C,0.3193 CCCC1C(C)C1CO,0.3272 C1CC11N=COC2CC12,0.2557 CC1CC(O)C(CO)O1,0.3033 CN=C1NC=NC(C)=N1,0.1724 Cn1c(coc1=O)C#N,0.189 c1c([nH]nc1N)C=O,0.1572 CC1C2CC3CC2C1O3,0.3191 CC1OC(=O)C(O)C1=O,0.2108 C#CC12OCC3OC1C23,0.2412 CCC12CC1CCC=C2,0.2512 CCC1(O)CC2OCC12,0.3053 CC1OC1COC=O,0.2798 CN1C=NOC(=N)C1=O,0.1948 CCC(O)C#CCOC,0.284 CN=C1NC2(CC2)C1O,0.2488 CCc1cnn(c1C)C,0.2492 CC1COCC1NC=O,0.2746 N=C1ON=CN1CC#N,0.2265 CC1OC(=N)C(CO)=C1,0.2204 C#CC12CCC1C1NC21,0.2683 CC1=CCC2N=COC12,0.258 O=CN1C2CC1CCC2,0.2661 CC(O)C12CC1C(=N)O2,0.2777 CN(CCC#C)CC=O,0.2038 CC12CCOC1=NCC2,0.2716 C#CC1CC2CCCC12,0.304 C1C2CC3OC3COC12,0.3059 C1CC11N=C2OC3C2C13,0.1503 [NH3+]C1(C2COC12)C([O-])=O,0.2651 OCC1(O)C2OC2C1=O,0.2 CC1OC2C(CC#C)C12,0.2936 CCC12OCC1C2(C)C,0.2999 CC1=CC(=O)OC=NC1,0.212 CC(C)C1(O)C(C)C1C,0.3103 C1C2CC3OC=NC2C13,0.2617 Cn1cncc1CCO,0.2454 CCCC1CCC1(C)O,0.3267 COC12CC1C1CC1C2,0.3243 CC1CNC(=N)C1=O,0.186 ON=C1CC2CC12C=O,0.2098 CC12CCC=CC1CO2,0.2579 N=C1OC2C3C4OC13C24,0.2628 OC1CC2CC1(N2)C#N,0.2687 OCC12CN1CCC2O,0.2843 CNc1ccc[nH]1,0.2386 c1c(=NO)c(con1)N,0.1516 CC1CC(CO)OC1=N,0.2803 CC1C2C3C(CO)C2N13,0.2978 C1C2C3CCOCC1N23,0.3067 CC12CC(CO1)C(=N)O2,0.2854 CC1OC1C1=CCOC1,0.2319 C1CNc2c1c(on2)N,0.2353 CC1=C(CCNC1=O)N,0.2026 CC1CCOC(=O)N1,0.3042 COC12C3NC(C13)C2=O,0.2177 CC1OC(=O)C2NC12C,0.2505 CC(=O)OC=NC1CC1,0.2318 C#CC1CN2CC12C#N,0.2543 C1C2CC3COCOC123,0.3282 C1C2OC3COC3=NC12,0.2448 C1CC=C(CC=C1)C=O,0.1954 C1CC23NC4C(OC24)C13,0.2877 CNc1cc([nH]n1)C#N,0.1761 CC1C(=O)CC1(C)C=O,0.2111 CC1CC(C)(C1)C(N)=O,0.2717 CCC1(CC)C(O)C1O,0.2809 CCCC(C)C(C)OC,0.3329 C1CN1C1C2C3CC1C23,0.3188 CCC1(CN2CC2)CO1,0.3191 CCCNc1cc[nH]c1,0.2276 CCOC1CC(O)C1C,0.3206 Cn1c(cc(n1)N)CO,0.2139 COC1COC2(C)CC12,0.3108 CC(NCC1CC1)C#N,0.2696 CC1(CCC1)C(C)(C)C,0.3453 CC1CC2(C)C(C#C)N12,0.2545 CC1=NC=C(O)C(=N)O1,0.1762 CCn1cc(c(c1)O)C,0.2324 CNC=NC(C=O)C#N,0.2021 c1c(cc(nc1F)F)N,0.2356 C#CC(=O)NC(=N)CO,0.2005 N=C1NN=CN=CC1=O,0.1412 C1C2C3CC4C=CC13N24,0.2318 CC12CC(CC11CN1)O2,0.3072 C1NC11C2CC3CC1N23,0.2841 CC12CC1C=CCC2O,0.2444 N#CC12CN1CC1CC21,0.2619 Cc1c(oc(n1)CO)C,0.2339 O=C1CC2CC3CN1C23,0.2455 CC#CC(C#C)C#CC,0.2844 CC(CCO)C1CCO1,0.3228 c1c(cc(nc1O)F)F,0.2276 CC(O)CN(C)C=O,0.2665 O=COC1CC2COC12,0.2702 COCCC1(C)OC1C,0.3411 CC(=O)C#CC1CO1,0.2045 CC1OC(=O)NC(C)=C1,0.2282 OC12CCCC1OCC2,0.3206 CC1CC1C1(CO1)C=O,0.2175 CC1CC2N1C2(C)C=O,0.2181 CCCCOCCO,0.3434 OC1CC1C1OC1C=O,0.2158 CC1(CO)C2COCC12,0.3112 CC(C)(C)c1cnco1,0.2431 CCCOC1OCC=C1,0.2617 CCC(C#N)C1(C)CO1,0.3113 OC1CC(C#N)C(=O)C1,0.2208 CC1(O)CN2CC2C1O,0.2944 Cc1c(=NO)cn[nH]n1,0.1638 c1nc(on1)NC=O,0.2264 c1c(oc(c1N)N)CO,0.209 CCCCCOC1CC1,0.3312 CC1(C)CC2OC2C=C1,0.2475 CCc1ccc(n1C)C,0.2312 CN1CC(C1)(C=O)O,0.1781 O=C1C2CC(C2)C1=O,0.1539 CCC1(O)COCC1C,0.3053 CCC(CO)(C=O)C#C,0.2219 CC1(C)CC(O)C11CC1,0.3274 C1OC2C3CCOC1C23,0.3077 C1CC23OC2C=CCC13,0.246 OC1C=CC(O)C1C#C,0.2641 O=C1C2CC2CC11CN1,0.2253 CC(O)C1=CC=NN1,0.2566 CC1CC1CCCO,0.3417 CC1=NC(OC=N)=NO1,0.2388 Cc1c(oc(=NC)[nH]1)C,0.218 C1C2OC3C4CN1C2C34,0.2955 CC1CC2(C)NC2CO1,0.3077 CC(=O)C(O)CC1CN1,0.2136 CC12NC3C(C=C1)C23O,0.2253 CC1OCC2=C1N=NN2,0.2353 CC1OC(=O)C(C)=C1,0.2301 O=C1CC2OC12,0.2179 OC1CC1C1CCC1,0.3312 O=COC12CCC1OC2,0.2559 C#CCN1CCC1C#N,0.2501 O=C1COCC2CC1C2,0.2142 CC1(C=O)C2NC(=O)C12,0.2035 CC1C=C(C)C2CCC12,0.254 C1CC12CCNC(=O)C2,0.268 CC12CC3C1C3(CO)C2,0.3152 CC1(C)[NH2+]CC1C([O-])=O,0.2725 C1CC2C3C4C3C(=C1)C24,0.2107 Cc1[nH]c(c(n1)OC)N,0.2211 Cc1c(cn(c1N)C)N,0.2249 COC(=O)COCC=O,0.2289 CC1=CCCNC1C#N,0.2435 N=C1ON=CC(C=O)=C1,0.1466 CC1C=CC2C(C=O)C12,0.2122 c1c(c(on1)CN)CO,0.24 CC1C2CC1(O2)C(C)=O,0.2197 CCCC(O)(CN)C#N,0.3027 [O-]C(=O)C1(CC[NH2+]1)C#C,0.2533 CCC(C)O,0.335 CC12COC(O1)C1NC21,0.3123 CC1(CC(O)CO1)C=O,0.214 CC1OC1(C)C1(O)CC1,0.3185 OCCNC1COC1=O,0.244 CC1(C)OCCOC1=N,0.2724 CC1(CCCC1)C(=O)N,0.2732 OC1C2CC(C=O)C12O,0.2225 CC(O)CC1OCC1C,0.3153 Cc1ncnc(n1)C,0.2185 CC1(O)CC2C(O)CC12,0.3187 O=C1CCC2CC3C1N23,0.217 CCC12CC(O)CC1O2,0.3365 CCn1cc(c(c1)C)C,0.2451 CC(C)Cn1cccc1,0.2462 CC12CCC(OC1)OC2,0.315 NC1C(=N)OC11CC1,0.2683 O=CC1CN=COCO1,0.2088 N#CCC1OCC11CC1,0.2933 CC1(O)CC11COC=N1,0.237 CC(C)CCC(C)(C)O,0.3251 CN1CC11COCC=C1,0.2393 N=C1CC2OC(O1)C=C2,0.2438 N=C1ON=C(CC=O)O1,0.2148 OCC1OCCCC1=O,0.2103 COCCN=COC,0.2572 CC1OC2(C)C1C2(C)C,0.3103 CC1=C(C)C2NC1C2O,0.2284 ON=C1C(O)CCC1=O,0.1654 OC1CN=C2OCC12,0.2648 CC1C2CC(C)C(=O)N12,0.239 N#CCC12C3CN1CC23,0.2704 CC1C2OC2C11CCC1,0.3359 CCC1CC2NC12C#N,0.2606 CC1=NC=NC(=N)O1,0.1839 O=CC1=CCCC1C#N,0.1921 CC1(CO)OCC2NC12,0.311 CC(O)CCOCC#C,0.2878 CCn1c(cc(n1)N)O,0.2445 CCOCC1(C)CN1C,0.3004 FC1=CC(=N)NN=N1,0.1612 OC(COCC#N)C#C,0.2656 OC(C=O)C1CCC1O,0.2128 CC1N=C(C)OC11CC1,0.2595 CC1CCC1C(C)=O,0.2271 CC1COCC1=NO,0.2518 CC12C(O)C1C1CC21O,0.275 C1OC11CC2C3NC3C12,0.2911 CC1(O)CC1(O)C=O,0.2178 C1C=CCNCC1=O,0.2125 O=C1C2CC2C11CO1,0.217 CC1(CO)C2OC(=N)C12,0.2737 c1c2ncncn2cn1,0.1579 CCOCCC(O)CC,0.3172 CC1(CC1)CC#CC#N,0.2451 CC(C)C12CC(C1)CC2,0.3599 CCc1c([nH]c(=O)[nH]1)C,0.2278 CC#Cc1[nH]cc(n1)N,0.179 O=C1NCC2CC2CO1,0.2972 NC1C(N)C1(N)C(N)=O,0.2356 N=COCC1=COC=N1,0.2479 CC1(CCCC1=O)C,0.22 C1=CC=CC=CC=C1,0.1583 COCCN1CC1C#N,0.2684 CC(=O)C1C2C3CC2N13,0.2207 CCC(CO)OC1CC1,0.3265 CCC(CC)C(=NO)C,0.2562 CCC(=O)CNCC#N,0.2149 c1c(n[nH]n1)C2COC2,0.2425 CCOC1CC1(C)C=O,0.2216 CC1C2OC3(C)C2C13O,0.2786 CCC1C(CC)C1CC,0.3351 C1NC11CC2OC=NC12,0.2558 CC12CC1(C)C(O)CC2,0.3168 CC1CN=C(C)N1C=O,0.2253 CCc1nccn1CC,0.2455 CC1NC1CC(O)CO,0.305 OCC(NCC=O)C#C,0.2135 CN=c1occ(o1)O,0.2498 OC1CCCCC11CO1,0.3096 OCC1C2OCC3C2N13,0.3013 CC12CN3C1C1NC1C23,0.2953 CC1(C)CCC(CO)O1,0.3163 CCC12CC3(O)C1OC23,0.2994 CC1OCC11NC1(C)C,0.3011 CCC1(CC)CCC1C,0.3479 c1c2c([nH]n1)CCC2,0.2478 O=CC1CNC(=O)CN1,0.1871 CC1(C)CN(C=O)C1=N,0.2292 CC1=NC(C#N)C2CN12,0.248 OCC1NC1C(O)C#N,0.2693 CC(=NO)CCCOC,0.2564 CC12CC1C(CC#C)O2,0.285 CC1C2CCC(C)C1O2,0.3043 CC(CCO)OC=O,0.2759 OCC1C2CC1(O)CO2,0.2961 COCCOCCC=O,0.2283 CCc1cn(nc1C)C,0.2504 COCC(C)C(=O)CO,0.2321 C#CC1C2C3CCN1C23,0.2517 COC1(C)C2C3CN3C12,0.2789 C1CC1N(CC#N)C=O,0.2537 CCOC(=O)C(O)C=O,0.2213 CC(=O)CC1(CO1)C#N,0.2284 C#CCC(=O)CCO,0.2329 CC1=CC2OC1C2CO,0.2339 CC12OC1COCC2O,0.3091 CC12CC(O1)C21CN1,0.305 O=C1CC2CCC(C2)N1,0.2672 CC12C3C1C1C3CCC21,0.3248 CCC#CC(O)C1CC1,0.2895 C1=CC=CNC(=O)C=C1,0.1668 CCC(CC=O)C#C,0.2242 CC1C=CC2CC1CO2,0.2465 CNC(=O)C1CC1C#N,0.2653 CN(C=O)C1CCC1=O,0.2021 CC12NC(=N)C1(O)C2N,0.2345 CCC12OC(C1O)C2O,0.3039 CC12CN3C1C(O)C23,0.2908 OC1C2CC3C(O)C3C12,0.2798 NC1C2NC2C1(N)C#N,0.2559 OC(CCC#N)C#C,0.2974 OC12CCC1OC(=N)C2,0.2806 C1CC2=CCCCOC12,0.2457 C1C2OC3C2OCCC13,0.3132 CNC=Nc1nnon1,0.1889 c1c(n2c(n1)CC=C2)O,0.1886 c1nc-2n[nH]nnc2n1,0.1648 OC1CC2(CN2C=O)C1,0.2508 CC1=CNCCC1=O,0.1826 CCC12CC1(C)OCO2,0.3067 COc1ncc(o1)CO,0.2359 Cc1c(c(oc1N)N)C,0.2272 CCC1(C)CCC(=N)O1,0.2844 NC(=N)C(N)(C#C)C#N,0.2481 NC1(C#N)C2C3CC1C23,0.2815 CC1OC(=O)C1O,0.2629 CCC1C2C3NC3C12C,0.2772 C1CC12COC(=N2)C#N,0.198 CN=C1N2C3CC1(O)C23,0.2625 CCC(CO)C(C)=O,0.2293 OC12CC=C3CC1C23O,0.182 Cc1cc(n[nH]c1=O)F,0.1737 CC1CC(=O)C=C(N)C1,0.1972 CC#CC1CC=CC1=O,0.1816 CC1CCC(O1)C1CC1,0.3192 NC(C#C)C1=CC=CO1,0.231 C#CC#Cc1nc[nH]n1,0.1907 CCC1OC(C)C1CO,0.3061 OC1=NOC(=N)C(F)=N1,0.1648 C1CC11C2OC1C21CO1,0.309 OC1CNC(=O)C2CC12,0.2653 CC1=CCOC1=N,0.2201 CC1CC1C1=CN=NO1,0.2184 [NH3+]C1CC1C([O-])=O,0.2734 O=C1CN=C2NCC2C1,0.2064 OC1=NNC(=O)NC1=N,0.1897 CN1C2C(C#C)C2C1=O,0.2359 COC1C2NC3C2NC13,0.2854 C1OC11CC2=CCCC12,0.244 Cn1c(coc1=O)N,0.2393 CC#CC12OC1CC2C,0.2591 COC1COCC1=NO,0.2396 N=C1OC(=O)COC1=O,0.2192 OC(C#N)C1(CN1)C=O,0.225 c1c(cn(n1)C2CC2)N,0.218 Cc1nc(=O)onn1,0.1579 Cc1ccc(c(c1)C)C,0.2325 C1C2C3CC22OCCC132,0.3263 COC1(C#C)C(C)C1C,0.2707 CC(=O)N(C)CCC=O,0.217 NC1=CNC(=N)N=C1F,0.1463 [O-]C(=O)CC1C[NH2+]1,0.2746 N#CC1C2CC3NC3C12,0.2769 C#CCC1CNC1C#N,0.2622 CN=CNc1ncno1,0.2179 N#CC12CN1C1CC2C1,0.2753 CC1C2OCC(O)C12O,0.2955 COC1C2CC1(C)N2C,0.3034 CC(=O)CC1CCO1,0.2284 N=C1OCC11CCO1,0.2628 CC(C)(C#C)C#CCO,0.281 [NH3+]C(C1CC1)C([O-])=O,0.2671 Cc1cc(oc(=O)n1)F,0.1925 CCC12CC1C(C2)C=O,0.2251 CCC(C)(CCO)C#N,0.313 CC(C)(C)C12CN1CC2,0.3038 CC1N2CC(O)C12C=O,0.21 N#CCC12NC1C1OC21,0.2551 CC12OC1C(C)(C)C2O,0.3262 CC1(C=CCC1=NO)C,0.2485 Cc1[nH]c(c(n1)N)CO,0.2088 CC1(CC1C#N)C#C,0.2692 OC(C=O)C1CC2CN12,0.2045 CC1CC1C#CC(N)=O,0.2315 COC1CC(=O)C(C)O1,0.2204 NC12CC3NC1(C#N)C23,0.2409 N#CCN1CC1C1CN1,0.255 c1c(non1)N,0.2173 CC(CO)C1NC1C#N,0.2777 CC(=O)C1(CC1)CO,0.2312 CC1CC2(C)C(C#N)C12,0.3048 NC12CN(C1)CC2C#N,0.2666 CC1(C)C2CC3CC2C13,0.3551 CC1CC2(O)CC12C#C,0.2539 COC1C(O)C1(C)C#N,0.2773 CCC1CCCC1OC,0.3221 CN1CC1(C)C(=O)C#N,0.1652 COC1(C)C2NC(=O)C12,0.25 CC1C=CC2OC2C1O,0.2396 COC1CCC(C)=C1,0.2597 CN1CC2(C)C3C1CN23,0.2883 C1CC11OC2CC12,0.3049 CC1C(C)=CC2NC12C,0.241 Cc1cc([nH]c1C=O)N,0.1672 OC1CC(C#N)C1C#N,0.2942 COCCC1(CC1)C#C,0.2945 c1c[nH]c2c1C=CCO2,0.1769 CC1CCC1CC(N)=O,0.2777 OC(CNCC=O)C#N,0.2251 CN=C1N=CN=CN1C,0.1702 CCC#CC(=O)CC#C,0.2066 OC1C2C=CC1C2C#N,0.2324 O=CC1=CC2C3C1CN23,0.1759 CCOCCCCC#N,0.2951 OC(C#C)C1CC(=O)C1,0.2235 C1C=CC(=NCCO)O1,0.2019 CC(C#C)C(O)CC#C,0.289 CC1CC(C1)(CO)CO,0.3011 c1c(onn1)CO,0.2331 CC1NC(=O)C=C1C,0.2169 C(C#N)OC(=O)C=O,0.1822 C1CC(O1)C1=NC=CN1,0.243 C(C1CN1)C1=CON=N1,0.2072 CCN1N=CC(=N)N=N1,0.169 CC12CC1(O)CC2,0.3214 C1C2OCOC1C=C2,0.2446 CC12OC1C1(CO)OC21,0.2894 OCC1(O)CC2CC12,0.3004 CN=C1N=NNC=C1C,0.1613 CC1OC2C1COC2=O,0.2445 CC1(O)CC1(C)CO,0.3214 CC1(C=O)C=CCC1=O,0.1995 Cn1cc(nn1)N2CC2,0.2398 O=CC1OC1C1CCC1,0.2163 OC12C3CN(C13)C2=N,0.257 CN1CC2OC(C1)C2O,0.2562 CC1=CC(=N)NN=C1O,0.1535 COCc1c[nH]cc1N,0.2251 CC(O)C1CC(C1)C#N,0.3058 C1CC1N2CCNC2=O,0.2912 c1cnc(nc1)CC=O,0.1999 OC1CC1CCOC=N,0.2824 c1c(cc(nc1F)F)O,0.2432 C#CC1=CC(=O)NCC1,0.1845 OC1CN2CC12C1CO1,0.3019 O=CC1(C#C)C2CCN12,0.2014 OC12C3C1C1=CCN3C21,0.1791 OC1CCCC(=C1)C#N,0.2238 CCC(C#C)C(=O)C=O,0.1523 CN1C2CC(O)C(=O)C12,0.1973 CCC1=CCCC2CC12,0.2483 CCC(O)CCC(N)=O,0.2801 OC1C2CC1CC(O)C2,0.3178 COCC(O)C(=O)C#N,0.1784 CCc1nc(no1)C=O,0.1923 COCC(OC)C1CO1,0.3305 NC1(CCC=C1)C#N,0.2448 NC1CNC1(C#N)C#N,0.2387 C#CCCC1CCCC1,0.3156 CC1OCC11NCC1=O,0.2105 c1c(onc1N)CC=O,0.1997 ON=C1C2CC2OC1=O,0.1985 C1C=C(COC1=O)C#N,0.2187 OC1CN2C1=NOC2=N,0.2184 CC1CC(O1)C#CC#C,0.2181 CC1CC(O)C11CO1,0.3101 COc1ccc([nH]1)C=O,0.1724 CCCC1CCC1(C)C,0.3543 CC1NC1(C)C(C)=NO,0.2409 COCC1=CC(C)CC1,0.2585 Cn1cc2c(n1)ocn2,0.214 CC1(C2CC2)C2CCC12,0.3281 C1C2CCCCC1C=C2,0.2589 C1C2=CC3C=C1C1C2N31,0.0835 Cc1cc(c[nH]1)CC=O,0.1937 c1c(c(on1)C(=O)N)N,0.1775 CC1(OCC2(O1)CC2)C,0.3248 OC1C2CC3COC2C13,0.304 ON=C1C2CC1C2C#N,0.2663 O=C1CC2OC=NC12,0.2064 C1C2C3OCOC1C23,0.3203 CC(=O)C1N2CC1(C)C2,0.2105 CC1(C)C2OC3CC2C13,0.3231 C(COCC#CC#N)O,0.2206 CC1=CCCC(=NO)C1,0.2502 OCC1NC1CCC#C,0.303 C1C2CC3OC2C1CO3,0.3207 CC12CC1(O)CC2C#N,0.2933 c1cn[nH]c1CCO,0.2583 C#CC12CC3CC1CC23,0.2854 Cc1ccn(c1)C(=O)N,0.2078 O=C1OC23CC4C2CC134,0.2422 CC(CC1CC1O)C#C,0.3121 OC1C2CCC3(CO3)C12,0.3196 CCC12C3C1C1CC3C21,0.3219 CC1=N[N-]C(N)=[NH+]C1=N,0.1826 CC1CC2=C(N)C=NN12,0.2252 CC1=CC(C=O)C2OC12,0.2097 CCC1(CCOCC1)C,0.3167 CC(C)C12CC1CC2C,0.3206 C1C(C(=O)N1)(CO)CO,0.2684 C#CCc1[nH]cc(n1)N,0.2197 CC1COC(C)(C)CO1,0.318 CCC1COC(CO)C1,0.3198 c1cnccoccn1,0.1628 C1CCC(C1)(CC=O)O,0.2239 C1CC23N=COC2CC13,0.2479 CC(C)NC(=O)NC,0.302 CC1CC(O1)C(N)=O,0.2648 Cc1cnoc1CO,0.2346 CC1(O)COC1C#N,0.2702 CC1OCC1COC=O,0.2604 O=CC12CC3C(O1)C23,0.201 CC(C)C1=NCCCO1,0.27 CC1OC11CCC1O,0.3104 COC(C)(C=O)C#C,0.2051 c1c(nc(o1)CC=O)O,0.1872 N#CCN1CC2CC12,0.2574 CC1CCC2=C1NC=C2,0.2375 CC1CCC2OC12C#N,0.2891 Cn1c(nc(=O)nn1)N,0.1708 NC(C#N)C(O)C1CN1,0.2688 OCC1OC1CN1CC1,0.3155 CCC1CC(=O)C=C1,0.1917 C1CC1CCC2COC2,0.3217 O=C1OC2CC2C11CO1,0.252 CN=C1NN=CC(N)=N1,0.1513 OC1CNC2=C1N=NN2,0.2214 COC1(C)C2C3NC3C12,0.2632 CN1C2CC2(CO)C1=O,0.2456 NC1(CC[NH2+]C1)C([O-])=O,0.2711 CC1CCC(=O)N1C=N,0.2211 CC(C=O)C1CCC1O,0.2261 O=CC1CC2OC2C=C1,0.2199 CCC12CC(OC1)C2C,0.3151 CC#CC12CC1OC=N2,0.2433 OC1C2COC1C2C#C,0.2869 CCC(O)C1CC2OC12,0.3165 OC1C2C3CCC1OC23,0.2848 CC(C)(C#N)N1CCC1,0.2706 OCCC(CO)C=O,0.2226 Cn1ccc(cc1=O)F,0.1855 O=C1C2C3CN1C23,0.2453 CN=c1[nH]cc(o1)C=O,0.1553 O=C1CCC2CN2C=C1,0.1831 COC(=O)CCCC#N,0.2868 CC(=O)C12CC1(O)CC2,0.2101 CC1CN(C=O)C1(C)C,0.2685 CN=COCCN1CC1,0.2732 CN1C2C(O)CC12C=O,0.2161 CC1CC2NC2C=C1C,0.2449 OCC1OC2CC12C=O,0.2198 CC12CC3(C)C1OC23C,0.3084 CC12CC3(C)COC1C23,0.3113 C(C(=N)NC(=O)CO)O,0.2338 CC(O)C12CC1NC2=O,0.2527 COC(C#N)C(N)=NC,0.2413 Cc1nc2c(o1)cc[nH]2,0.1998 CC1(C)OC2C(O)C2O1,0.2963 CC#CC(CO)CC#N,0.2722 CC12C3C4C(C13)N24,0.282 CCC1OC(C)CC=C1,0.2652 CC1OC(C)(C)C2OC12,0.3385 CC1NC(=O)C(CO)=C1,0.2243 CN1CC(=O)CCC1=O,0.2147 C(C=O)NC(C=O)C=O,0.1899 C1CC1C1CC=CCO1,0.2668 CC1C(C#N)N1CCO,0.2636 N#CC1C2CC2N2CC12,0.2798 C1CC11C2C3CN2C13,0.311 CC12C3CC(=CC1=O)N23,0.1697 CC1C2N1C(C#N)C2=O,0.2153 CC(C)C1CO1,0.3501 CCC12OC1CC2OC,0.3193 c12c([nH]nn1)nc([nH]2)N,0.203 CC#CC#CC#CCO,0.1772 CC1OCC(CO)C1=O,0.2141 Cn1cncc1C(=O)N,0.2139 OCCC1(O)CNC1=O,0.2621 OC1C2OC1C2NC=O,0.2782 CCC1C(C#N)C2CN12,0.2727 N=COC(=O)COC=O,0.2435 CC1CC(O1)C(C)=O,0.2171 OC1C2OC1C2OC=O,0.2698 CC12CC(O)(C#N)C1O2,0.2785 OC1CC23NC4C2OC134,0.2643 C(=N)NC(=O)C(F)(F)F,0.2206 CC1C2C3CC1(O)CN23,0.289 CC(C)(C1CN1)C(N)=O,0.2637 OCC1C2N1CC21CN1,0.2941 C#CC(=O)N1CCCC1,0.2174 N#CCNC1C2CC1C2,0.2643 N=CN1CC(C=O)C1=O,0.2107 FC1=NC(=O)NC(=N)O1,0.2337 [O-]C(=O)C1C2C3[NH2+]C2C13,0.2647 NC1=NC=C(F)C(=N)O1,0.1779 CC12COC1C1CCC21,0.3043 N=C1CC2(CC2C#C)O1,0.2695 CN1CC11C=CCC1O,0.2352 CCC1=C(O)NC(=N)O1,0.2261 CC12CC(O1)(C=C2)C#C,0.2336 O=CC12CN(C1)CC2=O,0.1954 CC1=CC(O)CN1C=O,0.2114 OC1=NC=NC(=N)O1,0.1946 CC12CC1C1=CCOC21,0.2312 COC=NC1CC1C#N,0.2515 C#Cc1cc(co1)N,0.1814 CC1CCC2(CO)NC12,0.2967 C1CC23CC4CC2N4C13,0.2818 O=CC1CC2(CC12)C=O,0.2085 O=CC(C1CN1)C1CO1,0.1924 CC1OC2C3NC3C=C12,0.2308 CC(O)C1(CO)COC1,0.3008 O=CC1CC(=O)C11CC1,0.2182 CC(CC(C)=O)NC=O,0.2121 CC1(CO1)C1=NC=CO1,0.2335 ON=C1COCC(O)C1,0.2482 CC12CC1(OC2)C1CN1,0.2957 CCOC1COC1=O,0.2516 O=C1C2OC3C4C(C23)N14,0.2139 OCC12CN3C1C=CC23,0.2059 CC12CC1C(C)(C2)C#C,0.3013 CCC12OC1C1CCC21,0.3215 CCC1(O)C2OC1C2O,0.2873 CC1OCC(=N)OC1C,0.2742 CCC1C(CC)C1(C)O,0.3132 CC1=CC(O)C=CC=C1,0.184 COC(=O)C(N)CC#C,0.2493 Cc1c(nn(n1)C)OC,0.2255 OC1C2CC3N2C13C=O,0.2122 OCCCC12CC(C1)O2,0.3101 N=C1NC2(COC2)CO1,0.2891 CC1(C)C(O)C2OCC12,0.3013 Cc1[nH]c(c(n1)N)OC,0.2217 C1COCC2NC2C1,0.3178 CC(C)Cc1ccon1,0.2519 CC(=O)N1C=NOC1=N,0.202 CC1C(CC#N)N1C,0.2649 Cc1cnn[nH]1,0.2527 C#CCCc1ccoc1,0.2418 CC1(O)COC1C=O,0.2153 CC1OC2C(CO)CC12,0.3144 C1C2CC3CCCC2C13,0.3591 CC1NC11C=CCC1O,0.2401 CC1C(O)C2CC=CC12,0.2546 O=C1OCCC2CNC12,0.2406 CC1CCCC1(O)CO,0.3106 Cc1cc([nH]c1C#C)C,0.1955 C1C2CN=COC1C=C2,0.2379 C(CCO)CC#CC=O,0.2053 O=C1C2CC11NCC1N2,0.1924 CC1(C)C2C3NC3C12O,0.2723 CC12C3C4C1C4(C=O)C23,0.2079 CC(O)C1COC1C#N,0.2821 C#Cc1ncc(nn1)N,0.1673 c1[nH]c(c(n1)O)O,0.2198 CC1OC2(COC2)C1=O,0.2093 O=C1CN=C2NCC2N1,0.2441 C1CC1C#CCCO,0.2852 CCN=C1COC(=O)N1,0.2538 OC1C2C3CC3(C#N)C12,0.2941 CC1=CCN(C1)CC=O,0.1911 CC(=O)C1C2C3NC3C12,0.2275 CCCCC(C)(O)C#N,0.316 CC1=CC2OC3CC1C23,0.2353 CCC(=O)NCCOC,0.2784 CC1C2C3(C)CN1C23C,0.3039 CC1N=CN2CC12C=O,0.2176 Cn1c(ncn1)C=O,0.1938 CC(=NC)N1CCC1=O,0.2229 CC1COC2(CC12)C#C,0.2623 CC1CCC=C(C1)C=O,0.1981 O=C1CC2CC1C1NC21,0.221 CCC1(C)CC11CCC1,0.3288 OC1C=CC2CN3C2C13,0.2287 Cc1[nH]cc(n1)N(C)C,0.2111 CC1(COC1)C#N,0.2909 CC(CC#N)C(C)C#C,0.3068 CC(O)C(O)C#CC#N,0.2254 Cc1cnc(c(n1)F)F,0.2041 CC12CN3C(CC13C)C2,0.3028 CC(=O)C#CC=O,0.1958 CNC(=O)C#CC#N,0.1988 C#CC#CCOCCO,0.2212 CC1C=C(C)C(=O)C1C,0.1959 O=C(C#N)C12CC(C1)O2,0.1676 CC12CN3C4C3C1C4O2,0.2898 CC(CC=O)C(C)C#C,0.2285 C1CCOC(=NC1)C#N,0.2197 CC(C)C12CCCC1O2,0.3341 CC(CO)NC(=O)CO,0.2769 OC1CN=C2NC=NC12,0.225 CC(C)OC1CC1CO,0.3177 N#CC1C2OC1C21NC1,0.2851 C1NC23COC12CC=C3,0.2274 C1OC2C3CC12COC3,0.289 CNc1cc(=O)[nH]nc1,0.1724 O=C1CN2CC11NCC21,0.1941 O=C1CNCC1CC#N,0.2014 NC(CC#C)(C#C)C#N,0.2656 O=C(C#N)C1(CN1)C#N,0.1881 CCC12CC1(C)OC2,0.3029 c1c[nH]c2c1C(=O)CC2,0.2109 C1C=CNC(=O)N1,0.2248 CC(=O)COCCC=O,0.2111 CC(C#C)C#CC1CC1,0.2706 CC1C2C1C1OCC2O1,0.3385 OCCCC1OC1C#C,0.2807 CN=C1COC(=O)CN1,0.237 OC12CC3C1C2(O)C3=O,0.2414 CC1(CC1CC=O)C#C,0.217 CC(CO)C1NC1C=O,0.2211 CC(C)(C)CCC1CO1,0.337 CCC12CCC(O1)C2C,0.3244 COC1(C)C2CC1C=C2,0.2328 NC1=NCCOC1C#N,0.2454 CC12CN=COC1CN2,0.2459 CC1CCCC1=O,0.2218 CC1=NC(C)=NC(=N)N1,0.182 CCC(=O)CC1(C)CN1,0.2247 CCC12CC3C1C2C3=O,0.2444 C1CC12CC3(O2)COC3,0.298 c1cn2ccoc2n1,0.2228 O=CC1OCCNC1=O,0.2201 CN(C)C(=O)C(N)C#C,0.2576 CC12C=CCCC1C2O,0.2359 OCC(C=O)C(=O)C#C,0.1895 CC1CCC2CN2C1=O,0.2461 CN1C2C3CC2(C#C)C13,0.2419 Cn1cc(cn1)OC,0.2288 c1(=O)c(n[nH]nc1N)N,0.1479 COC12CC1COCC2,0.3272 CC12C3OC3C3C1CN23,0.2918 CC(=O)C1COC(=O)O1,0.2264 CCC1(CCC1)C#CC,0.2942 CC(C)C(C#C)C#N,0.2982 c1c(con1)OC=O,0.241 CCC#CC1OC1C#N,0.2534 CC1OC23CC(O)(C2)C13,0.2964 CC12CC3(CO)OC1C23,0.2941 [O-]C1=C(F)C=CNC1=[NH2+],0.1474 C#CC1CCCCCO1,0.2903 C1C2C3C=CC1C=CC23,0.2438 CC1(CCC(CC1)O)C,0.3315 CC(CCO)C1CC1O,0.3246 [NH3+]C1CC=C(C1)C([O-])=O,0.208 CC1=NC(CO)C(=O)N1,0.2318 NC1=NC(CO1)C1CC1,0.279 COCC(CO)C=O,0.2184 CN(C)c1cc([nH]c1)N,0.221 Cc1cc(=O)nc([nH]1)O,0.2109 COC1(C)C2CC1(O)C2,0.3319 CC1C2CN2C(=O)C1C,0.239 O=C1CC=CCN2CC12,0.2031 OC(C#N)C(=N)N1CC1,0.2541 C#CC1N=COC1C#N,0.2661 OC12CC1C1(O)CC21,0.2892 CC#CCCC(O)CO,0.2999 N=C1OC=C2C=CCN12,0.1555 Cn1cc(cc1C=O)O,0.1647 CCc1cc([nH]c1)NC,0.2355 CC(O)C(C)(C#N)C#N,0.2912 c1c(c(=O)nco1)F,0.2089 CCC(=O)c1conn1,0.2019 CC(C)C1(O)CCC=C1,0.2622 CC1C2COC(C#N)C12,0.2906 CC12OC3CC1OCC23,0.3208 N=C1OC2=C(COC2)O1,0.2436 OCC1NC(=O)C1CO,0.2807 CC1OC2(C)C3CC2C13,0.3322 OCC1OC(=N)C=C1,0.2128 NC1=C(F)C=NC(=N)O1,0.1573 CCC(C)NC=O,0.2828 C1C2COC3CC3CC12,0.3144 CC1=C(CC(=O)N1)CO,0.2087 c1c([nH]c(=O)[nH]1)OC=O,0.1903 C1CC2OCOC2C1,0.3254 Cc1ncnn1C(C)C,0.2638 CC1=CC(=O)C2(C)NC12,0.179 CC1COC(=O)CC1O,0.271 CC(C#N)C(O)C#C,0.2951 Cc1cc(=O)onc1F,0.1821 CC1OC2OC3CC2C13,0.3274 CCC(=O)C#CC1CN1,0.2021 CC(=NO)C1CC1(C)C,0.2395 CC1C2CN3C4C3C2C14,0.309 CC1(C)C2C3C1C(=O)N23,0.25 CCCOCCC1CC1,0.3399 COC1C2COCC1O2,0.3037 CC1(C)NC11CCC1O,0.2983 CCNC1CNC1C#N,0.2461 O=CC1OC1(C#C)C#N,0.208 N1C2C=CC3C4OC23C14,0.1725 c1cn[nH]c1CN2CC2,0.2582 C(CO)C(=O)NC(=N)N,0.2199 CC#CCOC(=O)CO,0.2722 C1OC2COC=NC12,0.2697 C1C2CC=CC3CC3C12,0.2348 COc1[nH]c(c(n1)O)N,0.2375 C#CC12OC3=NCC1C23,0.1614 COC(C)CC1OC1C,0.3352 CN1CC(=N)NC(=O)C1,0.2193 OC1CCN(C=O)C1=N,0.228 CCC(=N)NC=O,0.2322 O=CC#CC12CCC1N2,0.1985 CCC(O)C1=CCCC1,0.259 c1c2c(on1)NCC=C2,0.1799 O=CC12CNC1=NCC2,0.2048 O=C1OC2C3CC2C13,0.2666 CC1=NNC=NC1=N,0.19 OC(C#C)C1(CC1)C#N,0.2881 C1C(=O)CNCC1=O,0.1898 c1c(nco1)CO,0.2461 CCC(C)(C)C(C)O,0.3275 N=C1NC2=C(ON=N2)O1,0.1304 c1coc(=O)n1C(=N)N,0.2307 c1c(cnc(c1N)O)N,0.1798 COC1C2C3OC3C12C,0.2745 C1C2COC3(CCC3)C12,0.3258 CC1CC2C3CC3C=C12,0.2374 CC12CC=CC1N2,0.2339 CC(O)(C#C)C(O)CO,0.2934 CC12CC1C1CC1(C)C2,0.3377 COC(C(C)C)C(C)=O,0.2164 OC1CC(C2CC2)C1O,0.3029 CC(=O)C(CC#C)C=O,0.2026 CC(C)(C(=O)N)OC,0.2779 C#CC1CCCC1C#C,0.2972 CCOC1C2CN2C1=N,0.236 CC1(O)CC1(O)C1CC1,0.3115 CN(C)C12CC1CC2=O,0.1972 N=C1OC2C3NC2C3O1,0.2913 CCCC(=N)OCC=O,0.2299 CC12CC(=O)C=CC1O2,0.1819 C1CC12CC(=O)NC2,0.2743 CC1C2NC(C#N)C12N,0.2366 OC1=CNC=C1C1CO1,0.2306 N#CC12CNC3C1NC23,0.2598 CN1CC(=O)C1CC#C,0.203 OCCC12NC1CC2O,0.3041 CCOCC1NC1CO,0.323 C1CC1(CCCO)C=O,0.2332 CC12CC3(C)OC1C23C,0.3026 CCCCC1CN=CO1,0.2714 CC1(C)C2OC(=O)C12O,0.248 C#CC(=O)C1OCCO1,0.1781 COCC1CC(=O)C1C,0.2215 CC1CCN2CC12CO,0.3137 OC12CC(C1)C=CC2=O,0.1961 C(C(=O)C=O)NC(=O)N,0.1499 CN(C)c1cncnc1,0.1805 O=C1C=CC2OC3C2C13,0.1719 OC1C=C(C#N)C2NC12,0.2029 CC1C2C3CC4C3C1N24,0.3017 CC12CC3OC3C1C2O,0.2996 CC1C2C3CN3C12C#C,0.2386 CC1CC1C1(CO)CO1,0.3293 CCN=C(C=O)NC=O,0.1492 CC1CC2CCC2(O)C1,0.3193 O=CC12C3CC1N=CN23,0.2125 N=C1OC2C1NCC2=O,0.1961 OC1=CNN=C1OC=N,0.2183 CC1OCC2(C)CC12O,0.3184 CC1OC2CC1CO2,0.3318 c1ccnc(c1)N(=O)=O,0.1919 C1C(=O)CNC(=O)CN1,0.1921 CC1NC(=O)CC=C1C,0.2518 O=CC1C2CC2NC1=O,0.2192 O=CC12OCC3CC1C23,0.2135 N=C1CC=CC(O1)C#C,0.246 CC1C(C)N1C(C)=O,0.2559 CC1=C(F)C(=N)NC=N1,0.1824 CN1CC2OCC12C#N,0.2334 CCC(O)C1(CO1)C#C,0.278 CN1CC1C([NH3+])C([O-])=O,0.2549 CC#CC1(C)C(O)C1O,0.2658 CCC12NC1C(O)C=C2,0.2367 CC1CCNC(=O)C=C1,0.2117 CC(O)C1C(C)C1C#N,0.2969 CC(C)(C)C(C#C)C#N,0.2967 CC(C)C(CO)C#C,0.3139 O=C1CC2CC2C11CO1,0.2055 CC1CC1C1=CNC=N1,0.2465 O=CN1C2C3CCC2C13,0.2495 C1OC1C1C2C3CC3C12,0.2793 CC1(C#C)C2NC2C1=O,0.2085 Cc1cnc(cc1F)O,0.2167 CCOC(=N)C(=O)OC,0.2188 CC12C3C1C1(O)CC2C31,0.3022 CC1=CCN2CC(=O)C12,0.2017 CC12CCN1C=CC2=O,0.1828 CC(=O)C#CCC#C,0.2077 CCC1=CC2OC2CC1,0.2355 C#CC1CCC2CC1C2,0.3087 CCC1N=C(C)OC1=O,0.2469 COC(CO)C(F)(F)F,0.3367 CCC1(C)CC1CC#N,0.3181 C#CC12CN=C3CC1N23,0.1927 CC1=CCN(C1=O)C=O,0.1992 CC(O)C1=CC2CC2C1,0.242 O=CC12CC1N=CO2,0.2217 O=C1OCC2CNC1C2,0.2374 CC1CN(C(C)=O)C1=N,0.2347 OC1CC2CCOC2C1,0.3088 CC1=C(C)C2CC3C1N23,0.2188 CC1=CCN(C1)C(=O)N,0.2432 CC12CN1CC1NC21C,0.2889 CC(CO)C1CC=CC1,0.265 C1CC23CN4CC(C24)N13,0.2789 CC1(CC1)c2c[nH]nc2,0.2566 CC1(CC=O)OC2CC12,0.2191 O=CC1CC=CC2CN12,0.2058 COC(C)C(=O)CC#N,0.2304 CC#CCCC(=NO)C,0.2495 CCCCOC(C)CC,0.3334 CC12N=C(N)C3OC1C23,0.2252 CC1(CCO1)C1(O)CC1,0.309 CC1(C#N)C2C3NC3C12,0.2495 CCOCCOC(C)C,0.331 CC1OCC1OCC=O,0.2204 CC1CCC=CC1=O,0.1859 ON=C1CC2OC2C1O,0.2483 c1c[nH]c2c1oc(=O)o2,0.2286 C1OC1C1C2C3OC3C12,0.2835 N=COCC1=NC=NO1,0.2327 CC12CN3C(CC1=O)C23,0.2168 CC1C=CC(=O)C1O,0.1935 OC1CC(OC1=O)C#C,0.2719 CN=COC1COC1,0.274 CC1N2C3C(C2=O)C13O,0.2394 CC1C[NH2+]C1C([O-])=O,0.2621 O=C1NCC23CC(C2)C13,0.2609 O=C1NCC=CC2NC12,0.2264 CCC(=O)CC,0.2356 C1C23CCCC12C=CC3,0.2455 CCC1NCC1(O)C#N,0.2551 O=C1C=CC23CC12OC3,0.1803 O=CC1=CCCC2NC12,0.1888 CC12NCC1=CCC2=O,0.2099 CC1=CC2(CN2)CC1,0.2359 CC(O)C(C)C1CCO1,0.3132 NC1=COC(=O)NC1=N,0.184 COCC(OC)C1CN1,0.3222 CCC12C(C)C1OC2=N,0.277 CC(C1CO1)C1OC1C,0.3418 CC1OCC(NC=O)=C1,0.2118 O=CCOC12CC(C1)C2,0.2292 CC1N2CC(O)C12C,0.2859 ON=C1C2C3CC1C23O,0.2481 OC12C3OC1C1(CC1)C23,0.2946 c1cncc(=O)nc1N,0.1627 CC1(C(=O)OCCO1)C,0.2605 OC1CC1(O)CC1CN1,0.2904 c1coc(=O)o1,0.2556 OC12COCC1OC2=O,0.2581 C1CC1(C#N)C(=O)C=O,0.1554 O=C1C=C2NCC3C1C23,0.1775 CCn1ncc(n1)OC,0.2285 O=C1CCC11OCC=C1,0.1918 COC1CC11C2CC1C2,0.3301 FC1=CNC=CC1=N,0.1882 OC1CCC23CC12OC3,0.2803 O=C1C2CC2C2OCC12,0.2157 CN1C=CC(=O)[CH-]C1=[NH2+],0.2016 Cn1c2c(cn1)nn[nH]2,0.2245 c1c(nn[nH]1)CC2CC2,0.2507 CCNC(=N)C(=O)OC,0.1891 COC12CC1C(C)=CC2,0.2475 CCC(C#C)C1CCC1,0.3112 O=CC(CC#N)C1CN1,0.2132 CC1C2OCC2C1C#N,0.2791 CC1(CN=CN1C=O)C,0.223 N=COCC12CC1OC2,0.2637 Cc1c[nH]nc1C,0.2603 O=CC1COC2(CC2)C1,0.221 CCC1(CO)OC1C#N,0.2751 CC12CCC1C(C2)=NO,0.2452 CC1=CC2CN2CC1O,0.2284 c1cnc(cc1N)F,0.225 CC1(CO)NCC1C#N,0.2633 C1NC1C1OC11COC1,0.316 C#CCC1C2CCC1O2,0.297 [NH3+]C(CC1CC1)C([O-])=O,0.2674 O=CNC1CC=CC1,0.2634 CN1C2(C)CCC12C#C,0.2679 c1c[nH]c2c1CCC2=O,0.1963 c1nc(c(o1)N)CCO,0.2189 CC1C2C(CC1=O)N2C,0.2104 OCC1OCCC1C=O,0.2226 [NH3+]C(C1CCO1)C([O-])=O,0.2665 CC(C)C(=O)C(=O)C=O,0.1339 CCc1coc(n1)C#N,0.2016 O=C1CC2C1C21CCC1,0.2291 C1CNc2c1nn[nH]2,0.2176 C1=CNC(=O)C(=O)C1=O,0.1234 NC1=NC2C(O)C2OC1,0.2297 CC(=O)CC(C)(C)C#C,0.2286 CC1C2(C)CC1(O)C2=O,0.2424 CC1C2COCC12C#C,0.285 CCOc1cnccn1,0.1989 OC1=NON=C1OC=N,0.2204 CC1COC(OC1)C#C,0.2985 [O-]C(=O)C1CC=CC[NH2+]1,0.2596 CC1(C)OC1(C)C#C,0.2845 CC1(O)CC1(C=O)C#C,0.2099 CCC(O)(CO)COC,0.3231 CCC12COC1CC2O,0.3099 CC1=C(F)C(=N)N=NN1,0.1695 C(C=O)NC(=O)CO,0.2194 CC1=NCC(CC=O)O1,0.2202 COC1(CCC1)CCO,0.3243 CC(=O)CNC(=O)C#C,0.2256 CC1C=CC2(CC12)C#C,0.2366 C(c1c(nc([nH]1)N)O)O,0.2181 NC1=CC(=O)N2CC12,0.2055 CC(C)(O)C(CO)C#N,0.2944 CCC(C)(C)CCC#C,0.3156 CCN=c1[nH]c(no1)O,0.246 CCC(=O)OC1COC1,0.2623 CC1COC2=C1NN=N2,0.2102 O=C1NCC2OCC2=C1,0.2062 C1CC12C=CCO2,0.2267 C#CC1OCC=CCO1,0.2629 CC1CC1C1(C)CO1,0.3333 CC(=O)C(O)CC=O,0.211 O=CC1C2CC1CCC2,0.2233 CC1(C#N)C(N)C1CO,0.2755 C1CC2(C1)CC(=O)C2,0.2207 CC12OCC1OCC2O,0.294 C1CC(O1)C1=CC=NO1,0.2313 CCC1(N)CC1(N)C#N,0.2646 OCC1C=CC(O)C1O,0.2545 Cc1c(ncnc1O)O,0.2298 CC1C2(C)CC1(C)OC2,0.309 CC1COC2C3OC2C13,0.3017 Cn1nc2c(n1)NCC2,0.2035 C1C2OCC3(CCO3)C12,0.2981 CC1CC=CCOC=N1,0.2519 CC1CC2(O)CC2C=C1,0.2505 c1nc(c(o1)NC=N)N,0.2033 CN=C1OC=CC(O)=C1,0.1653 OC1CC(=O)C2CC12O,0.2264 Cc1cc(c(nc1)C)C,0.2223 Cc1c2c(no1)COC2,0.2331 CCc1ccc(nc1)O,0.2065 CC1CC2C1NC2=O,0.2729 CC1OCCC=CC1=O,0.1817 CC(=O)C1OC2CCC12,0.2188 CC1CC(CO)OCO1,0.3481 C1OC2OC3C1C3C=C2,0.2372 CC1NC2=CC(=O)CC12,0.2064 CC(CCC#C)C(N)=O,0.2731 C#CCOC=NCC#N,0.2723 O=C1NC2CC1C=C2,0.2161 CCC1(O)C(N)C1C#N,0.2682 CC(C)C1OCOC1=N,0.2859 ON=C1COC(C1)C=O,0.2159 COC1C2OC2(C)C1O,0.3115 CC1=CCc2c1n[nH]c2,0.2101 CC1(C)C2C3C2C(=O)C13,0.2439 CCn1nccn1,0.2576 COCCCO,0.3295 c1cc(c(c(c1)F)N)F,0.2161 CC(C=O)C1OCC1O,0.2225 Cc1c(c(co1)OC)O,0.2282 CC1CC2OC1CC2C,0.3277 C1OC(=O)C(C(=O)O1)N,0.2451 Cn1c(cc(n1)O)C#C,0.1991 O=CC12CC3CC1CN23,0.2018 C1OC23CC=CC2OC13,0.2407 NC12C3OC1CC23C#N,0.2525 c1c(onc1O)CC=O,0.2117 C#CCCCC=O,0.2274 c1nc(n(n1)C(=O)N)N,0.2156 OC1CC23CCC2(C1)N3,0.2787 N=C1CC(C=O)N1C=O,0.2077 CCC1OC(=N)C11CN1,0.2708 CNC(C#N)C1CC1,0.2779 OCC12CC1(CC2)C#N,0.2782 CCc1c(nn[nH]1)C,0.2434 c1nc(c(o1)N)N(=O)=O,0.1711 NC1=C(C[NH3+])C([O-])=CO1,0.2171 O=CC1(OCC=C1)C#N,0.207 COCC(O)C#CCO,0.2844 c1(nc(no1)O)C(=O)N,0.2104 CC1NC(=O)NC1=N,0.2573 CC12OCOC1CC=C2,0.2607 CCC1C(OC)C1C#N,0.288 C1CC1OC(CO)CO,0.318 CC1CC1(NC=O)C=O,0.2205 CC1C2CC(CC12)C#C,0.31 CC1(C)C2CCCC12C,0.3249 CC12C3C4C3C1C4C2O,0.314 N=C1ON=C(O1)N(=O)=O,0.1626 C1C2CCC3=CCOC123,0.2253 CC1NC1C1(CO)CO1,0.3181 OC1C(O)C1OC=O,0.2596 OC1CC2OC12CC#N,0.2885 CC1C2CC11CN(C)C21,0.2812 CCNC(C)(CC)C#N,0.2728 CC12CCC1(O2)C1CO1,0.3048 C1C23CCC12OCC3,0.2937 CC1CC2(COC2)C1O,0.2957 N#CC1CCCN1,0.2769 CC#CC1OC=NC1C,0.2665 CCC1C2OCOC1C2,0.3235 CC1CC2(O)CC12CO,0.3168 CC1C=CCOCC=C1,0.2464 CCC(O)C1CC1(C)C,0.3273 OC12CC(C1)OCC=C2,0.246 CNC1=C(C)OC(=N)O1,0.2345 CC12CCC1(CO)OC2,0.3005 Cc1c(nn[nH]1)C(=O)C,0.2087 OC1CC2CC(=O)OC12,0.2807 N=C1N=CNN=C1C#C,0.1646 CN(C)C1C2OC=NC12,0.2374 CCC(C)(NC=O)C#C,0.2741 COC1OC2CC2C1C,0.3224 CC1OCC11OC1C#C,0.2642 CC1OCC2OC2C=C1,0.2383 OC1CC2=CCCC12O,0.242 CC12CC(O)C1C(O)C2,0.2964 CC1CC11COC1=N,0.2809 O=CC1C2OC3CC3C12,0.2107 CC12CC(=O)NC1C2O,0.2661 CNC1=CC(=O)CC1O,0.2031 CC1CN1C1=NNN=C1,0.2173 Cn1cnc(n1)N(C)C,0.2133 CCOC1(CC1)C#CC,0.2744 CC1CC(C=O)C(C)=C1,0.2128 CC1N=COC1=O,0.2455 NC(CCOC=N)C#N,0.2834 OCC1NC(=N)NC1=O,0.2304 OC1=C(F)C=CC(=N)O1,0.1567 c1c[nH]c2c1nc([nH]2)O,0.2262 CCC12CC1(N)C(=N)O2,0.2601 N=C1OCC2=CN=NN12,0.2326 Cc1ccnc(n1)C=O,0.1786 OCC1CC2NC12,0.3082 CC12CCC(C)(CC1)O2,0.3224 CCC1CC(=O)C1C#N,0.2222 CC1C2OC11CN(C)C21,0.2646 COc1c[nH]c(n1)CO,0.2211 CC1(O)C2CN2C1C#C,0.256 CC1CCCC1CCO,0.3355 CN=CN(C)C(=O)C=O,0.1642 CN1C2CC1(CO)C2O,0.2766 CN(C)C(=O)CC1CO1,0.2694 CN1C(C#C)C11CCC1,0.2552 CCC1(O)CC1(O)CC,0.3135 COC(=O)C(C)C1CC1,0.2784 C(c1[nH]c(c(n1)O)N)O,0.2214 CN1CCc2c1cn[nH]2,0.2068 OCC1C2CCC2C1=O,0.2138 C1CN1C1CC2(CO2)C1,0.3021 CC1(CC1C#N)OC=N,0.2783 CC12CC1C1CC2(O)C1,0.3132 O=C1CC2OCCC2N1,0.2717 ON=C1C2NC2CC1=O,0.1705 CCN=CNC(=N)C=O,0.1559 Cc1ncc(o1)N,0.2217 C1C=CC2(O1)CC(=O)C2,0.2089 Cc1c[nH]c(c1C)C,0.241 CC1=COC(=C1)C1CO1,0.2225 CCn1cnc(c1C)N,0.2181 C1OC2=NCCCOC12,0.2648 C1OC1C1OCC11CO1,0.3115 COC1C=CCOC1=N,0.2467 N#CC1(C#N)C2CCN12,0.25 CC1OC2C(O)C12CO,0.2962 OCC(C=O)C(=O)CO,0.2098 CC12C3CC1C3CC2=O,0.2219 CCCC(OC)C1CC1,0.3373 CC1(CC1)c2[nH]ncn2,0.2573 C[NH2+]CC1=CC([O-])=CO1,0.0805 NC(=N)N1CC(O)C1=O,0.2172 OCC12CCC1C(O)C2,0.3157 CC1=CCC(=O)C2OC12,0.2071 CC(C1CO1)C1CC1C,0.3422 C1OC1C1CC11COC1,0.3103 CC1NC(C)C(=O)C1=O,0.1404 CC(=O)OCC1CCC1,0.2844 CNC(=O)NC(=O)OC,0.2731 c1cnc(cn1)CO,0.1971 CC1(C)C2OC2C1(C)O,0.3121 CC1OC2C3OC1C23C,0.2843 CC1CC([NH2+]1)C([O-])=O,0.2641 CCC1(CC1)C(=O)CO,0.2396 CC1=CCCCOC1,0.2501 OCC1(O)C=CC2OC12,0.2417 C1CC1(C#N)C(=O)CO,0.2322 CC12CC3C1C2C3C=O,0.2207 OC12CC3C(CC13)OC2,0.3051 CC#CC(=O)C#CC,0.1869 CCCNC(=O)CC=O,0.2212 CCc1cnncn1,0.1659 CC1C2C3N2C1C3=O,0.2328 C(#CC#N)C#CC(=O)N,0.173 c1nnn(n1)C2CCC2,0.2609 C1C2OC3C=CC1C23,0.2338 CC1(O)CC2OC2C1O,0.3181 CC12CC(C1)C2(C)C#N,0.3235 OC1CC11C2NC1C2O,0.3138 NC(=O)C12COCC1N2,0.2607 CC(C)OCC1COC1,0.3235 CC#Cc1c[nH]cc1O,0.2122 N=C1CC(O1)C1CCO1,0.2847 CC1=CCC2(C)CC12,0.2468 CC(O)(C=O)C(O)CO,0.2185 OC1CC11COCC1=O,0.2166 OC1CCC11CN1C=O,0.2503 CC1(CN1C1CC1)C=O,0.2181 C1CC(=O)CN=COC1,0.2146 CC12CN3C4C(OC14)C23,0.2864 OC1CCC1(O)CC#C,0.2861 C1OC=NC2C3OC3C12,0.2686 COC1C=CC2CC1C2,0.2492 NC1=CC=C(N1)C1CO1,0.2191 COCC(=NCC#N)N,0.2592 CNC(=O)c1c[nH]cn1,0.2351 CC1N2CC2CC11CC1,0.3134 C1C=CN2C1=CCC2=O,0.1907 c1ccc(cc1)CC#N,0.2416 CC(O)C1(CCC1)C=O,0.218 OC1CN2N=CC=C12,0.2616 COC1CC(C)=CC1O,0.2594 C1CC2CCOC2C1,0.3179 CC1(CC(C1O)(C)C)C,0.3079 CC#Cc1c(nco1)C,0.1974 N#CC1C2OC1C21CC1,0.2783 CC12CC1(CC2)C1CO1,0.3223 COC(=O)C(C)OC=O,0.2646 CC(C)CC(C)OC=O,0.2837 CC1CCC2(CO2)CO1,0.3213 CC(O)CCCC#N,0.3147 C1CC(=O)CNCC=C1,0.1955 CC1C2CCC1O2,0.3301 C1CC1N=COCC#N,0.2438 COC(C=O)(C#C)C#C,0.2169 CC1(O)CC(=O)C11CC1,0.2169 CC1OC1C1(CN1)C#N,0.2871 OC1C2C3NC3C2C1=O,0.195 CCN1CC1CC(C)=O,0.2082 CC(NC=O)C(O)C#C,0.2649 COC1C2C3CC2(O)C13,0.3177 CC1N(C)CC1(O)C=O,0.194 CC#CC(O)C(F)(F)F,0.292 CNc1c([nH]cn1)O,0.2386 OC1CC2C3CC=C1C23,0.2191 CN1N=COC(=O)C1=N,0.1744 CCC1(CN2CC12)C=O,0.2124 CC12OC(=N)C1C2O,0.2658 CC(CO)C=O,0.2304 CN1C=NC2=C1ON=N2,0.1414 CC1CC=CC1C,0.2637 C(CO)C(=O)C(=O)C#N,0.1501 OCC1CN=C(N1)C#N,0.1986 C1CC23CC(C=C2)N13,0.2177 O=C1C2CN2CC2NC12,0.2075 C#CCCC(=O)CC=O,0.2094 OC(C#C)C1CC1C#N,0.2927 OC1CC1CCNC=O,0.2835 NC(=O)C1CC(O1)C#C,0.2484 CC1COCCCOC1,0.3143 CC(C=O)C1=CN=NO1,0.2063 CC(C)C1(C)OC1C=O,0.2151 CCOCCC(N)C#N,0.283 c1c(c(=O)nn[nH]1)N,0.1696 CCC1(CC1C)C(N)=O,0.2742 CC(C)COCC#N,0.2926 CC1CC1(C)CC=O,0.2227 OC1C(CC11CN1)C#N,0.2832 OC1C2C3CC3C(O)C12,0.2816 CN=C1OC=CC=N1,0.1628 O=C1CC2(C1)C1CC2C1,0.219 CN=C1OC(C)C1N,0.265 CCC1(C)OC1C#N,0.2918 C#CC1C2C3CN1C23,0.2569 OC12CC=CC3CC1C23,0.2554 CCC(C)C1COCO1,0.3284 Cn1nc(nn1)NC=O,0.2246 O=C1NC2CCC(C2)N1,0.2936 CC1C2C3CC=C1C23O,0.1768 C1CC11CC2C=CCC12,0.2607 COC(=O)COC(=O)N,0.2829 CC1CC23COC2CN13,0.2787 CN(C)C1C2OC1C2=O,0.2157 CCC1(CO1)CC,0.3484 CCc1c(cco1)C#N,0.2172 OC1C=CC2N=COC12,0.2546 c1nc(nc(n1)F)CO,0.2082 OCC12COC1C(=O)O2,0.2457 C1C2CC3C1C=CC3O2,0.2393 N#CC1CC2NC12C#N,0.26 N#CC1CC2OC2CO1,0.2922 c1cc(=O)cc(nc1)O,0.1403 OCC1=CC2CN2CC1,0.2333 COC1C2C(C)C1C2=O,0.2415 C1CN1C1C2COC12,0.284 CC12C3CC(C)(C1O)N23,0.3056 CC1(O)C2CC3CC1C23,0.3258 CC(C)(CCCOC)O,0.3133 OC1CC(O)C(C=O)=C1,0.1855 OC12CN3CC1CC23,0.2933 C1COC(=O)OCC1=O,0.2235 CN=C1OCC1CC=O,0.2237 CC1CC2(C)C(O)C2O1,0.3091 CNc1ncc(o1)C#N,0.1902 COC1C=CCC1(C)C,0.2621 c1c[nH]cc1CCC=O,0.1937 O=C1CCC2(NC12)C#C,0.206 C1CC1C(=O)C#CCO,0.2075 C1CC1C1OCCC=C1,0.266 OCC1=CC2C3OC2C13,0.2241 CC(=O)C(=O)C(O)CO,0.159 CCc1cc(on1)OC,0.2391 COC1C(=O)CC1(C)C,0.2027 C1CC2OC=NCC2O1,0.2702 CC1=CC(=O)C2CN2C1,0.1834 COC1CCC2NC12,0.3074 CC(C)OC(CO)CO,0.3184 C1NC1C1OCCO1,0.3291 C#CC1C2CC3CC3C12,0.2788 CCC(C)C(C)(O)CC,0.3255 CCC(NC)(C=O)C#N,0.2159 CC1C2C3N1C2C31CO1,0.3065 CC(C)OC1CN2CC12,0.3037 COC1C2CC1C2CO,0.3194 O=CC(=O)C1CN2CC12,0.14 CC#CC1(CC(=O)C1)O,0.2172 CCC(=O)C1CC1(C)O,0.2298 COC1CC=CC11CN1,0.2434 OCC1=CC2(O)CC2C1,0.2438 CCNC(=O)CC(=O)C,0.2118 CCC1=CC(CC1)OC,0.2576 OC1C2CC2(C=O)C1=O,0.1949 C[NH+]=CN(C)CC([O-])=O,0.2466 CC1(CC(C1)(C)OC)C,0.3187 CC1(CCN=CO1)C#C,0.2694 OC12C=CC3C4C1C2N34,0.2329 CC12CC1(O)COC2=O,0.2702 CN(CCC=O)C=O,0.212 CC1(C)C2C3C=CC1C23,0.2323 COc1cc[nH]c(=O)n1,0.1982 OCC1CC=CC1O,0.262 CN(C)CC(=O)CC=O,0.2023 CC(=O)Cc1ccoc1,0.2127 CC(O)C1CC1N1CC1,0.307 C1CC1N(C=N)C(=O)N,0.2403 CCC1(CC1)COC,0.3309 CC(C)N=CNC(=O)C,0.2286 NCC1(CC(=N)O1)C#N,0.2596 CC(=N)OC(=O)C1CC1,0.2414 NC1=NC2CC1(O)C=C2,0.2123 Cn1cnc2c1c[nH]n2,0.21 CNC(C#N)C(O)CO,0.2809 CC1CC(C)C=CC=C1,0.1884 CC12OC3CCC1C23,0.309 CC1CCC2C1C2(C)C,0.331 CC(O)C(O)C(O)C#C,0.2761 OCC12CC(C1)C2O,0.3125 CCC#CC(C)(O)C#N,0.2743 COC(=O)NC(C)CO,0.3062 O=CC1OCC(O1)C#N,0.211 Cc1c(con1)CC#C,0.2505 CC1C=CC2C1C2(C)O,0.2362 CCC1(O)CC2OC12,0.3144 CC(=O)C1C2NC2C1O,0.2256 CC(CO)C(=O)OC=N,0.2498 C1CNc2c1c(no2)O,0.2276 CN1CC(N=C1N)C#N,0.2547 C#CCCc1[nH]ccn1,0.2493 OC1CCCC11COC1,0.2961 CC(C)C1OC1(C)C#N,0.2988 OC1C=CC(C=O)C1O,0.21 O=CNCC1C2CCN12,0.2559 CC1(C#N)C2NC2C1=O,0.2129 CN=COC(C)C1CC1,0.2737 CC1CC2(O)C(C=O)C12,0.2158 CCCC1=CCOCC1,0.2591 CC(=N)OC1=NNN=N1,0.2546 COC(CN)(C#C)C#N,0.2384 OCC1(CO1)C(=O)C#N,0.1903 Cc1cccn1CC#N,0.2191 CCC(C)C1(CO1)C=O,0.2202 N#CC1C2C3CC2N13,0.2645 CC12NC(C=C1)C2=O,0.246 CC12NC(C1C#N)C2=O,0.2471 CNC(=O)C1OCC1C,0.2643 CC12CC1(O)C1OC21,0.3099 C1CC2=CCC3OC23C1,0.24 CN1CCN=C1C#N,0.1873 O=C(CC1CO1)C#N,0.1954 OC1CC2OC2C2NC12,0.3071 C1OCC23NC12C1OC31,0.3079 C1CC(=CC(=O)OC1)N,0.2033 CC12C3C=CC1C=CC23,0.2342 C1CC23CC1CCC2O3,0.3293 CC1CN2CC2CC1O,0.2723 CCc1c(n[nH]n1)OC,0.2313 C1C2CCC11C=CCC21,0.2493 CC(=O)CC#C,0.2275 OC1CC11COCCO1,0.3068 CCC1(C=CCO1)CC,0.2481 CCN1CC(C)OC1=O,0.301 COC(=O)n1cccn1,0.2301 Cc1c(cccn1)N,0.1998 OC1C2CC3CCC2C13,0.3325 OCCC1C2C3CC2N13,0.308 C(CNC(=N)C=O)C=O,0.1735 Cc1cnn2c1NCC2,0.2337 N#CC1C2OC2C2CN12,0.2701 CCOCC(=O)N,0.2737 C(=O)C(=O)N(C=N)C=N,0.159 [NH3+]C(CO)CCC([O-])=O,0.2722 CC1=CC(=O)CC2OC12,0.1837 OCC1CC(=O)CCO1,0.2239 CC12COC(C1)C(=O)C2,0.2091 OCC12CC(C1)C21CN1,0.3033 C1OC1C12OC1CC=C2,0.247 Cc1c[nH]nn1,0.2526 C1CN1C12CC1OCC2,0.2966 NC(C#N)C(CO)C#N,0.2889 CC1(OCCC1O)C#N,0.297 CC12COC1C(O)C2O,0.2844 CC1CC11OCC1=NO,0.2242 COC1C2C3OC3C12,0.2738 CC1=C2CCC2OC1,0.2342 O=CC1C2C3C4C2C1N34,0.2058 N=C1CNCCOCO1,0.245 OCC1C=CCOC1=N,0.2468 CC12C3N4C1C2(C)C34C,0.2754 CC(C)(O)C1CCO1,0.3246 O=C1C2C3CC1CN23,0.2187 N#CC1CN2C=CC=C12,0.2342 CC1COCC=C1C#N,0.2221 Cn1ccnc1C#C,0.2029 Cc1cnn(c1)CCO,0.2519 Cc1cnc(o1)CC#N,0.2334 CCN1C2CC1C2=NO,0.2518 COC1CCOCC1=O,0.2024 CC(C)C(C)(C)C1CO1,0.3399 COC1(C)CCC1C#C,0.2948 OC1CCC2(CO2)C1=O,0.206 CC1CC2(C)OCCC12,0.3139 CC1(CO1)C1CC2OC12,0.3269 CC1C2OCC(=O)C12C,0.2187 CC1CC2C3CC1C23C,0.3241 CC(C)(O)C(C)(O)CO,0.3102 CNC(=O)N1CC=CC1,0.2373 CC1C2CC1CC=CC2,0.2709 CC1C2C3CC2C13,0.3808 CC1CC2=C(C)COC12,0.2335 c1c[nH]c(c1C(=O)N)N,0.1975 OC12CC1(C=O)C=CC2,0.2044 CN=C1OC2CC12,0.2724 OC1COC=NC1C#C,0.2646 CC(=O)N1CCCC1=N,0.2267 Cc1c(ncnc1C)C,0.2162 CC(C)CC1(C)CO1,0.3401 CCC1OC1C(N)C#N,0.2953 OC1=CC(=NN1)C1CO1,0.2435 CC1CC(O)C2(CC2)O1,0.29 CCC1N(CC1=O)C=O,0.2147 C1C2C3C4CN2C13C=C4,0.2337 COCC(C)C(O)C#C,0.2819 CC1CC23CCC2(C1)O3,0.326 CNC(=O)CC1CCO1,0.2716 NC1=CC(=O)C2COC12,0.2023 CC1CC(CO)O1,0.322 C#CC1CN2CC(C2)O1,0.2483 CC1NC1C(C#C)C#C,0.2861 NC1=C(NC=C1)C1CN1,0.2214 Cc1cc(n(n1)C)O,0.2557 C1NC11C2OC1C=C2,0.2318 CC1CC2(CC2)C(=O)N1,0.2725 CC1(OC2CC12)C#N,0.2729 CCC(=O)NC=N,0.2432 CC1C2NC2C1(O)C=O,0.2008 COC=Nc1cnno1,0.1845 OC1CC=CCCC1=O,0.2139 NC(=O)C1CC2CCC12,0.2691 OC1CN2C=NC=C2C1,0.2491 CC1NC(CC1=O)C#C,0.2205 CCCC(C)C1CN1C,0.3019 N=C1NCC2=C1N=NO2,0.1635 c1c(nc[nH]1)OCC=O,0.184 CN=CN(C)C(=N)C=O,0.1482 CC1C2CC3C(C1O)N23,0.2888 N=COCC1CC(=N)O1,0.2783 CC#CC1CN1CCO,0.2621 CCC1C2CC1(C2)C#N,0.3272 C#CCC(CC#N)C#C,0.2871 CC1C2OC3C(O2)C13O,0.2881 CC1=CN=C(OC=N)O1,0.2203 C1CC1C12CC1C1OC21,0.2824 CC12CC(CO)C1CO2,0.3111 CC1(CO)OC2CC1C2,0.3248 CC1(CO1)C12CN(C1)C2,0.3043 CN1CC23CC1C2CO3,0.2616 OC1C2CC2C11CO1,0.307 O=CC12NCC3C1NC23,0.1994 CCC12CC1C1(C)CC21,0.287 CC(C)(C1(CC1)CO)O,0.3289 CC12NC3C(C1O)C23O,0.2776 C1NC11C=CCC11CO1,0.245 COC1C(O)C11COC1,0.2935 CCC12C(O)C1C1OC21,0.2804 CC1(CCCCC1)CO,0.3354 OC1CCC2(CO2)C1O,0.3044 C(C(CO)NC(=O)N)O,0.2962 COC1COC(C1)C#N,0.2862 c1c(c(n[nH]1)O)C2CC2,0.2338 c1cnnc(n1)CC=O,0.1643 Cc1cnc(cn1)NC,0.1741 O=CC(C#N)C1CO1,0.2225 OC12CC1N1CC=CC21,0.2223 CCC(=O)C(O)C(C)C,0.2382 CC1C2C3C4C1C2C34O,0.3057 CC1C(C)(O)C1(C)CO,0.3033 CC12C3CC1(OC23)C=O,0.1989 COCC1(CN1C)C=O,0.2114 O=CCC12C3CC1CC23,0.2176 C1CN1CC2=CCOC2,0.244 CC1COCOCCO1,0.3329 CC1=C(COCC1)C,0.2553 CC(C)C1C2C3OC1C23,0.3036 C1CC2(C1)CC1OC21,0.3318 CNC12CNC1C2C#N,0.2662 CC1C2CCC22OCC12,0.3021 C1C2C1C1OCCOC21,0.314 CCC(OC=N)C#C,0.2826 CCC1(OCC1=O)C#N,0.2205 CC12CC1C1(CC1)C2O,0.3153 CC1(CO)NC1C1CO1,0.2981 CC12C=CCC1CC2O,0.2504 CC1(C#N)C2CCCN12,0.2754 OC1CCNC(=O)C=C1,0.2068 OCC1OCC11CCC1,0.3038 C#CC1CC1CC1CC1,0.2901 C1C2C=CC11N=COC21,0.2304 CC(C)C(=O)CC#C,0.2294 c1c(c(ncn1)CO)N,0.1872 CCCc1[nH]nc(n1)O,0.246 C1C(N=CO1)(C=O)C=O,0.1853 CC1CC2C3CC1C2O3,0.3203 CC1CCC2(NC12)C#C,0.2673 CC1CC11C2OC2C1C,0.3331 OC12CCC1OCC=C2,0.2376 CC1(C)C2CC1COC2,0.3185 C1OC2C3NC3C2=C1,0.2247 OCC1(CC2NC12)C=O,0.2058 CC1(O)CC(=O)NC1=O,0.234 CC(CC#C)C1CC1,0.3131 CC1OC11CC2NC12C,0.3044 CC1CC=CC=CC1C,0.1906 COC1CC2C1C2(C)O,0.3121 CC1(CC2(CC2)O1)C#N,0.262 CC1=CCC2CCC1C2,0.2576 C1C2NC2C11CC2OC12,0.3103 CC#CC1(O)CC1O,0.2649 NC12CC1CC2(N)C#N,0.2676 O=CNC(C#N)C1CO1,0.2763 CCNC(=O)C#CCO,0.2344 O=C1CC2CCC(=O)N12,0.2317 CC(C)n1c(ncn1)O,0.2663 CC(N=COC=O)C#N,0.2448 OC1CCCC=C1C=O,0.1919 CC(O)C(=O)NCC#C,0.2709 CC(=O)c1c[nH]cc1N,0.1636 CC(=O)C1CN1,0.2334 CN=C1OCC1C(C)=O,0.2271 C#CC#Cc1ccco1,0.1672 O=CC(NCC#C)C#N,0.2093 CN1C2CC2C1C#N,0.2417 N1C2C3OC2C2OC3C12,0.2606 CCCC(O)C(C)(C)O,0.3121 O=CC1CC2NC12C#N,0.2094 O=C1CNC2C3CC12N3,0.2048 CCC(=O)NC(=N)CO,0.2451 CC(COCC#N)C#C,0.2783 C1C2CC3OCC3=CC12,0.2445 CCCCC1CC1(C)O,0.3242 CC12COC3C4C3C1C24,0.2865 O=C1CC2CNC12C#C,0.2004 CC1(C)CCC(N1)C#N,0.2702 OCC1CC(=O)N1,0.2787 O=CC1C2CC1COC2,0.2223 OC1CC2C3C2C(=O)C13,0.2343 C(CCO)CNC=O,0.2824 [O-]C(=O)C1C2C3[NH2+]C1C23,0.2567 CC1(CC1)CC(=O)NC,0.2721 CC1OC(=O)CC=C1C,0.2571 Cn1cnc(n1)CO,0.2566 O=CC12COC1COC2,0.2211 CCC1=CC2CC1(O)C2,0.2354 C#CC12CC3CC1C3O2,0.2656 c1cnn2c1NC(=O)C2,0.2093 CC1C2CC(=O)C12C#N,0.229 OC1C2OC3OCC2C13,0.3312 C1OC2CC1OC=NC2,0.2608 COc1ccncc1F,0.2297 CN1C=COC(=N)C1=O,0.1778 N=C1OC2CC1C1NC21,0.2783 CN=c1cccc(o1)N,0.1618 CC12C3C(O)C1C(=O)N23,0.2449 CCC#CC1OC1C=O,0.2139 CC1(CO)OCC11CN1,0.3023 C1CN1C1CC11COC1,0.2965 CC1OC(=N)C2CC1O2,0.269 COC1(CC1)C#CC#N,0.2164 C1CC2=CC3COC3C12,0.2432 CC1=CC(=O)OCC1,0.2184 O=CC1OC=NC1C#C,0.2198 CC1C=CCC2(C)CC12,0.2634 COC1C2CCC1N2C,0.3005 CC12CC(C#C)C1CO2,0.2853 C1C2OC3C4C3C2C14,0.3099 COC(=O)C(N)CCO,0.238 CC(CC#N)(C#C)C#C,0.2858 CN=C1OCC1C(C)C,0.2788 CC1C2CC1C2NC=O,0.2761 CC1(O)CC2CC12C#N,0.2846 C(COC=O)COC=O,0.2846 N=C1OCC2NC1C2=O,0.2198 OC1CC23CC12CCC3,0.2993 OC1C(=N)OCC11CC1,0.288 c1c([nH]c(n1)NC=O)O,0.1855 CCCC1=COC(=N)N1,0.2227 CC(N)C1(CN1C)C#N,0.2716 CC12OC3(C)C1OC23C,0.307 COCC#CC#CC=O,0.1789 C#CCC(C#C)C1CC1,0.3029 OC12CCC1CCOC2,0.3179 NC(=O)C1COCC=C1,0.2437 COCC12CC1CC=C2,0.2469 CCC1OC1C1(C)CN1,0.3184 O=C1CCC(N1)C1CO1,0.2736 CCCCOC(=O)C,0.2849 OCC1C2CC1C1CC21,0.3259 CC1OC2C(=N)NC12C,0.2519 OC1COC2CC2C1,0.2963 CC12CC(CO)(CC1)O2,0.3216 CCNC(=[NH2+])C([O-])=O,0.1978 OC1C(CC1=O)OC=O,0.2162 COC1(C)C=CCC1=O,0.216 NC1C2OC=NC12C#N,0.2308 CC(O)C(O)C1(O)CC1,0.3035 CC1=CCC2CCC=C12,0.1966 c1c([nH]c(n1)CC=O)O,0.1584 CC(C)c1[nH]cc(n1)O,0.2278 CC1C2CCC12C=O,0.2255 CC1C2C=CC11CCN21,0.2153 O=CCC1OCC2CC12,0.226 CC1OC(=O)C=CC1O,0.2124 CCN1CC1C1COC1,0.3059 OC1(C#C)C2C3CN3C12,0.2495 N#CC1OC1CN1CC1,0.2424 CC1(OCC(=O)O1)C#C,0.275 O=C1OC2(CC12)C1CN1,0.2459 OC1CN2CC(C#C)C12,0.2639 CCOCCCCCO,0.3284 OCC1C2CC2N2CC12,0.2971 OC1CC2=CCCCC12,0.2572 C#CC1=CCC2COC12,0.2086 C1COc2c1nc(o2)O,0.2263 CC12CC3C(O1)C23C#N,0.2611 Cc1cc(c(cn1)F)N,0.2182 OC12COC(C1)C=CC2,0.247 C1C2CC3CCCC12O3,0.317 CC1CC11OCC(C)=C1,0.2258 Cn1ccnc1N(C)C,0.2355 C1C2CCC3OCC12O3,0.3214 NC(=O)CC(=O)OC=N,0.2156 CCC(=O)OCC=O,0.2289 OCC1CN2C=CN=C12,0.2498 OC1CC1C1CC(=N)O1,0.2569 OC12CC3CCC1CC23,0.3247 C1CC1OCC2COC2,0.3303 CC1C2OCC22COC12,0.3034 c1c(ocn1)C#CC=O,0.1666 OC12C3NC1C3C2C#N,0.2773 CC1=NCC(CC#C)O1,0.2711 C1CC23CC4CC(C12)N34,0.2956 Cc1cc(=O)[nH]nc1N,0.1606 CC1OC2C3OC3C=C12,0.2308 COC1CCOC(C)C1,0.3318 N=C(CN1CC1)OC=O,0.2315 Cc1ccc(nc1)C=O,0.18 CCOC=NCC1CO1,0.267 CC(C)C1(C)CC2NC12,0.3079 OC1CC1C(=O)CC=O,0.2059 CN=C1NN=CC=N1,0.1386 OCC12OC1CC21CC1,0.3037 CC1=CC(=O)CNC1,0.1669 C1C2NC3C2N=COC13,0.2386 OC1CC1N1CC1,0.3086 CCOC(C)(C)CO,0.317 CC1C2C3N1C2C3=O,0.2345 CCC(C#C)(C#N)C#N,0.2923 COC(=O)C1(CC1)CO,0.2698 CC1C2C3CN2C13C#C,0.254 CCc1ccc(cn1)C,0.2218 FC1=NC(=N)OC(=O)O1,0.2423 C1C(CO1)(CC=O)C#N,0.2188 OC(COC=N)CC#C,0.2765 OC(CC#C)C1CC1O,0.2698 O=C1NC2CC2C11CN1,0.2593 CC1OC1CC1CC1,0.3515 CC1C(O)C(=O)C11CO1,0.1871 CCCCOCCOC,0.3363 OC1CC2C3OC1OC23,0.3104 CC12CC3C(CC13O)O2,0.3068 OCC1CC11CNC1=O,0.2794 c1ncnc(n1)N2CC2,0.212 CC12C=CC3C(C=C1)N23,0.2105 CC12C3CN1CC2OC3,0.2911 OC1=NC(F)=NC(=N)N1,0.2048 CCC(=O)C1(CC)CO1,0.2228 CC(C)(C)C(=NO)C#C,0.2063 CC(=O)C(CO)C1CC1,0.2241 C#CC12CC3(CO3)C1N2,0.2755 CC1=CCCC2OC2C1,0.2555 CC1(O)COCC1CO,0.3072 c1coc(n1)C2CCC2,0.2393 OCC12CC1C1CN21,0.2859 CC1CC2C(=N)OC12C,0.2843 CC1=CCCCN1C=O,0.2155 OC1C2CC(CC#N)C12,0.3044 N#CC1CC2CC(C2)C1,0.3333 CC(C)C1CC(=O)O1,0.2853 COCCc1[nH]ncn1,0.2694 C1OC11CC2C3CC1C23,0.3366 c1c(cn(n1)CCO)N,0.2193 CC1C2C(=O)OCC12O,0.2646 CCn1cc(c(n1)O)C,0.2386 O=CNC1C2CC(=O)C12,0.2277 O1C=C2C=NC=C2N=N1,0.1556 CC1C=CCOC1CO,0.2671 CC1C(N)C1(N)C#N,0.2565 CCCC#CCC(C)O,0.2933 CC1NC11C2CC1(O)C2,0.3036 N#CCC1CC=CC1,0.2662 C1C=C(C(=O)O1)CCO,0.2211 COCCC(O)C1CC1,0.3223 NC(C=O)=NC1CC1O,0.1764 CC(=O)N(C)C,0.2696 CC#CCCC1CC1,0.3044 CC1C=CCC1(C)C,0.2642 O=C1NCC1C1CCO1,0.2741 CC1CC2COC2C1O,0.2946 CC12CC1(CC#C)OC2,0.2777 CC12CC(C=C1)C=CC2,0.2354 CCCC1(C)C2CC1C2,0.3638 OC1C2CC(C#N)C1O2,0.2988 OC12C3CC1NC23C#C,0.2454 CCC(O)C1C2CC1C2,0.3342 CC1(C)COC(C1)C#N,0.2935 CC1CC2CCC1(O)C2,0.3208 C#CCC1CO1,0.3095 CC1(C)OC1(C)CC=O,0.2234 O=C1CC23OC4C2NC134,0.1744 c1cc(c(=O)oc1)N,0.1632 CC1(O)C2CC1(O)C2,0.3165 CC1OCOC2C(O)C12,0.3076 CNC1=NC(=N)N=NN1,0.1771 CC1C2(C)NC1(C)C2=O,0.2449 CC12CC3C(C1)C3C2O,0.3233 c1c(non1)COC=O,0.24 Cn1cncc1C#N,0.2151 c1c(c[nH]c1NC=O)N,0.1806 FC1=CC(=N)C=NN1,0.176 COC1C2C(C)N2C1=N,0.2369 O=COC1CC=CC1,0.2647 CC1C(O)C2C(C#C)N12,0.2618 CC1(COC(O1)(C)C)C,0.3219 CC1OC2CC2C(C)=C1,0.2453 CC12CCC1=CCCO2,0.2496 Cc1cc(c[nH]1)C(C)C,0.2415 CC(=O)C1OCCC1O,0.2077 COC12CC1N1CC21,0.29 CCC1=C(COC1)C=O,0.1824 C1OCC23C=CCC2C13,0.2388 Cc1cc(cc(n1)N)F,0.209 C#CC1=CC2COC2C1,0.2077 CC1CC2OCC12O,0.304 OCC1C=CCC1C#C,0.263 CC1CC2C(CCO)C12,0.3247 CC(CCO)C(O)C#N,0.285 CC12C3C1C1=CC3CC21,0.1963 N=C1CN=CNC(=O)O1,0.2416 CNC1=CC(=O)NC1,0.2159 CC1C2C3C(CO)C1N23,0.3029 CC(O)COCC(N)=O,0.2803 OC1C2C=CCC12O,0.2315 CC1=CC(CO)N2CC12,0.2342 OCC1NCC1=NO,0.2363 CCCNC(=O)C(=O)N,0.2111 CC12COC1C2N1CC1,0.2816 O=C1C2CC1C=CC=C2,0.1617 OC12CC1C(=O)C(=O)C2,0.1507 C1CC2CCCC2C1,0.3707 CC(=O)C1C2CC2C1=O,0.2151 CC1CCC2(CO)CN12,0.3052 CC(=O)C(=NC)NC,0.1798 CC1(COC1=O)C1CC1,0.2797 Cc1c(c(=O)nco1)N,0.1799 c1cc(c(cc1F)F)N,0.1984 CC12NC1C1C2NC1=O,0.2545 CCC12CC1OC2(C)C,0.2985 CC1C2C3OC2C(O)C13,0.3079 C1CC(=O)C(=O)NC=C1,0.1756 CCCC1(O)CC1CO,0.3225 C1CC(C1)n2nnnn2,0.2698 CNc1c([nH]c(=O)o1)O,0.2263 OC1CC=C2CCC=C12,0.1948 N#CCC1OC11CCC1,0.3076 CC1C2CC(=CC12)C#C,0.1979 CC(C)CCCCC#C,0.3164 CC(=O)C1=CN(CC1)C,0.1713 CC(=NO)c1ccc[nH]1,0.1775 CCCC1OC1CCO,0.3378 CC1OC(C2CC2)C1=O,0.2172 O=C1OC2C3CCC3C12,0.2746 OC1=CN=CC(=N)N1,0.1587 NC(=O)C1C(O)C1CO,0.2528 CCC1C2C(=O)CC12C,0.2297 CCC(C)OCC1CN1,0.3212 C#CC1C2C3OC3CN12,0.2518 C1OC2CCN3C1C3C2,0.2945 C#CCC1OCC=C1,0.2437 OCC12CC3C4C1N4C23,0.2925 O=CC12CN3CC(N1)C23,0.1715 CN=C1NC(CO1)C=O,0.1815 CCNC(=O)OC(C)C,0.3129 CC1NC(=O)C2COC12,0.2657 O=C1CCNCC11CN1,0.2124 OC1CC=CC(O)C1,0.2591 OC1CC(=O)C=CC1O,0.1893 N=C1OCC2CC(=O)C12,0.2135 CC1OC(=O)NC2CC12,0.2899 Cc1ccc(c(c1)N)O,0.2007 CC1C2OC1(C=O)C=C2,0.2128 O=CC1CC=C(C1)C=O,0.1895 CCOC(=NC)C1CC1,0.2719 CC(C)(C#N)C(=O)C#N,0.2071 CC(C)N1CC(=O)C1C,0.2076 COc1cc(n[nH]1)C#N,0.2183 CC1C2C3CC(C23)C1C,0.3283 CCC(O)C1COC1C,0.3047 C1C(CO1)OC2COC2,0.3085 CC(=O)N1CC12CCC2,0.2532 C(C(=O)NC(=O)CO)N,0.2165 CC1CN=C(O1)C1CC1,0.26 CCC1OC(C=C1)=NC,0.2008 CCc1c(cc[nH]1)C#N,0.2224 CN(CC1CC1O)C=O,0.2727 CC1N2CC(C2)OC1=N,0.2457 c1c[nH]c2c1CCN2,0.2252 CC1CC=CC1C1CC1,0.2634 CCC1OC2CC2C1C,0.3058 C1C=C(CO1)C(F)(F)F,0.2351 CC(OC=O)C1CC1O,0.2799 N=C1OC2C(NC12)C#N,0.252 C1CC11C2C3CCC1N23,0.309 CC(CC(C)=O)OC=O,0.2337 O=CC1=NCC2CCN12,0.1646 OCC1C2C3CC=C1C23,0.1793 C1CC(C1)COC(=O)N,0.3231 CC1C2C(=O)NCC12C,0.2669 CC1(O)C(CO)C1C#N,0.2877 [NH3+]CCC1CC1C([O-])=O,0.2495 CCC#CCOCC#C,0.2638 C#CC(C#C)(C#N)O,0.2584 C1C2OCC3=CCCC123,0.2314 Cc1cccc(c1)C=O,0.1918 CC#CCC1(C)CO1,0.2991 OC1CC1(C#C)C#N,0.2657 CC#CC(C=O)C(C)C,0.2157 Cc1c(c(n[nH]1)CO)N,0.2151 CC1(OC1C(N)=O)C#N,0.2451 CCC(C)C(CO)C#C,0.3031 NC1=NC(=N)C(N)=CO1,0.193 CC(=NCC=O)OC,0.2229 O=CC1C2CC3CC2C13,0.2207 CC1(CCC(=O)O1)C#N,0.277 CC1C(C=O)C2NC12C,0.2043 CC12CC(C)(O1)C1OC21,0.3213 CC1=CC(=O)C(=O)NC1,0.1647 OCC1(OCC1=O)C=O,0.1906 CC12CC34CCN(C13)C24,0.3019 O=CCOC1CCC=C1,0.2271 COC(C=O)C(C)=O,0.1936 OCC1CC(=O)OCO1,0.2692 CC12CN3CC1OC2C3,0.2862 CC12NC3C1N(C=O)C23,0.2514 CC(C#C)C1=NNC=N1,0.2601 CC1CC2(C)CCOC12,0.317 N#CC1CNCCO1,0.2473 CC(=N)OC1=CON=N1,0.2169 OC1CC2C1COC2=N,0.2777 CC1OC2(CCC2)C1O,0.3005 CC(C)(O)C1(CO)CO1,0.3341 Cc1cc(no1)CC#N,0.2439 CC1CCC(O)C2CN12,0.2871 OC12CNC1C2OC=N,0.2593 CC(C)C(C=O)C#N,0.2232 OCC1=CC2CC1C2O,0.2393 CCC1(C)CC=CC1=O,0.1885 C1C2C3C=CCC1C23,0.2472 COC(C)C1C2CC1C2,0.3347 c1c([nH]c(=O)[nH]1)CO,0.2335 OC1CC=C(C1)C#N,0.2226 CC1(O)CCC(C1)=NO,0.2502 CN1C2CCOC(=O)C12,0.2363 C(CO)C#CC#CC#N,0.1926 CC(C#N)N1C2CC1C2,0.2708 O=C1NCC11CCC=C1,0.2448 CC(=NO)c1ccn[nH]1,0.1891 COC1CC2(CC12)C#C,0.2713 Cc1cc(=O)nc(o1)O,0.212 CC1CC(C)(O1)C1CC1,0.3223 CNc1cc(n[nH]1)C#C,0.2081 CCOC1(C)COC1C,0.3178 C#CC1=CC(=O)OCC1,0.1875 COCCC(OC)C#C,0.2863 CC1(C=O)C(O)C1C#C,0.2209 Cc1cc(=O)cc([nH]1)O,0.2048 CCCC(C)CC,0.383 CC1C(OC1=N)C#C,0.2756 OC1CC2(CN2)CC=C1,0.254 OCC1CC2C3C1CN23,0.2959 CN1CC11C=CC2NC12,0.2164 Cc1c([nH]c(=O)[nH]1)CO,0.219 OCC12CC3C1C=CC23,0.2253 CC#CC1(C)CCCO1,0.2942 O=CC1OC11CC2CC12,0.2176 COc1cc(on1)C=O,0.1857 CC12CN1CC1CC2O1,0.3009 NC1=C(N)C(=N)OC=C1,0.158 COC1CC11CCO1,0.2842 N#CC12CCC1OCC2,0.2924 c1nc(c(o1)N2CC2)O,0.2092 CC1C(=O)NCC1(C)C,0.2727 C#CC1C2CC(C#C)C12,0.2798 N#CCCC12CC1OC2,0.278 CCOC1C2C3CN2C13,0.3057 NC1=CC(=N)NC(F)=N1,0.1867 CCC12CC1C(O)CO2,0.295 CCC12CC(=O)CC1N2,0.2226 CN=C1CCCN1C=O,0.2304 CC12NC3C1OC2C3O,0.2847 C1CC1C12C3CC1OC23,0.3111 CC1C=C2CN3C1C23C,0.173 Cn1cc(cc1O)CO,0.2352 O=CC12CCC(=O)C1N2,0.2041 CC(C)(C=O)NCC#N,0.2193 CC12C3CN(C13)C2(C)C,0.3041 N#CC1C2NC1C2C#N,0.2762 Cn1c(nc(=O)nn1)O,0.1728 c1c(c(on1)N)NC=O,0.2132 CC(O)CC1=NNN=C1,0.2566 CCCCOC(C)C#N,0.2965 CCCC1CC(C)C1=O,0.2177 CC(CO)C#CCO,0.2852 O=C1CC2(CC2C#N)N1,0.2792 CC12C=CCC1CC=C2,0.2465 c1coc(c1C2CC2)N,0.2197 CCCCCC1OC1C,0.3476 CCC12CC1(C)OC2C,0.3015 CCC1NCC(=O)C1=O,0.1249 CC1C2(O)CC(O)C12O,0.2883 CC1=COC(=C1)C1CN1,0.2199 N#CC12C3C4C3C1C24,0.2577 CC12CC3C4C3C1C24,0.3054 c1c(c(c([nH]1)O)O)C=O,0.1783 CC1CCC(C)C(O)C1,0.3314 OC1C2C3CN2CC13O,0.2728 CC1(O)C2CC1OCO2,0.3144 COC1C2OC1C2=O,0.2373 CC(C)C1C(C)C1C=O,0.2246 CC#CCc1c[nH]nn1,0.2473 CC1(O)C(OC1=N)C=O,0.2032 OC12CC3C4C1C2C34O,0.289 CC1C=C2C3C4C2C1N34,0.1612 CC(C([O-])=O)C(C)(C)[NH3+],0.2765 NC(CC#N)C(F)(F)F,0.2911 Cc1cc(=O)cc(o1)F,0.2031 c1cc(n(c1)C(=O)N)O,0.1802 O=C1C=C(C#N)C2NC12,0.1568 C1COC(=O)CNC1=O,0.2493 C1C2C3CCCOC2C13,0.3278 OCC12NC1C1CC21O,0.2661 CC1=NC2CC2C(=O)N1,0.2276 CC1CC11CCCC1C,0.3373 NC1=NCCC1(N)C#N,0.2371 C1CC23C=CC4C2N4C13,0.2271 CC12CC3OC1C2O3,0.3305 CC1=CC2OC2C=CC1,0.2268 OC12C3OC(C13)C2C=O,0.2042 CC1C2C3CC3C12C=O,0.2037 OC1C2CN=CN2C1=N,0.2326 CC1(CO)C2C3OC1C23,0.2982 CN=C1OC2CC1(O)C2,0.2791 CC1(C)CCCOC1=N,0.2774 CN=C1OCC(C)C1=O,0.1839 CC12C3C4N1CC2C34O,0.2798 OCCC12CCC1CC2,0.3362 CC1OC2CC3OC2C13,0.3132 CC1(C)CC(=O)C1CO,0.2201 c1c(c(n[nH]1)CCO)O,0.2282 NC1=COC([O-])=C1C[NH3+],0.1345 CCC(O)(CO)C#CC,0.2798 CNC(CO)C(F)(F)F,0.3017 OC12CCCC1OC2=N,0.284 O=C1OC2C3OC2C3O1,0.2935 Cc1cc(oc1)CC=O,0.1924 CC1CC2OC3C2C13,0.3085 CN1C=C(N)C(=N)N=N1,0.1604 c1cc([nH]c1)OCCO,0.2427 O=CC1CC2OC12,0.2163 CC(C#N)N1C=CC=C1,0.232 CC(C)OCCC1CO1,0.3361 COC1(CC1)C(=O)N,0.2663 CC12C3CC1C(C)(C)N23,0.3187 CCc1ccccn1,0.2276 C1OCC23OC(C=C2)C13,0.232 c1c2c([nH]n1)COCC2,0.2511 CCC(O)C=O,0.2365 CNC(=NC1CC1)C#N,0.1886 O=CC1CCC=CCC1,0.22 Cc1ncc(n1C=O)N,0.152 OC1C2COCOC12,0.3096 C1COCCC1CC#N,0.2906 CC(C)C1NC1(C)CO,0.3035 C#CC#CC#C,0.19 C1OC2C3C4OC(C34)C12,0.2992 CC1CNC=CC1=O,0.19 C1CCN(CC1)C(=O)N,0.2863 CC1(CC1C1CO1)C=O,0.2318 CC1CCC(=O)OC1=N,0.2568 CCC(C)C1C2CCC12,0.3303 CCC1=CC2NC2CC1,0.2371 N=C1OCC(CC#C)=C1,0.2137 OC1C2OC2C2CC1O2,0.2994 OC12CC1(CC#C)CC2,0.2998 OCCC1=CCC2OC12,0.2429 NC(=O)C1CC1(N)C#N,0.2376 CC1(CC2CC2)CC1O,0.3288 CC1C2C3OC1C23C#C,0.2562 CC(CO)(C#C)C#C,0.2925 CCC1CC2(CC12)C#N,0.2878 CC1(O)C2(O)CC1(O)C2,0.3064 CCC1C(C#C)N1CC,0.2561 CN(C=N)c1ncno1,0.2201 CN=C1OC2CNC12,0.2554 c1cnn(n1)CC#N,0.2559 O=C1COC(O1)C1CN1,0.2537 OCC(O)CNC=O,0.2814 CCCC12CC1(O)CC2,0.3194 OC12CCCC1C=CC2,0.2661 CC(=O)C1COC1C#C,0.2293 CC(CCO)(C#C)C#C,0.2926 C1C=Cn2c1nc(n2)N,0.1802 C1CC2COC3C1C3C2,0.2995 CC(C)C(OC=N)C#C,0.282 CC12C(O)C1CC1CN21,0.2859 CCC(C)OC=NC,0.2738 O=C1NC2C1COC2=O,0.25 CC1C=CC23CC(C2)C13,0.2486 COCC(=O)CNC=O,0.2141 CN1C(COC1=N)C=O,0.189 CCCC(C)(C)C#C,0.319 CC#CC1CC(O)C1=O,0.2069 CC1C(C)C1(C)C#C,0.2902 C1CC(C1)(CC#N)C=O,0.2231 CC#Cc1n[nH]nn1,0.2191 OC(CC=O)C1CC1O,0.2064 CN1CC11CCC1O,0.319 CC1CC(CO)C=C1C,0.2537 NC1(C[NH2+]C1)C([O-])=O,0.2597 COC(=O)CC(C)C#C,0.2706 C1C(=O)CN1CC(=O)N,0.2068 COC1C2CC(C2)C1=O,0.2066 COC1CCCNC1=O,0.2502 CC1OC2COCCC12,0.3114 CC12OC=NC1C1NC21,0.2651 OC12CCC1NC2=O,0.2564 c1cc([nH]c1)C(=O)CO,0.1878 CN(C=O)C(=O)COC,0.2279 COC1(CO)COC1C,0.3022 OC1CC2CC1N=CO2,0.2671 CC1CCC(C#C)C1C,0.3079 c1nc2c(o1)OCC2,0.2165 CC(O)C1COCC=C1,0.2517 N#CC12CC1C1NC21,0.2471 CC(CC#N)C(O)C=O,0.2347 O=C1OCC(O1)C1CC1,0.3292 CC1(CCO)CCO1,0.318 OC1C2CC2OC1=O,0.2635 CCc1cnc(o1)CO,0.2371 CCC1=CC2OC1C2C,0.2339 C1CC=C(COC1)C=O,0.1887 N#CC1OC2C3OC2C13,0.2583 CC1=CC(=N)N(C1)C=O,0.2022 N=C1OC(=O)C=C1C#C,0.1735 CC1C2N1C1C(C)C21O,0.2818 CC(O)C1=CN=CN=C1,0.2091 CC12CC3CCC(C1)C23,0.3369 COCC(=O)C#N,0.1998 CC1=CON=C(N)C1=N,0.1801 CCC1C(O)C(O)C1=O,0.2191 c1c[nH]c2c1[nH]c(n2)O,0.214 CC12CC(C)(C1)CCC2,0.3472 OC12CCOC1COC2,0.2995 c1nc(on1)C#N,0.2261 NC(N)=[NH+][C-](C#C)C#N,0.1407 c1coc(c1CO)C=O,0.185 OC1CCC(=O)C2NC12,0.2196 CC(CO)C([NH3+])C([O-])=O,0.267 C1CNC(=O)OC1,0.3078 COC(=O)CCC1CN1,0.2575 OCC12OC1C1C(O)C21,0.2756 CC(C)C(=O)CC1CN1,0.2198 CCC1OC1(C=O)C=O,0.1956 NC1=NNC(O)=NC1=N,0.1909 N=COC(=O)CNC=O,0.2197 [NH3+]CC1=C([O-])NC(=O)O1,0.205 OCC12CC1(O)C1CN21,0.3061 CCC12CC(O)(C1)CC2,0.3262 COc1nc(c(o1)N)N,0.2237 OC12CC3(O)CC1(O)C23,0.2798 Cc1cc(c(o1)OC)N,0.2116 CC(=O)n1cc[nH]c1=O,0.1938 CC1CC2(O)CC2(O)C1,0.2971 COc1ccc(o1)C=O,0.1727 O=CN1CC1C#N,0.2512 CN1C2C3NC3(C#C)C12,0.2586 COC(C)(CC#C)C#C,0.2875 O=C1OCC2CCC1C2,0.2736 CCC1C=CC2C(C)C12,0.2421 CC1CC2(C)CCC1O2,0.3244 O=C1OC2CCC2C1=O,0.1696 N=C1OCC2CC2O1,0.2881 C1CC1C(=O)CCC=O,0.2287 CC(O)C(=O)CC(C)=O,0.2072 O=C1OC23CCC2C1C3,0.2611 CCC1(CCCO1)C=O,0.2113 C#CC(=O)C(=O)CO,0.1498 N#CCC1C2COC12,0.2933 CC1C2CC3C2(C)C13O,0.3064 CC12C3OC1C(=O)C23,0.2242 CC12OCC1C2CC#N,0.2902 CC1=CCc2c1c[nH]n2,0.2075 CC12CC3OCC13CO2,0.3091 CCC12COC(CO1)C2,0.3211 COCc1ccoc1N,0.2169 CC12COC3CC1N2C3,0.3064 CN1CC1(C)CN1CC1,0.3125 CCC1C2CC1(CO)C2,0.3374 OC12CC1C1CC1C2,0.3196 C1OC2C1C1CC2CO1,0.3237 C1OCC11C2C=CCN12,0.2283 CN=C1OC2CC2C1C,0.2662 CN1N=CC(=N1)C1CN1,0.2214 c1cnc(nc1F)CO,0.2117 OCC1CNC1=O,0.2804 CC1CCOC(=N)CC1,0.2702 CC1(NC1C1CN1)C=O,0.2037 N#CC1CC(O1)C1CC1,0.2795 CCC#CC(C)C1CO1,0.2984 CC1C2C3OC(=N)N1C23,0.2661 OC12COC(C1)OCC2,0.3168 CC(C)C1CCC=C1C,0.2585 CC1N2CC1(C2)C(N)=O,0.2383 Cc1[nH]c(=O)nc(n1)O,0.2156 OCCC1=NCC(=N)N1,0.2303 CC1=CC(OC=O)OC1,0.2559 OC1C2C3C4COC13C24,0.2992 C1CC(C1)(C(=O)N)O,0.2758 CCC1CC1O,0.3338 CN=CNc1cnon1,0.2008 CC1(NCCC1O)C#N,0.2801 O1C2C3OC=NC2C13,0.24 COC12CC3NC1C23O,0.2749 CC(C)(C)NC=O,0.2781 CC(C)C(=O)CC1CO1,0.2278 O=CC12CC1C(N2)C#N,0.2198 CC1(CCCO1)C#N,0.3021 CNc1cc(oc1)OC,0.2282 N=C1N=CON=CC1=O,0.1724 CC(C)C(=O)C(C)O,0.2332 OC1CC2C3C=CC2C13,0.231 Cc1c(nccn1)OC,0.1994 OC1=NC(=O)N=NO1,0.2679 N=COCC1=CNC=C1,0.2404 C#CC1=CCC2NC12,0.2034 CC1(CN1)C1=NC=CO1,0.2387 c1cnc-2ccocc12,0.1563 NC(=O)OC12CN(C1)C2,0.2945 OC12CCC(CC1)C=C2,0.2633 CC#CC1(CO1)C(N)=O,0.2501 CC12CC(=O)CC1O2,0.2271 CC(C)(C(=O)CC#N)O,0.2319 CC1N=C(N)C(=O)C1C,0.1834 CN1CC1C#CC(N)=O,0.2116 Cc1nc(co1)CC=O,0.212 N#CCCC12CN(C1)C2,0.2728 CC12CCC1(C#C)C2O,0.2599 CN=C1N=CN(C)C=N1,0.1802 CNc1coc(c1N)N,0.2239 Cc1c(c[nH]c1O)CO,0.23 CC1C2CC1C(O2)C#N,0.2804 c1nc(=O)nc(o1)CO,0.2151 CC1=CC2(C)OC1C=C2,0.1995 COC1(C)CC1(C)C#N,0.3022 CC1OC2CCC(C2)O1,0.3305 COc1c(nc[nH]1)N,0.2256 Cc1cc(oc1C#C)N,0.1819 CC1(O)CC2CCCC12,0.324 CC1=CC2C(C#N)N2C1,0.2292 OC(C#C)C1(CC1)C#C,0.2667 CCC1C(C)N(C)C1=O,0.2762 CC12CC1(C)C(=O)O2,0.2725 CC1(O)C2NC1C21CN1,0.2981 CCCCN1CC1(C)C,0.3052 COc1cnc(cn1)O,0.1747 CC1(C)OC2C3CC3C12,0.3142 CC(O)C1(C)CCC1C,0.3201 OC12C3OC1C3CC2=O,0.2039 CC(=O)N1CCCC=C1,0.2131 CCOC(C)(C)C(=O)N,0.2777 N#CC1C2C3C1N=CN23,0.2333 CCCCC1COCO1,0.3391 C(c1c(oc(n1)O)N)N,0.2363 C1C2OC1C1=C2COC1,0.2259 N#CC1NCC2CNC12,0.2643 c1cn2c(n1)OCCC2,0.2412 CC(=O)c1cc([nH]c1)O,0.1816 CC(C)(C=O)C1CC1,0.2252 CCN(C)C(=O)C(C)O,0.2673 CCOCC1CCC1,0.3397 C#CCC(=NO)CC=O,0.2185 CC(C)C(O)CN1CC1,0.2975 CC12OCC1C1COC21,0.2858 CC1OC2CCC1(O)C2,0.3 CCC1C2NC2C1C#C,0.2789 Cn1c(ccc1O)N,0.2357 C#Cc1cnc(o1)CO,0.1991 CCC1OC2CN(C)C12,0.29 CC1(C)C2C3C(O)C3N12,0.2692 c1nc(n(n1)CC#N)O,0.256 COC1CCOC1C#N,0.2833 CC12C3OC4C3N1C24C,0.3027 N#CCNC1CC1C#N,0.2662 CC12CC3CC1CC2C3,0.3462 C1C2C1C1CCC2C1,0.3391 CC12CC(N1)C(=O)OC2,0.253 CCC1C2C(O)CC12O,0.3101 C1CC2C3COC2C1O3,0.3167 O=C1C2C3NC4C3N2C14,0.2112 COC1C(C)CC1C#N,0.2913 CC1C2COC12C1CC1,0.2989 CCN(CC#N)C(=O)N,0.2646 COCC1C2C=CC1C2,0.2363 CN1C2C(CO)C1C2=O,0.2442 CC1=CC(=N)ON=N1,0.1642 CC1CC2(CN1C2)C#N,0.2691 CC12OC1C1OCC1=C2,0.2313 C1CNC2=C(N1)ON=N2,0.1566 CC1=NC=NC=NC1=N,0.1702 CC1=CC(=N)N=NO1,0.1645 CC1CCC(CO)OC1,0.3291 CC12NC1C(O)C2=O,0.2016 COCc1c[nH]cc1O,0.2427 COC1(C)CC1CC#C,0.3107 OCC1C2CC1C2=NO,0.2707 O=C1C2C3N2C1C31CC1,0.2283 Cc1c[nH]c(c1NC)O,0.2404 Cn1cc(c(c1O)N)N,0.2217 Cc1c[nH]c2c1CCO2,0.2337 CC1CC2NC2(C)CO1,0.3084 OC1C2C3CN3C12C#C,0.2346 CC1COCC1(C)CO,0.3115 C#CC1(C#C)C2COC12,0.2528 OCC1=NC2CC2O1,0.2642 N#CC12CC1CO2,0.2541 CN1C=C2CCN2C1=O,0.2208 c1(nnon1)N=C(N)N,0.1829 CC1(O)CC1OCC#N,0.2626 N#CC12CC1OCC=C2,0.2417 CC12OC3C1C1CC1C23,0.3169 C1C2CC1C1OC1C=C2,0.2376 CC1=CC2CC1C(C)=C2,0.2147 CC12CC1C1CC2C1,0.3378 OC1CCC2(CO2)C=C1,0.2444 CC1CCC2CC2OC1,0.3139 CN1CC1(C)C1(O)CC1,0.3004 CC(=O)NC1(CC1)C=O,0.2197 CC(O)C(O)(C=O)C#C,0.1998 CC12CCOCC1(C)N2,0.3065 CCC(=O)C#CC,0.2094 OC12CC1C1OC2C1=O,0.2363 OCCC12NC1C1OC21,0.2742 c1[nH]nc(n1)NC2CC2,0.2261 CCC1(C)C(C)OC1C,0.3149 O=CC(=O)N1CC1C#C,0.1679 C#CC1OCC2CC1O2,0.277 C1CCN=C(C1)OC=O,0.2369 CC12COC1C1CC2C1,0.3228 CC1C(C)N1CC(C)=O,0.2171 OC1C(O)C1(C#C)C#N,0.2606 CC1CC(C)(C)CO1,0.3131 O=C1CC2C3C4C(C14)N23,0.2093 CC(C#N)C1=NCCO1,0.2625 CC1CC2(C)NC(=O)C12,0.2671 CC1(CNC1=O)C(N)=O,0.2561 C#CC1CC2CC1O2,0.2931 OC1C=C2CN3CC1C23,0.2039 CC(=O)C1(O)CCC=C1,0.2177 COc1c(con1)CO,0.2525 CN1C2CCC12CO,0.3289 CC(C)Oc1nnon1,0.2159 CCC1CC(C)=CCO1,0.2622 CC1C2C3OC4C3N1C24,0.2926 c1cnc(nc1)CCO,0.2086 CC(=O)NC(=O)NC,0.2407 COC12CC(C1C)C2C,0.3341 CC1=CC2CC3OC1C23,0.2357 CC1C(O)C2NC12CO,0.2982 C1C2CCOC=NCC12,0.2527 CC1=C(C=O)C2CC2N1,0.1741 NC(=O)CC1(CN1)C#N,0.255 CC1(O)C2CCC12CO,0.3017 OC1C2OCC2OC1=N,0.2738 CC1C2C3C(O)C1C23O,0.3058 CC1OC2C3C2C1C3O,0.3032 CN(C)C1CC1(O)C#N,0.2666 Cc1c(nc([nH]1)C=O)N,0.1536 CC1(CC1CC#C)C=O,0.232 C1OC11CC2C3OC2C13,0.3157 CC1(CC(C1)(C)C=O)C,0.227 CCC1C2COC2C1=O,0.1971 CCC1(O)CC1(O)CO,0.3007 CC1C=CC2(C)OC12C,0.2459 c1c(cn2c1CC2)CO,0.2445 CC1CC(CN2CC2)C1,0.3178 NC(=O)OC1CCCO1,0.3224 C#CC#CC(C=O)C=O,0.1802 Cc1cnc(o1)C(=O)C,0.1877 NC1=C(C=CN1)C1CN1,0.2331 C#CCC1CC2(CC2)O1,0.2789 CC12OCCC1C1CC21,0.3198 Cc1c(nc[nH]c1=O)C,0.1895 CC(C)C1(CN1C)C#N,0.2758 CC(=O)C1C2CN=CN12,0.2081 N#CC1OC1C1CN1,0.2467 O=CC1C2C3C2C(=O)C13,0.2084 CNc1c(con1)OC,0.2244 CN1C2CC1C21CC1O,0.2727 OCC12CCOCC1N2,0.3137 N=C1CCC(O1)C1CO1,0.2879 OC12CC(C1)OC2=O,0.2786 OCC1=NC(=N)C=NO1,0.1993 CC1(C)CC(=O)C1C=O,0.2117 CC1C(C)(O)C1(O)C#N,0.2662 CC(C)CC(=O)N(C)C,0.269 CC12CC(C)(O1)C2(C)C,0.3077 N=C1OCC1CC=O,0.2251 CC1(CN1)C1CNC1=O,0.2802 CC#CC(C)C1(C)CO1,0.2992 COCC(C)(C=O)C#C,0.2231 C1C2CC1C1OC2C=C1,0.2452 CC1CC2CC1(O2)C#C,0.2688 CC1=CC(=N)OC(=O)O1,0.2138 N#CCCNCC1CO1,0.2792 N#CCNC1C2CCC12,0.2574 C#CC1OC1C1CC1,0.2759 C#CC1OC(=O)C(=O)O1,0.2103 COC1CC1(OC)C=O,0.2149 CC1NC1(C)C#CCO,0.2576 CC(C)C1OC(=N)C1N,0.2685 CCC1=NC=NC(=N)N1,0.1783 NC(=O)C(CCO)C#C,0.2692 CN=CN(C=N)C=O,0.2253 c1cc(nc(c1N)F)N,0.1771 OCC12CCC1OC2=O,0.276 CC1CNC(=N)C(=O)N1,0.2058 CC1(CC(=O)C#N)CO1,0.196 CN1CC(C1)(C#N)O,0.2429 CC1CC23CC(O2)C3O1,0.3133 CC1C2CC3CC1CC23,0.3501 CC1OCCNC1=O,0.2607 OC1CC11COC1C=O,0.2089 COC12CCC1CC2=O,0.1972 OC1CNC(=O)COC1,0.2527 CCc1cc(oc1)C=O,0.1851 CNC(COC=N)C#N,0.2576 CC1N2C=NC3C2C13N,0.211 ON=C1CC2(CO2)C1,0.2455 Cn1cc(nc1C=O)N,0.1513 OC(C#N)C1OCC1=O,0.2255 CC1=CCOCC(=O)N1,0.2127 CC1OC(C#N)C2CC12,0.2961 C1CC2C3NC3C2CO1,0.3016 N=CN1CCC(=O)C1=O,0.1587 N=C1OC(=O)CCC1=O,0.1891 CC1(O)C=CCC1O,0.265 CC(C)(C)CC(C)(C)O,0.3194 NC=[NH+]CC(O)C([O-])=O,0.2586 CCOCC#CC,0.2843 c1c[nH]c2c1OCCC2,0.2272 CCC(O)C#CC#N,0.2378 OCC1(O)COCC=C1,0.2557 O=CNC1=CC2CC1C2,0.1958 CCC(=O)CN1CC1C,0.1962 CC12COC1CCC2,0.3216 COC(CC(C)C)C=O,0.2137 OC1C2C(O)C1C2=O,0.2291 O=CCNC(C=O)C#N,0.1984 COC(=O)C1CC2OC12,0.2748 CCC(=O)NC(C)C,0.2779 CC1CC(=O)C(O)C=C1,0.2107 COC(C)CC(F)(F)F,0.3365 N=C1NC=NCC2OC12,0.2225 C1C(O1)(CCO)CCO,0.3344 CC1OC23COC2C1C3,0.2823 CC1NC1(CC=O)C#C,0.2179 c1nc(c(=O)[nH]n1)C=O,0.1308 COC12COC1C=CC2,0.2514 CCOC1CC1(C)OC,0.3182 C#CC1(CCC1)CO,0.2977 OCC1CCOC(=O)N1,0.3022 C1NC1C1=NON=C1,0.2314 CC(C)CCC1CCO1,0.3254 NC(=O)OC1CCC1O,0.3071 COC(C)C(=O)CCO,0.2293 C1COC(O1)CCC#N,0.3081 CC1C2CC1(C)C2=NO,0.2702 C#CCNc1cnoc1,0.2132 CN1CCOC(=O)C1=N,0.1905 CC1=NCC2(CN12)C#C,0.244 COCC1C(O)C1(C)O,0.2983 CCC(=NC)NC=O,0.2306 OCCOC1CCC1=O,0.2031 OCC1CN1C(=N)C=O,0.1689 NC(=O)NC1CCC=C1,0.2537 CCOc1cocc1N,0.2286 CC12CN1C(C#N)C2N,0.2521 N=C1NC=C(O1)C#N,0.1791 CC12CCC11CC2C=C1,0.2277 C1C2OCCC=CC12,0.2515 O=CC12C3CC=C1CN23,0.1746 O=C1CCCC1C#C,0.2125 CC1(CN=C(C1=O)N)C,0.183 CC12C3C4C(N14)C23C#C,0.234 C#CC1=CC(=NO)CC1,0.1623 CC1(C)CC(N)C(=O)O1,0.2534 CC12OC3(C#N)C1OC23,0.2529 CC12CC1(C#C)C(=O)C2,0.2278 CCC1=NC=NC(=N)O1,0.1844 CC1(CC(=O)COC1)C,0.2116 CCNC1=NOC(=N)N1,0.2476 OC1C2CC(C2)C11CN1,0.3044 CC(=O)C1(CCC1)C#C,0.223 CC12CCN=C1OCO2,0.2686 COC1(C)C2CCC12O,0.3102 CC(O)C#CC1CC1C,0.2726 CC1CC(=O)C(=N)O1,0.1897 O=C1CC2C3CCC2C13,0.2282 COC1OCC(C)C1O,0.3319 OC1C2C3C2C2(CN2)C13,0.3132 Cc1cc(cn1C)CO,0.2375 NC12CCCC1OC2=O,0.2625 CC1(C)C2CC2C1=NO,0.2455 CN1CC2C3N2CC13C,0.2814 CC(C=O)C1(CO)CN1,0.2075 C#CC12CC(O1)C1NC21,0.25 Cn1c(cnn1)C2CC2,0.2465 C1C(=CC(=O)N1)C(=O)N,0.1883 CCC1CC2NC12C#C,0.2527 OCC1(CO)C2CC1O2,0.2907 CN1C2CC3C2N3C1=O,0.2593 C#Cc1cnc([nH]1)C#C,0.1799 C#CCn1cc(nn1)O,0.2239 CC1CC2C1N2CC=O,0.2232 CC(C)(C=O)N(C)C=O,0.2046 COC1CC(=O)NC1=N,0.241 Cc1[nH]c(=O)cc(n1)F,0.1981 CCn1ccoc1=NC,0.2143 CC1(O)CC1OCC#C,0.27 CC1C(N1C)C(C)=NO,0.2341 CC12NC(C1O)C2C=O,0.2025 CC#CC1CN1C1CC1,0.2632 CCC(=O)C(=O)N,0.1788 O=C1C=C2COC3C1C23,0.1683 CC1=CC2C=CC3C1N23,0.2125 COc1cc(c(o1)O)N,0.2166 CC1C(O)C1CCC#C,0.3033 C1CC1(C#N)O,0.2964 C1OC1C1=NON=C1,0.2397 OC1C2CN2C(=O)C1O,0.2403 CC1(CC1C=O)C#C,0.2173 CC(C)CC1CC1C#N,0.315 O=CCNC1CCC1=O,0.2025 CNC1(COC1)CC#N,0.2632 CC1(CO)C2C=CCN12,0.2267 CCC(COC)OC=O,0.2635 CC1(CC1)C2COC2,0.3207 OC12C3NC1CC23C=O,0.2172 CC12CC1(N)C(O2)C#N,0.2373 Cc1c(ncn1C=O)O,0.1642 CC1OC2C1C=CC2O,0.2551 CCC1=CC2C3CC1C23,0.2333 C1C2CC3COC2C1O3,0.3159 CC(CO)C(C)OC=O,0.276 CC1(OC(=N)C1O)C#N,0.2802 CN1C(C#C)C1(C)C#N,0.2459 CCCOCC(=O)CO,0.2245 CC1=C(C=CCC=C1)C,0.1819 CC(=O)C(O)C(=O)CO,0.2098 CC1C2CCC1(O)CC2,0.3246 C#CC(=O)c1ccco1,0.1714 CC1=C(COC1)NC=O,0.2062 CC(C)OC1CC1C#N,0.2943 C1CC2=CCCC=CC12,0.2468 CC1(C)CC1C(O)C#C,0.2915 Cn1cc(cc1C#N)N,0.1812 CC12CC3CC1C23CO,0.2933 COC(C)C1CC=CC1,0.2654 Cc1c(=O)ccccn1,0.1522 C(=O)N,0.2845 CC1CC2CC(O)CC12,0.3159 OCCC1(CN1)C1CN1,0.3029 CN=C1CC(O)CO1,0.2759 C1CC12CN(C2)C=O,0.2653 CC12CC3C4C1N4C23,0.3019 CC12CCN3CC(O1)C23,0.279 C1C(=O)CN1CCC#N,0.2139 C1C2OC3=C(ON=N3)C12,0.1855 CC(C)(C)C(=O)C#C,0.2025 Cn1ccc(c1)CO,0.2417 CC12CC=CC=CC1N2,0.1805 C1CC1(C2OCCO2)O,0.3196 CC1CC=CC(C1)C#N,0.2647 O=C1NC2COCC2N1,0.3008 C[NH2+]C(C)C(=O)C([O-])=O,0.1736 CC12OCC3(O)C1NC23,0.2853 CC1NC1(CO)CCO,0.3135 O=CCC1COCC1=O,0.2074 C1CC1C#CCC(=O)N,0.2665 CC1C(CC#C)C1C#C,0.2876 CC1OC2CC(=O)C=C12,0.1906 O=C(C#N)C1CC2CC12,0.1888 CCOC(C)(C)C#CC,0.2936 CCc1ccoc1,0.2423 OC1C2CC(OC12)C=O,0.2126 O=CC(=O)C1=NCCN1,0.1335 OC1CC2OC(=N)C=C12,0.2049 CC(C(O)CO)C(C)=O,0.2312 Cc1nc(n(n1)C)C#N,0.2168 OC1CC2(CC2)C2NC12,0.3051 CCC12OCC1C2(C)O,0.2973 Cn1cc(cn1)NC=N,0.2146 COC(=O)C(O)C(N)=O,0.2576 CC1CC1C(=O)CC=O,0.2082 CCCC12CN(C1)C2C,0.3017 CC1N2C3CC1(CO)C23,0.2887 CC(=O)NC1CC1,0.2717 CC1(C)CC2(CC2)C1O,0.3179 CCC1CC2(O)CN1C2,0.2928 CCOC1(C)CC=CC1,0.2653 CN=C1ON=NC=C1N,0.1655 CC(=NO)C1NCC1O,0.2426 CC1NC1CC#CCO,0.2778 CC1CC(=NO)C1C#N,0.2467 CC1(CN2CC12)C1CC1,0.3093 COC1(C)C2CN2C1=O,0.2157 CC(N)(C#N)C(N)=O,0.2622 CC12CC=CC1OC=N2,0.2524 CC#CC12NC3C1OC23,0.256 CCC(COC)C#C,0.3134 CC(C)C(O)(CO)C#C,0.2814 CC1N=COC(=O)C1N,0.2214 CC1CC2=C(NN=C2)O1,0.2418 CC1C2C3C2C2(CC2)N13,0.3092 c1coc(c1CC=O)N,0.161 CC(CC(C)=NO)C=O,0.2214 OC1CC1(O)C1CO1,0.3013 OC12C3CC1CCC23,0.3119 [NH3+]C1CC2(OC12)C([O-])=O,0.1391 OC1CC(C1)C#N,0.308 Cn1cc2c(n1)CCN2,0.209 CC(=O)N1CC1CC#N,0.2523 N=C1OC(C=O)C1C#C,0.2216 CC1OC2(CC2)C11CC1,0.3022 CCC12CC1OCC2,0.3097 CC1(O)CC1(C)C1CN1,0.3 O=CC12CC1C(=O)N2,0.2099 C#CCOC(=O)CCO,0.2798 O=CC1C2CC1(O2)C#N,0.2073 CC1C(=O)CC=C1C#C,0.2084 CC12C3C4OC(=NC14)N23,0.1485 c1c(=O)onc(n1)N,0.1474 CC1(COC(=N)O1)C#C,0.2716 CC1(CC2(O)CC12)C=O,0.2256 OC1C2C3CN2C3C1O,0.3059 O=CC1C2OCC(=O)C12,0.2057 CC1CC2OCC12,0.3165 CC1(O)CCC(=O)C=C1,0.1825 C(CC(=O)N)CO,0.2796 CC(C)OCC1CCC1,0.3321 N=C1NC(=N)C(O1)C#C,0.2497 C#CCc1[nH]ncn1,0.2712 CC1(C)C2CC(=O)CN12,0.2017 CC1CC11NC(=O)C=C1,0.2033 CC1(NC11COC1)C=O,0.2077 c1c(=O)cn[nH]c1N,0.1869 OCC1CC(CO1)C=O,0.2246 C1NC1C1=CNC=C1,0.2461 C#CCOC=NCCO,0.2544 OCC12OCC1N1CC21,0.2768 CC(C)OC(=O)CC#N,0.2863 CC1(C)CC2COC1C2,0.3141 CN(C=N)c1ccoc1,0.2139 C1NC11C2C3C4C3N2C14,0.291 O=C1C=CC2C3CC12N3,0.1734 CC1C(O)C1NCC#N,0.2564 C1CCC(C1)CCC#N,0.3497 CC1COC1C(N)=O,0.2624 CC1(C=O)C2CCC12,0.2321 CC(=O)CC(O)CC#N,0.2317 COC1C2COC2C1=O,0.1813 OC12CC=CC1NC2=N,0.2417 O=CNCC1OC1C#C,0.2651 CCOC(=N)C(O)C#C,0.2796 C#CCc1ccc(o1)N,0.2151 O=C1CNC1C#CC#N,0.2095 Cc1c[nH]c(c1N)CO,0.2176 CC1(C)CC1CO,0.3355 C1Cn2c(noc2=O)N1,0.2599 NC(=O)C1NCCC1=O,0.1983 N=COCC1=CNN=C1,0.2585 C1C2C=C3C=C1C1C3N21,0.0376 CC(=NO)CC1(CC1)C,0.2546 CCCC1C2OCC12C,0.3044 C#CC12CC=CC1N2,0.231 CN1C(=N)C=C(C)C1=O,0.1798 CCC(COC=N)C#N,0.2832 OCC1C2OC1C1NC21,0.3104 CCC12CCC1OC2,0.3041 CC1(O)C2C=CC(=O)C12,0.1818 NC(=[NH2+])C(O)CC([O-])=O,0.2621 Cc1c(cc(cn1)O)O,0.2032 O=C1C=CCC2NC12,0.1874 CCc1c(oc(n1)N)N,0.231 OC12CC3(C1)CCCC23,0.3324 OC12CN3CC=C(C1)C23,0.1917 CN1CC2OCC12,0.2866 CCCC(C)C(O)CO,0.3181 CC(CC#N)C(N)=O,0.274 CC1(CNC(=O)OC1)C,0.3022 CC(C)n1ncnn1,0.2653 O=C1CC23CC=CC12N3,0.2133 N#CC1C2C3N=CN1C23,0.2253 C1C2C1C13CCC21CO3,0.2823 C#Cc1cocc1N,0.198 O=C1NC2C3CC(O1)C23,0.2964 CC1C2C3CC2C13C#N,0.3171 CC12OCC=CC1C2O,0.2207 CCC1OCCOC1=N,0.2717 NC1=C(F)ON=NC1=N,0.078 C1NC11CC2CC2C=C1,0.229 C#CCOC(C#C)C#C,0.2601 N#CC1CNC=N1,0.249 OCC1(OC1C#C)C#N,0.2609 CC1(O)C2C=CC1C2O,0.2422 CC12CCOC(O1)C=C2,0.2515 OCC(O)C(O)CC=O,0.2309 C1CC(C=C1)(C=O)C=O,0.1921 CN(C)c1c[nH]cn1,0.2145 c1[nH]c(c(n1)OC=O)O,0.2133 OC(CC=O)C#CC#C,0.2083 CCCC1(C)CC(C)C1,0.3534 OC1C2C3NC3C12C=O,0.2079 OC12CN(CC1)C2C=O,0.2044 CC(=O)N(C)CCCO,0.2662 CCC1OC(=O)NC1C,0.3128 CC1C(O)CC(=O)C1=O,0.146 CC1OC1C#CCC#C,0.271 N#CC12CN1C1CC1C2,0.2692 CC1=CC2=C(ON=N2)O1,0.1365 CCC(C)(CC#C)C=O,0.2211 N=C(C#N)N1CCC1=O,0.2083 CC(CCO)N(C)C=O,0.2718 CC(=O)CC(=O)NC,0.2116 CCOC(C#N)C(N)=N,0.2515 CC1(CCC1)CO,0.3367 Cc1ccccc1,0.2407 CCCC(=O)C(O)CC,0.2382 CC1CCC=CC1CO,0.2643 OCCC12CC3C(C1)C23,0.3237 ON=C1CC2C3CC2C13,0.251 OC1C2CCC2=CC1=O,0.1864 O=C1CC2OC1OC2=O,0.2151 CC12OC3(C)C1C(O)C23,0.2967 C1COCC(=N1)OC=O,0.2259 CC12CC(C)(C1)C1NC21,0.3101 CC1NC(C=O)C1C#N,0.2088 COC12CC1N=COC2,0.2433 Cn1c(ncn1)N(C)C,0.2399 c1nc(c(c(=O)o1)N)N,0.1666 CCC1C(O)CN1C=O,0.2621 CCC1(C)CC(O1)C=O,0.2119 CCOC1C(C)C1OC,0.3011 CC1C=CCC2OC12,0.2677 CC1=CCC2(CO)OC12,0.2438 COC1CC11CC2OC12,0.3186 CC1CCC(C)(C)C1=O,0.219 CCC#CCCC=O,0.2194 N=C1OCC2C3CC1N23,0.2576 COC1C2(C)CC1(C)C2,0.3276 CC1C=CCC(=O)C1=O,0.1597 C1COCCC1OC=O,0.2729 CC1(CCC1C#C)C#N,0.286 CC(CO)C#CC1CC1,0.2831 CC(OC=N)C(=O)C=O,0.1453 CC1(CN1)C1CC2CN12,0.3009 CCC(O)(C=O)C#CC,0.2117 CCc1c(nn[nH]1)CC,0.2437 CC1CCC2(CO2)C1,0.3303 CC12CC1C1C(CO)C21,0.2804 CC(O)C(=O)NC(N)=O,0.2455 OCC1(O)C2NC1C2O,0.2937 N=C1OC(C#N)C2NC12,0.2644 COC1CC2CCC12C,0.3225 CCC1OCC(C)C=C1,0.2639 CC(CC#N)OCC#N,0.2967 c1cc(oc(=O)c1N)N,0.151 CC1CC11CNC(=O)C1,0.2738 O=C1NN=NC(=C1)C#C,0.1698 CC1(C)C2CC2OC1=O,0.2768 OCC(O)(C=O)C#C,0.2036 O=C1NC2C3NC2C13,0.236 CC(C)(C#CCO)OC,0.2782 C1COc2c1n[nH]n2,0.2202 NC1C2NC2C=C1C#N,0.1902 O=C1NN=NC=C1,0.1775 OC12CC3C4C1C4C23O,0.2948 O=C1NC2CC2OC1=O,0.2074 CC(=NO)c1cc[nH]c1,0.2001 CC1CN2CC2CCO1,0.312 CC1CN1CC(N)C#N,0.2709 OC1C2C1C1C3CN1C23,0.2968 C#CCC#CC=O,0.2048 CC1C2C(N=CN12)C#N,0.2351 OC1CNCC(C1)C#N,0.2612 c1nc2n(n1)CC(=O)C2,0.2149 c1nc(c(=O)[nH]n1)CO,0.173 N#CCC1CC2CCN12,0.2506 CN(CC(O)CO)C=O,0.2728 CC1C(C)C1CNC=O,0.2811 OC1(COC1)C1CCO1,0.312 C1C=CC2C3C4OC3C124,0.2415 CCC1=CCOCC1=O,0.1804 CC12CC1N(CC#N)C2,0.2556 OCCC1=NC2CC2O1,0.2616 OCC(O)C1OC1C=O,0.2138 OC1C2CC(=O)CC1O2,0.2263 CCC(C)(C#C)C1CO1,0.3084 Cc1cc(n(n1)C=O)N,0.1921 OC1CC(O)C2OCC12,0.3091 OC1CC(O)C1C1CN1,0.3037 c1nc(on1)CC=O,0.2229 C1C2OCC3OC13C=C2,0.2278 CC1(CCCC1)OC=O,0.2772 OC1C2OC3C(O)C2C13,0.2975 O=CC1C(C=O)C1C#N,0.21 C1C2C3C1OCCCN23,0.3078 NC1(C#N)C(O)C1CO,0.2758 OCC1C2CCC12,0.3227 c1cn(cc1N)C2CC2,0.2206 CCC1=COC(=N)N1C,0.2177 O=C1COC2OCC=C12,0.1784 CNc1cc[nH]c1,0.2278 CCC(N)C1(CN1)C#N,0.2901 C1N=COC2C3OC2C13,0.2684 CC(CO)(CO)NC=O,0.2728 CC1C(CC#N)C1C#N,0.3143 OCC1CCC(=N)O1,0.2828 N#CC12OCC3C1CC23,0.278 CC1C2OC(=N)OC12C,0.2993 C1CC2C3CCOC23C1,0.3081 OC1C2OC2C1C1CN1,0.304 NC(=O)C1CCC(=O)C1,0.223 ON=C1CC2(CN2)C1,0.2446 CC1C(CO)COC1=O,0.2773 N=C1N=CNC(=O)C=N1,0.1734 O=C(C#C)C1=NCCN1,0.146 CCN=C(C#N)N(C)C,0.192 OC12CC3CCC(C1)C23,0.3171 C1CC23CC4OC2C4C13,0.3164 COCC1(C)CN1C,0.3 Cc1c(oc(=O)n1C)N,0.2348 O=C1CC2C3NC3C2C1,0.2279 Cc1c(n[nH]n1)CO,0.2511 OC1CC1(C=O)C=O,0.2123 Cc1noc2n1ccn2,0.212 Cn1ccc(c1C#C)N,0.1863 OC1(C=O)C2OC=NC12,0.1983 OC12CC3=CCC1(O)C23,0.1818 NC1=NOC(OC=N)=N1,0.2188 COC=NCC(=N)OC,0.2606 C1CC2(CC2)CC13CC3,0.3451 C1CC11CC=CC2OC12,0.2377 C1CC2COC=NC2C1,0.2688 CC1=CCCN1C(=O)N,0.2225 CC1CCC2OCC12C,0.3166 C1CC2=CC3NC3C12,0.2373 CC1C(C)C1OCCO,0.3074 [NH3+]C1(CC2CC12)C([O-])=O,0.268 CC(=O)N(C)C(=O)C#N,0.1898 C#CC12CC1OC=N2,0.251 N=C1C=COC=NC1=N,0.1927 C#CCN=C1CCO1,0.2681 O=CCCC1(CO1)C#N,0.2289 CCC(C)OCC=O,0.2284 CC(C(O)C#C)C1CC1,0.2915 COc1cc(c[nH]1)C=O,0.1729 CCCCC12CC(C1)C2,0.3732 CCCC(C)(CO)C#C,0.306 CC(=O)C12CN1C(=O)C2,0.2119 CC(C)(CO)C(C)(C)O,0.3243 CC1(CC1CC=O)C=O,0.218 CC1OCC11CC1C#N,0.279 CC1(C=O)C2CC2C1=O,0.1986 N=COC1OCC=C1,0.2585 CC12CC3CN1C23C,0.3193 COC1COC11CC1C,0.2937 CC1C2(C)NC2C11CN1,0.2939 CC1(C=O)C2CC1C=C2,0.2109 C1C2COCC1C1OC21,0.3342 COC1CC2(CO2)C=C1,0.2514 CCC#CC(C)(N)C#N,0.2784 COC1C(=N)NC11CC1,0.2526 CC1(CCCCC1)O,0.3235 OC(CC1(O)CC1)C#N,0.2725 CN(C)Cc1cnn[nH]1,0.2398 C1C=C(C(=O)C1=O)CO,0.1411 CC(OCCCO)C=O,0.2268 O=CC1CC(=O)C1C#N,0.2131 C1C2NC2C2=CN=CN12,0.2381 CC12CCC3=CCC1C23,0.2184 C[NH2+]CC(C)(O)C([O-])=O,0.2643 CC1(C=O)N=CN2CC12,0.2149 CC1(C(=CC(=O)N1)N)C,0.2206 COC1=NCCN1C=O,0.2288 O=C1C2C3C1NC23C#N,0.2178 CC1CC11CNC1C#N,0.2607 C1CC1CNC(=O)CO,0.2765 CC1OC(=N)C11CN1C,0.2603 O=CCC1C2CCC12,0.2249 O=C1CC2NC3COC123,0.1938 CC12OC3C1NC23C#C,0.2563 CC12OC=NC11CC2C1,0.2569 COC12COC1(C)C2C,0.2936 CCC1(CC1)OCCO,0.3305 CC#Cc1cc[nH]c1,0.2192 N#CC12CC3=CCN1C23,0.1672 CC1(N)COC1=O,0.2671 c1c2c(n[nH]1)OCCC2,0.2377 C1CC1C12OC1CC=C2,0.2454 CC1C(CCC1=O)C#C,0.219 C(C(=O)N)C(F)(F)F,0.2757 C#CCCC(CO)CO,0.3107 CC(C)n1ccc(n1)O,0.241 COC1C(C#C)C1C#C,0.2614 CC1(CO)C2NC2C1O,0.3083 CCC(C=O)C(O)CO,0.2244 CN1CC(C1)C(=O)C=O,0.1253 COc1ccoc1C=O,0.1811 O=C1NC(=O)C2CC1C2,0.2332 CC1(OC(=N)C=C1)C#N,0.2174 CC12C3C4C(N13)C24C#C,0.2332 CC1C2OC1(C)C1OC21,0.3093 O=CCC1CC2CC1O2,0.2276 CC1(CCC1)C(=O)N,0.2721 CN1CC1C(=O)NC=N,0.2072 Cc1ncc(c(n1)O)O,0.2061 c1nc(on1)CC#N,0.2629 O=C1OCC1C#CC#N,0.2271 CC(O)(C#N)C1(C)CC1,0.307 C1OC2C3OC1C23,0.2921 CCNC(=O)C(=O)C=O,0.1264 CC(C)C1CC2OC12,0.3276 ON=C1CC2OCC12,0.243 OCC1COCC11CN1,0.3053 CC1CNC(=O)C(=N)O1,0.2225 N=C1OC=NC(=O)C=C1,0.1856 NC1=CC=COC1=N,0.1604 CCCC(O)COCC,0.3283 C1C(=NO)CNCC1=O,0.1945 CC(=N)OC(C)(C)C#N,0.29 CN1C2C3C4OC4C2C13,0.2839 COC1C2COC12C,0.3078 NC1=[NH+]C(=N)N=C(O)[N-]1,0.2056 N=COC1C2CC1C=C2,0.2434 CN1C2C3CC(O3)C12C,0.2873 CC1C2OCC12C#N,0.2719 C#CCC#CCC1CC1,0.2875 CC1C2OC(C)C1C2C,0.3254 CC(C)C(=O)C1CCO1,0.214 O=CCC1NC1C#C,0.2199 [NH3+]CC1(CC(=O)[N-]1)C#N,0.2723 CC12CCC(CO1)C2O,0.3133 CC1NC1(CC#N)C#N,0.2847 COCC(CO)C(C)C,0.3255 CCC1=C(C)NC(=N)O1,0.2204 Cc1cc(c([nH]1)CO)N,0.2103 C#CC1=CCCC11CN1,0.1995 CC1CC1C1CC1C=O,0.2273 Cc1c(c(ccn1)O)F,0.2364 CC1(C)CC2CC2C1=O,0.2226 C1OC23COCC2CC13,0.3013 CCN1C2CC(C2)C1=O,0.2575 CN1CCC(=N)NC1=O,0.2503 CC12CC(=O)C(O1)C2O,0.2117 Cn1cc(c(=O)nc1)N,0.1858 C1CC1N2C=NCC2=O,0.2189 CC12OC3C(CC13)C2O,0.3002 CC1C2OC3C(O)C3C12,0.304 Cn1c(c(nn1)OC)N,0.2138 Cc1ncco1,0.2453 CN1C=CC(C=O)C1=O,0.192 C#CC#Cc1c[nH]nn1,0.1912 O=CC1(NC1C#C)C#N,0.2165 CC12CC(C)(C=O)C1N2,0.2156 C1CC2CCC3C1C23,0.3379 CC1CCOC11COC1,0.3135 C1C2C1C1C=CC3C2N13,0.214 CC(C)CC1CC=CC1,0.2648 CC12NC1C(C#C)C2=O,0.209 CC(C)CCCO,0.3422 OCC1NC1C1COC1,0.3133 CC1=CCC2COC12,0.2551 N=C1NC(=O)C(O1)C#C,0.2519 CC1(CCCC(=O)N1)C,0.2695 Cc1cc(c([nH]1)C=O)O,0.1698 C1CC23OC4CC12NC34,0.2898 CC1OC11C2OC1C2O,0.3078 OC1CC(=O)C2CC12,0.227 COC1CC(=O)C1C#C,0.2144 CCC1OC1(CC)C#C,0.2853 CC1COC2(CC12)C#N,0.2696 CC1C2CCC2=CC1=O,0.1928 COC12CC3C(C13)C2O,0.2866 CC1(O)C2C3CC1N23,0.31 c1cn[nH]c(=O)c(=O)n1,0.1639 CC1(C)CC(=O)N2CC12,0.24 OC12CCC11CC(C2)O1,0.3081 CC1OC1C#CC(C)=O,0.2044 N#CC1C2NCCNC12,0.2545 OC(CC#N)C#CC=O,0.2026 C1CC2(C1)C3(O2)COC3,0.3166 CC#CC(=O)C1CCO1,0.1937 CC12NC1CC1OC21,0.3072 OC1CC1(C#C)N1CC1,0.2739 CC(=O)C1CC11CCC1,0.2309 C1C2CC11C3NC3CN21,0.2797 O=CC12C3CC4C1N4C23,0.2148 CC1C(O)C2NC2C1=O,0.2141 CC(C)C1C2CCOC12,0.3147 CC1CNC(=O)CO1,0.264 C1CC(=O)OCOC1=O,0.2626 OC1CCC11CC(=O)N1,0.2855 c1cc-2cnonc2c1,0.1396 N#CC1C2C3OCC1C23,0.2673 CC(=O)C1=CN2CC2C1,0.1839 Cc1cc[nH]c(=O)c1C,0.175 CC12CC(C1O)C2C=O,0.217 NC1=NOC(=C1)C1CN1,0.2223 CC12CCNC1C(=O)O2,0.2461 C1C2CC3CCC3OC12,0.2873 CCC(C)CC(=O)CO,0.2402 CC1C=C(C)C(=O)N1C,0.2161 Cc1cc(on1)C#C,0.2054 CC1C2C3COC1CN23,0.3023 CNC1(C)CC1(N)C#N,0.2559 OC1CC2(CC2)C11CN1,0.309 CCCC1(CC1O)C#C,0.2895 OCC(CCC=O)C#N,0.2272 CC1OC2C=CC1C=C2,0.2205 O=CC12CC(C1)(O2)C#C,0.209 OC(C1CC1)C(=O)C=O,0.1564 CC1OC2CCC2C1=O,0.2136 OCC1(CC(O)C1)C=O,0.2219 CC12C3OC(OC13)C2=O,0.1996 CC1OC2(C)C(O)C12C,0.3031 Cc1c(nc([nH]1)C#C)O,0.1781 O=C1NC2C3CC=C1C23,0.1863 OC1COC2CC2(O)C1,0.2875 C#CC1(CC2CN12)C#N,0.2479 CC1NC(C2CO2)C1=O,0.2179 CCC(C)C1CCCC1,0.3762 OC1C2COCOCC12,0.3108 CCc1cnoc1C=O,0.1895 OC1CC2C3CC12OC3,0.2887 CC1=CC2OC3C2C13O,0.2205 O=C1C2OC2C1CC#N,0.2137 c1c2c(c(o1)N)OCC2,0.22 c1c(c2c([nH]1)cn[nH]2)N,0.1991 CC1(C)CC(O)C1(C)C,0.3158 c1c(oc(=O)o1)OC=O,0.226 CCOC(=O)C(C)(C)O,0.2644 CC1C2C3COC1C23O,0.2972 CC1OCC1C(O)CO,0.3013 c1c(=O)nnn(n1)C=O,0.147 C(CO)N=COCCO,0.2568 O=C1C2C3CN4C(C23)C14,0.2116 CC1OC2OCC1C=C2,0.2429 CCC(O)C(CO)OC,0.3201 COCC1C2COC12C,0.3134 N=C1CNC(=O)OCO1,0.263 CN=CNC(=N)C(=O)N,0.1924 CCC1C2CN2C1CO,0.3059 CC(=O)C1COC(=N)O1,0.2177 CC12CC(C)(COC1)O2,0.3205 CC1CC2CC2(O)C1,0.3126 CC12CC3=NCC1(C)N23,0.1945 N=C1OC2(CC#N)CC12,0.281 C1C2C3CC=CCC1C23,0.2658 CC1C2C(C3CN23)C1=O,0.1993 CCC1CN1C(=O)C#N,0.2169 CC(O)C1OC2C(C)C12,0.3016 CC1(CO)COC=N1,0.2631 OCC1CC(O)C(=O)O1,0.2729 C1CN1c2c(n[nH]n2)N,0.2117 OCCOCC(O)CO,0.3247 OCC1OC(=N)C2NC12,0.2584 CC(CCO)C1OC1C,0.3337 CN1C2C3COC2(C)C13,0.301 CC1CN2CCOC2=N1,0.2724 Cc1ccc(c(c1)F)F,0.2256 CC1(CN(C1)C=O)C,0.2673 CC1C2C(=O)NC12CO,0.2521 O=CC1=CNC2CC1C2,0.1794 CC1(C)CC(CC#N)O1,0.2915 C[NH2+]CCC(C)C([O-])=O,0.2743 CC(O)C#CC1CC1O,0.2702 FC1=CC=COC1=N,0.169 CC1=CC2C3OC2C13C,0.2233 CC1=C(O)NC(=N)O1,0.2279 CN1CCC2OC(=O)C12,0.2346 CN=C1NN=C(F)C=C1,0.1497 Cc1c(cn[nH]1)CCO,0.2516 CCCC12C3C4C3C1C24,0.3026 Cc1c(ncoc1=O)F,0.1932 CN=C1CC(N)C(=O)O1,0.2424 CC#CCCNCC#N,0.2695 COCC(C=O)C(N)=O,0.2125 O=C1C2NC1C1NC21,0.2366 N#CC1CC2COC12,0.2859 CC1=NC=C(N1)OC=N,0.2187 CC1NC11CC2OCC12,0.3088 COC1C2CN=COC12,0.278 CC(O)C1=CN=NN1,0.2537 CC[NH2+]C(C#C)C([O-])=O,0.2661 CC1C2C=CC1(C)C2=O,0.244 CN1C2CC1(CO)C2=O,0.2475 OC1C2CC(C12)N1CC1,0.3051 C1CC23CC(OCO2)C13,0.3031 CC(NC(=N)CO)C#N,0.2625 CCn1c(cc(n1)N)N,0.2356 CN(CCO)C1COC1,0.2922 CC12NC1C1(CO)NC21,0.265 CCC1OC1CCOC,0.3457 COC1COCC1(C)O,0.311 CC1CC1C(C#N)C#N,0.303 CC1CN(C=N1)C(C)=O,0.2219 COC1C2C3C1CN23,0.3137 CCC1(C)COC1C#C,0.2701 N#CC12CC(C1)C1OC21,0.2947 COCC1(C)NC1C#N,0.2801 CC1(C)CC2C(O)C12,0.3199 CC1(CCC1)OC=NC,0.2706 CC(C)CC1COC1=O,0.2803 C1CC1(CCO)O,0.3023 CCc1c(oc(n1)N)C,0.23 CN(C)C1C2NC2C1=O,0.1759 COC1C2NC2C1C#C,0.2754 CCC12C3CC3N1C2C,0.2791 CCCC(=O)C1CC1,0.2341 OC12C3CC1N3CC2=O,0.2049 Cn1ccnc1N(=O)=O,0.1755 CC1N2CCC12CCO,0.302 COc1nccc(n1)F,0.2208 C1C2N1CC21CCOC1,0.3022 c1c(c[nH]c(=O)c1F)N,0.1592 CC1NC11CN(C)C1,0.2883 c1c(nn[nH]1)C=O,0.2037 C1C(COCO1)CCO,0.3311 OCC1OCC=C1,0.2445 N=COC12CC3C1NC23,0.2621 CC1CC11OCC1CO,0.2899 CCC1CC(=O)C(=N)O1,0.1894 CC(O)C1=C(O)NN=C1,0.2497 CC12C3C1C1(C#C)C2N31,0.2307 C#CC1CC11COC1,0.2827 CCCCN=COC,0.2697 CC(C)C1C2NC(=O)C12,0.2525 CCC1CC=CCC1=O,0.2236 CC1OCC2CC=CC12,0.2632 CC1OC1(C)C,0.3468 CC12C3C4C(CN14)C23O,0.2798 CC1=NOC(=N)NC1=N,0.1933 CC1CN=C(N1)C1CO1,0.2334 C1C=CCOCC=C1,0.229 CC(C)(C#N)OC=NC,0.2738 CC1C2C(C)C(O)CN12,0.2736 CC12CCC(O)(CC1)C2,0.3235 C1C2NC1C1=C2NN=N1,0.2182 CC1C2CC(O2)C1C#N,0.2966 C(C1CN1)C1=NC=CO1,0.2439 COC1CCC2OC12,0.3291 CC1CC2CCC12O,0.3183 CC(C)CC1OCC1O,0.306 CC1C(O)C11C2CN1C2,0.2908 CC1OC=NCC1(C)O,0.2653 O=C1CC2C3OCC3N12,0.2375 CC12CC3(C#N)C(O1)C23,0.2688 CC(C)(C#N)N=COC,0.2666 N=C1OC2CCCC1O2,0.2859 O=C1CC2(CN12)C#C,0.2309 CC12CC(O1)C2C#N,0.2776 COCCC(C)(O)C#C,0.2875 C#CCCC12CC(C1)C2,0.3162 CC1C2OC1C2C#C,0.2773 OC1CC23OC4C2C1C34,0.2957 CCOC(C#C)C(C)O,0.2959 O=C1C2CNC(=O)C1O2,0.2091 CC1(NC1CO)C1CO1,0.3261 CCC12CC3(O)C1NC23,0.2941 Cc1cc(ccc1N)N,0.1844 COc1nc(=O)[nH]nn1,0.1739 NC1C2OC(=O)C12N,0.2338 CC12CC(C1O2)C(N)=O,0.2676 C1C(=O)C(=O)CC12CN2,0.1448 CN1C2C3C4CC4C2C13,0.3044 CC1=CC2CC1C2O,0.2422 Cn1cnn(c1=O)C=O,0.21 NC1C2NC(=NC12)C#C,0.1918 CC12NC1C1(CO1)C2=O,0.201 FC1=C(F)C(=N)C=CN1,0.188 Cc1nc(cc(n1)F)N,0.2259 OC1CC2C3C4C1C2N34,0.306 CC1=CC(C)(NC1)C#N,0.2365 CCC(=O)CC#N,0.2373 c1c(ncnc1O)C=O,0.1789 C1NC11C2C3COC2C13,0.3215 CC1C(O)C1(O)CCO,0.2874 OCC1OC2CCCC12,0.3166 OCC1N2CC2C1=NO,0.2329 CNC(C)C1=NOC=N1,0.199 CCC(OC1CC1)C=O,0.2135 C#CC1(CC1)C(=O)C#N,0.1801 CCc1c(=O)cnon1,0.1672 OC(C=O)C1C2CCC12,0.2212 C1Oc2c([nH]nc2O1)N,0.2272 CN1C2COC(C2)C1=O,0.2518 CC(O)C1(C)CCCO1,0.3218 OC12COCC1OC2=N,0.2718 CNC1=[NH+]C(=N)C=N[N-]1,0.1765 C#Cc1cc(c(o1)N)O,0.1721 CC1=CC(O)CNC1=O,0.2106 CC1(CO)C2OC2C1=O,0.2108 CNc1ncnc(n1)N,0.2207 CC1(O)CCOC(=N)C1,0.2777 CC(=O)Cc1ccno1,0.2107 COC1CC2COC12C,0.2908 CC1C=CCCC2OC12,0.2644 c1cc(n(c1)C=O)N,0.1763 CC1COCC(O)C1=O,0.23 O=CC1C2CN1C21CC1,0.2084 OCC1CC2CC2C1,0.3366 O=C1NC2C3CC(N1)C23,0.2907 OC1CC23CC4C2C1N34,0.2959 CC(=O)OC=NC,0.2435 CNC(=N)NC(=O)C#C,0.1688 CC(C)C1N(C)CC1=O,0.2066 CCCC1CC1,0.3661 CC(C)(C#CCO)O,0.2893 CN(C)c1ccoc1O,0.2301 C1C2C3C4CCCC13C24,0.355 CC12C3C4C1OC4C23C,0.3245 OC(C#N)C#CC=O,0.2016 COCC12CCC1C2C,0.3264 OCC1=COC(=N)N1,0.2211 CC(CO)CC1CCC1,0.3395 CC(=O)NC(=NC)C=O,0.1817 C1C2C3CC3C3(CO3)C12,0.3085 O=C1C=CCNC1C#C,0.1765 OCCC12CC3C(O1)C23,0.305 O=C1CN2C3CCC2C13,0.2088 CC1C2OC1C1CC2C1,0.3126 CC(C)n1c(=O)[nH]cn1,0.2343 CC12C3C4C(N14)C23C#N,0.2389 CC(O)C12CC1CC2C,0.315 [NH3+]C1(CCC1)C([O-])=O,0.2692 CC1N2CC2C1(C)O,0.2912 CN=COC(CO)C=O,0.2107 CC1=C2COCC2CC1,0.2463 CC12CCC3NC3C1O2,0.3073 C1CC1CCC#CCO,0.2772 c1c(cnc(n1)O)C#N,0.207 CN1CC=CNC1=O,0.223 C1C2NC3CN=COC123,0.2344 CN(C=NCC#C)C=O,0.2355 CCC1=CNCC1=NO,0.1772 Cc1c(non1)CO,0.2505 CCC1=CCC2OC2C1,0.2615 CC1OCC2COC1C2,0.3139 CCCC1COCCO1,0.3243 O=C1OCCC11CN1,0.264 CC(C)(CC1CC1)O,0.3228 CC12CCCC(=O)C1N2,0.2209 CCC1C2CC(C#N)N12,0.2589 CC12OC3C1C1(CN1)C23,0.3051 CC(CC=O)NC=O,0.2288 CC(C)CC1CC(=O)O1,0.2858 OCC1OC(=O)C11CN1,0.2555 CCc1nc(on1)N,0.251 Cc1c(ocn1)CC#C,0.239 CC1C2OC1C2(O)CO,0.2915 CCC(C)C(CO)C#N,0.3093 c1(=O)c(=O)onc(o1)N,0.1777 C#Cc1c(c[nH]n1)N,0.1987 CC12C(O)C1C1C(O)C21,0.2701 Cc1cn[nH]c1C2CC2,0.2367 N#CCC12CC3CC1C23,0.2973 CC(=O)C#CC(O)C=O,0.1971 c1c2c(ncn1)CCC2,0.2102 CC1(CN2CC12)NC=O,0.2599 CC(=O)C1CC(C1)=NO,0.2249 CC12C(O)C3(O)C1CC23,0.3097 OC1C2CCCC2C1=O,0.2182 COC12CC(C1)C21CO1,0.3457 OC1(CC1C#N)C=O,0.2146 CCC1CN=C(CO)O1,0.2752 CC1(CN1)C1=NOC=C1,0.2451 OC1CCCC2OC2C1,0.3306 N=C1CC2C(O1)C2C#N,0.2703 OC1CN2CC2C=C1,0.2277 CC1CC11OC(=O)C1N,0.248 C1C2CC3N=COCC123,0.27 COC=NC(C)CC=O,0.2211 C1CC1C1C2CCOC12,0.3137 CC12CC(O)CCC1N2,0.3017 OC1C23CC=CC12CO3,0.2163 CC12NC3C1OC23C#C,0.243 O=C1C=CC2OC12C#N,0.1748 CN1C(CO)C1(C)C,0.2882 CC1(C#N)C(N)C1C#C,0.2481 O=CC1CCC2CN1C2,0.1989 C(Cn1nnnn1)CO,0.2446 CC1OC2(CO)CC12,0.3016 CCC(C)COC(C)=O,0.2848 CN1C2C3CC3C12CO,0.2709 FC1=CC(=N)NN=C1F,0.1591 OCC#CC1CC(=O)N1,0.2657 O=C1C2C3NC1C23C#C,0.2186 CC12OC3C1C2C3C#C,0.2783 CCC12CC(O1)C21CO1,0.3258 OCC1CC(C=O)C1O,0.2151 CC1OC(C#C)C(=N)O1,0.2754 CC1C2CC3CC1C23O,0.3053 C1C(=O)COC(=N1)C#N,0.202 CCC1OCC(C)=C1,0.2489 CC1OC2(C)C1CC2=O,0.202 CCC12NC1CN1CC21,0.2915 NC1(CC1C#N)C#C,0.2716 CCCC(C)CCC,0.3796 C1C2N1C1(CC1)C21CC1,0.3074 O=C1OC2C1NCC2=O,0.1935 OCC1=CCC(C1)C=O,0.2198 OC12CC1OC(=N)C=C2,0.1967 O=CC12NC1C1NC21,0.1897 C1C2CC11CCOCC21,0.3344 CC(C=O)C1=CCCC1,0.2049 CC1CNC(=O)C1C#C,0.2581 O=C1CC2CN2C(=O)N1,0.2389 N=CN1CC1(C#C)C#N,0.2388 OCC1OCOCC1O,0.3291 CC1=C(F)OC=NC1=N,0.2001 COCCC(C)NC=O,0.279 CC1C2CC2(C=O)C1O,0.2203 OC1C2C3CC1(C#C)C23,0.2751 OCCC1OC2CC12,0.315 CC1CC1OC(=O)C#N,0.2232 CC1(C)C(CO)OC1=N,0.2885 CC1C2C3CCC3C12O,0.3041 CC1CC(O)C1OC=O,0.2691 C1C2C3C2C2C4C1C4C32,0.3069 CCCCC(C)C1CC1,0.3606 N#CCC1CO1,0.3149 CC12OCC1C1OC21,0.3002 CC1C2C3CN3CC12O,0.2905 COC(C)(C=O)C1CO1,0.2087 NC(=O)C1C2CC1(O)C2,0.2715 CCn1ccc(n1)C=O,0.2001 Cc1c(c(on1)C#N)N,0.1849 CC1(N)C(=O)OC11CC1,0.2511 CCCC1=NCC(=N)N1,0.2307 C1COC(O1)CC(=O)N,0.2734 C1C2CC1N=CO2,0.2649 C1OC2OCC1C=C2,0.2443 [O-]C(=O)CC1CCC[NH2+]1,0.2762 CN=C1CNC(=O)N1C,0.2411 C#CC1C2OCC3C2N13,0.2591 c1c(oc(=O)c(n1)O)F,0.1664 CCC(=O)NC1COC1,0.2746 N#CC1OC2CC2O1,0.273 COC12C3C4N3C1C24C,0.2731 CC1C2C(O)C1C2=O,0.241 CCOC1(C)OCC=C1,0.2625 CCN=CN(C)C(=O)C,0.2282 CC1CC(NC=O)C1=O,0.2191 c1c(n[nH]c1NC=O)N,0.1946 CCOC1(C)C2COC12,0.2981 ON=C1C=CCC2NC12,0.1911 CC1(CCCOCC1)C,0.3152 O=C1CN2C3CC(C3)C12,0.203 OC12C3C1C1N=C2OC31,0.1775 C1C2OCCCC=CC12,0.2367 OCC1COC(=N)C1=O,0.1866 CC12CC(O)(C1)C21CO1,0.3257 CC1OC(=O)NCC1O,0.2958 OCC1CCC=CC1O,0.2579 OC(C=O)C1CC(=N)O1,0.221 CC#CCC12CC1CC2,0.2961 COC(C)C1(C)CC1O,0.2934 CC(O)C(C)(C)C1CC1,0.3319 CN1CCOC2C(O)C12,0.2814 c1cncncc1=O,0.1579 CC#CC1CC2CC12,0.2942 OC1COC2CC12,0.3056 CC1CC1(N)C#N,0.281 CCCC1(C)CN2CC12,0.3082 c1nc([nH]n1)NC=N,0.218 C#CC(=O)c1ccn[nH]1,0.1815 C1CC(=O)NC(=O)C1,0.2349 CC(C)C(C)(C=O)C#N,0.2215 OC1CN2CC1(C2)C=O,0.2024 CC1(CC(=O)C=O)CN1,0.1607 C#CCOc1c[nH]nc1,0.2327 CC(=NO)C1COC1,0.2507 CC1OC1C12CN(C1)C2,0.3106 OC12CCC3C(C=C1)C23,0.2416 CC1(O)C2C3OC3C12,0.2815 O=C1OCC2OC1C=C2,0.2196 c1cc(=O)[nH]c(c1O)N,0.166 O=C1OC2(CC1C2)C#C,0.2756 OCC1=CC=NNC1=N,0.1634 CC(C)C1=CC(=O)CC1,0.1939 O=CCC1CC1CC#N,0.2263 CC(O)C12OC1C1OC21,0.2931 c1c(nnn1CCO)O,0.2244 CC1OCC2NC12C#N,0.2709 CC(C)(C#C)C1CCO1,0.2979 C1CC1C(=O)CCC#N,0.2351 CCC12CN1CC2OC,0.2991 CC(=O)C1CC2OC2C1,0.2353 C1CC1C2=CCC(=O)C2,0.2162 CN1CC(O)C1C1CO1,0.2928 OC1C2CC2CC1C#N,0.301 CC(O)C1(N)COC1=N,0.266 OCC1(CO)CC1C#N,0.2853 CC12CCC(O1)C2C#N,0.2937 CC12OC3(C=O)C1OC23,0.2009 CCC1(O)CC(C)(O)C1,0.3149 O=C1CC2CC3C2C13,0.2228 O=COC12CC(C1)OC2,0.2583 CC(=O)OC1CCC1O,0.2702 CC1CC2CC(C#C)C12,0.2952 COC12CC1(C)CC=C2,0.2452 N=COCC1CN1,0.2756 CNC(=O)C1CNC1=O,0.2602 CC12CC1(O)C(O2)C#N,0.2506 N#CCC1C2CN1C2,0.2761 OC12CC(C1)CC1OC21,0.3294 CC(C#N)C(O)C1CO1,0.3201 CCN=COC(=O)C=O,0.1674 CC1C=CC2=CCCC12,0.1933 CC1CCOC1OC=O,0.278 CN(CC1CN1)C(N)=O,0.29 Cc1ncc(n1C)OC,0.237 CN1CC2(C)C(C=O)C12,0.1988 O=CC1NC11CC2NC12,0.2181 c1coc(c(c1=O)F)N,0.1931 CC(O)(CN)C#N,0.2957 NC(=[NH2+])OC1=NC=N[N-]1,0.2542 O=C1CC2C3CC12C=C3,0.2082 CC(=O)C(C(=O)C)OC,0.2104 CCC1NC1C(=O)C#N,0.189 OC1(CC1)C1CN2CC12,0.2854 CC1OC(=O)OCC1=O,0.2153 CC1=CCC(O)C2OC12,0.2382 CNc1c(n[nH]n1)C=O,0.1719 OC1C2CCOC=NC12,0.2467 NC1(C#N)C2C3CC1N23,0.2751 O=CC1CC2CC1CO2,0.2168 C1CC1OC=NCC=O,0.2207 CN1CC2(O)C1C2(C)O,0.2548 CC(=O)CCNCC#N,0.2285 CCC(C)(C=O)C1CO1,0.2236 CC1CC1C(O)CO,0.3164 NC1=CC(=N)N=NN1,0.1622 CC(C1CCO1)C(N)=O,0.2634 c1cc(n(c1)CC=O)O,0.1594 O=CC1(CN1)C#CC#C,0.1957 CCC1(C)OCC11CO1,0.3252 CN(C=N)C(=O)CC#N,0.2352 CCCC1(CO)CN1,0.3117 N=C1NC(=CCO1)C#C,0.1837 Cc1c(oc(=O)[nH]1)CO,0.2289 CC1CCC(O)CC1,0.3179 CC1=CC(=NC)OC1=O,0.1896 CC1C[NH2+]C1CC([O-])=O,0.275 COC1CCC2(CO2)C1,0.3213 CC1N=C2NCC2C1=O,0.2071 O=CN(CC1CN1)C=O,0.2149 COCC(=O)C(C)OC,0.2293 OCC(=O)C1(CO1)C=O,0.2081 COC(=O)C(C)N,0.2491 CC1=CC2C3C=CC2C13,0.194 CC#CC1CC1CCO,0.2824 CN1C2CC1(C#N)C2N,0.2356 CCC#CC(N)CC#N,0.2713 CC(=O)CN1CCC1=O,0.2152 C1C2COC3C=CCC123,0.2601 C1C2CCN=COCC12,0.2648 Cn1cc2c(n1)OCO2,0.2188 Cn1ncc(n1)C2CC2,0.2377 CC(=O)Oc1cnco1,0.231 C#CC1C2NC2C11CO1,0.2808 C1C2CC3CCCC13O2,0.3175 COC1CC=C(C1)C=O,0.1943 C1COCC(=O)N1,0.2644 N=C1OC2CC3C1N3C2,0.2545 CCC12CC1(C)CC2,0.3217 N=COCCC1CCO1,0.2797 CCCC(C)CCC#C,0.3158 c1c2n(c(n1)C#N)CC2,0.2088 O=C1C2CN2C1CC#C,0.2172 C1C(=O)N(C=N1)C=O,0.2213 CC1(O)C2COCC12,0.3206 CCC12CCC1(C)OC2,0.3059 OCC1OC(CO)C=C1,0.2413 c1cn(nn1)CC#N,0.2539 CC#CCC(=O)C=O,0.1481 CCN1C2CCOCC12,0.3016 CCC1CC1(C)C,0.3443 OCC1OC=NCC1=O,0.2022 CC(C)(C)c1c[nH]cn1,0.2528 CC1C2C3(C)NC3C12C,0.2772 CC12CC1OCC2(C)C,0.2983 NC(CC#C)C(O)C#N,0.2901 O=C1OC2CC3C2N13,0.2837 OC(CC(F)(F)F)C#N,0.3176 NC1=CNC=C(O)C1=N,0.1676 CC12CN3CC3CC1N2,0.2987 C(C=O)C(=O)NCC=O,0.2159 O=C1OC2CNC12C#C,0.2323 CC1=C2C3OC3C2OC1,0.2256 CC1C(N)C1(CO)C#N,0.2645 CC(CO)OC(C)CO,0.3167 CCC1CC2OC12C#C,0.2625 COC1(C)C(O)C1(C)O,0.2961 CCc1c(ocn1)NC,0.2148 CC(O)CC12CN(C1)C2,0.2846 CC1CN=C(CC#N)O1,0.2619 CCC1(CN1)C(=O)CO,0.2268 Cc1ncc(cn1)N,0.19 NC(CO)C1=NC=CO1,0.2409 N=C1OCOCC2OC12,0.2603 NC1(CC(C1)C#C)C#N,0.2779 COC1CC2CCC2=C1,0.2486 CN=C1C=C(CO1)C#C,0.1759 O=C1COCC2NC2C1,0.2108 OCCC1C2OCOC12,0.3271 CC1=CC(=NO)C(=O)N1,0.1466 c1cc(c(cc1N)F)F,0.2005 C1OC2OCC=CC2=C1,0.1997 CC12NC3C(NC13)C2O,0.2856 OC1C2COC1C2C=O,0.2129 CC1(NC1C=O)C1CO1,0.2192 CC1=C(C)C(O)CC1O,0.254 NC(=O)C1CC(=N)O1,0.2665 CC1CCCC(=C1)C#C,0.2112 CC1(C)CCC2OC12,0.338 CN=C1CCC=CCO1,0.2394 NC(=[NH2+])[C-](C#N)C#N,0.201 CCC1(O)CCOC1=N,0.2862 CC1(C)CC2C(O)C2O1,0.3014 CC1OCCO1,0.3439 CNc1cc(co1)C#N,0.1863 O=C1CC23CC2(CN3)O1,0.2247 c1c[nH]c(=O)c(c1F)F,0.1841 CCN1C(CC1=O)C#C,0.2717 C1NC1C1=CC2NC2C1,0.2318 COC1CC(C)N2CC12,0.3109 Cc1cc(oc1C=O)N,0.169 O=CC1=CCC2OC12,0.1891 C1C2OCC3COC12C3,0.3068 c1[nH]c(c(n1)N)CO,0.2136 CCC(C=O)N(C)C=O,0.2054 C1CC11OC2CC1CO2,0.3192 CNC(C#N)C(=O)C#C,0.1673 Cn1ccc(c1)N2CC2,0.2276 OCC12CC1C1CC21O,0.2641 NC(=[NH2+])NCCC([O-])=O,0.2577 CC12NC1C1OC1C2O,0.2986 Cc1cccn1C(=O)N,0.2026 N=C1NC(=O)CNC=C1,0.1855 CC(=O)C(=O)C#CC#N,0.1411 CN1CC(=O)C2(CO2)C1,0.1777 N=C1N=CC(=O)NN=N1,0.1689 C1C2C1C1OC2C2CC12,0.3417 CC1C2C3OC3C2C1=O,0.2143 CC1OCC1(C)C,0.3176 CC1(CN1)C1(O)CC1O,0.2965 CN1CC2NC(=O)C=C12,0.2064 COC(=O)C(=O)N,0.2059 CN(C(=N)N)C(=O)OC,0.2463 CC12CC(=O)C1(O2)C#N,0.2147 CCC1(O)CC(C)C=C1,0.2588 OC1CCC1OC1CC1,0.3147 CN(C)c1cnn[nH]1,0.2247 C1CC23C4CC2(C4)OC13,0.2968 N#CCC12CC1C1NC21,0.2525 C1CN1C12C3C4C3C1C24,0.3004 CC12COC1C2(O)CO,0.2943 CCC12CN1C(C2)C=O,0.2158 COC(=O)COCC#C,0.2754 CC1(CCCC1)OC,0.3244 NC1=CC=C(N1)C1CN1,0.2263 CC1CC(C=O)C1(C)C,0.2182 C#CC1(OC1C#N)C#N,0.2468 C1CCC(C1)C(=O)CO,0.239 O=C1CC2CCC1CC2,0.2216 OC1CC(=N)OC(=O)C1,0.2521 [O-]C1=CC(NC=[NH2+])=CO1,0.0709 CN(C=N)c1cc[nH]n1,0.21 CC1C2CC1C(=O)CN2,0.2072 CC1C2NC2C1C(N)=O,0.2633 CC1(OC2CC1C2)C#N,0.287 N1=CC2=C(N3CC2C3)N1,0.2395 CC1CN2N=NC(C)=C12,0.2501 N#CC12OC1CC21CC1,0.2699 C1OC23C4C5C2CC13N45,0.2473 CC1OC1C1=NOC=C1,0.2441 O=C1CCC11C2CCC12,0.2087 OC12C3C1C1C3C2C1=O,0.2146 CC1CN(C=O)C1CO,0.2656 CC1CC2(O)C3CC2C13,0.3294 CC12NC1C1C(C=O)C21,0.227 CC(=O)C(=O)NC(=O)N,0.1693 OC1CCOCC1=O,0.2122 Cc1cnoc1C(C)C,0.2391 CC1C2CC2C1C,0.3364 C#CCn1c(=O)onn1,0.2314 c1coc2c1ocn2,0.2014 CC(C)(CCCO)C#N,0.317 CC1CC1C1=NOC=C1,0.2464 CN=C1NCC1(N)C#N,0.2399 C1OC2C3NC22C1OC32,0.1985 COC12CN3C1C2C3=O,0.2389 CC12C3NC3C3C1OC23,0.3096 OC1CCC2(O)COC12,0.2976 CC12CC(NC=O)C1N2,0.275 [NH3+]CCC1(CN1)C([O-])=O,0.2642 N=C1N=COC=C1C#N,0.1903 Cc1cnnnn1,0.1686 C#Cc1c(nno1)C=O,0.177 COCc1c[nH]nc1,0.2603 CCCC(CC)CCC,0.384 CC(C1CN1)C(=O)C#C,0.1823 CC1C(C)C2=CN=NN12,0.2602 CC1C=C(CC1=O)C#N,0.2066 c1c([nH]c(=O)[nH]1)CC=O,0.1646 NC(=O)C1=CC2OC2C1,0.2074 C1C2CC34CC(O3)C4C12,0.3118 CC#CC(=O)CCO,0.2092 NC1=NC2CC2O1,0.2715 OC12CC1CCCCC2,0.3245 CC1=NNC(F)=CC1=N,0.1842 O=CC1COC(C1)C#C,0.2279 N=C1NC(CC#C)=NO1,0.2311 c1(c([nH]nc1O)N)N,0.2442 c1c2c(on1)CNC2,0.223 CCC(=O)NCC#C,0.2718 C1C=C2C3C4C3C2C14,0.1625 CC1=CC2CC11OCC21,0.232 CNC(=O)CC(C)OC,0.2754 CCCC1CC(=N)O1,0.2899 CCC(C)(O)CO,0.3155 c1cc(ncc1O)O,0.188 COCC1CC(C1)=NO,0.2488 CCC12NC1(C)CC2=O,0.2203 COCCc1cocn1,0.2459 CCc1c(c[nH]n1)N,0.2259 CCC1OC11COC1=N,0.2719 CCC1(CO1)C(C)C=O,0.2197 C1OCC11C2C3C1CN23,0.316 CC1(C)C2C3C1CN23,0.3159 CC1(C)C2N1CC2=NO,0.2278 c1c(oc(n1)N)C(=O)N,0.1972 CC12NC(=O)C1(N)C2O,0.2376 OC1C2NCC(=N)OC12,0.2508 CC1CC11C(O)C2CN12,0.2963 CC12CC1C(=N)O2,0.2797 O=C1C2CC2OC11CC1,0.2122 CCC(C#N)C(=O)OC,0.2804 CCN(C)C(=O)C1CO1,0.2504 OC(C=O)C1CC(O)C1,0.2187 CC1C2CC2C11CCO1,0.3094 NC(=[NH2+])C1=CNC=C1[O-],0.1848 CC1OCC11CC(=O)N1,0.2811 CC12CC3OCCN1C23,0.3055 CC1CC(C2CO2)C1C,0.3403 CC1=CC2OC3CC2C13,0.2461 OCC12CC=CCC1O2,0.2696 CC12COC3C1N2C3=O,0.2261 COC1C(C)C1(O)CO,0.3021 OC1CC1(O)CCC=O,0.227 CC12CCC(O1)C2=O,0.2333 CC(O)C1COC1(C)C,0.3056 COC12CC1C(C)C2,0.3324 CC1NC1CN1CC1,0.3082 N=COCC1(CN1)C=O,0.2235 OC(C=O)C1CN2CC12,0.1981 OC1CC2=CON=C2C1,0.2399 CCCOC1CCCC1,0.3263 CC12OCC1C2(O)CO,0.2959 c1c(non1)NC=N,0.2072 CC1COC11C2CCC12,0.2909 OCC1CC1N1CC1,0.3148 O=CC12CC(C1)(N2)C#N,0.2149 CC1C2C1C1OC2C1O,0.3334 CC12CC1C(C2)C#N,0.3028 CC1NC1COCC=O,0.2251 CC#CC1CCN=CO1,0.2694 CC12CN1C(C2)C=O,0.216 CC12CC1C(=O)CNC2,0.2014 C#CC1NC2COC12,0.2661 c1c(nn[nH]1)C2CCC2,0.2465 O=CC#CC1NC1C=O,0.1895 CN1C(=O)CC12COC2,0.2778 CC1NC11COC1C=O,0.2062 N=COC(C=O)C#C,0.207 CCOC1COCC1O,0.312 OC1=NC(=N)N=CN1,0.2006 COc1c(nc(o1)N)N,0.2151 CCOC12CC1N(C)C2,0.2958 CC(O)C1(CCO)CO1,0.3361 CC(=O)Nc1cnon1,0.2198 CC12CC3C(C=C1)N23,0.2177 CC1OC2(CC12O)C#C,0.2405 CC1(C)OC(=N)NC1=N,0.2539 N#CC12NCC1CC=C2,0.2323 O=COC1CNCC1=O,0.1921 CCC1CCC(=O)C=C1,0.1876 COCC(=O)OC1CC1,0.2772 CC1C(CO)N1C=O,0.2553 CC1(CO)C2C3CN2C13,0.2973 COC(=N)NC(=N)CN,0.2448 CC1(CC#C)C2CC1C2,0.3138 CC1(C)C(CO)C1(C)O,0.3052 NC(=O)C12CC1COC2,0.2714 CCC1(O)C2C3CC3C12,0.2754 CN=CN(C)C(=O)OC,0.2431 c1[nH]c(c(n1)C=O)N,0.1932 CC1C(=O)C2CN2C1=O,0.2064 CCC1OC2(CC12)C#N,0.256 OCC(O)C(F)(F)F,0.3313 CC1CCCC=C1C=O,0.1963 CC12C3OC(C13)C2C=O,0.2061 CC1(O)CC1C(F)(F)F,0.3374 CC(C)C1(CN1C)C=O,0.214 CC(=O)C12C3CC1CN23,0.2182 OC1C2NC1C2C#C,0.2884 CC1(O)CCCN2CC12,0.2807 COC1C2CC2OC1=O,0.2441 OCC1C2NCC(=O)C12,0.1996 COC(C#C)C#CCO,0.2717 OC1CC2NC2C1=O,0.2105 OC1CN2CC12C1CN1,0.2916 C1CCOC(OC1)C=O,0.2248 CCc1cn(cn1)CC,0.2481 OC1CC2CC3OC3C12,0.3242 CCC1C(C)N1CC#N,0.2682 CC1(C)C2CC1N=CO2,0.2577 Cc1c(nc([nH]1)C#N)C,0.1976 C1C=C(COC=N1)C#N,0.213 CC12CC1C1=NC=NN21,0.2385 CC(C=O)(C=O)C1CO1,0.2074 CCCC(=NO)C,0.256 C#Cc1c[nH]c(=O)[nH]1,0.1858 OCCC#CC(O)CO,0.279 NC1=CON=C(F)C1=N,0.158 CC(=O)CC1(CC1)O,0.2179 CCc1coc(c1C)N,0.2315 C1CCC=CC=CC1,0.2059 OC12CC3C1C(C#N)C23,0.3035 CC12OC=NC1(C)C2O,0.2498 NC(C#N)C(N)C1CC1,0.2641 CC(C)C1CC1(C)C#N,0.3153 CC1OC1(C#N)C1CN1,0.2578 O=C1CCCC1C1CO1,0.2193 CCC(CC)NC=O,0.2825 OC1CCCC(C1)C=O,0.2252 CNC(=O)C(C)(O)C=O,0.2136 CN(CC#N)C(=O)C#C,0.2268 NCC1(NC1C#N)C#N,0.2386 OC(CCC#C)C1CN1,0.2929 CCC1(O)C2OC1C2=O,0.2449 C1CC23CC=CC2(C1)N3,0.2434 CNc1c(nn[nH]1)NC,0.2195 CC12CC1NC(=O)NC2,0.2885 CC1NC1C1=CC=CN1,0.2335 COC(C)C1CN1C,0.291 CCC1(NC1(C)C)C=O,0.2228 CC1CC(CC=C1)C#N,0.2644 CC1CCCC1C=O,0.2256 CCCC1CC=CCO1,0.2675 CC1OCC1OCC#N,0.2629 N=C1OCC2=C1OC=N2,0.2064 CCC1(O)CC(C)C1=O,0.2014 CCc1c[nH]c(c1C)N,0.2442 N#CC1COCC2CN12,0.2686 c1c(=O)ncn(n1)C=O,0.1716 CC1(CC(=O)NC=N1)C,0.2339 CN=C(C=O)N1CC1,0.1638 CC(O)CN1N=CC=N1,0.2469 CC1(O)CNC(=O)C1=O,0.1668 NC1=NC=NC(=O)C=N1,0.1647 CCc1c(cno1)C=O,0.2061 CC1C2C3CC3C1C2O,0.3196 CC(C)OC(C#C)C#N,0.2733 Cc1c[nH]cc1C(=O)C,0.1986 C1C=CC2CC=CC1O2,0.2652 FC1=CNC(=N)C=C1F,0.158 CC12CCC1C(O2)C=O,0.2127 c1c(n(c(n1)N)C=O)N,0.1653 CC1C2(C)C3CN3C12C,0.2845 C1C(=CNC(=O)O1)C#N,0.1954 OC1COC11CN2CC12,0.2835 CCCC(CC)COC,0.3378 c1c[nH]c2c1COC2,0.2401 COC(CO)(C#C)C#N,0.2658 CC1C2C3C2C2CC3C12,0.3483 O=CCC1CC=CCO1,0.2226 CC12CC3NC1C23C#N,0.2434 N#CCC12C3CC1OC23,0.2739 COC12CC(O)C1C2O,0.2811 O=CC1OC2C3OC1C23,0.2054 [NH3+]C1C[C-]2OC(=O)C=C12,0.1782 CCC(CC)C#CCO,0.2762 CC1C(NC=O)C1(C)O,0.2615 CC(C=O)C1OC1CO,0.2254 CC(CO)(C=O)C#N,0.2209 CC(C)(C)CCC(=O)N,0.2788 CC(=O)OCCC1CO1,0.2839 CC1CC=C(C#N)C1=O,0.1835 O=C1C2CC3(CN3)C1O2,0.2243 OCC1CCCC(O)C1,0.3361 CC1NC1CC#CC#N,0.2276 OCC1(NCC1O)C#N,0.2712 OCCC1C2CCC1O2,0.3179 NC(C#N)C1CC1C#N,0.2899 CCC1OC2C(C)C2O1,0.3336 CCCCOC1CC1C,0.3303 C1CC23CC(C2)OCC13,0.324 OC1CNC2=C1OC=C2,0.2058 c1cnc(=O)n2c1CC2,0.1849 OC1C2COC1C2O,0.2955 CC(=O)C(C)(O)C1CC1,0.227 C(C=O)NC(=O)C=O,0.1729 Cc1c(cnnc1N)O,0.1953 COC1C2CN2C1C,0.3045 O=C1NC2CC2N2CC12,0.2468 C(C=O)OC(C=O)C=O,0.1989 N=COCC1=CCOC1,0.2421 C#CCC1=NCC(=O)N1,0.2351 CC1CC=CC11COC1,0.258 O=C1NC2C3C4OC13C24,0.2489 CC1C2N1CCC21CO1,0.3113 CC1CC2CC(C)OC12,0.3206 Cn1ccnc1O,0.2485 COC1CC1(C)O,0.3153 CC12CNC1C2(O)C#N,0.2609 CCC(=O)CCOC=N,0.2354 CC1CN2CC2(C)C1=O,0.2149 O=C1OCCCC2CN12,0.2697 O=CC1OC2CC12C#N,0.2156 C1CC23NC12CCC=C3,0.2174 OC1C2OC2C1C1CC1,0.3196 CC1OC1C(CO)C#N,0.3016 CC1(OC1CCO)C#N,0.286 C#Cc1cnc(nn1)N,0.1647 O=CC12CCC3CC1C23,0.2251 CC1CN(C)C(=N)C1=O,0.1687 CC#CC1(C)CC1CO,0.2852 OCC1CC2(O)CCC12,0.3178 C#Cc1nccc(n1)F,0.2036 CCOCC(=O)C1CO1,0.2239 CC1C2C(O)CC12C#N,0.2842 CC(C)C1C2CCCC12,0.3306 CCN1C(C)C(=O)C1C,0.2083 CC#CC#CC(C)(C)C,0.2283 Cc1c(cncc1F)O,0.2113 CNCC[NH2+]CC([O-])=O,0.2529 NC(CO)(C#N)C1CO1,0.2842 CCC1=COC(=N)O1,0.2369 CC1(CC1)C1OC1(C)C,0.342 C1CC2(CC=CC2)O1,0.2668 CCC1CC2(CO)OC12,0.3265 CC1CN=C(CC=O)O1,0.2284 CCC1C2CC(CO)C12,0.323 C1C=Cn2c1c(nn2)N,0.1772 CCCn1ccnc1,0.2535 CC12OC3CC1C2C=C3,0.2371 c1nc(n(n1)C=O)O,0.216 OC(CN1CCC1)C#N,0.2699 OCC(O)(CC=O)C=O,0.2046 O=C1C2C3C2N2CC1C32,0.2146 CC1=CC2N3C1CC23C,0.215 CC(C)C(=O)OC=NC,0.2426 CC1C2C3C4C1CC4N23,0.2957 CCC1C(O)C1(C)CC,0.304 ON=C1CCC2(O)CC12,0.2429 CC1(CN1)C1OCC1=O,0.2149 OC1CC11NC2CC12O,0.2926 Cc1c(cno1)CC#N,0.2403 N=C1NN=C(N1)C#N,0.1673 c1c([nH]cn1)C(=O)N,0.2118 NC(=O)C1COC(=N)N1,0.2396 CC1(O)C(CO)CC1=O,0.2166 COC12CCC1C2C#C,0.2799 CC12C3CC(C13)N2C=O,0.2481 CC1=NOC(=O)C(=N)N1,0.1966 C1OC23C4CC12CC3O4,0.2807 COC(C)COC(C)=O,0.2765 OCC1C2CC3CC1N23,0.2851 CC1CCC2CC2C1O,0.3171 Cc1c2c(nc[nH]2)n[nH]1,0.2081 OCC12C3OC1CC23O,0.2879 Cc1nc(=O)n(nn1)C,0.1638 C1CCC2(C1)CCC2,0.3572 CC1CCCC(=O)C1=O,0.1663 CCC1=CCC(C)(O)C1,0.2587 N=C1OCCOC1=N,0.2249 N#CC1C2C3N2CC=C13,0.1631 CC(C#C)C(O)C#C,0.2827 CC1(CC1)C(=O)C#C,0.2034 C1COc2c(nno2)N1,0.193 c1ccnc(=O)nc1,0.1591 O=CNC1C2CC2C1=O,0.2175 CC1(C(=O)NC(=N1)N)C,0.2401 CC1OCC(C)(O1)C#C,0.2917 Cc1c[nH]cc(c1=O)N,0.1795 CNc1nc(nn1C)N,0.2317 CCC12NC(C1O)C2O,0.3113 OC1CC=CC11CC1,0.2492 c1c(c(on1)N)C=O,0.2016 CCC1=C2CC3C(C1)C23,0.1733 CC1(O)COCC=C1,0.2537 OCC1(O)CC1NC=O,0.248 COC1CNC=C1C=O,0.1847 COC(C#CC)C1CC1,0.2886 CC(CC#C)OCCO,0.3102 C1OC1C12C3C4C3C1C24,0.2964 c1c2c(n[nH]1)NC=NC2,0.213 C1C2CC3=CON=C3C12,0.2443 OC1(COC=NC1)C=O,0.1982 CCn1ccc(n1)N,0.2304 OCC1=CC(=N)N=NN1,0.1695 OCC1NC1(C#C)C#N,0.2522 O=C1CC2(CC1N2)C#N,0.2235 CC1(C)CC(O)C1C=O,0.2231 OC1CCC(CC1)C#C,0.3163 CC1NC11C2CC1C2=O,0.2514 COc1cn[nH]c1CO,0.2273 N=C1OC2CC2CC1=O,0.1889 CC1=CC2C3C1OC23C,0.2242 CN1CC23CC(O2)C13C,0.2678 COC(=O)C(C)(N)C#N,0.2535 OC(CC1CC1)C1CN1,0.3094 CC(O)C#CCC(C)=O,0.2295 O=CN1CC2C1C1CN21,0.2581 O1C2C3OC4C=CC13C24,0.2226 CC1(OC=O)C2COC12,0.2491 CCCC1=NCCO1,0.273 COC1C(C)C11CCC1,0.3062 CC1OC=NC1C,0.2696 NC(=O)C1COC1C=O,0.2217 N=C1NC2(COC12)C#C,0.2435 C1C2CC11CCC=CC21,0.2622 NC(=O)CC1NC1C#N,0.2704 C1OC2C3COC2C1C3,0.3208 CNc1c(cc[nH]1)C#C,0.2049 CN1CC11CCOC1,0.3146 CCC1(C)C(C=O)N1C,0.1942 CC1C(O)CCC1=O,0.2198 Cc1ccn(c1)CC#N,0.2249 C#CC#CC1(CN1)C#N,0.2078 CCCc1cn(cn1)C,0.2481 CCC#CC1(O)CC1O,0.2647 CC1C2C=CC1C2CO,0.238 C#CC(C=O)(C#N)C#N,0.2203 CC(C)(C#C)OCC#C,0.2792 CCC1NC1C1OC1C,0.3183 C#CCC#CCOC=O,0.2689 NC12COCC1NC2=O,0.2529 NC(COC=N)CC#N,0.266 CC1CC2OCC2O1,0.3305 O=C1C2CCC1(N2)C#C,0.2291 CCc1concc1=O,0.1835 O=CC1=CCC2CC12,0.1916 Cc1c(oc(n1)C#N)C,0.1938 CCC12CC3C1C2N3C,0.2874 CCOC(=NC)NC=O,0.2352 CC1C(NCC1=O)C=O,0.193 OC1CC2(OC12)C1CC1,0.3207 CNc1c(nc([nH]1)N)O,0.225 CN1CC1CCO,0.2991 CC1CCC2CC1(O)C2,0.3248 CC1(C#N)C2CC1N2,0.2758 CC1=C(F)N=COC1=N,0.1794 CCC12OCC1C2C,0.3042 N#CC1C2CC1N1CC21,0.2767 C#CC#CCC1CC1,0.2308 CC1CC2(CC2)OC1=O,0.275 Cc1c(cc([nH]1)N)N,0.2218 Cc1c(c(c([nH]1)N)O)N,0.2213 CN1C2C3C(=O)C1C23C,0.2155 CC1(CC1)C(=O)C(=O)N,0.1745 CC1C2C3C1C=CC23C,0.2355 C1C(CO1)C#CCO,0.2744 CC(CO)C1OC1(C)C,0.3203 C1CC1C1C2CCCC12,0.3228 CCC1(C)C2CCC12,0.3334 c1nnnn1C(=O)N,0.2395 NC1(C#N)C2CC1N2,0.271 CC1=CNCC=CC1=O,0.1622 COC1C2CC(=NO)C12,0.2414 CC1C2C3CC2C13CO,0.3326 CC1OC(=O)C1C1CN1,0.2563 CN1C=CN=C(F)C1=N,0.1624 OCC1C2CCC12C#C,0.2676 N#CC12CC3CC(C1)N23,0.2497 C1CCOC2(C1)CC2,0.3254 NC1=NC=NC=CC1=N,0.1628 COC12CC1(C)OC2=N,0.2727 CCC1CC(C)(CO)O1,0.317 C(=Nc1nc([nH]n1)N)N,0.2044 CC1C=CC2(CN2)C1C,0.2359 OCC1CC(O)(C1)C#C,0.288 CC(N)(CC1CO1)C#N,0.2863 CC1C(=O)CC11CC1,0.219 OC12C=CC3C4C1N4C23,0.2367 O=C1C2C3C=CC1CN23,0.1975 CC1(C(N1C=O)(C)C)C,0.2542 OCC12CC1NC2C#N,0.2527 CC1OC2(CC2)C=C1,0.226 CC(N)C1=NC=NO1,0.2329 CC1(COC1C#N)C#C,0.2692 Cc1c(c(n[nH]1)OC)N,0.2373 C1C=CC=CNC(=O)N1,0.1763 O=C1CCC2OCC1O2,0.2134 OCC1C2C=CC1C=C2,0.2164 CCC1CCC1,0.3752 C1CC2COCC(C1)C2,0.3102 OC1C(=O)NC=C1C#N,0.1877 N=C1CCCC(=O)O1,0.2562 O=C1CC2C3CC=C1C23,0.203 OC1C2CC1(O)CO2,0.2878 OC1C2CC3NC3C1O2,0.298 N=C1OCCC2OC12,0.265 N1C2C1C1NC3C2NC13,0.2793 N=C1CCC2CC(=O)N12,0.2381 CC(C(O)C#C)C(N)=O,0.2539 c1cn2c(n1)OCC=C2,0.1871 O=C1C=CC2C(C#C)N12,0.19 C1C2N=C3NC=NC3C12,0.2162 CC12CC(=O)C1N=CO2,0.2056 Cc1c(cn[nH]1)C(=O)N,0.2362 CC1CC(C)OC(=N)O1,0.2882 CN=C(NC=O)C(C)O,0.2156 OC1C2CC2(C#N)C1O,0.2816 CC1C2OCCC(O)C12,0.3122 CC1OC2CC(=O)C12O,0.214 CC12OC3C1OC23C#C,0.2493 N=C1OCC(=O)N1C=O,0.2224 C1CC(=O)C(=C1)C(=O)N,0.1814 CCC1CC(C)(O1)C=O,0.2126 O=C1C2CC1C(=C2)C#N,0.2068 O=C1CC23CC2(CC3)C1,0.218 CC12CCC1=CCC2O,0.2445 CC1CC2=CC=CN12,0.2493 COC1CC(C)(O)C1C,0.3167 c1c(nc(o1)CN)C#N,0.2204 N#CC1=CC2C3CC2C13,0.1922 CN1C2CC(C)(C2)C1=O,0.2573 CCC12CCCC1C2O,0.3043 Cn1cc(c(=O)nc1)F,0.205 CCOC1CC1C(N)=O,0.2655 CCCCCN=COC,0.2694 CN1CC(NC1=O)C#N,0.2612 CCC1C(C2CC2)N1C,0.2879 CC1C2NC2C=C1CO,0.2425 CC#CC1(OC1C)C#N,0.2519 O=C1COC(C#C)C1=O,0.1347 CC(C#C)C1(O)CC1O,0.2953 CC1(CN(C1)C)NC=O,0.2453 CN1CC1(C#C)C1CO1,0.2647 CC1C2CCCC=CC12,0.25 CCCOCC1(CC1)C,0.3344 CC1OC11C2CC1C2C,0.3507 C#CC1NC11CCOC1,0.2736 O=C1CNC2CNC=C12,0.1735 O=CC12CC(CN1)C2=O,0.1941 CC(=O)n1ccc(n1)N,0.1889 CNC(C)C(O)C#N,0.2792 OC(C#C)C1CC(=N)O1,0.276 O=CC(=O)C1(CO1)C#C,0.1471 O=C1OCC11C2CCN12,0.2502 CC1(C)C2N3CC3C12C,0.2821 CC1CC1(O)C#N,0.2942 O=C1OCC2(CN12)C#C,0.2671 CC(C)C(=O)C(C)CO,0.226 c1cc2n(c1)CCCC2,0.2358 CC1N(C)CC11CO1,0.286 CC1(CCC1=O)C,0.2174 OC1C2CC3COC1C23,0.312 C#CC1(CN=CN1)C#C,0.2418 O=CC1=CCC(C1)C#C,0.1928 C1CC=C(C1)C2CC2,0.2471 CC12CC3C(OC1=O)C23,0.2712 CC1(O)C2OC2C1(C)O,0.3038 CC1CN(C)CCC1=O,0.2112 CC1C2CC1(C)C2C#N,0.3252 CC#CC1COC2CC12,0.2851 CCN1C2CC1C21CO1,0.3023 O=C1OC=NC2CC12,0.2427 CC1CCC(CCO)C1,0.3403 C#CC1C=CC2CCN12,0.2283 ON=C1CC2CC2(O)C1,0.2488 CN1CC(C1)C(O)C=O,0.179 CC1(C#N)C2CC=CC12,0.2392 CC1C(O)C11CCC1,0.308 CCOC1C2CCOC12,0.298 CC(O)C12CC1C(=O)N2,0.2538 COC12CC1(O)CC2=O,0.2209 CCOC12CC1C1CC21,0.295 C1OC23CC4CC2C4C13,0.3169 C1C2CC3=COC=C3N12,0.2315 COCC([NH3+])C([O-])=O,0.2725 C#CC(=O)c1ncco1,0.1776 c1c([nH]c(n1)CO)N,0.2257 CCC1C2OCC12CO,0.2966 NC(=O)CC(O)C1CN1,0.2465 Cn1c2c(nn1)CCN2,0.2175 CC#CC1CN=C(C)O1,0.2681 O=C1OC2=C(OCO2)O1,0.1952 CCC1CC2CC1(O)C2,0.3295 OCC12C3C4CN1C2C34,0.3028 CCC1C2CC=CC1O2,0.2372 O=CC1CC1C=O,0.2155 O=CC1C2OC1C2C=O,0.1919 COc1c(c(c[nH]1)O)O,0.2279 C1COCC1(C=O)C=O,0.2178 CN1CC2CN2C1=O,0.2773 C#CC1CCOCCO1,0.2863 CC1OC1(C[NH3+])C([O-])=O,0.2555 CC1NC(=O)C(C)=C1N,0.2137 OC1C2CC2C1(O)C#C,0.2731 CC1C2C(O)C(C)CN12,0.2712 CC(=O)C(O)C(=O)C#C,0.1858 CCC(=O)C#CC1CO1,0.2053 OC12C3C4C3C1C4C2=O,0.2118 CCC12CC3C(C=C1)C23,0.2385 N#CCC1C2CCC1O2,0.2912 Cc1c2c(co1)CCC2,0.2261 CC12CC=CC1C(=N)O2,0.257 CC1(C#N)C(O)C1C=O,0.216 CC1OCC(=NO)C1O,0.2482 CCC1C2CC=CC12O,0.238 O=CC12NC3C1OC23,0.2003 c1cn(cn1)CCO,0.2532 C#CC1CN=C(N1)C#C,0.2049 OC1CC=CC2(CC2)C1,0.2508 CC(C=O)N1C2CCC12,0.2239 CC1=C(C(=O)NCC1)C,0.2127 C1CCN(C1)C=O,0.2656 Cc1c(occ1C#N)C,0.2115 O=CC12OC1C1OCC21,0.2048 COC(C)CC#CCO,0.2841 Cc1c(c(on1)NC)N,0.224 COCCC(C=O)C#C,0.2203 OC1COC23CC12OC3,0.276 CC(C=O)C1(C)CC1O,0.2249 CCCc1cc([nH]c1)O,0.2437 C#Cc1c(c(c[nH]1)O)N,0.1849 c1c(c([nH]n1)C2CC2)N,0.2196 CC1(CO1)C(O)C1CN1,0.3128 C1CC(O1)C1=CN=CN1,0.2398 N=CNC(=O)C1CN1,0.2339 CCCC1CC1C(C)C,0.3486 CCC(C)C1(O)CC1C,0.3226 CC12CC3C1C(O2)C3=O,0.201 C1OC2C3C4C=CC12C34,0.2255 N=C1OC(=O)C2NC12,0.2386 CCCCC1C(C)C1C,0.3358 CCCNC(=O)C(C)C,0.2765 CCC1OC1C(=O)NC,0.2655 CC1=CCC2CC=CC12,0.2472 C1C2C3C2N2C1C32,0.3016 CCC(C)C1(C)COC1,0.3098 N=C1CC=C(CO1)C#N,0.2137 N=C1CCO1,0.2907 CC1=CC(=N)C(F)=CN1,0.1864 COC1(CC1)C(F)(F)F,0.3594 CC1N2C3C2C1(O)C3O,0.2925 COCC1(C)C(C)C1O,0.3156 c1cncn2c1ccn2,0.1824 Cc1nccc(=O)o1,0.1951 CC1CCC(=O)C(N)=N1,0.1717 CCOC(=O)C1CC1C,0.279 CCC(O)C1=NON=C1,0.2314 CC1NC(=O)C(C)C1O,0.2717 CC12OC3C1C1(CO1)C23,0.3171 C1CC23CCCC12O3,0.3286 CC12NC3C1OC23C#N,0.241 N#CC1CC1CC1CC1,0.3106 CCC1(C)COC(N)=N1,0.2807 OC1C2OCC11CCC21,0.3209 CN1C(=O)CN=C1C#N,0.1933 CC1=CC(O)CC1,0.2583 CC(=NO)C1CC(O)C1,0.2399 C(COCC(=O)N)O,0.2391 c1nc(=O)c(c(o1)N)N,0.1771 OCC(O)C(=O)C=O,0.1487 CC(=O)C1CCCCO1,0.2296 N=C1NC(=NO1)C#N,0.1768 CC12OC(=O)C1C1NC21,0.257 C1C(=NCC=O)OCO1,0.2248 OCC1C(O)C=CC1O,0.2386 OC1CC=C2COC2C1,0.2518 COCC1(C)COC1=N,0.2767 COCc1c(nn[nH]1)O,0.2248 O=CC1=CON=NC1=O,0.1899 Cc1cc(cnc1)C=O,0.182 CC1CC2=NNC=C2N1,0.2134 NC(=[NH2+])C1=CC(=O)N[CH-]1,0.0886 N#CC12CCOCC1O2,0.2749 OCC1C(O)C1(O)C#C,0.2533 CC(C(O)C=O)C1CO1,0.2226 CCC1CC(C)C1(C)O,0.3189 CC#CCNC(=O)N,0.2845 CC12CCN1C1CC21O,0.2801 CCc1c(cccn1)N,0.1979 CC1NC2COC12C=O,0.1929 c1ccc(cc1)CO,0.2384 CC1=CCOCC(=O)C1,0.2028 C1CC2COCCC1O2,0.3162 CCCC12CC1CC2O,0.3187 C(C#CCO)C#CC#N,0.2249 C1C2C3CC4C1N4C23,0.3202 c1cn(cc1N)CC#N,0.2018 c1c(c(nc(n1)O)N)F,0.2043 OC1COC2CC12O,0.2896 CC(NCCC#N)C#N,0.2776 COC1(CC1(C)N)C#N,0.2796 C1CC2C1C1C3OC1C23,0.3028 CC1(OCC=CCO1)C,0.2635 COC1CCC(=N)O1,0.291 CN1C=NC(=N1)C1CO1,0.2545 C#CC1CN1,0.2744 CC1COC2CCCC12,0.313 C1Cn2c1n[nH]c2=O,0.2384 O=C1CCC1NCC#C,0.1999 CCC1CN=COC1C,0.2746 CCOC1CC1C1CC1,0.3284 CC1(O)C2C3NC3(C)C12,0.3159 CC1CC11C(O)CC1=O,0.2166 Cc1c[nH]cc1N(C)C,0.2314 CC1(O)C2COC=NC12,0.2469 CC12CC(=O)CC1N2,0.2226 CC1=C2NCC2CC1=O,0.1982 c1c(nc([nH]1)C=O)C=O,0.1787 CC1(C)OCCC2OC12,0.3314 COC1C2C3CC2C13C,0.3406 C#CCC#CC1CO1,0.2691 c12c([nH]nc1O)[nH]nn2,0.2154 Cc1ccc(cc1)C,0.2322 C1CNC(=O)C1=NO,0.1957 Cc1nc(on1)N2CC2,0.2423 COC(C)C1COCO1,0.338 CC1=CC2(C)OC2(C)C1,0.2421 CC1(C)CC2(CC2O)O1,0.2939 c1c[nH]c2c1C(=O)CN2,0.1897 O=C1CCC1N1CC1,0.1906 CC1(NC11COC1)C#N,0.2686 COC12C3OC1C(O)C23,0.2971 CC1N=COC1C(C)=O,0.2196 CC1OCC2CC1(C)C2,0.3258 O=CC1CCOC(=O)N1,0.2112 CC12COC(C#N)C1O2,0.2916 CCC1C2C(=N)OC12C,0.2766 O=C1CC2C3CC3C2N1,0.2757 CC1(O)CN(C=O)C=C1,0.2107 C#CC12CC3C1CN23,0.2553 N#CC1(CN=CN1)C#N,0.2396 N=CN1C(CC1=N)C=O,0.1917 CCOC(C#C)C(C)C,0.2999 c1[nH]nc-2ncnc2n1,0.1738 OC1CCC=CCC=C1,0.2381 CCC#CC1(CCC1)C,0.2949 CC1(CC=CC1)C=O,0.2235 C1C2C3CC1OC23,0.3266 C1NC11C=CC2CC12,0.2369 CC(C)C1(C)CN1C=O,0.2542 CC1OC(=N)OCC1O,0.2986 C#CC1=NC2(CC2)CO1,0.1991 OC1C2NC3C2NC13,0.281 CC1CC2(C)C3CN3C12,0.2903 O1C2C1C1C3C4C3N1C24,0.2903 C(CC(=O)N)CC(=O)N,0.2708 CC1CC2C3CC1C23O,0.31 O=CC1CC11COC=N1,0.2104 CCOCC(N)C#N,0.2851 CC(=O)CC1OC1CO,0.234 C(C=O)OC(=O)CC#N,0.2301 CC1NC(=N)C(=O)C1C,0.1779 O=C1CCN2CC2C1=O,0.1607 NC(=[NH2+])CNCC([O-])=O,0.2087 CC1OCC11OCC1=O,0.2132 COC1C2CCC1CC2,0.3221 CNC1=CNC=NC1=N,0.1815 CC(C#N)C1CCN1C,0.2663 N=C1OC2CC3OC1C23,0.2621 N=C1N=CNC=NC1=O,0.1828 C1c2c(nno2)N=CO1,0.1826 CCCC(=NO)C#CC,0.2077 CC12C(CC1O)C2C=O,0.2158 CC1C(C)N(C)C1C#N,0.2554 CC#CC(C)(C=O)C=O,0.2049 CC1CC2C3CC(C1)C23,0.3276 O=CNC12CC1OC2,0.2534 CC1C=CCC2OCC12,0.2571 O=CC1OC11CCC=C1,0.2073 CN1CC1(C#C)C1CC1,0.2613 CCC12CC1C=CC2O,0.239 CCC1=CC2OC2C1O,0.2377 OC1C2NC1C21CCO1,0.308 CC1CN1C(=O)C(C)=O,0.1724 CC12OC1C1OC2C1=O,0.2427 CC1(CCC1=NO)C=O,0.2102 O=CC(C#N)N1CCC1,0.2043 C1OC11CC2CN2C1,0.3108 CC1C2NCC(=N)OC12,0.2552 C1C2CC3OC12CC=C3,0.2595 C1CC23CCC2=CCC13,0.2425 N#CC12NCC1N1CC21,0.2423 CC1=CC2(C)NC1C2=O,0.2331 CCC1OC(C#N)C1=O,0.2204 CC1C2OC3C(C)C2C13,0.3222 CCC1C2CC2C1C#N,0.3055 CC1NC(C#N)C11CO1,0.2706 CC1=CCC2CC12C#N,0.2463 O=CC12CC3(CC3)C1O2,0.2142 CC(C)N=C1OC2CC12,0.2644 CC#CC1C2C3CN1C23,0.2581 CC(C)C1C2CN2C1=O,0.2322 CCC1C2CC1(O)C2C,0.3314 Cc1c([nH]c(=O)[nH]1)N,0.2291 Cc1c([nH]nn1)OC=O,0.2296 CC1CC(CC1O)C#N,0.319 NC1CC1([NH3+])CC([O-])=O,0.2714 c1c([nH]c(=O)[nH]c1=O)N,0.2147 CC(C)C(C#C)N1CC1,0.2822 COC(CO)C#CC#N,0.2264 CCC12CC(C1)(O2)C#C,0.2559 CC1C2C3C(O)C3C12C,0.2684 Cc1cc2cn[nH]c2[nH]1,0.2201 OCC1C2CC1(O)C2O,0.3106 NC1=CC(=O)CC1C#N,0.2052 CCC(CO)CC#N,0.2898 CC1(CCO)CN=CO1,0.2729 N=C1OCOC(=N)C=C1,0.1872 OC1CC(OC1=O)C=O,0.222 N=C1OC2CCC2=C1,0.2067 OC1C(O)C11CCOC1,0.2846 c1cnc([nH]1)OC2CC2,0.2515 OC1(CC1)C1CC1C#N,0.2853 CC12CC1C1(CC1)OC2,0.3168 CC(=O)C#CCCCO,0.2083 OCC1CC1CO,0.3308 C#Cc1cnc(cn1)N,0.1729 O=CC(CC#C)C#N,0.2177 O=C1CC23CC4C2CC134,0.2087 COC12CCC1(C)OC2,0.3031 CN1C(=N)OCOC1=O,0.2619 c1cc(oc1)N2CCC2,0.2153 c1c2c(no1)OCO2,0.2303 C1CC(C1)CNCC#N,0.2692 C1C2OC1C1=C2OC=N1,0.2166 COC(=O)C(O)CC#C,0.2503 CN1N=CC=C1C1CO1,0.2406 O=C1CCC(CO1)C#N,0.2697 CC1CC(O)CC1C=O,0.2218 C#CCC1=CCOCC1,0.259 CC1CC(=O)C1CO,0.219 CC1OC2C(=N)OC12C,0.2629 CC1N(C)C2CC12O,0.2732 Cc1c(cc([nH]1)CO)N,0.2109 CN=COCCC1CC1,0.2728 CC1CNCC(=O)C1C,0.1965 CNC1C(O)C1(N)C#N,0.2538 C(CO)COCC#N,0.2846 NC(=O)C1C2OC1C2=O,0.2264 NC(C#C)C1=CC=NO1,0.2364 C1OC2COCCOC12,0.305 CC1C(O)C1C1(C)CC1,0.3065 O=COC12CC3CC1C23,0.2631 C1CC23COC12CC=C3,0.2554 COCC1=NCC(=O)N1,0.2349 C1C(=NO)C=CN1C=O,0.1679 CCNC(=O)NC,0.3042 CCC#CCC(O)C#C,0.2718 CC1(C)NC1(C)CC=O,0.2154 C1CN2C1C21CCOC1,0.3098 CC(C)C1CC(=O)C=C1,0.1917 CC(C)(CC#C)OC=N,0.2824 CC1OC(=N)C2C1N2C,0.2548 c1cc(c(nc1)F)F,0.2221 COCC1CCC(O)C1,0.315 C1CC23CC4CC12CC34,0.3306 CC(C)CCOC=NC,0.2728 c1ccc2c(c1)cno2,0.2032 CC(C)NC(=O)N1CC1,0.2828 OCC1CC2C3CN3C12,0.2912 C1CC1c2c(nn[nH]2)O,0.213 C1C2NC3=NCCN1C23,0.2044 OC1CC11CC2CN12,0.3024 CCC1CC11COC1=N,0.2807 CCC12OC3CCC1C23,0.3023 O=C1CNC2CCC2O1,0.2545 Cc1c(cco1)C(=O)C,0.1936 CC1CC1(CO)CCO,0.3152 CC1C2C3OC1C(C)C23,0.3187 Cn1cnc2c1[nH]nc2,0.2282 CCC1C2CC3(CC3)C12,0.331 COC1COC(=N)C1,0.2847 CC1C2NC1(C=O)C=C2,0.1935 C(COCCOC=O)O,0.2806 c1cnc-2coccc12,0.161 CC1OC(=O)C1(C)C=O,0.2177 CN1C(=O)CCCC1=O,0.2352 NC1=NON=CC1=N,0.1648 CC1CC2C(NC=O)C12,0.2705 c1c(onn1)C#N,0.212 C1C(CC1=O)CCO,0.2233 Cc1cc(co1)OC,0.2292 CC1CC(=O)C1C1CC1,0.2171 CC1(C)CC(O)CC=C1,0.2677 CC(C)(C#C)C(=O)OC,0.2756 COC(=O)C1=CCCC1,0.2167 COCC1CCNC1=O,0.2702 CC1C2C3CC(N23)C1=O,0.2154 FC1=C(F)C(=N)C=CO1,0.1938 O=C1CC2CCC(=O)C12,0.1967 CC(C#C)(C#N)C1CC1,0.298 CNc1cnc(nc1)N,0.1636 C1C2CC11C=CC3C1N23,0.1731 N=C1C2C3N=CN1C23,0.2152 OC1(CC#C)CC2NC12,0.2709 CC1C2CC(O)CC1O2,0.3062 O=C1C2CC=CC1O2,0.2165 CC1(COC=O)CCO1,0.272 C1CC1C12CC(C1)C2,0.3595 [O-]C(=O)C12[NH2+]C3C1CC23,0.2121 CC(C)(C)CC(=O)OC,0.2814 CCOC1(CC1)C#N,0.2922 Cc1c(n(c(=O)o1)C)N,0.2332 CCc1cc(oc1)CO,0.2322 OCC1C(C#N)C1C#N,0.2747 N=C1NC=C(C=O)N=C1,0.1606 CN=C1N(CCO1)C=O,0.2337 CC12CC3C(OC13)C2=O,0.2084 CN=COc1[nH]ccn1,0.2243 CC(NC1CC1C)C#N,0.256 CN1C(=N)CN=C1C,0.22 CC1CC2=CCC(C)C12,0.2488 Cc1c2c(no1)C=CC2,0.2121 CC1=C(NC=C1)C1CN1,0.2392 CC#CC(=O)C(C)(C)C,0.2034 CC12C3CC1CC(=O)C23,0.2211 c1c([nH]c(c1N)O)CO,0.2208 CCCC1(C)CC1CC,0.3402 Cn1cc(cnc1=O)F,0.166 OC1CC(C#C)C1=O,0.2112 CC1C2CC1(C)CC2,0.3586 CN=C(C=O)N(C)C,0.1629 O=C1C2C=CC3OC2C13,0.2021 O=CCC1COCC=C1,0.2223 OC12CN3CC1(O)C23,0.266 OC(CC#CC#C)C=O,0.2053 CC(CCO)C=O,0.2273 C1CC1OC(=O)C(=N)N,0.2002 N=C1C=NC=NOC1=O,0.173 CC1COCC2OC12,0.3302 FC(F)(F)C12CN1CC2,0.3192 C1C2CC1C1=CCOC21,0.2433 CC1=NOC(=N)C=C1N,0.1606 OCC1=CC2CN3C2C13,0.2324 CC(=O)C(CO)OC=N,0.223 CC(C)(C)CC#CCO,0.2762 C#CCC12OC1C1NC21,0.2666 CC(C)c1conn1,0.2318 C1CC2(C1)CO2,0.3343 ON=C1C=CNC1C=O,0.164 C1C2OC11COCCC21,0.3125 OC1(CCN2CC12)C#N,0.2548 OC1C=CC2(CO2)C1=O,0.1996 COC12CC3(O)CC1C23,0.3123 CCC(=NO)C(C)(C)C,0.2522 CC1C2CN2C1(C)CO,0.3184 CCOc1c[nH]c(=O)o1,0.242 CC1COCC2OC12C,0.3296 CC1(O)CCC2CC12,0.3312 CCC12CN1CCC2=O,0.2166 CC1=CC2(O)CC2C1O,0.2382 COC(C#C)C(N)C#N,0.2812 CC1CC(C#C)C11CN1,0.2879 CC1=CCC2=CCOC12,0.2478 CC1(C)C=CC2CC1O2,0.2393 CCCC(=O)CC(=O)C,0.207 O=CC12C3OC(C13)C2=O,0.2003 COC12CCOC1C2O,0.3027 CC1CC(=O)C(O)C1=O,0.1922 CCC1(C)C2NC(=O)C12,0.25 CC1CCC1(O)CCO,0.3194 COCCCCCC#N,0.2955 N=C1CC=CC(O1)C#N,0.2464 Cc1c(c(no1)N)N,0.2267 CC#CC#CC(=O)C#C,0.1622 CC1CC1CN1CC1C,0.305 C1CC2(C1)CNC(=O)N2,0.302 CC(=O)C1CC=CC1,0.2297 CC(C)(C=O)C(=O)CO,0.202 CC1=CC(CC1O)C=O,0.2167 CC(C)(CCOC)O,0.3117 CN(C)c1c[nH]c(=O)[nH]1,0.231 CC1COCC1C,0.3197 COCC12CCC1N2C,0.3218 c1cnc(cn1)OC=O,0.1993 C1CC1(CC=O)CO,0.2125 CC12N=CN3C=NC1C23,0.1991 CC1(C#N)C2CCOC12,0.2838 CC12CCC(C1)OCO2,0.3291 c12c(onc1onn2)N,0.1729 CCC1N2CCC12C#C,0.247 CC1OC2(CC#N)CC12,0.277 N=COCC(C#C)C#C,0.277 CC(CC#C)CC#C,0.2958 C1COC(=O)C(=O)CO1,0.1731 C1CC2OCC1CO2,0.3193 OC1CC=CC2NC2C1,0.2444 CC1CC2(C1)NC2CO,0.3166 Cc1c[nH]c(=O)nc1O,0.1912 CC1(CO)OC2CC12,0.3143 CC(=O)CC(CO)CO,0.2342 OCC1(CN1C=O)C#C,0.2479 CC1CC(C#N)C11CN1,0.2863 O=C1C2CC3(C#C)C2N13,0.2426 CC(=O)C1OC1CC#N,0.2206 CCC12C3C4N3C1C24O,0.2675 CN=C1C=NON=N1,0.1641 OC1CCC=CC=C1,0.1925 O=C1C=CNCC2CC12,0.1914 CCC1CCCOC1,0.327 CC12NC1C1NC1C2O,0.2839 COC1(C)CC1OC=O,0.2781 c1c([nH]c(n1)CO)CO,0.2369 [NH2+]=C1C=N[N-]C=C1C=O,0.1527 COC1C2NC1C21CO1,0.3183 CC1OC1C1=NOC=N1,0.2393 C1CC(C1)C#CCCO,0.2941 NC1C(OC1=N)C1CN1,0.2604 CC12C3CC1(OC23)C#C,0.2494 OC1CC1N1C=CC=C1,0.2424 CN1CC2(C1=O)COC2,0.2706 O=C1CC2CC(=O)OC12,0.205 C1C2C3C4C5OC13C2C45,0.3331 C#CC1=CC2CC1C=C2,0.1864 OCCC(CO)C#C,0.3046 CC#CC1(NC1C)C#N,0.254 C#CC(=O)CCC(=O)N,0.196 NC(=O)C1C2CC1C=C2,0.2286 NC1=NCC(OC=O)O1,0.2373 C1OC23CN(C2)CC13,0.3105 c1c(onc1N(=O)=O)N,0.1583 N#CC12C3NCC1OC23,0.2401 OCC12CN1CC1NC21,0.2984 CC1=CC2C3CC2(O)C13,0.225 CCC1C2CC1(O)CC2,0.3251 O=C1CC2(CC3NC23)O1,0.262 O=CC1NC1C1CCO1,0.2209 C1OC23COC12C1OC31,0.2797 O=C1OC2C3CC(O3)C12,0.2764 CN=c1cc(onc1)F,0.1696 CCC([NH3+])C1=NC=N[N-]1,0.266 OC12CC1OCOCC2,0.3131 c1c(c(on1)C=O)C#N,0.1792 N#CC1=CC2NC2CC1,0.2041 CC1(CC1C=O)C(N)=O,0.2208 CCOC1C2CC1C2O,0.3199 CCC1=CCNC1=O,0.2224 COc1c(n[nH]n1)C#N,0.212 CC1CCC=C1C1CO1,0.2432 NC(=[NH2+])C1=C([O-])C=NN1,0.1461 CC1C2CN3CC3C12C,0.2944 CC(=O)N1C2C3CC2C13,0.2494 CC(O)C(O)C(O)C#N,0.2761 CCc1c(cc[nH]1)C#C,0.2159 OC12CC34COC(C13)C24,0.315 C1COC12COCOC2,0.3124 CN1C(C=O)C2CC12C,0.1858 CC1=NNC=C(O)C1=N,0.1745 O=C1CNC2C3CC1C23,0.1893 CC12CC3CC1C3O2,0.3313 CC1(C)CC1(C)NC=O,0.2736 CC1CCCC(O)C1,0.3372 OCC(C#C)C1CN1,0.2797 NC(CNC=O)C#N,0.2707 CC(C#N)C1CCCO1,0.2969 CC1(CC1O)C(O)C#N,0.2814 OC1C2(O)CC1(O)C2,0.3093 OCC1N2CCC12C#C,0.2495 OCC1OCC1C#N,0.2785 CC1C2CC1C2CCO,0.3432 CCn1ccnc1OC,0.2475 CC1CC2(CC12)C(C)=O,0.2255 N=C1OC2COC1C=C2,0.2324 C1OC2CCOCC=C12,0.2439 CN1C(CO)C1C1CN1,0.2862 CCC1(CO1)C1CN1,0.3286 C#CCC1OCC2OC12,0.3092 CC1CN(C=C1)C(C)=O,0.2074 CC(C)Nc1nnon1,0.1895 Cc1ccncn1,0.2122 COc1c[nH]c(c1N)O,0.2453 CC(O)C1N=CNC1=N,0.2222 C1CC23C=CC4C2OC134,0.2001 CC1(O)CC11OCC1=O,0.2163 CN1CC1(C#N)C(C)=O,0.2161 CC1OC2C3COC3C12,0.2936 CCCNC(=O)C#CC,0.2324 COCC12OC3CC1C23,0.2967 CN1CC1C1(C)CN1,0.302 CC#CCCOC=O,0.2642 N#CCCC1(CN1)C#N,0.2947 CC(=O)C1(C)OC1C=O,0.2083 C1OC2C1N1C=CN=C21,0.2397 N#CC#CC12CCC1N2,0.2198 OCC1(C#C)C2COC12,0.2713 CC1=CN=CC=NC1=N,0.1485 CC1(CC(CO)O1)C#C,0.2761 CNC(=O)CC(=O)CO,0.209 O=C1CC2CCC2CN1,0.2705 CC(C)(O)C1CC1C=O,0.2244 CC12CC1(OC2=N)C=O,0.2137 C1CC2C1C21CCOC1,0.3332 CC12CCC1CN1CC21,0.3036 C1NC1C1=NC2CC2O1,0.2455 Cc1ccoc1C=O,0.1888 CC1C(C)C2(O)COC12,0.3029 CC#CCCCCC=O,0.2232 Cc1c(nco1)C(=O)C,0.2046 C1COC2(C1)OCC=C2,0.2591 CC1(COC1=N)C1CN1,0.2608 CC(O)(CO)C#CCO,0.2785 COC12CC(C1O)C2=O,0.2268 Cc1c(c([nH]n1)C#N)N,0.1891 CC1CCC2C1OC2=N,0.2874 OC1C2CCCC1C=C2,0.2557 OC1C2OCC22COC12,0.2874 c1c(cn[nH]1)C#N,0.2433 CC(O)C1C2OCOC12,0.3176 CC1CC2=CCOC2O1,0.2513 CNC(=O)CC1CC1,0.2749 OC1(CC1CC#C)C#C,0.272 N#CC1CC1N1CCC1,0.2458 c1c[nH]cc1CC2CC2,0.2499 c1c2n(cnc1=O)CC2,0.199 N=CNC(=O)CC1CO1,0.2373 CC1(C)C2CC1(O)C2O,0.316 COC1C2NC1C2(C)O,0.2936 O=CCC#CC1CO1,0.2204 CC12CC1(C)OC2,0.3117 CC1(C)CC1(C)CC#N,0.3116 Cn1cncc1CC#N,0.2447 CCn1cnc(n1)C,0.2648 C1CC2=CCOCC2=C1,0.1971 OCC1NC1CC1CO1,0.3207 OCC12NC=NC1C2O,0.2374 OC1C2CN2C1CC#N,0.2869 c1c(cnc(c1N)N)O,0.1829 C1C2C=CC3=C2N1C=N3,0.1763 COCC(CC#C)C=O,0.2274 CC1OC1CC(C)(C)O,0.3236 CC1C2OC1C(O)C2O,0.2866 CCC(CO)C(N)C#N,0.272 C1CC11COCC2OC12,0.3312 COC12CC3C4C(C14)C23,0.3176 c1conc1N2CC2,0.2342 N=C1N=CON=C1C=O,0.1612 c1c[nH]nc1N,0.2353 OC1CC2=CCC(=O)C12,0.2202 CC1NC(CC#N)C1=O,0.2164 CC1OCOCCC=C1,0.2515 O=CCC1CC1C1CO1,0.2261 CC1CC1C1OCCO1,0.3434 CC(C)C1OC1C1CC1,0.3367 CC1C2CC1(C)C2C#C,0.297 CC#Cc1c(nno1)C,0.1918 CC12CC(O1)C1(CN1)C2,0.3174 CC1C(CO)C1OC=N,0.265 CN1CC2CCC12C#N,0.2397 O=CC#CC12CC(C1)C2,0.2017 CCC1CC11OCC1C,0.3036 O=CC1CC2CC2C1=O,0.2066 Cc1cc(n2c1CC2)N,0.2217 CCNc1nnon1,0.1919 COc1cc(oc1)C#N,0.1917 CC1C2CN(C12)C(C)=O,0.2579 O=C1CC2N1C21COC1,0.2346 C1CN1C1C2C3OC3C12,0.2708 OCCN1C2C3CC3C12,0.2795 CC1CC2=C(NN=C2)N1,0.2308 OC1(CN2CCC12)C#C,0.2386 OC1=C(OC=N)C=CN1,0.1764 C1CC1C12CC1CC2,0.3202 CC(O)C(=O)C1CN1C,0.2001 CC12CC3CC=C(C1)C23,0.2171 [NH3+]CCC1=N[N-]C(=N)O1,0.1593 OC1C2C3C(C=O)C1N23,0.2191 CC1C2(C)CC1(CO)C2,0.3379 Cn1c(c[nH]c1=O)O,0.2311 CC(C)CC(=O)C(=O)C,0.1571 N#CC#CCC1CN1,0.2222 N#CC12CC3CC(O1)C23,0.2648 C1CN(C(=N1)CO)C=O,0.2248 CCN(C1CC1)C(=O)N,0.2795 COCC1CCCCO1,0.3317 CCC1C2CC1(C)C2O,0.3199 O=CCOCC1CO1,0.2292 CCN=c1occo1,0.2318 OC1C=CCC2CC1O2,0.2606 CC1OC2CC(C2)C1O,0.3048 CCNc1nc(on1)N,0.2405 c1c(cn[nH]1)CC=O,0.2181 CC1C2COC1(C)C2O,0.3052 CCC#CC#CCCO,0.2242 O=CC1CCCN=CO1,0.2103 CCC1C2N3CC3C12O,0.2828 CC1CCN1CC#N,0.257 C1OC2C=CCC22NC12,0.2509 CNC(C#N)C1CO1,0.2775 C1OC2C3C4C5C3C12N45,0.2872 CC(O)C(O)C(F)(F)F,0.3266 NC1C(O)CC1C#N,0.2749 COc1ccnc(=O)[nH]1,0.1861 CC1C(=O)NCC1(C)O,0.2745 CCCC(C)(C=O)C#C,0.2189 CCC1(CO)NC1C#C,0.2755 CC1CCC2CC12C,0.3367 CC1OC2C=CC1C2O,0.2465 CC12OC3C4CC4C1C23,0.2931 NC(C#C)C1=NNC=N1,0.2448 COC12CCC1C2(C)O,0.2992 Cc1c[nH]cc1C#C,0.2204 C1CC12COC23CC3,0.2966 COC12CC1C1(C)NC21,0.2853 CC1(C)CCC2(CO2)C1,0.3307 CCCCOCC#CC,0.284 N#CCN1CC2CC2C1,0.2597 O=C1OCC11NC1C#N,0.2537 CC1=CCC2NC2C1O,0.2614 OC1CC2(COC2=O)C1,0.2703 CCN1N=NOC1=N,0.2049 CCNC(=O)C#CC,0.2333 Cc1cc(c([nH]1)O)NC,0.2127 CC1CC2COC(=O)C12,0.2687 CCC#CCC(O)C#N,0.2671 CC1(C)CC2(CO)CN12,0.2991 CC1=CCC(C)(O)CC1,0.2606 C1C2C=C3CC4C2N1C34,0.1786 CC12CCC(C)(C1)OC2,0.3114 CC12CC1(O)C1(CN1)C2,0.2877 CC(O)(C#C)C1CC1O,0.3023 C1OC11CCOC=NC1,0.2645 CC1C2C(O)C2C1C=O,0.2042 CCC1(C)OC11COC1,0.3165 CNc1c[nH]nnc1=O,0.1635 NC12C(CC1O)C2C#N,0.2793 CC1COC(C)C11CC1,0.3164 CCC1(C)CC(C)C1C,0.3429 CN=C1NN=CC(N)=C1,0.1546 CC1(C)OCOC1C#N,0.2862 CC1OC=NC1(C)CO,0.264 COC12C=CC3CC1C23,0.2355 C1NC1C12COC1CO2,0.2982 CC1=CC2COC(C1)O2,0.2522 OC1CNC2C1OC2=N,0.2578 CNC12C3OC1CC23O,0.2805 CC1CCC2CC2(C)C1,0.3314 COC1COCC(O)C1,0.3058 OCC12CCCC1O2,0.337 C(C1CC1)C1CCO1,0.33 CCCOC1CC1(C)C,0.3304 Cc1ccnc(c1F)C,0.225 CC(C)c1noc(=O)o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n1c(=O)oc(n1)N,0.2107 COCC(C)OC=NC,0.2721 COC(=O)C1(O)CC1C,0.2529 C#CC1CCC2OC12,0.3055 CC(CC=O)C1CC1O,0.2273 O1C2C=CC1C=CC=C2,0.1898 OC1C(=O)NC11COC1,0.2645 N#CC1CC2NC12,0.28 OC1C(CC1=O)C#C,0.2133 CC1CC1(C)OCC#C,0.2794 CC(C)C1CC1C,0.3498 C#CC1(CC1)C#CCO,0.2604 N=C1CNC(=O)C(=O)O1,0.203 C1CC11CCC2OC12,0.3486 CCC1OC=NCC1=O,0.203 CN1CC=CC(C1)C#N,0.2257 CC1(CCC#N)CC1O,0.3053 NC(CCN1CC1)C#N,0.2676 CC1C2COC1OCC2,0.3258 C1CC=C(C1)C#CC#N,0.1815 COC1C(C)C11CCO1,0.2782 C1C2OC(C12)C1CCO1,0.298 CC1(CO)CC(O1)C#N,0.2664 C#Cc1nc(on1)C#N,0.1971 c1c(onc1O)C(=N)N,0.2019 CC1C=CC2=C1C=CN2,0.1777 CCC(N)(C#N)C#CC,0.2707 CCC1CCOC1=NC,0.2707 C1CC1C1=CC2OC2C1,0.229 CC1=CC(=O)N(C1)C,0.2114 OC1C2CCC(O)CC12,0.3151 CCCNC(=NC)C=O,0.1608 CC1(CO1)C#CC#C,0.2181 c1cnn[nH]1,0.2618 COCC1COCCO1,0.3115 CCC1C2CCC1OC2,0.3103 O=C1CC2C3CC1CN23,0.2259 CN=C1OC(C=O)C1O,0.1931 CCC(C)(O)C1NC1C,0.3119 CC1C(C)C11CCO1,0.2912 CCC1(C=O)C2CC1C2,0.2171 OC1CC11C2CC1C2=O,0.2525 CCCC1C2CC(=O)N12,0.2341 C1CC1C(=O)C=O,0.1539 CCOC1C(C)C1(C)O,0.3105 CC1(O)CNC(=O)C=C1,0.2011 CC([NH3+])C(C)(C)C([O-])=O,0.2774 c1c(c(co1)N)CC#N,0.2173 CCN=c1[nH]nnn1C,0.195 C1OC2C1C21CN=CO1,0.2475 CC1(CC1)C2(CC2)O,0.3162 OC(CC1CCO1)C=O,0.2138 CC1N2CC3C1(O)C23C,0.2845 C1CC=CC=CC=CC1,0.1613 C1C2COC=NCC1O2,0.2257 OCCOC1C2COC12,0.3062 NCC1(CNC=N1)C#N,0.2349 O=C1COCC2CN2C1,0.2067 CC1CN1C1=CC=NN1,0.2394 CCC1(C)CCC1O,0.3296 CC1C2COCC1C2O,0.3187 CC1(C)C2C3CC2(O)C13,0.3295 C#Cc1c[nH]nc1O,0.2183 Cn1c(cc(=O)cn1)O,0.1884 c1c([nH]cn1)COC=O,0.2311 N=C1OCC1OCC#C,0.263 CCOC1CC11CCC1,0.3091 CC#CC1=CC2NC2C1,0.1971 CC1=Cc2c(cn[nH]2)C1,0.1881 C#CCn1cnc(n1)O,0.2446 C1CC(C1)C2OCCO2,0.3398 CN1CC1(CO)C1CO1,0.2922 OCC12NC1CC21CC1,0.2784 CC([NH3+])(CC#N)C([O-])=O,0.2686 C1CCCNC(=O)CC1,0.267 C1CC11COC2CCC12,0.3172 Cc1ccnn1C,0.2575 CC#CC(=O)C(C)C,0.2054 CC1C(O)C1(O)CC#C,0.2647 CC12C3CC1CC(O)C23,0.3224 CC1NC11CC2CC12O,0.2877 OCC1C2OCCOC12,0.2988 CC1NCC(=O)OC1=N,0.2351 COC1CC(=O)C1(C)C,0.2166 CC(O)C(=O)C(C)CO,0.2319 CC1C2N3CC2(CO)C13,0.286 CC1NC1CC(O)C#C,0.2923 CC1C=CC(=NO)C1=O,0.1722 COc1ncc2n1CC2,0.2512 CC12CC(O1)(C#N)C2=O,0.2385 O=C1NC2C3OC1C23,0.2341 CCC1C2C3OC2C13,0.305 CC(C)(CC=O)C=O,0.21 c1c(coc1N(=O)=O)N,0.1472 COC1C2C3NC3C12,0.2654 CC1C2(C)CC=CC12C,0.2437 CC1(C)CCC1C#C,0.2996 CC1(CCCO1)C,0.3168 N=C1NC(=O)CC11CC1,0.25 C1NC11C2C3CC1OC23,0.31 CC(=NO)C1NC1C=O,0.2266 CC(OC(C)C=O)C=O,0.2162 NC1=NC(=N)C=NC=N1,0.1637 C1CN1C1CCOC1,0.3203 CC12OCC3CC1C23C,0.3069 c1nc(c(c(n1)O)O)N,0.2144 CC1COCC2CN12,0.2961 CC(C#CC=O)C1CO1,0.2043 CCCC1CC(=O)C=C1,0.1916 C1CC1(CCCC=O)O,0.2279 CN1CC(O)C11CC1O,0.2674 N=C1NC=NC=N1,0.1774 CC1(COCC=C1)C,0.2663 Cc1c(c[nH]n1)C=O,0.2042 OC12CC3C1COC23,0.3023 OCCC(O)CCC#C,0.3135 CC(O)C12CCCC1N2,0.3095 N=COCCC=O,0.2267 c1[nH]c2c(n1)c(n[nH]2)N,0.2175 CC1(C)C2C(O)CC12O,0.3076 O=CC1C2C3C=CC1C23,0.2032 N=C1OCC11CC=CC1,0.2652 CC12COCC(O)C1O2,0.3102 CCN1CC(O)C1=NC,0.236 OC1(CCC11CC1)C=O,0.2252 COCC1COC1=NC,0.273 CCC(C)C1CC(=N)O1,0.2885 OC1CCC1=O,0.2226 C1CC12CC(=CN2)C=O,0.1743 C1OC2CC1C=C2,0.2466 CCOC(=O)C#CC,0.234 FC1=CNC(=N)N=C1,0.1464 COC(C#C)C(C)C#C,0.2884 NC1CCC1(N)C#N,0.2731 CC1=[NH+]C(CN1)C([O-])=O,0.1506 C1CN=C(OC1)NC=O,0.2355 N=C1NN=NC=C1C#C,0.1461 C#CCOc1cnoc1,0.2269 c1c2n(nc1O)CC=C2,0.1796 C1C2C3C4COC13C24,0.3191 CCCC#CC#C,0.2314 O=C1C2C3C(C#N)N2C13,0.2264 CC1(CC(=O)N1)C=O,0.217 CCc1cncnc1N,0.2157 CC1C2CC3=CCC1C23,0.216 COC=NC(C)C#CC,0.2663 CC1(C)CN2CC12,0.3104 C#CC1CC=C2CCC12,0.2442 COC1(CCC1)C#C,0.2888 CC1(N)C=CCOC1=O,0.2444 O=CCC1(CCO1)C=O,0.2045 N#CCN1C2C3CC1C23,0.2567 CC1C2C3N1C3(C)C2C,0.3187 OCC12NCC1(O)C2O,0.2645 CC1(C)C2(O)CC1(O)C2,0.3105 CC12CC3(C)C1COC23,0.322 CN=CNc1[nH]ncn1,0.2165 COC12CCC1C2(C)C,0.3104 CC1(O)C[NH2+]C1C([O-])=O,0.2626 COC1CC(=O)C=C1,0.1901 N#CC12CC3C1CC23,0.3191 OCC1CCOC1,0.3234 O=CC12C3CC1C=CC23,0.2091 CC1(C)OC1C1CCO1,0.3205 OC(CC#C)C#N,0.2835 OC1CC1OCCC#N,0.2696 C(=O)c1[nH]c(c(n1)N)N,0.1554 FC(F)(F)C1CN1,0.3538 [O-]C(=O)C1=CNC(=[NH2+])N1,0.1749 CC12CN1CCOC2,0.3068 OC1C(O)C1C#CC=O,0.1934 CC1CN1C1=NC=NO1,0.2364 CCn1cc(nc1O)O,0.2373 C1COC(=O)NC(=O)N1,0.2735 CC1N2CC2(C#C)C1=O,0.2129 CCC1C(C)C1C(C)O,0.3257 CCOC1CCCCO1,0.3373 CCC12OCC1C2C=O,0.213 Cc1cc(n[nH]1)NC,0.2217 OC(COC=O)CC#C,0.2848 OCC(=O)NCC1CO1,0.275 CC1(CCO)NC1C#N,0.2861 c1c2c([nH]n1)CCO2,0.2205 CC1C2OCC2C1(C)C,0.3142 C1CC23C1CC1C2CC31,0.3493 CCC#CC1CC2NC12,0.2801 O=CC1OC2CCC=C12,0.2089 CC1CC23CCCC12N3,0.305 CN1CC(C)(C#N)C1=O,0.2689 Cc1coc(nc1=O)C,0.2078 CC1=CCC(O)C(=O)C1,0.2128 CCC1CCC1C(C)C,0.356 CC(C#N)C(C)C1CC1,0.3231 C(=N)N(C=N)C(=O)C#N,0.2005 CCc1cc(oc1)CC,0.234 CC([NH3+])C1=COC([O-])=N1,0.236 CC1(O)CC=CC1O,0.2496 CN(C)C(=O)NCC#C,0.2706 CC1NC1(C)C(O)C#C,0.2615 CN(C)C1COC1C=O,0.196 CC(C)C(=O)C(=O)N,0.1759 CCC(C#N)C(F)(F)F,0.3524 N=C1NC=CN=C1C=O,0.1339 NC(C#N)C1=NON=C1,0.2212 CCN1CC1COC=O,0.2331 C1CN2C(=C1)CCC2=O,0.2182 C#CCC1OCCC=C1,0.261 OCC1(C=O)C2CN1C2,0.2118 CC(C=O)C12CCC1N2,0.223 Cc1cnc([nH]1)NC=O,0.193 C1C2CCN=C3OCC123,0.2632 C1C2OC2C2=NC=CN12,0.2308 OCCC1C2CC1C2,0.3433 C(=O)c1noc(=O)o1,0.1924 CN(C=O)C1C2COC12,0.2632 CC1C2COC2C11CN1,0.2978 C1OC2C3OC3CCC12,0.3111 CCCC1(O)CCC1=O,0.2177 O=C1C2NC3C2NC13,0.197 OCCCC12CC1OC2,0.3036 CC1CC2(CO2)C1=O,0.2034 O=CC1C2NC3C2OC13,0.2269 c1ncnc(n1)C#N,0.1995 OCCC(=O)C(O)CO,0.2243 CN1CC1CCCC#C,0.2785 C#CCCC(=O)CC#C,0.2288 CC1CCC2N=COC12,0.2702 O=C1OC2CCNC12,0.248 Cc1cnoc1NC,0.2179 c1c2n(c(n1)O)CCC2,0.2478 OCC1(CC(=O)O1)C=O,0.2147 N#CC12NCC1C1NC21,0.2388 CCC1CC(=O)N1C=N,0.2283 N=C1CN(C=O)C(=O)N1,0.2357 CC1CC2CC(CO1)O2,0.3203 C1C2N1CC1=C2NN=N1,0.2239 CC1OC(=O)C1(O)CO,0.2562 N=C1NC(=N)N=CC=N1,0.1376 CN1C=CC(C)(O)C1=O,0.1986 CCCC1CNC(=O)O1,0.314 CN=C1NCCC(=O)N1,0.2181 CC1(CN1CC#N)C=O,0.2206 OC12C(NC1=N)C2C#C,0.2427 CC12OC(CC1=O)C2O,0.2111 CC1C(OC1=N)C1CO1,0.2909 OC1CNC2(CC2)C1=O,0.2006 CC1CC1(O)C(N)=O,0.2677 CC1NC(=O)N2CCC12,0.2896 N#CC1NC2COC1C2,0.2825 c1cnc(=O)oc1,0.1844 CC1C2CCC1(O)C2O,0.3115 c1cnc(c(=O)nc1)O,0.1763 CC1C2N3CC2(O)C13C,0.3082 CC1C2CC(C#N)C12C,0.2958 C1C=C2C3C4C2C1N34,0.1621 C1C2C1N1CC3C1CN23,0.2746 OC1C2NC1C2C#N,0.2851 CC1C(C=O)C11CCC1,0.2235 CC(=O)C1OCCO1,0.2178 CC1C(C)C11OCC1C,0.2947 CC1(O)CC11CC(O)C1,0.3173 c1nc(c(o1)N)C(=O)N,0.2118 CC1C=C2CC3C1C23C,0.1779 C#CC#CC#CC#N,0.1661 c1c(=O)c(c[nH]c1N)N,0.1852 CC1=C(C(=O)N(C1)C)C,0.2173 CC(C)C1CCC11CO1,0.3296 OC1C2CC1(N2)C#C,0.265 CC1(C)C2CC(O)C12C,0.3146 CCC(=O)C(=N)NC,0.187 C#CC1(CC1)NCC#N,0.2566 CC1CC=C(CO)CO1,0.2621 CC12CC(=O)C3CC1C23,0.2238 N=C1NC(=O)OC=N1,0.2173 CCN(C)c1cc[nH]n1,0.2166 N=C1C=CC=NOC1=O,0.1756 CC(O)C(C)(O)CC=O,0.2204 O=C1C2CC2C2NC12,0.2031 CCNCc1ncco1,0.2316 OCC(=O)C1C2CC1O2,0.2074 CC1C2C(O)C2(O)C1C,0.3005 CC1=CC(OCC1)C#N,0.2594 CCOC1CC2CN2C1,0.3015 O=CC1C2CC(=O)C1O2,0.193 NCC1(CCCN1)C#N,0.276 CCC1(CO)CC1OC,0.299 OC1CC=CC2COC12,0.2537 OCC12CC3C=CC1C23,0.2343 CC1CC2(CC2)C2OC12,0.346 CC1OC(=O)C1(O)C#C,0.2441 CN(CC#N)CC(=O)N,0.2496 C#CC1=CC(=O)COC1,0.1605 CC(=O)N1CC2(C1)CC2,0.2667 [NH3+]CCC(C#C)C([O-])=O,0.2734 N=COCC1NC1C=O,0.2218 CC#CC(=O)C#CCO,0.1898 c1c(onc1O)CN,0.2441 OC1CCC(CC=O)C1,0.2277 CC1C(NC=O)C1C#C,0.2663 CC(C=O)(C=O)C#C,0.2075 c1cc(c(c(c1)O)N)N,0.2116 C1C2C1C1OC1C1OC21,0.3284 CC#CCC1CCC1O,0.3016 COC1CN(C1)CC#C,0.2599 C(=N)(C(=O)NC(=N)N)N,0.1801 c1coc2c1CC=CC2,0.2307 OC1CC11OCC1C=O,0.2062 CCC1CCC11CC1O,0.3256 CC12CC(C1)N(C2)C=O,0.2708 CC1=CCCC1,0.2608 C#CCOCCC#N,0.2891 CC1CC2(CO)CC12,0.322 O=CC1C2COC1C=C2,0.2157 CC1CNC1C(=O)C#N,0.1656 NC1=NCC2NC2C1=O,0.1759 CN=C1OCOC1CO,0.2732 c1c([nH]c(=O)c(n1)N)N,0.1598 CCN(C)c1[nH]ncn1,0.2415 CC1C(O)CN(C)C1=O,0.2719 CCC1CC(C)(O)C1O,0.3025 OC1C2CCC1N2C=O,0.2607 Cc1c(cn[nH]1)CC#N,0.2555 C(CC=O)CC(=O)CO,0.2213 c1c(nc(o1)CN)O,0.2204 COCCC(O)C#N,0.2749 CC12C=CCC1C2C=O,0.2111 OC1=NC(=N)N=NN1,0.1814 CC1OC1C1CC(C)C1,0.3372 O=C1C=CC2N3CC12C3,0.1549 C1CC12CN=C(C2=O)N,0.1865 CC#CC(C=O)C1CN1,0.2151 OC12CCC1(O)C1NC21,0.2916 CC1NC(C#C)C1=O,0.2118 CC1(CO1)C(=O)C=O,0.149 CC(CC=O)OC=O,0.2245 CCC12CC1CC(C)O2,0.3119 CN(C)C(=O)C#CC#C,0.192 c1c2c(noc2on1)N,0.2265 OC12CCC3CC1OC23,0.3274 CC1(O)C2CC=CC12C,0.2439 COC1CC2C(C)CC12,0.3201 CC1C2C3C4N2C1C34O,0.2854 NC(=O)C1OC1CC#N,0.2582 CC#CC1(O)CC1C,0.2686 CC(C)OC(=O)C(C)N,0.2501 c1cnn2c1C=CC2,0.1901 CC12OC(C1O)C2=NO,0.2504 C1CC11OCC11CCO1,0.2958 OC12CC1C1(CO1)C2,0.3287 CC(C)CN(C)C=O,0.2716 CCC(O)C#CCC#N,0.2855 CC12C3C4C1C2(O)CN34,0.2863 COC1OCCCC1=O,0.2128 CC1C2OC=NC12C=O,0.2168 CC#CCNC(=O)C=O,0.1728 NC1=CC(=O)NC1C#C,0.2202 CC1OC2CCC12C#C,0.2753 CC(CO)C(C)CO,0.3347 CC12C3CN1C3C21CO1,0.3089 CC1CNC1=O,0.2825 Cn1cc(nn1)C#N,0.242 CC1C2CC1(C)C(C)O2,0.3109 OC12CC1C1CN1C2,0.2917 CCC1CC(O)C1C=O,0.2227 N#CC12CCC1C1CN21,0.2563 CC1CC2CC2C1CO,0.3343 C1CC1C12NC1CC=C2,0.2379 CC1OC=NC1(C)C=O,0.2147 CCNC(=N)C(=O)C=O,0.1113 CC1OC2CC3(C)C2C13,0.3245 N=C1CCC(CC#C)O1,0.2824 CC1CCOC(=O)C1,0.2719 CC1=CCCCC1,0.2614 N=C1CN2CC2CO1,0.261 C1COCCOC=N1,0.2583 c1nc2c(o1)nno2,0.1919 CCOC1CC2NC12,0.3076 C#Cc1c(cn[nH]1)N,0.1877 Cc1c(c(n[nH]1)C)N,0.2328 CC12CC34C=CC(C13)C24,0.2202 CC#CC(=N)NC(=O)C,0.2164 CC1CC1C1COC1C,0.3233 CC(=O)C1CC2(CO2)C1,0.2316 CC1C2C1C1(C)COC21,0.3068 CN1C2CC1C2=NO,0.2517 CC1(COC1C=O)C=O,0.2082 OC1C2CC3C(C2)C13O,0.3005 C(C#CC(=O)N)O,0.2366 CCC1CCNC(=O)O1,0.3071 C#CC1(CC2CN12)C#C,0.2483 OCC1C2CC=CC1O2,0.2348 OC1CC2(O)CC12O,0.2938 CCC12CC3C(C1)C3C2,0.3415 CCCC(C)OC,0.3341 CC12C3CC(CC13)C2=O,0.2256 C1CC1C1COCC=C1,0.2645 CC1(C)CC1(O)C=O,0.2173 CC1CCOC1CC=O,0.2238 CC(=N)N(CCO)C=O,0.2209 OCC1CC2C3CC3C12,0.3085 C1CC23OC(C=C2)C3O1,0.2309 CCNC(COC)C#N,0.2671 COC1CC1([NH3+])C([O-])=O,0.2676 COC1CC2C(C)C12O,0.3284 CC(C)C(C)(CO)C#C,0.3114 CC1CC(C1C)C(N)=O,0.2709 C1CC23CC=CC2OC13,0.2468 O=C1C2NC=NC1C=C2,0.2013 c1c(c([nH]c1N)O)C#N,0.2098 Cc1c(cnc(n1)F)N,0.1855 CNC1C2NC2(C)C1=O,0.1992 CN(C)c1n[nH]nn1,0.198 CN1CCC1(C#N)C#N,0.2349 c1cn2c(c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c1c([nH]c(=O)o1)N,0.2388 CC#CC(=O)CC1CC1,0.2013 CCCC1(CC=O)CO1,0.2229 C(=O)C(C=O)(C=O)C=O,0.1946 CC(C)C1C2C3CC1C23,0.326 c1coc(c1C#N)CO,0.2161 CC1C2CC3CC3(O)C12,0.3226 O=CC12CCC1C1OC21,0.2172 OCC1C(O)CC11CN1,0.2919 CC1=CC2OC1C2C#C,0.2268 Cn1c(noc1=O)C=O,0.1682 Cc1[nH]c(=O)ccn1,0.1957 CCC1(C)CC(O1)C#N,0.2791 c1(c(nc([nH]1)O)N)N,0.2337 CC1C2CN2C11COC1,0.306 C#CC1COCCO1,0.2696 COC(C#C)C1NC1C,0.2781 CC1CC(C=O)C1C=O,0.2043 OCC1=CC(=N)OCC1,0.2139 NC1(CC2CN2C1)C#N,0.264 CCCC(=O)OC,0.2869 C1OC11CCCCOC1,0.3148 C#CCC1CC1N1CC1,0.2977 CN=c1cc[nH]nc1N,0.1709 N#CCCOCC1CN1,0.2859 CC1C2OC2CC1C=O,0.2246 CC12CC1C1(C)CC1C2,0.321 C(C1CN1)C1=CN=CO1,0.2422 O=C1C2OC3C2CCC13,0.2086 CC12CCC(C1)CC=C2,0.2615 Cc1c(nccn1)N,0.1894 CCC1CC2(CC2)C=C1,0.2448 C1CC=CCC(=NO)C1,0.2432 CC1CC11CC2NC12,0.306 CCC#CCCC(=O)N,0.2682 OCC(CC1CO1)C#N,0.3055 N#CC12CC1N1CC21,0.2515 C1CCC(C1)CCCO,0.342 COc1cc(ncn1)N,0.2231 COC(CO)CC#N,0.3048 CC1=C(F)N=NNC1=N,0.1627 CC1OC11CNC(=O)C1,0.2747 CC1(O)C(O)C1C1CC1,0.297 C1OC23CC(C4NC24)C13,0.2863 CC1(C)OCCC1C#C,0.2918 CCCc1c(c[nH]n1)N,0.2262 CC12OC1C=CC2O,0.2379 CCN1CC1C#CCO,0.2482 C#CC1C2CC1C1OC21,0.2971 OC12CC(C1)N=COC2,0.2686 ON=C1CN=CN2CC12,0.2288 CC1(CC(C1)N2CC2)C,0.3107 CC1OCOCC11CO1,0.3293 CC12CN1CC1NC21,0.2922 CC1(C=O)C2OC1C=C2,0.2153 CC1C(=O)CC11CN1C,0.2097 CN(C=N)c1ccon1,0.2062 CCC12NC3C1NC23,0.2873 O=C1CC2CCC1C2,0.2228 c1cnoc1OCCO,0.2378 COC12CC1N1CC21C,0.2856 OC1(COC=N)COC1,0.2627 CCC1CC1(CC)C=O,0.2261 CCC1(C)CCC1=O,0.2163 CC(O)C#CCCC#C,0.2859 N=C1ON=C(O1)C1CC1,0.2356 OCC1(O)CC11CCC1,0.2969 COC1CCC=C1C,0.2597 CC12NC1C(O)CC2=O,0.2186 NC1=NNC=C(O)C1=N,0.1628 CCC1(C)OCOC1C,0.3236 c1nc(on1)CCCO,0.2536 C#Cc1ncno1,0.2143 CC1C=CC2OC(=O)C12,0.2575 CC12CC1C=CC2O,0.2394 COC(=O)NC(C)C#N,0.2952 CN1C2CCCC2C1=O,0.2757 CCC1CC(C)(O)C1C,0.3202 CC12OC(=N)C1(C)C2O,0.2674 CC1C2CC1C2(C)C=O,0.2227 NC1=[NH+]CC(N1)C([O-])=O,0.2534 CC(C)CNC(=N)C=O,0.1662 CC(=N)OCC1COC1,0.2753 OC1CCC1OC=N,0.2708 COC1C2COC(=N)C12,0.2696 CC12NC1C=C1COC21,0.2269 OCCC1(CCO1)C#N,0.2775 CCCC1C2C3CC1N23,0.3123 CC1(C)CC(O)C(O)C1,0.2957 Cc1ccc(c(n1)O)F,0.206 OC12CCC3CC1C23O,0.282 OCC1(CC1O)C#N,0.2735 CC12CC(O1)C(=O)CC2,0.2097 CCC(C)OC(=O)CO,0.2746 CNC(=O)NC(=N)C#C,0.1993 CCC1=CC(=O)OC1,0.226 NC1=NOC(=N)N=C1,0.1473 CC(C)(C)n1cncn1,0.2725 Cc1c(c(c[nH]1)N)C#N,0.197 C1CC11C=C2CN3C2C13,0.1656 [NH3+]CC1=N[N-]N=CC1=O,0.1978 N=COC(=O)CC=O,0.224 OC1C2CC3OC1C23O,0.2996 NC(=O)C#CC(O)C#N,0.2298 CC12CN=CN1C2CO,0.2368 C1CCC(CC1)CCO,0.3406 CC1N=C(N)OC1C#N,0.2468 CC(CC#C)OC1CC1,0.302 C1C2CC3CC2C1O3,0.3241 CN=COC(C)C#N,0.2686 OC12CCC3C1OC23,0.3073 CC1CC=CCC(C)O1,0.2523 C1CC23CC(OC=N2)C13,0.2399 CC1CCC(=O)C2CC12,0.2257 C1CC=C(C(=O)C1)C#N,0.182 CC12COC(CCC1)O2,0.3263 OC1CC1C1=NON=N1,0.1853 CC12CC3(CC1C23)C=O,0.2191 CNC1(CC1C#C)C#N,0.2401 CC1CCC2C(O)C12O,0.3081 C#Cc1cc(=O)cc[nH]1,0.1729 CC12CN1C1C2NC1=O,0.2507 CC(=O)COCC#N,0.2352 CCCC#CCCO,0.3003 CC1C2C(C#N)C2C1C,0.3112 CC(C=O)C1=NC=CN1,0.1958 OCC12C3CC1C(=O)N23,0.2511 CC12OCC1(N)C2C#N,0.2658 O=C1NC2CC3C2N13,0.2667 CCC#CC(CC)OC,0.2939 Cc1cncn1CC#N,0.2286 c1c(c(c(o1)N)CO)N,0.2116 CN=C(c1cnco1)N,0.203 C1C2OCC3N=COC123,0.2527 O=CNCC#CC1CO1,0.2603 c1c(=O)nnoc(=O)n1,0.1587 CC#CCC1C2CC1O2,0.2907 CN=CN(C)C(=N)OC,0.2322 OCC1OC(=N)N2CC12,0.2844 C1C2CN3N=CN=C3N12,0.2515 C1C2OC3C4COC12C34,0.3056 CCCC1OC=NC1C,0.2692 CC1(CC#N)NCC1=O,0.2113 C#Cc1c[nH]c(n1)C=O,0.171 OC1C2NC=NC12C#N,0.2399 OC1C=CC2C3CN3C12,0.2295 COC1(COC1)C(=O)N,0.2586 CCOC(=O)CC1CO1,0.2828 N=C1OC=NC(=N)C=N1,0.1862 O=C1CC2CCC(C2)O1,0.2716 CC12OC1CNCC2=O,0.1942 c1ccc(c(c1)CO)F,0.2336 CC1=NC(N)=CC(=N)O1,0.1729 [NH3+]CC1=COC([O-])=C1,0.2285 OC12CCC3C4C1N4C23,0.3017 C1CC(=O)C(=C1N)C=O,0.1761 OC1C2C3CC2C13,0.323 CC1C2C(O)C3(CC3)N12,0.294 CC12CN3C1C1OC1C23,0.293 OC(C#C)C(C=O)C#N,0.2203 OC1CC2CC1CC2=O,0.2234 OCC1C=CC(=O)C1=O,0.1397 C1C2CC1C1=CN=CN21,0.2447 CC1(N)C2COC12C#N,0.2489 OC1CCC2(O)CC2C1,0.3219 CC#CC(C)C1COC1,0.2976 CN=C1C(=O)C=CN1C,0.142 Cc1c([nH]c(n1)C#C)O,0.1881 CCCC1OC1CC#C,0.31 c1c(ocn1)OC(=O)N,0.2445 CCC1(O)C2COCC12,0.3131 OCC1CC=CCO1,0.2676 CC1=C2NC3C2C3C1=O,0.149 Cc1c(nn[nH]1)C,0.2436 CCC1(C)CC=CC1O,0.2602 CCCCc1cnco1,0.2419 CC1OC2(C)CC=CC12,0.2582 CN1C(=N)OC=C1CO,0.2174 OC1C2CC3CC2C1O3,0.3158 OC1CC2OC3C2CC13,0.3124 CC#CC(O)C(C)CO,0.2873 CCC(C)COCC#N,0.2923 NC(=O)C1OCC1C=O,0.1891 CC(CO)C(=O)C1CO1,0.2193 CC12C3OC1CCC23O,0.2836 c1cc2ncccn2c1,0.1569 CC12CC3(C)CCN1C23,0.3159 O=C1CC=CC2CCC12,0.2163 CCN1CCC1=O,0.2791 CC1COCCC2OC12,0.3302 CC1(CN1)C1=NCCO1,0.2625 C(C#CCO)O,0.2807 CC1C(O)C(O)C1C#C,0.2824 C1C2N=C3OCC=C3C12,0.2 C1C2OC3CCCC12O3,0.3183 C1CC(=O)C=C1CC=O,0.1788 NC12CC1OC2=N,0.2629 CC1CC(C1)=NO,0.2496 N=C1NCC2=C1ON=C2,0.1976 C#CCCC1CC1C#C,0.2898 NC1=CN=C(N1)OC=N,0.2097 O=C1C2C3CC1OCC23,0.2113 C1C2NC3C1OC23,0.3034 NC1C2CNC12C#N,0.2328 OCC(O)C(O)C#C,0.2895 CC(=O)C#CCO,0.2092 c1c(nc(n1C=O)N)N,0.1589 c1c(c(nc(=O)o1)F)F,0.1855 NC(=O)C(C=O)C1CN1,0.1996 c1(nc(=O)[nH]nn1)N,0.173 CC1CCC1C(C)=NO,0.2524 CC1C2C3C4C(CN14)N23,0.2712 CC(C)C(C)(C)C1CC1,0.3471 OC12C=CC3C(C=C1)C23,0.2373 CN(C)CC1(CC1)C#N,0.2608 Cc1c(ocnc1=O)N,0.1979 COC(=O)C(=O)CCO,0.1823 OC1C2CC1N2CC#C,0.2684 O=C1CC2C3CC2C3C1,0.2203 N#CC12CC1OCOC2,0.2953 CC(C=O)C1(CO1)C=O,0.2186 Cc1cc([nH]c1C#N)C,0.2032 CC1(C)OCOC1=N,0.2895 CCn1c(c(cn1)O)O,0.239 CC(OC=N)C=O,0.2245 C#CC1CC1C#N,0.2756 COC1C(C)COC1=O,0.2491 CCC[NH+](C)CC([O-])=O,0.2639 CNc1c[nH]cnc1=O,0.1839 CC12CC1CCNC2=O,0.2611 CC1C2C3CC3(C)CN12,0.3027 CC1(C=C(CO1)C=O)C,0.1826 C(C(=O)CO)C(=O)N,0.2167 CC12OC1C(CO)C2=O,0.2112 CCCCCCN1CC1,0.3185 CNC1(C#C)C2CC1O2,0.2681 CN1C2CC1C(=O)C2=O,0.144 CC1CC11CCCCO1,0.324 C1CC12COCOC=N2,0.2561 COC(CO)CC#C,0.2963 OC12CC3C(C13)C21CN1,0.2871 COC1C2C(C)CC12C,0.3165 c1cc(=O)[nH]ccc1=O,0.1675 CC(C)C#CCC1CO1,0.2968 O=C1C2C3C4NC1C4N23,0.2046 CN(C=O)c1ncon1,0.224 OC12C3C=CN(C13)C2=N,0.2112 c1cocc(c1=O)F,0.2017 COCC1OC2CC2O1,0.3188 c1nnn(n1)CC#N,0.2596 CC1C2C3N2C(=O)C13C,0.2482 O=CC1OCC=C1C#N,0.1844 OC1CC(O)C1NC=O,0.2723 Cc1c2c(n[nH]1)CCO2,0.2199 c1noc(=O)n1C(=N)N,0.2356 O=C1NCCC(O1)C#C,0.2743 c1[nH]nc(n1)OCCO,0.249 C#CC1NC1(C#C)C#N,0.2434 CC1CC(CC(N)=O)C1,0.2778 CC1=CCC(CO)OC1,0.2621 CCC1(CN=CO1)C#C,0.2702 CC(C)N=C1COCO1,0.275 COC(CC1CO1)C=O,0.2129 CC12C3CC1C(=O)NC23,0.2577 Cc1cnc(nn1)OC,0.1665 COC1CNC1(C)C#N,0.2678 C1C23COC12CCOC3,0.2966 CC1OC2CC1C21CO1,0.3142 CC(C)(C)COC1CC1,0.3229 CC1(C)CN2CC1(O)C2,0.2853 CCC1C=CCOC1=O,0.2594 CNc1ccoc(=O)c1,0.1862 CCCc1nnon1,0.2456 Cc1c(ncc(n1)N)N,0.1638 NC1=CC(=N)N=C(F)N1,0.2072 CC1[NH2+]C(C1C)C([O-])=O,0.2646 CC1OCOCC(C)=C1,0.2551 O=C1OC2CC1C2C#N,0.2621 CC1CC(C)C1CC#C,0.3129 CC12NC1C1CCC21C,0.2964 O=C1CNC2CN(C2)C1,0.19 OC1CC2CN=COC12,0.2734 CC12C=CCC3OC1C23,0.2365 C1C2C3C4CC2C1C34,0.3559 OCCC12CC(C1)CO2,0.3185 O=CN1CC2CC1C=C2,0.2323 CCCC1C2CC1(C)O2,0.3125 C(CC(=O)N)C#N,0.2794 CC1CC(=O)C(C)C1O,0.2223 OCC1C2C(CN12)C#N,0.2764 COC1C2CC1(O)C2O,0.3165 CCCC(C)NC(N)=O,0.3003 CCCC1CC2CC1O2,0.3329 CC(=O)c1ccccn1,0.1803 CC([NH3+])C1=NOC([O-])=N1,0.1869 O=COC1CCC1C#C,0.2695 c1c(nc(o1)C(=O)N)N,0.176 C#CC1OC2COCC12,0.2672 CNC(C)=[NH+]CC([O-])=O,0.2505 NC(=NCC1CN1)C#N,0.2205 CCNC1=CC(=O)NC1,0.2157 CCOCC12CCC1N2,0.3361 CC1=NC(CO)C(=N)N1,0.2271 CC1=C(CCCN1)C=O,0.1838 CC1CCC(C1)C(C)=O,0.2335 OC1CC11CC2CC12,0.3043 CC#CC12CC1(C)CO2,0.2403 CCC1C(=O)CC11CN1,0.2134 OC(CC#CC=O)C#N,0.2037 CCC1OCC2OCC12,0.3244 C1C2CC3CC(C3)C12,0.3368 OCC1CC2OC12C#C,0.2627 O=COC(C=O)C#C,0.2191 CN1N=CN=C(O)C1=N,0.1623 CC1CC(=O)C11CC1O,0.2167 COC12CN=C3NC1C23,0.1778 CC1N2C=NCC2C1=O,0.2035 CCC1C(O)C1(O)C#C,0.2512 C#CC1(CC=CC1)C#C,0.2641 CC12CC(C1)OC(=N)O2,0.2936 NC(C#N)C1=CC=NO1,0.2325 CCN1C=NCC1=O,0.2286 CC1CN1CC1(C)CO1,0.3106 c1cncc(c1O)C#N,0.2116 C#CC1CCC=CC=C1,0.1921 OC1CN2CC2C(=O)C1,0.2143 C#CCOC1C2CC1O2,0.2675 CC12OC(=O)C3CC1C23,0.2695 Cc1cnoc1C2CC2,0.2266 CN1CC11C2CC1OC2,0.3077 C#Cc1c(cno1)N,0.1786 C1CC2C3OC(C1)C23,0.3084 c1coc2c1c(no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c1cc(ncc1F)C,0.2196 OCC1(CO1)C1CO1,0.3354 c1cc(cc(c1)F)C#N,0.2083 CC(=O)C12NC1C1OC21,0.2014 N1C=NC23C1C1C2OC31,0.2364 COC1C2CC2(C)C1O,0.3154 CCN(C)C(C#N)C#N,0.2348 OC1CC11C2NC2C1=O,0.2165 N=C1COCC(O1)C#N,0.2694 C1C=CC2CC=CCC12,0.2596 CC(C=O)N1CCC1,0.2039 CC1(C)C2CC=CC12O,0.238 CC(O)C1(CO1)C=O,0.2176 OCC(COC=N)C#C,0.2643 c1c(cncc1F)N,0.1992 CC1OCC1CC1CC1,0.325 CCCN1CC1C#CC,0.2611 CC12CC3C4C1C4C23C,0.3173 O=C1C=CCC2COC12,0.1741 CCC(=O)C#C,0.2087 c1cc(oc1)CNC=O,0.2333 O=C1CN2C3C4OC13C24,0.1972 NC1=NOC(F)=CC1=N,0.189 CCC12CC(N1)C2=O,0.2468 O=C1OC2CC1C1CC21,0.2698 CC(O)(CO)CC1CO1,0.315 O=C1CCC1C#CC#C,0.2009 Cn1cnc(n1)CC#N,0.2669 CC(O)C1CN(C)C1=O,0.2747 CC1(C)CCCC1C=O,0.2245 OC12C3OC1C3NC2=O,0.238 N#CC1CC=CC11CC1,0.2482 CN=C(C1CC1)NC=O,0.2221 c1nc2c(o1)C(=O)NC2,0.2191 O=C1NCCC2CC1C2,0.2568 C(C#CC1CC1)C1CN1,0.2792 CC1CC2(CCO2)C1=O,0.196 O=CN1CC1C(=O)C=O,0.1429 CCN1CC2OCC12C,0.2765 CC1(CO)CC1(N)C#N,0.2756 COC12CC=C3CC1C23,0.1826 C1OC1C1CC2OC2C1,0.3468 CC1CCC(C#C)C1=O,0.2149 c1c(c(c[nH]1)N)N,0.2348 C1C2C3CC4OC(C23)C14,0.3159 Cc1cccc(=O)nc1,0.1712 O=CC12CC(C1)(N2)C#C,0.2125 CC1C(O)C2CC12CO,0.3125 CCC1(C)CC1(O)C=O,0.2171 CC1=CC2OC1C2C#N,0.2261 CC12CC1C(=O)C2C#N,0.23 CC1C(=O)NC=C1C,0.2098 CC1(C)NC1(C)C=O,0.2138 C#CCC12CC1CCC2,0.3105 CC#CC12CC(C)C1N2,0.2692 OCC12CC(=O)CC1N2,0.2223 CC1NC1C1=NC=CN1,0.2417 CNC1C(CO)OC1=N,0.2517 c1c[nH]c(=O)ncc1=O,0.1616 C1C(=O)C(N1)(C#N)C#N,0.2168 CC1=C(C(=O)NC1)C=O,0.1701 CN1C2C=CC1C21CN1,0.2197 CCC12CC1C(C)OC2,0.3344 CC(=O)C(C)(C)C#C,0.2283 ON=C1CC(O)(C1)C#N,0.2433 CC1(C=CCOC1=O)C,0.2648 CC#CCC#CCC#N,0.2721 COC=NCCOC=N,0.2587 CC1CCC(=C1)C#N,0.2196 CN(C1CCC1)C(=O)N,0.2876 CCC1=CCOC12CC2,0.2257 CC(CCOC=O)C#C,0.2765 CCC(=O)OCC#N,0.2866 CC1OCC=C(C)C1C,0.2615 C1C2(CN1CC=O)CO2,0.2043 N=C1CNC2CC2CO1,0.26 CC1COC(CC=O)O1,0.2291 CC12NC1COC21CC1,0.2924 CNc1cccnc1,0.1912 CC1=NC2CC2(C)CO1,0.2489 CC(C)(C)CCC#C,0.3144 CN1CC2(C)CN2C1=O,0.2767 OCC#CC1CCC1O,0.2725 OCC(C1CN1)C1CO1,0.3058 C1CC1CN=CNC=O,0.2319 CCN1CC1C(=O)CO,0.2027 CC#CC1NC11COC1,0.2695 NCC1(CO1)C#N,0.2636 CC(O)C1CC1NC=O,0.2762 CCC(C)CC(C)=NO,0.2549 CCc1cnc(cn1)C,0.1953 OC1C2OC3COC1C23,0.3019 O=C1CCCOC1C#N,0.2073 OCC12OC1CC2C#C,0.2938 Cc1ccc([nH]1)CCO,0.2342 C#CC1(CC1)C2CCC2,0.2932 c1c([nH]cn1)C2COC2,0.2455 CCC(CC)NCC#N,0.2653 CC12COC1C2C#C,0.2781 CCCC1CC(C)C=C1,0.2612 CC(O)C1CC1OC=N,0.2809 N=C1OC(=O)NC2CC12,0.259 CNC(=[NH2+])C#CC([O-])=O,0.1249 CCn1cc(c(c1)N)N,0.2259 CC1=CC2CC(O)C1O2,0.2517 CC1C2CC3OC1CC23,0.3213 CCC(=O)C(=O)C(C)C,0.1555 CC1C=C2C3C4C3C2C14,0.1626 CC12COC(O1)C=C2,0.2457 CCOC(=N)C1(C)CO1,0.2726 Cc1c2c([nH]n1)nno2,0.1948 c1cc(nc(c1N)N)O,0.1842 CCCC1C2OC1C2=O,0.2458 CCC#CC12CN1CC2,0.2502 CC1=CCC(C1)NC=O,0.2608 COC(C)COC(C)=N,0.2864 N#CC1CC(O1)C1CN1,0.2496 N=C1CC2OCC2CO1,0.2767 C1OC2C3C4C2C1N34,0.3154 CCc1cncc(n1)C,0.1954 OC1C2NC1C2CC#N,0.2939 CCC(C)(CC)C(=O)C,0.2275 C#CC12CC(C1)CC2,0.3011 CC12COC11CC2CC1,0.293 CC1OCC(=O)OC1C,0.2631 c1c2c([nH]cn2)ncn1,0.2045 CC1(CC1)C(C)(C)O,0.3251 CCNc1cnoc1C,0.201 CC12OC3CC1C23CO,0.2801 CC(C)C1(C)CC1(C)O,0.3153 OC12CC1NC2C=O,0.2006 OC12CC3C1C1CN3C21,0.2866 CCC1CCCC1C=O,0.2258 CC12CC3C4CC4C1N23,0.2988 CC(=O)OC(CO)C#N,0.2783 C1CCN(C=CC1)C=O,0.2177 CC1CN(C1C)C(N)=O,0.289 CC1(O)C2COC(=O)C12,0.2685 CC12OC3C1C=CC23C,0.2239 CCOC(C#N)C#N,0.2766 C#Cc1ncon1,0.2249 Cc1ccc[nH]1,0.243 CC(C)CC(C)C(C)C,0.372 Cc1c(c(oc1C)C)C,0.2273 OC1CC2(CN2)C2OC12,0.3059 C#CCc1c[nH]cn1,0.2533 O=C1CC2OCOCC12,0.2225 C#Cc1cccc(c1)F,0.2007 O=CNC1=NCC2NC12,0.2194 CC12C3CC3N1CC2O,0.2742 O=C1OCC11OC1C#C,0.2497 OC12C3C1C1OCC3C21,0.3027 OC1C2NC2C=CC1=O,0.1871 CC1=NCC(=N)N1,0.2301 CC1C2OC3CC3C12C,0.3182 CC1C=CC2C1OC2=O,0.2466 CC1CN1C1CCC1C,0.2989 C1CC1C(=O)NC=O,0.2192 CC(C)C(=O)NC1CC1,0.2703 OC12CCC1=CCC2=O,0.2107 C1CCC2(C1)CO2,0.3329 CC12CC3CC(C1)C23O,0.3034 CCOC(=O)CC(=O)C,0.2275 CC#CC(C)COC=O,0.2645 CN1C2C3CN=C1C23O,0.1594 CC(C)(C)C(=O)CO,0.2295 C1C(=CC(=O)CN1)CO,0.1673 CC1(CNC(=O)C1)C=O,0.2113 OC1C2C1C1(CN21)C=O,0.1933 CC1CC(CO1)C=O,0.2235 OC1C2OCC3CC2C13,0.3169 CCC1C2CC3C2OC13,0.313 CC12COCC1(C)O2,0.3298 OC1CC2(CCC12)C#C,0.285 CC1COC1C1CN1,0.314 C1CN1CCC(=O)C=O,0.1443 CC12OC1CNC2C#N,0.2713 CC1CC=CC=CCO1,0.2028 CC1C2CN3CC2(O)C13,0.2909 CCC1C2C1C(O)C2O,0.3046 Cc1cc(c(=O)[nH]c1)C,0.1764 CC1(C)OC(C=C1)C#C,0.2533 CC1COC(C=O)=N1,0.1865 CC1OC1C1OC1C#N,0.2732 CCC12CC=CC1CO2,0.2603 OCC1CC2(CC2)C1O,0.3038 COC1COC1(C)C#N,0.283 CCC(O)C1OC1C,0.3246 Cn1c(noc1=O)N,0.2576 N#CC1CCCCOC1,0.3011 CC1C(O)C11COC1=N,0.2799 CC12CC(C1)C(=C2)C#N,0.1992 [NH3+]C(CC([O-])=O)C#C,0.2642 CCCCN=C(C=O)N,0.1829 C1NC1C1=CN=CN=N1,0.1662 CCc1c[nH]nc1O,0.2456 c1cnc(nc1C=O)O,0.1737 C(=Nc1c(n[nH]n1)O)N,0.1845 O=COC1CCCC=C1,0.2595 C#CCC12C3CC1OC23,0.281 COCC(C)(O)CC=O,0.2255 CC1(C)OC=NC1CO,0.2628 CC12CCCC1CCO2,0.3215 COCCC1CC(C)O1,0.3337 N#CC12CC3CC3C1O2,0.2839 C(CO)N=C(C(=O)N)N,0.2161 CC(=O)C12NC1CC=C2,0.2192 CC#CC1(CN1)C(C)C,0.2707 COCC1(C)OC1C,0.337 OCC1C2C3C2C1C3O,0.3155 CCN1CC=CC(=O)C1,0.1715 C1C2C3COC3CN12,0.3044 OCC1C2OCC(=O)C12,0.2205 N=COC1C2C3CN2C13,0.2638 C1CC23CCC2C=CC13,0.2532 CC12C(O)CC1OC2=O,0.2679 C1CNC(=O)C1=O,0.1725 CC1C2CC(O)C1CO2,0.3129 [NH3+]CC1=NC(=O)C=N[N-]1,0.183 CC[NH2+]C(C)CC([O-])=O,0.2774 O=CC12OC3CC1C23,0.2107 CC#CCOC(=O)C,0.2708 COC1(CC1)C(C)O,0.3125 CC1(CC(=O)CCO1)C,0.2243 c1[nH]nc(n1)NC=N,0.2244 CC1=CC(=O)OC1=NC,0.1913 COCC(O)CC(N)=O,0.2768 OC1CCC(=O)COC1,0.2161 CC1CC2C1CNC2=O,0.2686 c1[nH]c(c(n1)O)CCO,0.2241 CC1(COC1)C(C)(C)O,0.292 O=C(C#C)C1CNC1=O,0.1939 OC1CC=C2C=CCC12,0.1943 OC1CC2(O)CC(=O)C12,0.218 CC(=O)C1(C)CC1C#C,0.2247 C1C2C3OC4CC3C2C14,0.3232 CC1(CC1C#N)C1CO1,0.3066 CC(C)(C#CC=O)C#N,0.2036 NC(=[NH2+])C1=CC(=O)[CH-]N1,0.083 C1C2OC3CCOC3C12,0.3217 CC1CN1C(=N)NC=O,0.2271 CC1OC2C3CC1C23C,0.3122 COC(C)=NC(C)C#N,0.2738 CCC12CC1(O)CC2=O,0.2278 c1c([nH]c(n1)O)C=O,0.1815 C#Cc1cnoc1,0.2179 CC1C2OCC(=N)OC12,0.2673 COCC12OC3C1NC23,0.2967 CC#Cc1cnccn1,0.1869 CC(=O)C1(O)COC1=N,0.2157 O=CC1CN1CC#N,0.2135 [NH3+]C1CC(=O)[N-]C1C#N,0.199 CC12CCC3OC1(C)C23,0.3049 CC(CC#N)NCC=O,0.2165 CC#CC1(C)CC=CC1,0.2658 CC1C2(O)C3CN3C12C,0.2833 CC1CN(C)CC(=O)O1,0.2468 CC1(OC11COC1)C#N,0.2645 CC1C=CC2(OC12)C#N,0.2378 CC1C2NC3C2OC13C,0.3 CC1CC(C)C(O1)C=O,0.2193 Cn1cc(cc1N)CO,0.2317 COCC1OCC1=O,0.2254 N=C1OCC2=C1N=CO2,0.2234 ON=C1CC2COC1C2,0.2465 CC1=CCC(=O)CC=C1,0.2055 c1c(cn[nH]1)C#CC#N,0.1961 C1CC(=O)CC(=O)C=C1,0.179 CCCC1(CN1C)C=O,0.215 CC1(CC(=O)CO1)C#N,0.2205 ON=C1C(O)C2CC12O,0.2385 COC1CCCC1=O,0.2003 C#CC1=CCCCC1,0.2127 OCCCC12CCC1N2,0.3273 CCC1=CCC2NC12,0.2464 CCC#CC1(CC1)O,0.2715 CN1CC11CC2CC1O2,0.3128 C1CC1CC2(CC2)C=O,0.2266 OC1C2CC1C(O)C=C2,0.2439 OC1C2COC2C11CC1,0.3014 O=CC1C2C1C1CC2O1,0.2266 OCC1C2CNC(=O)N12,0.277 CC#CC1(C)CCC1=O,0.2057 CC(C)N=C1C=CCO1,0.2065 CC1=C2COC2CC1,0.2387 OC(C#C)C(=N)N1CC1,0.2561 C1CC2OCCC3C1C23,0.31 CC1C=CCCC(C)=C1,0.2505 CN1CC11CC2OC12C,0.3161 CCc1c(ocn1)C=O,0.1937 CCOC1COC1C,0.3219 OC12C3COC1C(=O)C23,0.2151 OC1C2CC11CCC1O2,0.2927 CC1(CO1)C1=NCCO1,0.2545 CC(C)C(O)C1(C)CN1,0.288 CN=C1CC2OCC2O1,0.2731 C1C(=NO)C2(N1)COC2,0.2285 CCOCC1CN1C,0.3053 O=C1NC2CC1C2,0.2598 CCC(CC)C1(CC1)O,0.2997 COCCC(O)C(N)=O,0.2699 CC1C(O)C(C)C11CN1,0.2971 CC12C3C1C1CC3C2O1,0.34 COC=NC1CC=CC1,0.256 CCCC#CC(O)CC,0.286 OCC1CCC(=O)CO1,0.2126 CNC1=NC=CC(=N)O1,0.1811 CC12CN(CC1)C2C#N,0.2547 c1nc(on1)NC2CC2,0.241 OCCC1(CCN1)C#N,0.2621 C#CC1COCC=CC1,0.2531 CCC(COC)C=O,0.2281 NC1(CO)CC1(O)C#N,0.2707 OC12CN3C(C13)C2=O,0.228 CCC1(CN1)C#CC,0.2821 C#CCC1(CC1)NC=O,0.2726 C#CC1C2NC2C2NC12,0.2826 CC1CC1(C)CC#C,0.3101 CC1C2OC1C1C(O)C21,0.3065 Cc1c(=O)[nH]cc(n1)N,0.1439 Cc1c(nc(cn1)O)O,0.189 NC(=O)C1C2NC1C2=O,0.2338 C(=O)c1c(oc(=O)[nH]1)N,0.1678 COC1CC=CC1C#N,0.2649 CC12CC3CC1COC23,0.3177 CC1OC(C)C1C#C,0.2891 CC1CN2CC(=NO)C12,0.219 CC(=O)OC1CC2NC12,0.2542 c1cnc(cc1F)C#N,0.2175 CC12NC1(C#C)C1OC21,0.2738 CC1CC2C(O1)C2C#C,0.2707 CCC(CC=O)OC=N,0.2223 OCCOC1COC1=N,0.2717 N#CCC1NCC2OC12,0.2722 COCC12CC1(O)CC2,0.2865 CC(N=CNC=O)C#C,0.2328 CCC1(CO)CNC1=O,0.2783 CC(=O)C1NC11COC1,0.2214 CNC1(CC1C#N)C#C,0.235 COC1OCCN=C1N,0.2476 CC([NH3+])(C1CC1)C([O-])=O,0.2704 COC12CC1CC(=O)C2,0.2222 CN1C2C1C1(C)CCC21,0.2964 O=CC12COC1C1OC21,0.2172 CC(=O)C1=CC2CN2C1,0.1737 c1c(n[nH]c1N(=O)=O)N,0.1399 CC1C(C)C1CC(N)=O,0.2728 CC(C)C12OC1C1NC21,0.2779 C(CC#CCCO)CO,0.3024 CC1N2CCC12C=O,0.2095 CC12CC3C(C1)C23,0.3349 Cc1ccoc1C(=O)C,0.1896 CC1CCC1CC#C,0.3145 CCC12C3C4C3C1(O)C24,0.2885 C1CC(C1)(CCO)O,0.3221 CC12CC3C4C1C4(O)C23,0.3056 CC12C3C1C1(O)C3C21C,0.2789 CCCC1OC(=O)C1C,0.2812 CC1C[NH+](CC([O-])=O)C1,0.264 CC(=O)Nc1c[nH]cn1,0.2199 OC1CN(CC=O)C1=N,0.1963 CC1(C)OCC2CC1C2,0.3205 CC1NC(=O)C(=O)C1C,0.1714 C1C=CC2CC1CC=C2,0.2379 CC1C2CN3C2C1C3=O,0.2251 CC1(C#N)C2COCC12,0.3006 CCC(C)OC(=N)OC,0.314 OCCOC1CCOC1,0.3221 C#CCNc1ccon1,0.2275 CN=C1OC(C)=CN=C1,0.1511 CC(=O)C1NC1C#N,0.2198 NC1=CN=C2C(O)CN12,0.2237 [O-]C(=O)C1C[NH2+]CC=C1,0.1587 CCC(C)C(=O)C=O,0.1541 O=CC1=C2CN3C(C1)C23,0.1436 CC12C=CC3C(C=C1)C23,0.233 OC1CC1(C#C)C1CO1,0.2848 CC12C3NC3C3C1CN23,0.2977 O=CC1CCC(=C1)C#C,0.1948 CC(C)(C=O)C1CC1O,0.2245 CC1=C2CC3C(C1)C23O,0.1694 CC1C2C3C=CC2C13,0.226 CCC(C)(C)C1CO1,0.3388 CC1C(C)(N)C1(O)C#N,0.271 c1c2n(cn1)CC=C2,0.182 CC12C3C4OC1C4N23,0.3035 OC12CC3CC1(C#C)C23,0.2642 CC#CCNC=O,0.2722 C1c2c(nn[nH]2)NC1=O,0.2056 CCNCc1ncon1,0.2031 COC1CC2C3CC3C12,0.3044 CC1OCC2CC1O2,0.3208 CCC(C)CO,0.3408 OC12C3OC1C3C21NC1,0.3041 CC1CC2C3CC2C1C3,0.3652 OC1COCC2CC12,0.3107 CCc1ccc([nH]1)CC,0.2323 COC1CCCC1C=O,0.2256 OC12CC3CC1C2O3,0.2942 NC1=NC2C(O)C2CO1,0.2646 CC1C(N1C)C(C)(C)O,0.3129 CC#CCOC(=N)C#N,0.2103 Cc1c([nH]cnc1=O)N,0.203 OCC1CNC(=O)C1,0.275 C#CC12CCC1CC2,0.2843 CCC1(CN1C=O)CC,0.2546 CN1CC2CC2NC1=O,0.2867 OCC1=CNCC1=NO,0.1777 CC1C2(O)CC1(C2)C#C,0.2945 CC(CO)CCC#C,0.3157 CC12CC1(CC#N)OC2,0.2722 CCN=C(C#C)NC=O,0.1965 CCC(CC#C)N1CC1,0.2844 CCCn1ccc(c1)O,0.2306 C1C2C3CC1OCOC23,0.3195 C1CN1C1CC=CC1,0.2606 CC1CC1NC(=O)CO,0.2695 CC1C2CC1(C2)N1CC1,0.3167 CC12OCC1CC2O,0.3074 COCC(CCO)C=O,0.2282 CC1(O)C2CC1C2CO,0.3216 CCC#CCC(=O)N,0.2682 CCC1C(CC#N)N1C,0.2634 CC1CC2CC1(N2)C#N,0.2645 OC(C=O)C1OCC=C1,0.2046 COC1C2CC1C1OC21,0.3316 CCCC12CC1CCC2,0.3379 Cc1cn[nH]c1C(=O)C,0.1955 CC1COC(C)OC1,0.338 CC1OC(=O)C1(C)C,0.2803 C1C=C2CN=CN2C1=O,0.1929 CC1CC=C2C=CCC12,0.193 CC1=CC(C#N)C(O)C1,0.2597 COC1CC2CC(C1)O2,0.3169 C#CC12CC3C(O1)C23,0.2524 NC(=O)C12COC1C2O,0.2571 OC1CN2CC3C2C13O,0.2813 N#CC1OCC11CCO1,0.2637 CC12CC1C(C)(C)OC2,0.3281 C#CC1COCC11CC1,0.2942 OC(C#C)C(C#C)C#N,0.2811 OCC(CC#C)C1CC1,0.2923 CC1C2C(CC12C)C#N,0.2988 NC(N)=[NH+]CCC([O-])=O,0.2577 O=C1CCN2CCN=C12,0.1624 OCC12OCC1C2O,0.2929 COCCC1CC1(C)O,0.3242 C#CC1OCCN2CC12,0.2528 c1[nH]c2c(n1)OC(=O)C2,0.2069 Cc1c(oc(n1)NC)C,0.2273 OC(C#N)C1=COC=C1,0.237 C1C2C3OC2C13,0.3099 CC(C#CC#C)C1CO1,0.2295 CC(CO)CC1CCO1,0.3198 OC12C3C4C5C3C1C5C24,0.2913 N=C1N=CN=CN1C=O,0.1645 c1c(oc(=O)nc1O)N,0.2034 COC12CC3OC1C23O,0.2791 CCC1=C(C)CC2OC12,0.2368 CC#CC(=NO)C(C)O,0.2019 CC(=O)CC(CO)C#N,0.2362 CC1CCOC1CCO,0.3203 Cc1cc([nH]c1C)N,0.229 CN1C2C(O)C1C2C#N,0.2585 c1c(coc(=O)n1)F,0.1705 CCC12CC(C1)CO2,0.3202 C1C2C1C1COC3C2C13,0.2994 C1OC2C1C1COC2C1,0.3131 OC1C2CC1(O)C(=O)O2,0.2691 O=CCCC(=O)C1CN1,0.221 C#Cc1c(nc([nH]1)N)O,0.1918 C1CC=C(C1)CC=O,0.2078 O=CNC1C=CNC1=O,0.2095 C#Cc1nc(on1)CO,0.2222 CCC1=C(CNC1=O)C,0.223 O=C1CCC1CCC#C,0.2194 CCC1NCC1=NO,0.2333 CC1COCC(CO)O1,0.3213 CC(O)C(CO)NC=O,0.276 CCC(CNC=O)C#N,0.2784 C1CC11C2CC1CCC2,0.3463 CC(C)C1CCC1O,0.3261 CC1(CO)CCC11CO1,0.3242 CC(C)CC#CCCO,0.3015 CC12CN3C1C2C3=O,0.2436 N#CC12OC1C1CCC21,0.2683 Cc1c(nc([nH]1)O)N,0.2275 OCC1CC(C=O)C=C1,0.2162 CC1(C)CC(O)C11CN1,0.3021 NCC1(C#N)C(O)C1O,0.259 OCC1(C#C)C2CC1C2,0.2949 CC12OC(=O)C1(O)C2O,0.2539 CC1C2OCC(C)C12O,0.2886 N=C1NCC11COCO1,0.2616 OC1(C=CNC1=N)C#C,0.2021 OCC1=C2CCC2CC1,0.2412 CC1C2CC(O)C12,0.3214 CCC1OC1CC1CC1,0.3501 O=CC1CCCN1C=O,0.2027 OCC12CC3C1C3(O)C2,0.3067 OCCC1CC1(O)C=O,0.2211 CC1N2CCCC12C=O,0.2122 CC12C3C4C3C(=O)C1C24,0.208 CC12COCC1(O2)C#N,0.2724 O1C=C2C=CN=C2C=N1,0.1599 CC1C=CC2(C)CC1C2,0.2524 CC1C2COCC12C#N,0.2935 CC1(C)CC1OCC#N,0.276 CC(O)C1OCCC1=O,0.2115 OC1(C#C)C2C3C1CN23,0.2641 O=C1OCC2CCC1O2,0.2555 N=C1OC2C3CC1OC23,0.259 CNc1c(=O)occn1,0.1629 CN1CC1CC(N)C#N,0.256 CC1C(C#C)C(O)C1=O,0.2082 OC1CC2C(CC=O)C12,0.2248 O=CC1CC2CCC1O2,0.2238 CC(CC1CO1)C#N,0.3174 Cc1c(non1)N=CN,0.2016 OC1COC2=NOC=C12,0.2375 CC1OC1C(C)(C)C#N,0.308 OC1CN(C=O)C=C1,0.2106 CC1C2C(O)C2NC1=O,0.2645 CC1N2CC2(C)C11CN1,0.3025 Cc1c[nH]c(c1O)OC,0.2318 OCC12CCC1OC2,0.2976 CC1N2CC(C)C12C#C,0.2448 N#CC12CC1CC2,0.2885 OC1C2CC1C1CCC21,0.3169 C1NC11CC2C3CC1N23,0.3061 CC(C)(CNC=O)OC,0.2831 COC1(CCC1)CC#N,0.2943 CC1(O)C2CC2C11CN1,0.3003 CCN1CC1(C=O)C#C,0.1961 O=CNC1C=CCC1=O,0.2156 CC#CCCOC,0.305 CC12CC3C1C(C2)C3=O,0.2201 CC1CCN(C=O)C=C1,0.2127 OC12CC1C1(CO1)CC2,0.3287 OCC1=CC2(CN2)CC1,0.2358 c1nc(c2n1CC2)C#N,0.2309 c1(c(non1)N(=O)=O)N,0.1566 c1(nc(=O)onn1)N,0.1688 Cc1c[nH]c(c1C)NC,0.238 OC1C2OC1C2CC=O,0.2255 OC1=NC=NC(=N)C=C1,0.1697 N#CC1OC=NC2CC12,0.2528 NC1=C(F)C(=N)N=CN1,0.1874 N=COCC1(CC1)C#N,0.2796 OC12CC1CC2NC=O,0.2528 O=CC1C2CCC1CC2,0.2263 CC(COC1CC1)C#N,0.2987 COC1(CO)C(O)C1O,0.2737 C1CC1C12OC3C1CC23,0.3084 OC1=COC(=N1)C1CO1,0.2064 CN1CC(C(N)=O)C1=O,0.259 CCOCC1CCC=C1,0.264 COc1cc([nH]c1O)O,0.2297 COCCC1C2CCC12,0.3356 CC1C2CC2OC1(C)C,0.3013 O=CCC1=CC2OC2C1,0.2066 CCC(C)CCCCO,0.3422 c1c(cc(cc1O)O)N,0.2259 COC1C2C1C(C)C2C,0.3231 N=CN1CCNC1=O,0.2432 NC(=[NH2+])C1=COC=C1[O-],0.1827 CC12CC(O1)C2CC#N,0.2896 CN=COC1CCC=C1,0.2466 NC1(COC1=N)C#N,0.2567 C1OC23CC(C=C2)C13,0.2324 CCC12OC1C=CC2O,0.2368 Cc1cc(oc1)NC=N,0.1973 CC1(CCC=O)CCO1,0.229 CC1(O)C(O)C1CC#C,0.2911 CCC1(C)CC(C1)C=O,0.224 O=C1CNC2CCC2N1,0.259 CCC1C2OC1C21CO1,0.3181 C#CC1(COC1=O)C#C,0.2566 OC1C2CN(C=O)C12,0.2556 O=CC1C=CC2OC12,0.21 CCC12OCC1CC2C,0.3053 COC(C)C(O)C(C)=O,0.2372 C1C2C3CC4(CO4)C3N12,0.2793 Cn1cc(cc1CO)N,0.2163 OC1(C#C)C2CCOC12,0.2631 CCC1OCC(C)C1O,0.3032 C1OC11COCC2CC12,0.3169 CC1=CC2CC1(CO)O2,0.2356 Cc1c2c(c[nH]1)COC2,0.2344 C#CCCC1CCOC1,0.2954 OC(C=O)C1(CO1)C#N,0.2296 CCC1NC1C1CCO1,0.3105 C#CCOC1CC2CC12,0.2841 O=C1C2CC1OC(=O)N2,0.1952 CC1=C(OC=N)ON=N1,0.2033 CN=C1OC2C=CCC12,0.2417 CC1CN2CCC12C#N,0.24 C#CC(=O)c1ccoc1,0.1803 c1c([nH]nn1)CCO,0.2531 CC1=C(C)C=CC(=N)O1,0.1643 C[NH2+]CC(=O)C([O-])=O,0.1768 O=COC1C2CN2C1=O,0.2275 Cc1cn(cnc1=O)C,0.2077 O=CNCC1COC=N1,0.257 c1c2c([nH]c1O)nno2,0.1849 NC1(CC#N)C(O)C1O,0.2737 CCC(C)C1CC(=O)N1,0.2818 CCN1CCC1(C)C#N,0.2605 C1C2OCC3(CCC3)C12,0.3122 C1COC(=O)N1,0.3152 CCNc1nc(on1)C,0.2221 CCN1CC1C(N)C#N,0.2533 C1CC23OC4CC12CC34,0.2993 OC(C#N)(C#N)C1CN1,0.2339 CCCCC1(CC1)C=O,0.2329 COC1C(C)OC1C#C,0.272 CC12CN3C1CC(O)C23,0.2911 NC(=O)C1(CC#C)CN1,0.2638 NC1C2N=CNC=NC12,0.2007 CC12OC1C(C=O)C=C2,0.2093 c1c2c(ncn1)NCC2,0.203 CC12CC(N1)C(=C2)C#N,0.1951 CC(C)OCC1(CC1)O,0.3168 OCC1C2C3CN3C12,0.2842 OC12CC3C1OCC23O,0.2933 OC1C2OC2CC1C#C,0.2901 N=C1OCC11CC1,0.2819 COc1c(n[nH]c1O)N,0.2525 CC1N(C)C1(C)CC#N,0.2666 O=CC1NC2=NCCC12,0.1898 CC1OC(=N)NC1C=O,0.1909 CC1CN2N=C(O)N=C12,0.2427 C1CC2C3OC3C2O1,0.3084 O=C1C2C=CC3C2N13,0.2094 CC(C)C1COC(C)C1,0.3181 Cc1cnc(o1)C(C)C,0.2367 CC1C(=O)CCC=C1C,0.2239 CC1CC(=O)C1(C)C=O,0.1967 OC1C(=O)COC1=O,0.2122 Cc1cnc(c(=O)[nH]1)C,0.1715 N=C(C#N)N1C2CCC12,0.2026 c1c(noc1C=O)C=O,0.1764 CCC1CC(N1)C#N,0.2653 OC12CC3C4C1CC2N34,0.2918 CC1(O)C=CC(O)C1=O,0.207 CC1(CCC1)C(=O)CO,0.2355 CCCn1cncc1C,0.2454 CC(O)(CO)CC#N,0.3076 CCn1c(ncn1)CO,0.2556 N=C1OC2CC2C1C#N,0.2716 CNC1(C#N)C(N)C1N,0.2482 CCNc1ccn(c1)C,0.2167 C#CC1OCCC1C#N,0.2972 CC#CC1C2NC2C1=O,0.2037 Cc1nc(nc(n1)O)N,0.2319 COCC(O)C(C)(C)C,0.3226 N#CC1CC2(CO2)C1,0.3058 CC(C#CCO)C1CC1,0.2826 CC1CCOC1(C)CO,0.3179 CCC(O)C1NC1C#C,0.277 CCC1N(C)C1(C)C=O,0.2101 CN=C1OC=CC(N)=N1,0.1734 CC1C2C(O)C1C2C#N,0.2983 CC12CN3C4C(C14)C23,0.2948 c1c(n[nH]c(=O)n1)N,0.1475 CC1C2COC(O2)C1=O,0.211 CCC12COC1C=CC2,0.2516 CCC1CC(O)C1C#C,0.2919 COCC#CCOC=N,0.2744 C1CC2COCC(C2)O1,0.2999 CC(=O)N(CCO)C=O,0.2342 CC(=O)C(CCO)C#N,0.2304 CC1=CC(O)=NC(=N)O1,0.1809 O=CCCC12CC(C1)O2,0.2213 CN=C1OCC11CO1,0.2612 CCC1COC(C1)C#N,0.297 CC(C)OC1CNC1=O,0.257 CC1CC=CC=C(C)C1,0.1895 Cc1cccc(=O)cc1,0.1562 c1c2c(c([nH]1)O)[nH]cn2,0.1914 Cc1c([nH]c(n1)NC)O,0.2243 CCC(CC)(CO)C=O,0.2225 CCC1(CC1O)C1CC1,0.3275 N=C1NC(CC#N)=CO1,0.2096 N#CC1C2CCC3C2N13,0.2569 N=C1C=NNN=CC1=N,0.1681 CCn1c(ncc1O)C,0.2372 CC1(C=CC(=NC)O1)C,0.2012 CCC12CC(O)(C1)C2=O,0.2453 O=C1CC2CC3C(N1)C23,0.2655 NC(=O)C1C2CC1C2,0.2653 COC1(C)CNC(=O)C1,0.2754 CCc1nc(c(o1)C)C,0.2325 CC12C=CC3CC1C23,0.2373 CCC1OC1CCC#N,0.3113 OC1CC2CCC(C2)C1,0.3286 CC1(CO)CC1(O)C#N,0.2913 NC1(C#C)C2OC=NC12,0.2421 CC(C)C(C)C(=O)C=O,0.1535 COCC1C2CC(=O)N12,0.2354 CN(C=O)C(=N)CC#N,0.2318 N#CC1CC2CC(C2)O1,0.2883 CCCC1CC(N1)C#N,0.2653 OCC12CN3C(CC1)C23,0.2878 O=CC1(NC1C#N)C#C,0.2172 C#Cc1c(c([nH]n1)O)N,0.2143 CCC12CC1C(C)C2C,0.3199 CCOCC1(C)CC1O,0.2963 COC1COC2CC2C1,0.3023 CC12COC(C1)CC=C2,0.2566 C#CC1OC1(C#C)C#N,0.2408 CC(=O)COC(=N)C#C,0.2191 CC1C2(C)CC2C11CO1,0.3245 OC1COC(=NC1)C#N,0.2279 CC1CC23OCC2OC13,0.2818 CC1(C#C)C2OC(=N)C12,0.2481 OC1(CCC2CC12)C=O,0.2249 O=CCC12NC1C1NC21,0.1805 OC1C2OC(C#N)C12,0.2461 CC1COC(=O)C(=N)N1,0.196 c1c(cncn1)CC#N,0.2079 CC(C#N)C1=CCCC1,0.2527 CCC(NC=O)C(C)=O,0.222 CN=C1NN=CC(O)=C1,0.154 OCC[NH2+]CC([O-])=O,0.269 C#CC(=N)NC(=O)CO,0.2029 CC12OCOC1(C)C2O,0.2955 CC1CC(=O)C(=O)C1O,0.1439 COC1OC=NC1C#C,0.2703 OC1C2CC1(O)C21CO1,0.3135 CC1(C)C2CC(O)CN12,0.2819 CC(=O)C#CCC1CO1,0.2078 CC(=O)N1CC1C1CN1,0.2513 COC1CC1(CO)C#C,0.2759 OC1CC1C1=COC=C1,0.2357 OCC1OC1C(O)C#C,0.2822 NC(=O)OC12CC1CC2,0.3074 CC(C#C)C1CC1,0.3126 OC1CC2CC12C1CO1,0.3187 C#CC#CC1CCCO1,0.225 CC1CC(=N)OC1C#N,0.2823 CC(OC1CC1)C(N)=O,0.2657 O=CC12CC(COC1)N2,0.2017 C1CC1(CO)NCC#N,0.274 CC(=O)OC=NCCO,0.2297 O=C1NC2CC3COC123,0.251 CC1(CC#N)CC2OC12,0.2971 CC1CC(CO)CC1=O,0.2221 OC1C2CC2CNC1=O,0.2486 Cc1cnc(cn1)NC,0.1741 NC(=O)C(C=O)C1CO1,0.2096 CN1C=NC(=N)C(F)=C1,0.1901 CC#CC1C2CC1C2=O,0.2452 COC12CC1(C)C(O)C2,0.321 O=C1CCCCC2CC12,0.2255 NC(=O)CC1NCC1=O,0.2008 c1c(c(=O)c(co1)O)O,0.1843 CC(C=O)(C#N)C1CC1,0.2225 OC12C3CC1C=CC2O3,0.2348 NC1=COC2=C1N=NO2,0.1251 CC(O)C1CCOC1C,0.3034 CCC1=CCC(O)C1=O,0.1944 OCC12CC1C1(O)CC21,0.2761 CC1CC=CC11CO1,0.2509 CC1CC2=CC=C(C)N12,0.2388 COc1c(cn[nH]1)C#N,0.2384 O=CNC1CC2OC2C1,0.2828 NC(=O)C1=CC2CC2C1,0.2094 O=C1NCC1CC1CC1,0.2809 CCC1C2C3CC2N13,0.3142 CCC(C)C#CCC#C,0.2886 CC(C=O)(C=O)N1CC1,0.1806 CCCOC(=O)C(=O)N,0.206 CC12CN(C1)C1CC1O2,0.2934 CCC(O)CN1CC1C,0.3018 C#Cc1ncnc(n1)F,0.2056 CC#CC(CC#C)C#N,0.2798 N#CCC12CC1CC2,0.3021 OC1C2C=C3COC3C12,0.2196 CC1(C)CC1(O)C#N,0.2921 CCCC(=O)C1(C)CN1,0.2304 OC1CC(O)C(C1)C#N,0.3058 O=CC1CC2CC(C2)C1,0.2278 Cn1c(cnn1)CO,0.2512 C1COCCC(=C1)CO,0.2498 CNC(=O)COC=O,0.2641 N=COC1C2NC2C1=O,0.2018 CC1OC11C2CC2C1O,0.3034 OC1CC=CCC2OC12,0.2663 OC(C#C)C1=NON=C1,0.2375 CCN=c1ccnc[nH]1,0.174 N=C1OC2CC2C11CO1,0.2534 CC1C2C3C2N1C3C#N,0.2711 OCC1NC=NC1C#C,0.248 CNC1C(N)C1(C)C#N,0.2721 OC1CC1CC#CC#C,0.2305 CC12CC(=NO)C1CO2,0.2424 Cc1c(cc([nH]1)N)OC,0.219 CC1(COCCO)CN1,0.317 CC1C(CO)C1(C)C#N,0.3068 CC(C)C1C2COCC12,0.3216 CC1NC11C2C3OC2C13,0.3051 OC1C2C=CCCC12O,0.2405 C(#N)C(C#N)N,0.2758 CN(C=O)C(=O)C1CN1,0.2249 CCC1(C)OC(C)C1=O,0.2186 CCC1C(C)OC1=N,0.2888 CC1=CC2CC1OCC2,0.2496 Cc1cnccn1,0.1969 CCN1CC1C(=O)C#C,0.168 OCCN=C1NCC1O,0.2517 c1c2n(c(=O)o1)CC=C2,0.1698 CCOCC1OC1C,0.3391 N#CC1OCC=C1,0.2543 CCC1C2C(O)C1C2O,0.3171 CC12C=CC3(C)CC1N23,0.2181 CN1C2CC3C2C13C=O,0.1948 CCC(CC)(CC)C#N,0.35 C1CC1NC(C#N)C#N,0.2397 N=COCCOCC=O,0.2265 C#CC1OC1C1CCO1,0.269 c1cc2n(c1)CCC2=O,0.1917 CC1N2CC1(C2)C#C,0.2752 CC#CC(C)(C)C(C)C,0.3061 CC1C2C3CC3(C)N12,0.3102 CCc1ncc(=O)[nH]n1,0.1668 CC1OCCC1C#N,0.2956 CC1C(OC=O)C1(C)O,0.2595 CC(C1CC1)C(N)=O,0.2751 Cc1cn(c(c1N)O)C,0.2348 CCc1cc(cnc1)O,0.2094 CC1C(C)C2(O)CC12O,0.2927 C(CO)N(C=O)C(=N)N,0.2367 CC#Cc1noc(=O)o1,0.2101 C1CC2OCCOCC12,0.3172 O=CC#CC1NCC1=O,0.1957 C(C#CC#CC#N)C#N,0.1937 COC12C3CC1(O)CC23,0.2941 NC(C#N)C12CC1CC2,0.2739 N#CCC#CC1CCO1,0.2636 Cn1cc(nc1O)O,0.2372 C1CC2(C1=O)COC2,0.2095 OC12C3C4C3C1C24,0.2916 Cn1c(c(nn1)O)OC,0.2169 CC1CC=CCC1O,0.2666 C1CC12CC(C2)(C#N)O,0.2949 C1C(CO1)(CO)C=O,0.2154 c1c(nnn1C(=O)N)O,0.1973 CC1=NOC(=N)C(O)=C1,0.1773 Cc1nnc2n1nn[nH]2,0.1937 OCCC12CN1CCC2,0.3059 C1CC2CN3C1C3CO2,0.2833 CC(CC#C)N(C)C=O,0.2728 C1N2CCC12C1CCO1,0.3128 CC12C3C4C=C1CC2N34,0.1768 CC1C(C)C1(C)NC=O,0.2729 c1c(oc(n1)O)N2CC2,0.2343 COCC1=CC2CC2C1,0.2443 OC(C#N)C1COC1=N,0.2797 CC1C2OC2(C=O)C1O,0.2132 CC12CCC1C1CC21,0.3197 N#CC12CC3NC1C3O2,0.2504 CCC12CC(=O)N1C2C,0.2344 O=C1CC2C(C3CC3)C12,0.2296 CC1CCC(OC=O)O1,0.2779 c1c(c(c[nH]1)C#N)C#N,0.2235 CC1(COC1)C2CC2,0.3232 C1CC1COC(=O)C#N,0.2395 CCOC(CC)C(C)=O,0.2185 CC1(CCC1)CC=O,0.2245 OC12CN3C1CC23C=O,0.2088 NC(=O)C12C3C4C3N1C24,0.2335 Cc1cc(ncc1N)F,0.1915 CC1C2C(C1C)N2C=O,0.2439 NC1(CC2(O)CC12)C#N,0.295 C1C2C3C1C21OCOC31,0.318 OCC12CCC(N1)C2=O,0.2283 COC1C(=O)CC1(C)O,0.1998 N#CC1C2CN1CCO2,0.2513 CCc1c(cno1)N,0.2084 CC1(C)C=CCC1C=O,0.2189 c1c(c[nH]c1CC#N)O,0.2203 CN1C2CC(O)C12C,0.2941 CC#CC#CCC(=O)C,0.212 Cc1nnc2n1cno2,0.2077 c1c(c(coc1=O)F)F,0.1785 CN1C2C3C(C=O)C2C13,0.199 COCC(=N)OCC=O,0.2211 C1OC11CCOCC=C1,0.2487 Cc1c([nH]c(n1)O)OC,0.2478 CC(O)C(NC=O)C=O,0.2168 OCC1(CC1)C(O)C#C,0.2998 CC(C)(C(=O)NC=O)N,0.2115 CC1C(=NO)C2NC12C,0.2358 C1CC1CCO,0.3424 CCOC1(CC1O)C=O,0.2181 CC12CC1(O)C(=O)OC2,0.2591 CC12CCC1C2NC=O,0.2686 CCC1OCC1O,0.306 C(c1c(nc(o1)N)O)O,0.2198 O=C1C=CC2(CN2)C1=O,0.1373 Cc1c(cc[nH]1)OC=O,0.2178 OC1CCN2C3CC1C23,0.3088 CCOC(=N)CC(C)O,0.2871 CC(C)C1OCC=C1C,0.2487 C1C2CC3CC12CCO3,0.3159 C1CC1N=COCCO,0.2516 N#CCN1C2C3CC2C13,0.2639 C[NH2+]C(CO)C([O-])=O,0.2613 CC12CCN1C(=O)CC2,0.2561 c1c2c(n[nH]1)CCC=C2,0.2029 Cc1c(ocn1)CC#N,0.2393 CN1C2CC(C2)C1C#N,0.2582 CC1C=CC=C(C)C=C1,0.1784 CC1C2OC1C2OC=N,0.2699 CC1=CCc2n1cnc2,0.2052 COC12CC1C(O)C=C2,0.238 Cn1cc2c(n1)onn2,0.1946 COC(C)CC1CC1,0.3347 COC(C)CCC#CC,0.302 C1OC2CC3NC3C12,0.3016 N#CC1CCCN2CC12,0.2686 CC1N2CC(C)C12CO,0.304 CC1OCOC11COC1,0.3201 CC(C)C12CC(=O)C1O2,0.2165 C1C2OC2C2=C1NN=C2,0.2455 CC1(C)CC1C(O)C=O,0.2245 CCC12C3CN(C13)C2C,0.3006 CC1CC(CO1)C1CC1,0.3299 CC1CC(C)CC(C)C1,0.3698 OC1=C(O)C(=N)OC=N1,0.1623 CC1C(CC=O)C1(C)O,0.2251 CC(CC#N)C1COC1,0.2852 CCCC1(C)CC(=O)N1,0.2831 C#CCN1CC2OCC12,0.2591 C1CC2=NCC(=O)N2C1,0.2294 O=C1NC2C(C3CC3)C12,0.2496 OCC(O)C1(CN1)C#C,0.2818 C1C(CO1)(CCO)C#N,0.2867 CC1=CC(=O)C(C)(O)C1,0.1888 CC1(CC1)C(C)(C)C=O,0.2245 CC(C)C(C)C1COC1,0.3108 CC(O)C12C3C4C3N1C24,0.2801 CC#CC1(COC1)CO,0.2866 OCC#CC1CCO1,0.2681 OC1CNC(=O)C(O)C1,0.2627 C1CN(C=CC1=O)C=O,0.1842 CCC12CC(CO)(C1)O2,0.3183 NC(=O)C1COC1=N,0.2602 C1C2CCC11OCCC21,0.3198 OC(C#C)C1=NOC=N1,0.2446 CN1C(=N)OC=C1C,0.2204 C(#N)c1c(c(n[nH]1)O)N,0.1803 CC(O)C#C,0.3001 C1CC1COC(=O)C=O,0.1809 CCC1(C)C2CN2C1=O,0.2299 C#CC#Cc1[nH]ccn1,0.1718 CCc1c([nH]cn1)C=O,0.1902 Cn1c(ccn1)C2CC2,0.2502 CNC(=O)CC1CN1,0.2746 C1C(CN1C=O)O,0.2654 C1CN1C1CCC=CC1,0.262 COCC(=O)NCC=O,0.2183 CC(C)n1cc(nc1)O,0.228 c1cocc1C#N,0.224 N#CC12CC3C(C=C1)N23,0.2168 c1nnc2n1nc([nH]2)O,0.2498 OCC(=O)C1COCO1,0.2275 C#CC1CN2CC2CO1,0.2525 OCC1CC(=O)C1C#C,0.2155 CC(CCO)C(O)C#C,0.2938 NC(=O)CC12CC1CC2,0.2695 NC1=C(O)C(=N)OC=N1,0.1588 COC1OC(=O)C=C1,0.2194 CN1C2C1C1(O)COC21,0.2778 CC(=O)CC1(CO1)C=O,0.2232 OC1CC(OC1=N)C#C,0.2827 OC1COC2C3CC12N3,0.2995 CCC12C3C4C1C2(C)N34,0.2783 [NH3+]CC1=N[N-]C=NC1=O,0.1795 CC1CC1C1=CNC=C1,0.2476 CC1C(CC#C)C1(C)O,0.298 CC1=CCOC(=NC1)C,0.2313 OCC12OCC1C1OC21,0.2929 COCC1OCC(C)O1,0.3298 CC12CC1OC2(C)C=O,0.2059 C1CN2C3COCC23C1,0.3056 C#CC(CC#N)C1CN1,0.2688 CC1=CCCCC1(C)O,0.2582 CCC(C)(CC#C)C#C,0.2947 CCC1(O)C2C3CC2C13,0.3218 CCn1cc(nc1)C,0.2486 CC1(C)C2N=COC12C,0.2506 CCCN1N=COC1=N,0.2153 CCC12CC3C=CC1N23,0.2135 OC1CCN2N=CC=C12,0.2553 CC1CC(C)C1C(C)=O,0.2216 c1(=O)c(noc(n1)N)F,0.1986 C1CC23OC4C2OC34C1,0.2826 COCC1CC1(C)C#N,0.3007 C1CN1CCOC=O,0.269 NC1=NNN=C(N)C1=N,0.1515 C[NH2+]CC1=C([O-])OC=N1,0.1552 OC(C#N)C1=CN=CN1,0.2309 c1coc2n1ncn2,0.2374 Cc1nc(c(=O)[nH]n1)F,0.1791 O=CCN1C2CC1C2=O,0.2258 CC1C2CC(C2)C11CC1,0.3488 CCCOC(CN)C#N,0.2698 [NH3+]CCC1=C([O-])ON=C1,0.2316 O=COCC(C=O)C#C,0.2208 Cc1c(cno1)N(C)C,0.2208 O=CC1CC2C1CC2=O,0.2077 CCc1nc(cn1C)C,0.2403 CC1C2CCC12OC=O,0.2671 N#CC12CCC=C1CN2,0.2335 CCC12CC(O1)C2C#N,0.2777 CC1(C)C2CCC12C#C,0.2651 CC(O)(CCO)C1CN1,0.2799 OC1CCCCCC1O,0.311 O=CC1C2CN1CC2=O,0.1868 OC1CN(CC2CN2)C1,0.3011 CC1OC(C)(C)C11CN1,0.3095 Cc1c(nn(c1C)C)C,0.2512 C1C2N=C3OC4C2C1C34,0.1556 O=C1COC2CC2C=C1,0.1786 COC1CCNCC1=O,0.2044 CC#Cc1c(nco1)N,0.1803 CC1OC2(C)CC12CO,0.2991 NC1(C#N)C2C3CC3C12,0.2492 CC(CCC#N)C(C)=O,0.2306 OC(C#N)C1=CC=CN1,0.2191 ON=C1CC2(NC12)C#N,0.23 NC(C(O)C#N)C1CO1,0.2741 CC1[NH2+]C2C1C2C([O-])=O,0.2648 C1CC1(CCC=O)O,0.2282 CC(C)Oc1cn[nH]n1,0.2311 OC1CNC1CC#N,0.2842 c1coc(=O)cc1N,0.1849 CC1C(C#C)C(=O)N1C,0.2692 O=CCCC#CC1CO1,0.22 C1C2CCC=CCC1O2,0.2314 COC1CCC(C1)C#C,0.3098 OCCC(CC#N)C#C,0.2996 N=C1CNC(=O)CCO1,0.254 OC1C2C3C2C2C3C12O,0.2865 c1cc(ncc1N)N,0.1739 [O-]C(=O)C1[NH2+]C2CC12,0.2645 c1nnc2n1nc(o2)N,0.2478 c1c(ncn1C2CC2)N,0.2162 CC1(CCO1)C#CC#N,0.2237 C1C2OC3C=CC2OC13,0.2285 c1c([nH]nc1C=O)CO,0.2003 CC1CC1C(N)C#N,0.2919 C#CCCc1ncon1,0.2382 CC1CC2=CCCC12,0.2462 CC1C2CC3(CO3)CN12,0.2942 CC1(OC1C=O)C1CC1,0.215 OC1=NNC=C1OC=N,0.2359 NC1=C(O)NC=NC1=N,0.1882 Cc1c[nH]c(c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c1c(=O)nc(oc1F)F,0.2231 C1CC=CCC2(C1)CC2,0.2577 Cc1n[nH]c(=O)n1C,0.2394 CC1NC2(CC12)C#N,0.2443 OCCC12NC3C1OC23,0.2907 NC1=C(O)OC(=N)C=N1,0.1274 CC1CC2CC(C)(C2)C1,0.3489 CNC(C)(CC#N)C=O,0.2099 O=C1NCC1OC1CC1,0.2576 N#CC12OC1C1CC21,0.2451 CC12CC3NC3C1CO2,0.3028 CC(C)(C#N)OCC#N,0.291 CCC12NC1C1OCC21,0.2873 NC(=O)CC1CC2OC12,0.2789 Cn1cccc1C#C,0.1994 OCC1OC2CCC1C2,0.3195 CNC(=O)OC1CC1,0.3124 C#CC12NC1C1OCC21,0.2433 CC1CC=C2CCC2O1,0.2495 CC(C)N1N=NNC1=N,0.1994 CC12OC3C4NC4C1C23,0.2796 CC1=C(C(=O)OCC1)C,0.2208 N=C1NCC2NC2C1=O,0.1847 CCOc1conc1N,0.2299 c1cnn2c1CC=CC2,0.2414 CC12C3C4N1C2C34C#C,0.2357 CCNC(=O)NC1CC1,0.2984 OCC12NC1C(O)C2=O,0.2016 Cc1cn(cc1NC)C,0.2239 OC(C1CC1)C(=O)C#C,0.1962 CC(C)c1cnn(n1)C,0.2488 C1C=CC2(C1=O)COC2,0.2163 CC12OC1COC21CC1,0.3151 OC1CC2COCC=C12,0.2511 C1C2CCC3CC2C13,0.3473 OC1COC2(CC2)C1=O,0.2127 c1coc2c1C(=O)OC2,0.2248 Cc1c(con1)NC,0.2126 C1OCC23OC2CC=C13,0.2419 CC(=O)C1CCOC1,0.2312 C#CC1CC2(C1)CC2,0.3035 CCC1=C(CCC1=O)N,0.2045 CCC(C=O)C(=O)C#C,0.1786 CC1(CC1)C12CC1CC2,0.325 CC(C)c1cn(cn1)C,0.2489 c1c(nc(nn1)F)N,0.1846 c1c(c(=O)c(no1)F)N,0.1595 CC(=O)C(C)(C)OC=N,0.2298 CC1C=CC2CC1(O)C2,0.2526 N=C1OCC(C=O)=C1,0.1693 COCc1c(c[nH]n1)N,0.2201 O=CCC12CC1C(=O)N2,0.2187 CC12CC1C1OC(=O)C21,0.2583 CC1(C=O)C2C3CC2C13,0.2193 CN1C2CC2(C)OC1=O,0.2913 CC1C2CC1(CO2)C#N,0.2771 CC12C3C1C1=CC2CC31,0.1919 CC12CC3C4C(C14)C23,0.3289 c1c(c([nH]c1O)N)C=O,0.1692 CC1(CC1C(N)=O)C=O,0.2252 NC1COCC=C1C#N,0.208 COc1cc(n[nH]1)O,0.2552 CC1CC(CO)(O1)C=O,0.2103 C1C=Cc2c(nno2)N1,0.1439 C(=N)NC(=O)C(=N)N,0.2073 CC1OCC=CC1C#N,0.2591 CC12C3CN1C2(C)C3=O,0.2277 CC(C)C1N2CC2C1=O,0.2181 O=CNC1CC(=O)C=C1,0.1882 CC(C)C1(CCCC1)O,0.3142 COC1C(NC1=O)C#C,0.2537 C1CC12COCCO2,0.3268 CC1(CN1C=O)C1CO1,0.2511 c1c2c(n[nH]1)C=CCC2,0.2028 CCOCc1cnoc1,0.2459 OC1CC2CCCC12,0.3126 CC#CCCC(C)O,0.3023 OCC12CC3OC3C1O2,0.3109 CC1CC2(NCC12)C#N,0.2546 OC1C2CN(CC=O)C12,0.2006 CC12COC(=N)C1C2O,0.2666 C1COC(O1)CCO,0.3336 CC(O)(CC#C)C1CO1,0.3045 CC1C(NC1=O)C1CN1,0.2678 C1C2C3C1C21N=COC31,0.2498 OCC1CC(C#C)C1=O,0.2112 OCCCC(O)CCO,0.328 CC(O)C1C2CC2C1O,0.3008 c1c(coc1N)NC=N,0.1997 CC1(CO)OC2COC12,0.3032 OC1CC2OC1OC2=O,0.2652 CCC(C)C1=CN=CO1,0.2427 CC(=NO)CNC(=O)N,0.2509 O=CCC1C2CCOC12,0.2271 CCC1CC2(O)C(O)C12,0.3011 CCN1CC(=O)C(=O)C1,0.1412 CC1CC(CO)CC=C1,0.2646 COC1(CC1)C1CC1O,0.2906 CC1C(C)(C)CC1(C)O,0.3208 COC(C)C12CC(C1)C2,0.333 c1(nc([nH]n1)N)C(=N)N,0.2106 CC(C1OC1C)N1CC1,0.3088 NC1=C(O)C(=N)OC=C1,0.161 CCC(O)C1COC1,0.3066 c1c(c(=O)c(c[nH]1)O)N,0.1713 CC12CC3C(O)C1(C)N23,0.3051 CC1(C)CC2C=CCC12,0.259 C1CN1CCNC(=O)N,0.2858 CCN=C1OC2CC1C2,0.2758 CCC1CC(O)(CC)C1,0.3197 CC1OC1C1C(O)C1O,0.2787 OC12C3CCN(C13)C2=N,0.2535 CC(O)C1C(C)C1O,0.3075 CC1=C2C3CC3N2N=N1,0.2281 CCC12C3C1C1C3CC21,0.3217 C1OC2C1N=C1OCC21,0.2605 N=C1OC(=O)C(=O)C=C1,0.1521 COCC1N2CCC12C,0.303 CC12C(CC1=O)C2C=O,0.2143 CN=COC1CC1C=O,0.2225 c1c2c(n[nH]1)OCCN2,0.227 CC1=CCCC2OCC12,0.2562 CC12CC3OC3CC1O2,0.3302 OC1C=CC2OC3C2C13,0.226 c1c2n(nn1)CCC2=O,0.2017 CC12CC1CC2(O)C=O,0.2224 CCC1=CC(=O)N(C1)C,0.211 CC1OC2C3CN3C12C,0.284 CC(O)C1=C(N)ON=C1,0.2275 CCC12CNC(=O)C1N2,0.2575 O=C1COC11C2CC1C2,0.2163 NC1C(CO)OC1=N,0.2641 C1CC=C(C1)CC2CC2,0.2578 C#CC12CC(C1)C=CC2,0.2503 CCC1CC(C)CCO1,0.331 C#CCc1ccon1,0.2532 OC1=NOC(=N)C(=N)N1,0.1944 Cc1ccnn1C(=O)N,0.2289 CC12CC1(NCC2)C#N,0.2548 CC(O)C1CCOC1=O,0.2749 c1cc(nc(c1O)F)O,0.1917 COc1c(cccn1)F,0.2093 C1C2C=C3COCC3N12,0.2255 COC1COC1=O,0.252 CC12CC1C1(C)CCC21,0.315 C1C2CC11OCCC21,0.3284 Cc1c(cc(cn1)F)O,0.2092 OC1C2C3CC3(C#C)C12,0.2722 CC1C2OC2C1CCO,0.3261 c1cc(=O)nc(nc1)O,0.1606 CC1OC2(CC12O)C#N,0.2437 Cc1nc(c(n1C)N)O,0.2232 N#CC1(CN1)C1CO1,0.2798 CC12CC3C1C1CN1C23,0.3156 CCC(C)C1C2COC12,0.3092 CNc1c(nc(o1)O)N,0.2247 C1CC1OCCC(=O)N,0.2744 N#CC12CC3C(CN13)C2,0.2628 OC12CC34CCC(C13)C24,0.3306 CCC1(C)OCC1C#N,0.2816 CCC1(CC1)COCC,0.3296 OC1C2CN2C=CC1=O,0.1903 CCC(C)C(NC)C#N,0.2733 CC1(CC1)C2(CC2)C,0.3265 CC1CC2CC1C2=NO,0.2617 CC1=CC(OCC1)C=O,0.209 Cn1cc(nn1)OC,0.2218 CC1CC(=O)C(C)(C)O1,0.2186 O=C1CC2COC12C#N,0.199 CC12CN1C(=O)C2(C)O,0.2228 CC1CC11C2CC2C1=O,0.228 ON=C1C(O)CC11CN1,0.2202 OC1C=CC2C(C#C)C12,0.2332 CN=CN(C=NC)C=O,0.2204 O=C1CC2OC2CCN1,0.2649 CC1(CC=O)CC2OC12,0.2262 CCCC1CCC1=NO,0.2493 CC1(C)C(C#N)N1C=O,0.2527 CN1CC2C(C#N)C12,0.2479 CC1COC2(C)CC12,0.3114 c1c2c([nH]c1N)OCC2,0.2255 OC1C(O)C11CC(=O)O1,0.26 CN(C)C(=O)OC(C)=N,0.2571 C(C#N)NCC(=O)N,0.2595 CN=c1nnn(nn1)C,0.1578 CC12OC(C#C)C1C2O,0.245 CC12CC3C(O1)C23O,0.291 OCC1CC11COCO1,0.3156 FC1=CN=CC(=N)O1,0.1647 COC1CC2C(C)N2C1,0.2904 CC12C(C#C)N1CC2=O,0.2147 CCNc1ccoc1N,0.2098 O=C1CC=CCC2CN12,0.2264 NC12C3N=C4NC1C4C23,0.1615 COCCc1cnoc1,0.2459 CC(O)C1CN1CCO,0.2988 CC12CC1N1N=CC=C21,0.2344 C#CCCc1cc[nH]c1,0.2495 CN=C1NN=NC(=N)N1,0.1706 NC1(CCCC=C1)C#N,0.2462 CC(O)C1OC(=O)C1O,0.2614 COC1(CO)CCC1C,0.3034 O=CC12OC3C1COC23,0.2111 CC1OCC=CC=C1,0.1901 CC1OC2(CC2)C1C#N,0.2629 OCC1OCC2(CC2)O1,0.3236 O=C1C2N3CC1C23C#C,0.2238 c1[nH]c(=O)n(n1)C(=O)N,0.2283 CNC1=NNN=CC1=N,0.1625 CC(C#N)C1C(C)C1O,0.3061 CC1CC(CO1)=NO,0.2501 CC1=COC(=N)N=C1C,0.168 c1c2c(c([nH]1)O)[nH]nn2,0.1734 CCC1NC11CC2OC12,0.3156 OC1CC2C1OC2=O,0.2808 C1CC1Nc2nnon2,0.1921 C1CC11OC2C3OC2C13,0.305 N=C1OCC1(C#N)C#N,0.2801 CCCOC(C)C1CC1,0.334 Cn1c(=O)cc(cn1)N,0.1801 CC1NC11COC1,0.3031 CC(C#N)C1CCCC1,0.3477 CC1C2CC2(O)C1CO,0.3026 CC1(CC#C)C2CC1O2,0.2931 CCC(=O)C(C)(O)C#N,0.2159 CC1OCCCCC1=O,0.2142 O=CCC1CC1C1CC1,0.2231 CC1(CC11CCO1)C#C,0.2753 CC#CC(=O)CC#C,0.2063 CC1OC2C3CC2(C3)O1,0.3269 N=C(OC=O)C1CO1,0.2439 CC1(CC=CC12CC2)C,0.2478 CC1=CCCCCC1O,0.2504 CC(=O)CC1(CC1)C,0.2252 N=C1NC2=C(NN=C2)O1,0.2162 C1OC11CC2CC2C=C1,0.2386 O=C1NC=CC1C1CO1,0.2129 O=C1COCC1C#N,0.2125 CC1C(=O)NC1(C)C#C,0.2696 CC1(CC1)c2ccon2,0.2413 CNc1c(cco1)C#N,0.2043 CCC(O)(C#N)C(N)=O,0.258 CC(C)C1CCC1(C)C,0.3495 CC(O)(C#N)C1(O)CC1,0.2926 C1CC12CCN2C(=O)N,0.2723 CC(C)C(O)CC=O,0.2315 CC1(COCC12CC2)C,0.3189 OC12COC1C=CCC2,0.2481 C1C2(COC2)OC(=O)N1,0.3098 OCC1=CC2CC1O2,0.2338 O=C1CC2CC2(O1)C#C,0.2593 CC1C2NC1C2(N)C#N,0.272 CC12C3C1C1=CCC2C31,0.1607 COC1=C(C)OC(=N)N1,0.2291 CC(=O)C12OC1C1NC21,0.1999 C1C2CCCC12,0.3524 O=C1CC2NC3CNC123,0.1864 CC(O)C1(O)CC(=O)C1,0.2203 CC1CC1(C)C1(O)CC1,0.3167 OCCC1OCC1C#C,0.2863 c1c(nncn1)C(=N)N,0.1675 [O-]C(=O)C12CC1C[NH2+]2,0.257 NC(=O)C1C2C3CN2C13,0.2503 COC(C)C(=O)C1CN1,0.2276 C1C2CC3CC1N23,0.2946 CC1(O)C2CN2C1=O,0.2216 CC1(C)C(C#N)C1C#N,0.2942 C1C2CCC3=CCCC123,0.242 CC1C2CN2C1=O,0.2338 C(c1nc(on1)C#N)O,0.206 C(=O)C(C=O)(C=O)C#N,0.2143 CN1C2C3(C)CC2(C)C13,0.2978 CNc1cnc(o1)O,0.2417 OC1(COCC1=O)C=O,0.1834 CC1CCN2C(C#C)C12,0.2567 CCC1(CC1)C1OC1,0.3453 OCC1=CCC2COC12,0.2555 OC1C2C3OC1C=CC23,0.2305 OC1COC(OC1)C#C,0.2917 CCCC#CCOCC,0.2844 N#CCC12COC1CN2,0.2601 O=C1CC2(CC2)C2NC12,0.2128 CC(C)C1C(C#N)N1C,0.26 OC1CC1C1C2CC1C2,0.3029 CCC1COCC11CC1,0.3253 CCC1NC1C(=O)CO,0.2272 c1c(c(c(nn1)N)O)O,0.2061 CNC(=O)NCCC#N,0.2933 OC12CC1(C#C)C1OC21,0.2612 CC12OC1CC=C2C=O,0.1876 OC1CC1(CC#N)C=O,0.226 CC1C2OC(=O)C12N,0.2459 C(C#N)C(CO)(CO)O,0.3103 CCn1c(=O)oc(n1)C,0.2389 OC1COC1C#CC#N,0.2245 N#CC1=NCC2CC2O1,0.2258 CC1OCC(=C1)C#C,0.2051 C1C(OC=N1)(C=O)C=O,0.1941 CC1OC(C)(C)C1C=O,0.2181 CC(C)CC#CC(=O)N,0.2341 OC1C(O)C2C3CC3C12,0.2961 CC12CCN=C1NC=N2,0.2281 CC1C(C)C1CC1CO1,0.3417 CCC1=CC(=O)CC1,0.1938 CN1C2C3C4OC2C1C34,0.3127 CNC(CO)(C#C)C#N,0.2663 NC12CCC1(C#N)C2O,0.2638 CC(CO)CC(C)C#N,0.3133 CCC1(C)C2C3OC1C23,0.3023 CC(=O)NC1CC1O,0.2692 CCC(=N)NC(=O)CO,0.2369 CNc1ccoc1C#C,0.1773 OC1COCCCC1=O,0.2174 CC1OCC2C1C2(C)O,0.3177 CC1[NH2+]C2(CC12)C([O-])=O,0.2577 N=C1OC23COC2CC13,0.2744 CC1OC(CO)C11CC1,0.309 CC1=CON=CC1=N,0.1819 O=CNC1COCC1=O,0.1966 C(C=O)Oc1n[nH]nn1,0.2271 C1C2NC3=NOC=C3C12,0.222 c1c[nH]c2c1C(=O)OC2,0.2254 CC#CC1(COC1)C#C,0.2768 CC12OC3C4CC1N4C23,0.2675 CCC1N2CC1(O)C2C,0.3098 CC(C)(C)C(C)(C)C=O,0.2234 O=CC12CN1CC2C#N,0.2153 CCNc1cc(on1)C,0.2223 CN=c1c(cnc[nH]1)O,0.1762 CC1CC(C=O)=CC1O,0.189 C1OC11CCC=CC1,0.2685 O=CC1CCC(=O)OC1,0.223 C1CN2C3C4C(C23)N14,0.2721 C1CC1C1C2CC1OC2,0.3171 CC1(CN1)C(=N)OC=O,0.2479 OC1CC2C3NC2C13O,0.2827 CC1C2C=CC(C#N)N12,0.2252 CC(=O)C(O)C1CC1O,0.2313 N=C1OC2C3OCC1C23,0.2586 c1c(c([nH]n1)N)N(=O)=O,0.1728 N=C1OCC2CC1C=C2,0.2443 C1CC1C12CC3C(C1)N23,0.3169 CC12OCC3(O)CC1C23,0.2938 CC1C=CCNC1=O,0.2521 CC1C2CC1C=CC=C2,0.1779 C#CCOC1=NCCC1,0.2792 OC1=NC=CC(=N)C=N1,0.1524 CC12CC=CC1C1CC21,0.2635 O=C1OC2(CC2)C2CC12,0.2639 C#CC(=O)CCN1CC1,0.1799 CCCC(C)(C)CC#C,0.31 N#CC1CN2CC2CN1,0.2499 O=C1CCCC2NC2C1,0.2243 NC1=NC(=[NH2+])[N-]C(F)=C1,0.2222 CCC(=O)CC1(C)CO1,0.228 CC1CC2CC2(O)C1O,0.3056 Cc1ccoc1CCO,0.2345 C#Cc1c(ocn1)CO,0.2138 C1CC23NC2CCOC13,0.3197 COC1(C)C2CC2C1O,0.3146 C1OC2COCC1O2,0.3291 CN(C)C(=O)C(O)C=O,0.2119 CC1COCOC1C,0.3388 CC(C)C1CC=CCO1,0.2671 COC(C)C(F)(F)F,0.352 c1c(c(cnn1)O)O,0.2031 CCCC(C#C)C(C)O,0.3021 CC1CC23CCC12CC3,0.2918 OC1C[NH2+]CC1C([O-])=O,0.2736 CC1C(=O)C=CC11CN1,0.1904 NC(=O)N1C=COC1=N,0.2228 CC([NH3+])CC#CC([O-])=O,0.2251 OCC1OC2C(O)C2O1,0.3002 Cc1c(c(oc1N)N)O,0.2138 CC(C=O)C(C)C1CC1,0.2279 OC1CC2CC1C21CO1,0.3305 CC1OC(=N)C2(C)CC12,0.2807 O=C1CCC2(CN2)C=C1,0.1867 O=C1C2COCC1C=C2,0.2309 CNC(=N)C1(CO1)C#N,0.2222 Cc1c(c(ncn1)F)O,0.2154 CC1CN1C1=NON=C1,0.21 N#CCNC1C2COC12,0.2554 COC1(CC1)C(O)C=O,0.2161 O=C1NC2C(N1)C2C#C,0.2637 CCC1CC(C)C(C)O1,0.3181 O=C1CCOCC11CO1,0.217 CC1(C)C2CC3C2N13,0.3239 CN1CC(O)CC1C=O,0.1876 CC(CO)OCC#C,0.2848 CC(C#C)C(CO)C#C,0.2951 O=CC1C2CCC1C2=O,0.2007 CC(C)COCCO,0.3351 CC#CCn1cnnn1,0.265 CC1CCN1C(=O)C=O,0.1725 CC1(CNC(N)=O)CO1,0.3033 N#CC1CC2=CCCC12,0.2457 CC1C2CC=CC1CO2,0.2558 CNC(=O)N1CC1C#N,0.2724 OC1(COC1=O)C1CC1,0.2585 CC12OCC1(O)C2O,0.2653 CC1(C)C(C#C)C1C#N,0.271 CC12CC3(C)CC1C23O,0.2952 COC1C2OC2C1(C)C,0.3178 CC1CC(=O)NCC=C1,0.2461 OC1CN(C=O)C(=O)C1,0.2162 CC1(CO)C=CC2OC12,0.2466 CCC1OCCN2CC12,0.3061 C#CCOc1c[nH]cn1,0.2278 CC(O)C1OCCC1O,0.3057 c1nc(nnn1)OC=O,0.1658 CC1C(OC1(C)C)(C)C,0.3081 CC1C2C3C4N3C2C14C,0.3036 CCC1C(O)C2CC12C,0.303 O=CC12CCC1C2C#C,0.2137 [O-]C(=O)C1C2CC[NH2+]C12,0.2657 C1CC(C1)OC(=O)C#N,0.2452 CC1CC2OC(C1)C=C2,0.2473 CC1C2(O)CCC12C#C,0.2524 CCCCCC(O)C#C,0.2974 C(C=O)OC(=N)NC=O,0.2092 O=C1CC=CC1N1CC1,0.2103 C(=O)NC(=O)N,0.242 COC1C2OC2C1C#C,0.2789 CCC1(O)CC=CC1,0.2681 CC1CC2CC(C1)O2,0.3144 CCC1=CC(C)CC1O,0.2574 CC1COC1(C#N)C#N,0.2611 COC1OCC(CO)=C1,0.2616 CCC#CC1OC1CC,0.2738 C1OC23C1CC1C2OC31,0.2862 CC(=NO)CCO,0.2523 OC1C2CC3(CCC13)C2,0.3327 CC(O)CC(C)(C)O,0.3167 CC(=O)CN1C2CCC12,0.2273 COC1OCCC2NC12,0.3106 CC12C3COC1C(O)C23,0.304 CC1CCC=CCC1O,0.253 O=C1COC2C(C#N)C12,0.2153 CC1(CN1)C(=O)OC=N,0.2324 CCC#Cc1nc[nH]n1,0.2229 CC1(CN2CCC12)C#N,0.2587 CC(O)C1(CO1)C1CN1,0.3184 O=CC1OCC(=O)O1,0.2157 COC1C(C)OC1C#N,0.2746 CN1C2C3C1C2C3(C)O,0.2809 FC1=NC(=N)N=C(F)O1,0.2361 O=C1CC2CN2C1C#N,0.2026 COC1C2NC1C(C)=C2,0.222 CCN=C(C=O)N1CC1,0.163 CCCc1cnc(o1)C,0.2363 CC#CC1OC2COC12,0.26 CCC1(C)C2OC1C2O,0.301 OC1C2CCOC2C1=O,0.1943 CC12C3C1C1CC3C21O,0.2955 CC12OCC(C=C1)C2O,0.2302 CC(=O)C1CC(O)C1,0.2165 CC12CC1C=CC21CO1,0.2385 CC#CCn1ccnn1,0.2572 CC(O)(C#N)C#CC#C,0.222 NC1=NC2C3CC2(C3)O1,0.2743 OCC1OCOCC=C1,0.2586 C1C(=O)NCC12COC2,0.2711 CC1(CC#N)OC1CO,0.2998 CCC(C#C)C(O)CO,0.2984 Cc1c(c[nH]n1)OC=O,0.2455 CC(C)(CO)C#CC#N,0.245 CC1=CC2(CO2)CCC1,0.2464 CC(NCC#N)C(N)=O,0.2541 Cn1ccnc1OC,0.2454 Cc1ccc(c(c1)O)N,0.1987 Cn1cc(cc1OC)N,0.2269 CC1(C(=NO)CO1)C,0.2469 CC1COC(C)C1(C)O,0.3127 COCC(=O)C(O)C#C,0.2245 CC12CC(CO1)OC2=N,0.273 CCC1(COC1=N)NC,0.2548 CCCNc1cc[nH]n1,0.2245 c1c(cncc1F)C#N,0.2054 CN1C2C3C2N2CC1C32,0.257 c1c(n[nH]n1)N=CN,0.2017 CCC1COC1,0.3194 OCC1OCCN=CO1,0.2598 CC1(NC1C1CN1)C#C,0.2666 CC(C1CCC1)C(C)=O,0.229 CN1C2CC1C(=O)OC2,0.2375 C#CC1=CCOCOC1,0.2088 CC1C(OC1=N)C#N,0.2763 CC(CC=O)(C=O)C#N,0.205 COC1CNC1=O,0.2566 CC(C#C)C1(CN1)C#C,0.274 CC1(C#C)C2CCC1O2,0.3042 CNC(=O)COCC=O,0.2092 COC(=O)CC(O)CO,0.2722 CCC1C2CCC2C1=O,0.2138 CCCC(CC)C(N)=O,0.2737 C1OC2C3OC22C1NC32,0.2077 COCC1(COC1)C=O,0.2211 O=CN1C2CC=CCC12,0.2554 c1cc(oc(=O)c1)C=O,0.1541 CC1=C(C)N=CC(=N)O1,0.1546 c1c(n[nH]n1)C(=O)CO,0.2031 O=CC1C2CC3C(C2)N13,0.2247 ON=C1CCC1(O)C=O,0.209 O=CC1CC2OC2CO1,0.2263 C1NC11CC2CC3C1N23,0.3016 CC#CCOC1CC1C,0.2812 CC1NC(=O)COC1=O,0.2554 N=C(C=O)N1C2CC1C2,0.1746 CC1CC(C)C1C,0.3575 CC1=CC2CN2C1C=O,0.1907 CC1C2CCC1(C)OC2,0.3091 C(C=O)n1nc(nn1)N,0.1943 COC1(CC2CC12)C#C,0.2858 [NH3+]C1(CC1)C([O-])=O,0.2701 CC(=O)NC(=N)C=O,0.1894 OC1C2C3C1C(=O)C23O,0.236 OCC12OCC1CC=C2,0.2561 FC1=NC(=N)ON=N1,0.1649 C1C2NC3=C(C=NN3)C12,0.228 c1c(c[nH]c1N)N,0.225 CCC1(CO)CC2OC12,0.307 O=CC#CC1=NCCN1,0.1484 CN1C(=O)CC12CC2,0.2671 OCC#CCCOC=N,0.2743 O=C1C2CCC1C21CC1,0.2285 OCC1C2CC1(N2)C=O,0.1911 CC1NCC2=C1N=CO2,0.2213 O=COCC12CC1CO2,0.2621 OC1COCCNC1=O,0.2526 CC1C2N(C)C1C2=O,0.2483 CC12CN1C(=O)N1CC21,0.2387 OC1C2CC3C(O)C2C13,0.315 Cc1c(cnc(=O)[nH]1)O,0.1552 C1CC=C(C1)NC=O,0.2118 Cc1c(c(=O)ocn1)N,0.167 c1c(nn(n1)C=O)O,0.1996 C1COC(O1)CCCO,0.335 CC(O)C1CC1OC=O,0.2799 c1c(ncoc1=O)C=O,0.1667 CC1OC1(C)C(C)(C)C,0.3317 CC1(C#N)C2C3CN3C12,0.2571 NC(=O)C1C2CC1C2O,0.2645 CC1=C(CC2(C1)CC2)C,0.2545 CC12CC1NC(C2)C#N,0.253 CC1OC=NC11CCC1,0.2658 CC12C3CN1C(=O)C2O3,0.2084 CCCc1c[nH]nc1,0.2583 C1COC(O1)C#CCO,0.2733 c1c2c(c[nH]1)C=CCC2,0.1998 OC1C2C3CC1C=CC23,0.2417 NC(=O)C1(N)COC1=O,0.2333 CC(C)OC=O,0.2863 CC1CC2(CO)OC12C,0.323 OCCCC1NC1C=O,0.2218 C1OC1C1C2C3CC1N23,0.3195 CN=C1OCC2(C)NC12,0.2566 CNC1=CC(=O)CNC1,0.1941 CC1C=CC2(O)CCC12,0.2585 C1CC12CC(=O)N2,0.2768 O=C1NCC2C(C#N)C12,0.2583 N#CC1(C#N)C2CNC12,0.2465 NC(=O)C1CCN1C=O,0.2464 C#CC12CC3OC1C3N2,0.2637 CC1N2C3C4CCC13C24,0.3053 N#CC12CCC1=CCC2,0.245 CC12CC1N1CC1C2,0.3096 CCc1n[nH]c(=O)o1,0.2473 CN1CC1C(=O)C1CN1,0.1949 OC1CC=CC2CN2C1,0.2282 N#CC1=CC2CCC1N2,0.1969 OC12CC1OCCOC2,0.3155 N#CC12C3CC1CC2C3,0.2973 COCC1C2OC(C)C12,0.3211 CC12C3CC1C1CC3C21,0.326 CCn1cc(c(n1)N)C,0.23 ON=C1CC2(CC2)C1O,0.2443 C#Cc1[nH]cc(n1)CO,0.1997 C(=O)c1[nH]c(=O)[nH]n1,0.1637 CC(O)C(C)C1CC1C,0.3267 CCC1CC1C1(O)CC1,0.3162 CC1(C)OC=NC2CC12,0.253 CC#CCC(O)C1CO1,0.2987 OC1C2C3CN2C13C=O,0.2037 N#CCC1C=CC2CC12,0.2463 CCCOCCCC=O,0.2301 CC(C)c1c(c[nH]n1)O,0.233 OC1C2CN3CC=C1C23,0.1958 OC1C2C3NC2C13C#N,0.2633 O=CC1C2CC2OC1=O,0.2253 CC1=C(N)C=NOC1=N,0.1578 OCCOC1CCCO1,0.3416 CC1(COC1)NCC#N,0.2687 OCC1(CN2CC2)CN1,0.3009 CC1C(C)N1C(=N)C#N,0.2021 Cc1cn(cn1)CC#C,0.2377 N#CC1CC2C3CC2C13,0.3425 CC1C2NC1(C#C)C2=O,0.2388 C1C2C3OC3CCCN12,0.302 CC12COC(C=O)C1N2,0.2205 O=C1CCN1CC1CO1,0.2776 N=COC1COCC1=O,0.1993 CC1(O)CC2C1OC2=O,0.2777 Cn1cnc2c1con2,0.196 OC(C=O)C1=COC=N1,0.206 CC1C2C=C(CO)CN12,0.2264 CC1OC1(C)C1CC1,0.3506 [NH3+]CC1=C([O-])OC(O)=C1,0.1555 CCOC(CO)C1CC1,0.3175 CC1(NC1CC=O)C=O,0.2022 CC1OCC2C3OC1C23,0.3059 OCC1CNC(CO)=N1,0.2465 CC(=O)NC(=O)CC=O,0.2086 N#CC1C2CN1CC=C2,0.2261 O=CC12COCC1CO2,0.2062 CN=c1occ(o1)C=O,0.1643 CN=C1NN=CC(F)=N1,0.1486 CCC(CO)CCO,0.3361 CC12OCCC1N1CC21,0.2991 CC1=CCC2(CC2)OC1,0.2634 CC#CC#CCN1CC1,0.2207 CC1=C(F)C(=O)N=NO1,0.1666 CCC1CC1C#CC,0.2823 OCC12CC1CC(=N)O2,0.2742 O=C1C=C2NC3CN1C23,0.1703 CNC(=O)C1NCC1=O,0.1962 CCN1CC(C1)(C=O)O,0.1777 COC1=NOC(=N)N=C1,0.1549 CC1=NC(=CO1)C1CO1,0.2354 C1C=CC(=O)CC1=NO,0.1828 C#CCC12C3C4C(C13)N24,0.2598 N#CC1C2C3CCC1C23,0.3027 CC(C#CC#N)C1CC1,0.2444 CN1CC(N)(C#C)C1=O,0.2408 NC1C2CC(N2)C1C#N,0.2701 COC1OCC2(C)CC12,0.3473 C#CC1C2C3C=CC2C13,0.2246 CC12OC3C4C3C1C24,0.3172 CCC(=O)C1CC1(C)C,0.2301 OC1CC2(O)CC1(O)C2,0.3068 COC(C)C1CC2OC12,0.3272 C1CC2(CC3CCC23)O1,0.3037 CC(C#C)N(C)CC=O,0.1986 CC1OCC2N3CC12C3,0.2899 O=CC1CC2COC1C2,0.2208 CC(C#N)C(O)C#N,0.3082 C1CC2NC2CO1,0.3125 C1C=CC2C3C4C3C2C14,0.2547 C(C#N)C(=O)C#N,0.2126 CC12OC3C(C13)C2CO,0.2934 CC(C=O)C#CC(N)=O,0.2122 Cc1c(cnn1C)N,0.2274 COC1C2CC2CC1=O,0.1999 ON=C1CCC2C(O)C12,0.2393 O=C1CNC23CC12NC3,0.189 C1CC#CC=CCOC1,0.1983 CC1CCOCC(O)C1,0.3149 OC1C(=O)C2CCC12O,0.2114 CC(O)CC(O)C(C)C,0.3073 C1CC12CC(C2)(CO)O,0.3201 OCC1CC2(OC12)C#N,0.2742 NC1=C(N)OC(=N)O1,0.2395 CC12CC(CO)=CC1N2,0.2309 CCC(=O)C(=N)N,0.1974 CCOC1COC(=N)O1,0.3107 [NH3+]C[C-]1OC(=O)C=C1,0.1739 C1C2CC11COCCC21,0.3379 COCC1OC1CC#C,0.3054 C1OC23COC2COC13,0.3152 Cc1c[nH]c(n1)C=O,0.1815 COC1(C)CCC1C=O,0.2262 Cc1cc(c([nH]1)C)O,0.2208 C[NH2+]C1CC1C([O-])=O,0.2729 CC1(COCOC1)C#N,0.3145 C1CC(O1)C1=CCCC1,0.247 CC12OC1C1(O)CC2C1,0.3195 CCC12CC(CC1)C2C,0.3584 c1cc(oc1)NC(=O)N,0.2322 Cc1c(c(n[nH]1)O)C#N,0.2285 N=COC1=CC=CO1,0.2226 CC1C2C3C1N2CC3=O,0.2057 CC1C2CC2(CO)C1O,0.3159 CCOC1(C)CC1(C)O,0.3157 CC1CC11C2OC1C2C,0.3115 COCC1COC1C=O,0.2107 O=CC1(CC2OC12)C#C,0.2165 CC(O)C1=NOC=C1,0.248 CC12CC3(CN3)C1N2,0.313 CC(O)CC1(C)CC1,0.3253 CC12COC1(C)C(=O)O2,0.2497 OC1CC11CCCC1,0.3314 CCC(C#N)C#CC=O,0.2032 N=C1NC=COC1=N,0.175 CC1CC1(O)CC#N,0.2968 c1c(onc1N)C=O,0.1706 OCC1=CC(O)CC1,0.2577 CC1(C#N)C2OC2C1O,0.294 O=C1CCC2CC12,0.2264 Cc1ccnn(c1=O)C,0.1765 CCC(O)C(O)CO,0.3207 CN(C(=O)C#C)C(=O)N,0.2138 C#CCC1OC1C#N,0.2672 COC1C2CN2C1=O,0.2164 O=C1CC2(N1)C1CC2C1,0.284 CCCC(=NO)COC,0.2584 COC1OC2CC1C=C2,0.251 C#CC1=NCC(N1)C#N,0.2073 CC1C2C3C(CN2C)N13,0.2769 N=C1OC2(CNC12)C#C,0.245 CC12CC=C(C=O)C1O2,0.1887 CC12C3C1C1(C)C2CN31,0.2952 OC(C=O)C1OCC1O,0.2125 CC#CC1(C)CC2OC12,0.2874 COC1(C)CC1C(C)=O,0.2311 C1CCCOC=NCC1,0.2576 CCOC1C=CCC1O,0.2633 N=C1CC2=C(N1)N=NO2,0.1759 CC(=O)OC1CC2CC12,0.2796 C#CC12CC1CCOC2,0.2883 O=COC1CNC(=O)C1,0.2522 CC1OC2(CC2)C1=O,0.2174 COCC1COC(=O)C1,0.2779 CCOC=NCC#C,0.2716 CC1(OCOC1=N)C=O,0.2223 O=CCC#CCC1CO1,0.2207 CCC1CC1(OC)C#N,0.291 COC1CC(C)C1C#C,0.2888 CC1C2CC2C=C1CO,0.2436 C1OC2C1C1CCCC21,0.31 CC12NC1(CO)CC=C2,0.2346 CC(C)C1C(O)C1O,0.2798 CC12OC1CC21COC1,0.3176 N=C1OC(=O)NN=C1,0.1941 NC(=O)N1C2CCC12,0.2674 Cc1cc(n(c1)C)C,0.2409 CCc1coc(n1)NC,0.2337 CCC1CC(=O)C(C)O1,0.2192 OC1C2C3C1=CCC23O,0.1839 O=C1CC2C(C12)N1CC1,0.2301 O=C1COC11CC2OC12,0.2124 CCC#CC1(C)CN1C,0.2606 OC1C2NC2C2CC12O,0.2974 CNC(C#N)C(O)C#N,0.2709 CC12CC1C(=O)COC2,0.2127 CCC(C)C(O)COC,0.3254 C1C(CO1)(CNC=O)O,0.2476 OCC12CC1CC(O)C2,0.3244 C1C2N1CC21CC1,0.3055 CCc1[nH]cc(n1)OC,0.224 c1c(c([nH]n1)N)N2CC2,0.2335 CCCC1C=CCC1C,0.261 NC(=O)N1C=NNC1=N,0.2152 CC(C)C12OC3C1CC23,0.302 CC1NC(C#N)C2NC12,0.2674 CC1(CCC#N)CN1,0.2961 c1cn[nH]c1C#CCO,0.2061 COCC1=CCOC1C,0.2504 CCC(=O)COC=NC,0.2212 Cc1c(ocn1)N,0.2398 CCC1(CC1)C(F)(F)F,0.3821 C1C2CC3OC1C23,0.3127 NC12CCC1OC2=O,0.2497 CC(CC#C)C(C)(C)C,0.3124 CC12C3OC1C3CC2O,0.2973 c1c(c(c(cn1)N)F)N,0.2045 C1CC23OCCC2OC13,0.3014 CCC1CC1OC(C)=O,0.2793 CC12CC3C(C1)C(=O)C23,0.2283 CC1COCC1CCO,0.3162 N#CC12C3CC4C1N4C23,0.2579 CC1(CN1C=O)C,0.2533 CCC1(C)C(C#C)N1C,0.2555 O=C1CC23CCC2C1O3,0.2154 Cc1coc2c1occ2,0.2011 Cc1cnc(cc1F)N,0.2049 OC1CC2CCC(C1)O2,0.3038 CN=C1C(=CC(=O)N1)N,0.1726 OCC12CCOC1C2O,0.3148 CC12CCC1(O)C1OC21,0.318 O=CC1CN=C(N1)C#N,0.2012 OC12CCC3C1C2C3=O,0.234 CC1OC11CC2(C)NC12,0.2996 CC1CC(O)CCC=C1,0.2583 N=C1NC2CC2N1C=O,0.2293 C#CC1CCOCOC1,0.3063 O=C(C#N)C1OCC=C1,0.1707 Cc1cc(c([nH]1)C#N)O,0.1987 CC12CN1C(C#N)C2O,0.2595 O=C1C2CC1CC=CC2,0.2186 O=C1C2CN2C11CCC1,0.2175 NC(C#N)C12CC(C1)C2,0.2812 CC12OC1COC2C#C,0.2865 C1CC12C=CC=CCO2,0.1817 c1cnc(nc1)N(=O)=O,0.1898 C1CC2(C1)C(=O)OCO2,0.2697 Cc1c(nc([nH]1)C#C)C,0.1941 CCOCC(F)(F)F,0.3485 CC1CCC11OC1CO,0.3226 CC12CC3CC(C=C1)C23,0.2494 CC1(C)CCOC1C#C,0.2922 COC(C#N)C1CC1,0.303 NC1=C(C=NO1)C1CO1,0.2235 CCC12OC(C1O)C2=O,0.2257 c1coc(c1C#N)N,0.2094 C1CC2CC(CC=C2)O1,0.2563 CCC1(C)OC1(C)C,0.3342 CCOC(C)(C)C#C,0.2973 CC1=NC(C)(CO1)C#C,0.2691 O=CC12CN3C(CO1)C23,0.201 CN(C)CC(=N)NC=O,0.2207 OC1COC(=N)C2CC12,0.2706 CC12CCC1C1NC21,0.3014 CC1CC(=O)OC1=N,0.2626 CC(=O)CC#CC1CO1,0.2272 COC12CC3C1C2C3O,0.3187 O=C1COCC2(CO2)C1,0.218 CCC1CCCCO1,0.331 C1C2C1C1C2CC11CO1,0.3035 CCC(C)CC1CCC1,0.3599 CCOCC(C)(O)C=O,0.2236 CC1=CC2NC2(C)CC1,0.2364 NC(=O)CC12CC1CO2,0.2718 C1CC1C1OCC=C1,0.2517 CC(C)(CCO)OC=O,0.2742 C#CC1(CC1)C(=O)CO,0.2319 CC12OC1C=CC2=O,0.1716 CC(C)(C)c1ccno1,0.2455 Cc1c(c[nH]c1C=O)N,0.1588 C#CCC#CCC(=O)N,0.2704 COCC(C)(C)OC=N,0.2846 c1c2c([nH]c1N)nn[nH]2,0.1951 COC=NC1CC(=O)C1,0.2203 NC1=CNC=C1OC=N,0.214 CC1CN2C3C2C(=O)C13,0.2181 COc1ncc(cn1)F,0.1967 CC(=O)NC1CC1CO,0.2692 Cn1c(c([nH]c1=O)N)O,0.2311 CC#CC1C2CC1N2C,0.2641 Cc1cc2c([nH]1)OCC2,0.2243 Cc1cc(cnc1F)O,0.1999 CC(O)C12CC1(O)CC2,0.3154 OC1C2C(CC12O)C=O,0.2237 C#CCC1(CC1)CC#C,0.3078 CC1(C(=CCO1)C#C)C,0.2044 C(C#N)OC(CO)CO,0.2775 COC(=O)CCNC=O,0.2681 N=C1OCCCCO1,0.2943 C1CC(=O)C(=O)CNC1,0.1679 CC1C2CC(=O)CC1O2,0.223 Cc1c(nc[nH]1)N2CC2,0.2377 CCC(=O)c1c[nH]cn1,0.2078 CCOCC(C)C#C,0.3131 OCC1CN1CC#N,0.2765 COC(=O)C1CCN1C,0.2301 CCCN1CC(C1)C#N,0.258 OC1CCC2OCC12O,0.3068 O=C1CN2CC(=O)CC12,0.1946 OC1C2C3CC(=O)C1C23,0.2222 CCC12NC1C1CC21C,0.2738 OC1CC2(CN2)C2NC12,0.3104 CC12CC1C(=O)NC2=O,0.2303 CC1OC1C1OCC=C1,0.2487 CN1C=CC(=N1)C1CO1,0.2472 C1C(=O)CN1C(=O)CO,0.2113 CC12C3COC1(C)CN23,0.3097 OCC1(OCC1=O)C#N,0.2146 CCCC(O)C(=O)C#C,0.1985 N#CC1N=C2CC3C1N23,0.1941 N=C1OC=C2CC=CN12,0.1801 C1C2OC3CN1C2C=C3,0.2082 OCC1OC(=N)C2CC12,0.2749 OC1CC2NC(=O)NC12,0.2803 COC12CC3C1C3(C)C2,0.3183 CCC#CC(=O)C1CN1,0.1984 C#CCCCNC(=O)N,0.2964 CCN1CC1C#CC,0.2614 CC1(O)C2NC1C2C#N,0.2826 CC(=O)C1(O)CC1C#C,0.2165 c1c2c(on1)C(=NC2)N,0.1965 COC1C2CN2C1=NC,0.2433 N=C1C=NC=CN=C1,0.166 Cc1cc(n[nH]1)CC#C,0.2559 CN=c1cnocc1N,0.152 C(#CC#N)C#CC#N,0.1744 COC1C2OC1C(C)=C2,0.2378 NC(=O)C1CC1CC=O,0.2262 CCC1OC1CCO,0.3378 c1nc(nc(n1)F)C#N,0.2059 CC(C)(CC(=O)C=O)O,0.1533 CC1(NC(=O)C=C1)C#C,0.2132 CNCc1nnn(n1)C,0.2029 CC(OCC1CN1)C#N,0.2709 C1CN(C1)C(=O)N,0.2894 c1c2c(on1)CCN2,0.1964 OCC1C2CC(=NO)C12,0.2429 CC1=CC2(C)CC1(C)C2,0.2355 c1cnc(c(c1N)N)O,0.2074 C1C=Cc2c(non2)N1,0.175 CC1(O)C2CN2C1(C)C,0.2948 NC1=CC(=O)CC1CO,0.2079 CC1(COC1)C2CCC2,0.3156 CC1CCOCC11CN1,0.3082 O=CC#CC#CC1CO1,0.175 COC12CCC3CC1C23,0.329 CC1C2CC1(O)C(=O)N2,0.2652 NC(C#N)C12CC1CN2,0.2585 OC1CCOC2CC12,0.3145 COC1CCC2CC1C2,0.3263 CC#CC(=O)C(=O)C#N,0.1531 COC1CC2CN2C1=O,0.2149 CC1CC2OC1C1NC21,0.3096 C1OC23CC=CC2NC13,0.2295 CC(C=O)N=CNC=O,0.2125 COC1CC=CC(C)O1,0.2653 CC12NC3C1C2OC3=O,0.2374 Cc1c(oc(n1)C)CO,0.2295 COCc1ccn[nH]1,0.2583 OC12COCC1N1CC21,0.3005 C(CO)N=COC=O,0.2383 COC(=O)CCOC=O,0.2806 CC12CC3(C)C4C1N4C23,0.3006 CCC1CN1CCOC,0.3119 c1cocc1NCC=O,0.1745 COC1CC(=O)C1C,0.2211 COC12CC1C=CC2C,0.245 CC12CC(C1)OC=N2,0.2656 OCC(CC#N)C1CO1,0.3066 CCC1OCC11COC1,0.3079 CC1(O)C2C3C4C3C1C24,0.308 CCN=C1OC(C)C1O,0.2723 OC1COC1C1CC1,0.3065 Cc1cc(on1)C(C)C,0.2482 CC(=N)Nc1cnoc1,0.2116 CN(C)c1ccno1,0.2182 CC12C3COC1C(=N)N23,0.2406 CC(N)(C[NH3+])C([O-])=O,0.2677 c1coc2c1CCC2=O,0.1945 COC1C=CCC1O,0.2631 CC#CC1CC1OC=O,0.2478 CC1CC(C=O)C2CN12,0.2109 OCCC1=CC(=N)OC1,0.2143 Cn1c(c(c(n1)O)N)N,0.2435 CC1C(C)N2CC(=O)C12,0.1974 CC1OC1C1=CCCC1,0.2408 N#CC1CCC=C1C#N,0.2224 CC1C2OC(N)=NC12,0.269 CC1COC(=O)C(C)N1,0.2356 CCC1(CC)CC2NC12,0.3048 CC12CC1OCCCO2,0.3178 COc1c(c[nH]c1N)N,0.2243 CC1CC2C1OC2=O,0.2799 N=C1OCC2OCOC12,0.2657 CC1CC2C1C2(C)C#N,0.3127 OCC1(CO)OC1C=O,0.2153 OC1CC2CC1C2C#C,0.3028 CCN=C1OCC1CC,0.2769 C1C2C1C13NC21CC=C3,0.1952 C1OC2C1C21CCCO1,0.2873 CC1C(=O)C2OC12C#C,0.2059 CC(=O)n1ccnc1,0.1976 CC1CC2(CO2)C1(C)O,0.3177 OCC12CC3(CC3)C1O2,0.3236 C1C=Cc2c1[nH]c(=O)o2,0.1709 O=CC1NC1CN1CC1,0.2125 CC1CCC=CC1C#C,0.2622 CC(O)C12CC3C1N3C2,0.2952 CC12CC(C3CC13)C2=O,0.2345 CNc1coc(=O)[nH]1,0.2372 CC1=CC(=O)CN(C1)C,0.1751 OC1CCC1(C=O)C#N,0.2115 CN1C=CC=CNC1=O,0.1706 CC1N2CC2CCC1=O,0.1987 CCNC1CC1(O)C#N,0.239 CCC(=O)N1C2CCC12,0.2451 O=C(C#C)C12CC(C1)N2,0.1823 OC1COC(C1)OC=O,0.2775 C1CC2COCC3C1N23,0.302 CC(C)c1[nH]ccn1,0.2515 COC1(C)CCOC1C,0.3204 C#Cc1[nH]c(cn1)C#N,0.1869 CC1OC(=N)CC=C1C,0.2569 Cc1cnc(n1C=O)O,0.1661 CCOC(CC)CC#N,0.2915 CC(C)(C#C)OC,0.2972 c1c2c([nH]cn2)[nH]n1,0.2287 N#CC1NCC2NC12,0.268 CC1CC2CC=CCC12,0.2614 CC(CC1CO1)N1CC1,0.3095 COC1(C#N)C(N)C1N,0.2373 c1c(ocnc1=O)C#N,0.1786 ON=C1C2CC2C2OC12,0.2299 OC1C2CN3CC3C12,0.2789 CC(C)N1CC1(C)CO,0.297 CC1CN2N=CN=C2C1,0.2668 c1cc(c(=O)cnc1)N,0.1437 N=C1NC23CC(C2)OC13,0.2594 CC1(CC#N)CC=CC1,0.2647 O=C1CC=C2CCC2C1,0.2231 CC1C2NC2(C)C2CN12,0.3199 CCNc1c(nc[nH]1)O,0.225 c1c(nnn1CC#N)O,0.2199 CC1(CNCC1=O)C#N,0.1941 O=CC(=O)C1NC1C#C,0.1605 CC1CN2CC2CC1=O,0.2125 CC1NC(=O)CC1C#C,0.2695 N=C(C#N)N1CC(=O)C1,0.2019 COC1C2C3CC3(O)C12,0.3192 CC12OCC1C(O)C2=O,0.1928 CN1C2C3NC3C2C1=O,0.2602 [O-]C(=O)C1[NH2+]CC11CC1,0.2625 O=CC1=CC2COC2C1,0.1909 CC1C2CC3CC2C13O,0.3208 CCC(=O)C1(O)CC1O,0.2108 CC(=O)C1C2CCC1O2,0.2165 [NH3+]CCC(O)CC([O-])=O,0.2791 CC1(C)COC1C(N)=O,0.2626 CC(C=O)C#CC(C)=O,0.2033 [NH3+]CC1NC1C([O-])=O,0.261 c1c(c(no1)C=O)N,0.1552 CC1(CC2CC12O)C=O,0.2256 C[NH2+]CC(=N[O-])C(C)=O,0.1213 COC12CC1COC2C,0.3325 CC12CC3(O)C=CC1C23,0.2378 c1c(oc2n1ncn2)N,0.2265 NC(=O)NCCOC=N,0.2758 O=C1C(OC11CC1)C#N,0.2175 C1NC2COC1C1NC21,0.2863 OC12C3CC=C1C=CC23,0.1729 OC1C2C3NC3C12O,0.2787 CC1C(=O)C(O)C1(C)C,0.2235 CC12OCCC1CC2O,0.3058 CCN1C(C)C1CO,0.2798 CC1=CC2OC1(C)C=C2,0.1999 CC12NC1COC2C#N,0.2768 CC12OC(N)=NC1C2O,0.2653 CCC1CC2CC12,0.3391 CC12OC1C1C(C#C)C21,0.2624 COCC1OC2CCC12,0.3124 N=C1CC=C2CCC2O1,0.249 CC1=NC(=N)OC(N)=N1,0.1974 CCCCCC#N,0.3523 CC12CC3C(C13)C2C#N,0.2931 CC#CC(C)CC(C)O,0.2997 CC12CC1CC(C)(C)C2,0.3349 OCC1=CCC(C1)C#C,0.2595 CC1(C)C2CC(C2)C1O,0.3364 CCC1=C(N)OC(=N)N1,0.2206 OC1(C2CC2)C2CC1O2,0.2932 COC(C=O)C(O)C=O,0.1998 C#CC12CC1C=CC2,0.2433 CN1C(C=O)C1C#N,0.1961 CN1C2C3OCC2(C)C13,0.2891 COC(CO)C(C)C=O,0.2168 CC12NC1C1OC=NC21,0.2596 C1C=CCN1CC#N,0.2348 O=C1NCC2C3OC1C23,0.2469 c1cc(=O)oc(c1N)F,0.1546 CCC1(O)COCC1=O,0.2137 COC1COC2CC12O,0.3046 COCC1NC1C#CC,0.2777 O=C1C=CC2C3CC2C13,0.1801 CC1CC1C1C(C)C1O,0.3083 N=C1NC23CC4C2OC134,0.2444 OC(C=O)C1CCCO1,0.2193 OCC1=CCCN2CC12,0.2369 CC#Cc1c(con1)N,0.1908 COC(CO)C1NC1C,0.2967 O=C1COC(O1)C1CO1,0.2761 CC1C(C)C2(C)OCC12,0.3074 CC12C(O)C1CNC2=O,0.2722 CC1(COC1=N)N1CC1,0.2663 CC(C)OC1OCC=C1,0.2611 O=CC12CN1CC21CO1,0.2031 CC1(C#C)C2CC1C2O,0.2833 COC12CC1(C)OC2,0.3063 N#CC12CC(C1)C21CO1,0.2946 CC1(OCC11CO1)C#N,0.2859 O=CN1C2C3C2C2C3C12,0.2564 CC1(CC1C#C)C1CC1,0.2842 [NH3+]CC#CC#CC([O-])=O,0.1065 CC12CN1C(C)(CO)C2,0.2955 O=C1CC2CC(CO2)N1,0.2669 CN1CCN(C1=O)C=O,0.2379 N#CC1CC=CCN1,0.2495 N#CC12NC1C1CC2O1,0.2646 c1c(c(c[nH]1)NC=O)N,0.2165 OC1CC1C1=CN=CO1,0.222 CCN=c1n(cno1)C,0.219 CC12CC3C=CC1CN23,0.2223 COC1C2CC(C)OC12,0.3027 CC(=O)C1=CCCCC1,0.1971 C1CN=COCC(=O)N1,0.2409 C1C2C3C4C5C(C5N14)N23,0.278 CC1C=CC2NC12C#N,0.2432 CC1OC1C1=CNN=N1,0.2436 Cc1ccnc(=O)[nH]1,0.1802 CCC1CC2C3CC1C23,0.3342 CC1OC1C(O)C1CN1,0.2881 CC1OCC(CO1)(C)C,0.3304 CC1CC11COC1CO,0.303 CCOC1COCC1C,0.3179 Cc1c(=NO)cnon1,0.1698 CNc1cnoc1OC,0.2069 CN1C2COC(C)(C)C12,0.2973 COC(=O)C1COCO1,0.2663 Cn1cccc1C#N,0.2076 Cc1c(n[nH]n1)C(=O)N,0.2249 C1OC2C3CCC12CC3,0.3241 Cn1cccc(c1=O)N,0.1687 CC12CC1N1C2CC1=O,0.2318 N#CCC12CC3CN1C23,0.2861 CC12CCC(C)(OC1)O2,0.3263 Cc1c([nH]cn1)NC=O,0.1956 C(=O)Nc1nc(on1)N,0.2266 COC1C2C3CN=C1N23,0.1913 C#CCCc1ccc[nH]1,0.2376 CC1C2CC3CC2C13C,0.346 Cc1c(n(nn1)C)C#C,0.208 OCC#CC1CC2OC12,0.2738 CCC12NC1CC2=NO,0.239 C1C2C1C1COCCC21,0.3166 c1c(con1)NCCO,0.2076 CCC12C(C)N1CC2=O,0.2157 CC1(CN1)C#C,0.2885 CC1=C(F)C=NC(=N)O1,0.1547 CN1CCN(C=O)C1=N,0.2168 C1C=CC23OC12C1OC31,0.2384 Cc1ccc([nH]1)N,0.2317 CC#CC1NC1C,0.2773 CC(C)(CNC=O)CO,0.2817 CC1C(O)C(=O)N1C=O,0.2092 COC1C2CC(C)=CC12,0.2384 OCC1CN(C=O)C1=O,0.2167 CN(C)c1cc[nH]n1,0.2189 OC1CCC2C3CC3C12,0.3056 CC(C)C1C2C3OC3C12,0.284 OC1C2OCC12C#N,0.2694 CC1C2CC1(O)C=C2,0.2405 N#CC12C3CN=C1OC23,0.1593 NC12C3NC3C1OC2=O,0.2473 C#CC1C2NC1C21CO1,0.2871 CC1CC2(CO2)C2CC12,0.3313 CC1C2(CC2)OC1(C)C,0.3015 N=C1OC(=O)CC11CC1,0.263 C1C2C3C4OCC(C13)C24,0.3276 C#CC1C2C1C1CC2O1,0.2898 C1CC1n2c(=O)[nH]nn2,0.2165 CC(NC1(C)CC1)C#N,0.2736 O=C1C2CC2N2CC12,0.2109 N#CC12CCC1C=CC2,0.263 CC1CC2OC2(C)C1O,0.3238 CCC1COCC1(C)C,0.3115 C#CC1CCCCC=C1,0.2535 CC(=NO)C1C2CC1C2,0.2526 CC1(C)OC2CC12C#N,0.2706 COCc1cnncn1,0.1657 CCC(=O)N1CCC1,0.2685 CCC1(C)C2C3CN3C12,0.2797 COC(C#C)C(C)(C)O,0.302 N#CC12CC3CCC1N23,0.2616 O=CN1CC2CCC1C2,0.2688 CC1(C)C2C(O)C2C1=O,0.2237 c1cnoc1OC2CC2,0.2361 NC(=O)N1CCC1CO,0.2797 CC12COC1C(=N)O2,0.2631 CCC1CCCOC1C,0.3192 c1cocc1CCC=O,0.2047 CC1N(CC=C1C)C=O,0.2455 CC12CCC(CC1=O)C2,0.2228 CC1NC2C(O)C2C1=O,0.2124 C1OC1C12OC3CC1C23,0.3015 CC(C)(CNCC#N)O,0.2696 FC1=COC(=N)C(F)=N1,0.158 CC1CC1C1=CON=C1,0.2376 CC1=CCC2(O)COC12,0.2518 C1CC1C1CCCO1,0.3257 N#CCC12CC3OC1C23,0.2725 CC12C3C1C1OC3C2=C1,0.1949 O=C1CCC2C3C1CN23,0.2074 O=C1OC2CCC2O1,0.3347 NC(=O)OCC(O)CO,0.2865 OC1CC(C2CO2)C1O,0.3185 CC12CC=CC3CC1C23,0.2555 CCn1ccc(c1N)O,0.229 c1nc(c(=O)on1)CO,0.1682 CC1(O)CC1C1CC1,0.3225 OC12C3CC1=CCC23,0.1739 CCCC1(CC1O)OC,0.3204 CC(C)Nc1cc[nH]c1,0.223 CN1CC(C1)(C(=O)N)O,0.2495 CC12COCCC1O2,0.3372 CC(C)CC(C)C(N)=O,0.2775 OC1CN2CC12CC#C,0.2768 CC(O)C1=C(N)NN=C1,0.2376 CCC12CC1(O)CC2C,0.3182 CC1(NC1CCO)C=O,0.2272 C1C2CC3OCC3C12,0.3225 O=C1CCC(N1)C1CC1,0.2736 N=C1OCCC2CCC12,0.2767 CC1OCCCOC1=N,0.2772 C(C=O)C(=O)NC=N,0.2188 Cc1cn2c(c1C)CC2,0.2483 N=COC12CC3OC1C23,0.2492 CC(O)C12CC(O1)C2=O,0.2397 COCC1COCC=C1,0.2649 C1OC2C3OC12C=C3,0.2259 CCC1C(C)C(O)C1C,0.3056 N=C1NN=CC(=O)C=N1,0.1468 CC(CO)C1C(C)N1C,0.2852 NC(=O)C1COC1=O,0.2539 N#CC1CCC=C1,0.2654 CCC1N2CCC12C=O,0.2093 CCC1C2CC1C(=N)O2,0.2856 CC(O)C1COC1,0.3064 OCC1C=CC2CC12O,0.2456 C#CCCc1n[nH]nn1,0.2359 O=C1CC(CC#C)CO1,0.2772 CN=COCC(C)C#C,0.2734 CC(=O)c1c(nno1)O,0.1692 CCC1C2C=CC1C=C2,0.2171 CC(O)C12CC(CC1)O2,0.3135 CC1C(O)CC11CC1,0.3203 CCCCc1nc[nH]n1,0.2679 COCC(C#C)C#CC,0.2907 CC(C)(C)C1OCC=C1,0.2453 NC1=NNC(F)=NC1=N,0.1903 CC(O)C1=NNN=C1,0.2507 c1cc(oc1C2CC2)N,0.211 CC([NH3+])C1=C([O-])C=NO1,0.1535 CCc1c(c(n[nH]1)C)N,0.2312 CCCC(OC)C(N)=O,0.2649 CCN1CC2(C1)OC2C,0.2977 COCCNC(=O)CO,0.2768 OC12CC3C4C(OC13)C24,0.305 CC1C(=O)OC2CC12O,0.268 C1CC2NC2COC=N1,0.2651 CC(C)CC1CC2CC12,0.3321 CC1(CC#C)CCO1,0.2897 c1cc([nH]c1)CCCO,0.2422 CC1NC1C(=O)C1CC1,0.2188 CC12NC1CC2C1CO1,0.2981 CC1COC(=N)NC=N1,0.2337 CC1NC2COC12CO,0.2822 CC1=CC(=N)C=C(F)O1,0.2029 CCC(CN1CC1)C=O,0.2253 COC1COC2CCC12,0.3146 CC1(C)CC2OC(=O)C12,0.2772 CC1OC11CC(C1)C#C,0.3029 CC1C=CC2CC(=O)N12,0.2416 CC1CC2(O)C(C)OC12,0.3018 CC12COC(O1)C1CC21,0.3321 CNc1c(c(n[nH]1)O)O,0.228 C1C2(CO1)COCO2,0.3151 CC(O)C1=CCCC1C,0.2547 CC1CN1C1=CC=CO1,0.22 CCN1C(=N)C=CC1=O,0.173 CC1=CC2(CN2)C2NC12,0.2245 CC1CC2NC(=O)OC12,0.3072 OCCCC1CCCO1,0.3219 Cc1c(nn[nH]1)NC=O,0.224 C#CC(=O)COC(=O)N,0.2056 NC1COC2=NNN=C12,0.219 CC(O)(CO)C(F)(F)F,0.3254 CC1C2CC(=O)CCN12,0.2073 C#CCOc1c[nH]nn1,0.2243 C1OC2C3CC12CO3,0.2797 CCCCOC(=N)CO,0.2968 CCC1CCC(C1)C#N,0.3449 CC1CCC1(C)CCO,0.3385 CC1CCC=CC11CC1,0.2519 CC(CC#C)(C=O)C=O,0.1953 Cc1cnc(oc1=O)F,0.1953 CC1NCC(N)=CC1=O,0.1934 N#CC1C2C3CCC1N23,0.2741 CC1(C)OCC2CC12,0.3292 CN(C(=N)C#N)C(=O)N,0.1995 CC(CC=O)C(C)=NO,0.2282 CC1(C)NC1(CO)C#C,0.2683 OC(C#C)C1CCC1=O,0.2165 NC(=O)CC1CCC=C1,0.2639 CC(O)C(N)=NCC#C,0.259 C1C=CC2NC3C1OC23,0.2386 FC(F)(F)C1=NCCN1,0.235 CCC1CCCC=C1,0.2642 CC1OC=NC2CC12O,0.2479 N#CC1CCCCCN1,0.2679 C1CC1(CO)C#CC#N,0.2262 Cn1ccc(c1CO)N,0.2109 CCC1=CC(C)CC1C,0.2566 CCC1(CC(O)C1)OC,0.3188 CC1C2NC=NC12C#N,0.2445 c1cc(c(=O)oc1)C=O,0.161 Cc1c(cccn1)O,0.2113 CC(C)(C)C1(COC1)O,0.3085 CC1OC2C3OC3C2=C1,0.2263 CC1CC=CC(C)=CC1,0.1944 c1c(oc(n1)N)NC=N,0.1936 CC1N2CC1(C2)OC=N,0.2703 CC1OC(CC1=O)C#C,0.2167 C#CC1OCCCC=C1,0.2465 CCOC1(CC1O)C#N,0.2745 CCOCC1(CO1)C#C,0.2835 C#CC1=C(CCN1)C=O,0.1536 CCC(=O)C1OCC1C,0.2143 CC1(CO)C2NC2C1=O,0.2148 c1c(nncn1)C=O,0.1492 C1C2CC3CC3C=CC12,0.2523 c1cnn(c1CO)C=O,0.2068 CCC1(NC1C#N)C=O,0.2208 Cn1c(c(nc1O)O)O,0.2309 [NH2+]=CNCC1=N[N-]N=N1,0.1478 CC#CC(O)C1CCC1,0.285 OC12CC(C1)OC2,0.302 C#CC12OC1CC1NC21,0.2634 OCC(O)C1CC(O)C1,0.3144 O=C1CN=C2CC3C1N23,0.2093 C(c1c(c(n[nH]1)O)O)O,0.2254 C1C2OC3CCC3C12,0.3032 CCOCC1CO1,0.3407 c1c2n(nn1)C(=O)OC2,0.2284 COC12CC(C)C1C2C,0.3177 COCC1OC1CO,0.3345 COCC1CC1CC=O,0.2251 CC1N2CC2(C)C1=NO,0.2321 CC1CCC(C)C(=N)O1,0.2777 CCOC(=O)C#N,0.2473 N#CC1CNC1C1CN1,0.2673 CC(C)C1N=COC1=O,0.2422 Cc1[nH]nnc(=NC)n1,0.1667 CC12CC(CO)(O1)C2O,0.3207 CC(=O)c1ncnn1C,0.2013 CC12CC1C(CC#N)C2,0.2998 CC(C)(CO)C1CC1,0.337 C1CCC(C1)CC#N,0.3502 c1c(c(n[nH]1)O)C=O,0.2045 OC1CC(C1)C#CC=O,0.2038 CC1OC(=N)CCC=C1,0.2591 C#CC1(CCC1)N2CC2,0.2756 CC1C2C=CC(O)CN12,0.221 CCC(C)(C)COCC,0.3272 CC(=O)OC1CC1C=O,0.2271 O=C1C2OC2CC2OC12,0.2041 CC(=N)N1C=CCC1=O,0.2052 Cc1ncccc(=O)n1,0.1614 CC1(CCOCC1)C=O,0.2212 CC12C3CC1N3C2C#C,0.2619 C1C2N1C13CCC21OC3,0.2591 CC1N2CC2CNC1=O,0.2528 c1cc2n(c1N)CCN2,0.2274 OCCC1C2CC1(O)C2,0.3369 OCC1NC(C#C)C1O,0.2575 CC(C=O)C1CC1O,0.2049 CC1CCC(OC1)C#N,0.289 CC12CC(CC#N)(C1)C2,0.3379 CC12C3CC1CCC23,0.3293 Cc1ccn(n1)CC=O,0.2013 C1C2C3CCOC1C23,0.3231 NC(=O)C#CC(O)CO,0.2332 Cc1cnncn1,0.17 CC1=CCC2(CO2)C1=O,0.1861 CC12CC(C1)C=C2,0.2391 N#CC1CCC2CC2N1,0.2619 Cn1ccc(c1O)CO,0.2301 CC1(C)C2C3OCC3N12,0.271 CN1CC1CN1CC1,0.3075 C1C2OCCC3CCC123,0.3294 c1cnoc(=O)c1C#N,0.165 c1c2c(ncn1)non2,0.1622 CC12CCOCC1N2,0.3146 CC1C2CN2C1CCO,0.3097 C#CC12OCC1C1OC21,0.2528 c1c(c(c(=O)on1)N)F,0.1689 NC1=COC(=N)C(=N)O1,0.1853 CC12CC(N1)C2(C)C#N,0.2769 CCC12C(C)N3C1CC23,0.3046 CCC1CC(C)(O)C1=O,0.2164 CC(=O)CN1CC1C#N,0.231 COC1C2N3CC2(C)C13,0.3076 CC12OC(=O)C1C2O,0.2752 C1CNC=CC(=O)NC1,0.205 CCc1c(con1)N,0.2167 CCC1C2CC(C#C)C12,0.2982 CC1C2C3OC3(C)C12O,0.3139 CC1(N)C(C#N)C1C#N,0.2559 CC1=NC(=N)ON=C1F,0.1613 O=CC(C#C)C1COC1,0.2108 COCCC(C)C#N,0.3018 CC(O)C1(O)C2COC12,0.2935 C1C23CCC12OCO3,0.2977 CC#CCCC(=O)CO,0.2262 C1CC23CCC=C2CC13,0.2402 CN=COCC1(CC1)O,0.2449 CC([NH3+])C1=NOC=C1[O-],0.2144 CC12OC1(C)C1CC21,0.3257 CC(C#C)C1CCC1O,0.3138 N=C1OCC2C3CC1C23,0.2762 O=CC1(OC1C#N)C=O,0.1864 CN1C=NC2CCN=C12,0.22 CC1C=CCC1(N)C#N,0.2604 CC1CC2C3OC1C23C,0.3027 CC1C(O)C(O)C=C1C,0.2542 CC12COCC3CC1N23,0.316 c1c(nco1)C2CC2,0.24 CC12C3OCC1C=CC23,0.2291 CC1OC2OCC1C2=O,0.2073 OC1COC11CC(=O)C1,0.2156 CC12NC1C(O)C2C#N,0.2813 CCC12CC1C1OC21,0.2906 CC(C)COC(=O)CO,0.2744 OC12CCC1CC2C#N,0.2898 CC(O)COC(=O)C#C,0.2267 CCC(O)CC(=O)OC,0.2811 CCC1(N)COC1=O,0.2504 CCC12CC3C1C(C)N23,0.3122 O=C1NC2CCC2O1,0.3149 C1C2OC22CC1OCC2,0.3258 O=C1COC1C#C,0.2149 CC1C([NH3+])C1CC([O-])=O,0.2726 C1C2C3CC4C(CN24)N13,0.2815 C1C2COC3CCOC123,0.3196 C1OC2C3OC=NC2C13,0.2356 CCOCCCOCC,0.3348 OC1CC=C(C=O)C1=O,0.1611 OCCC1C2C3CC3N12,0.2779 CCC1CCOC(C)C1,0.3293 CCC1C2CCC1C=C2,0.2573 OCC#CC1CC1C#C,0.2584 NC1C2CC(O)C12C#N,0.2517 CC1NC(=[NH2+])C1C([O-])=O,0.1802 N#CC1CC2CCCC12,0.3291 Cc1cc[nH]n1,0.2689 O=C1CCCNC1C#C,0.1943 CC1CC2CN2C(=O)N1,0.2849 C1C2C3OC4C1C4OC23,0.2583 CC1OC2(CC12)C=O,0.2191 CC12C3OC3C1(O)C2O,0.2947 OCC1C(O)CN1C=O,0.265 CC1(O)CCCCC1O,0.3171 C1C2CCOC3CC3C12,0.3015 C1C=C(C(=O)O1)C(=O)N,0.1899 NC(C#N)C1=NC=CO1,0.2394 O=CC12C3C4C3C1CC24,0.2131 CC1OC1C1C2CCC12,0.3315 CCn1nc(nn1)C#N,0.2442 C#CCn1ncc(n1)N,0.2166 COC12CCC(CC1)C2,0.3156 CC1COC(C1)C(C)=O,0.2175 OC12CC1CC21CCO1,0.2961 CC12CN1C1(CC21)C#C,0.2426 COC1CCCCC=C1,0.2561 CC1(C)CC(N1)C#N,0.2695 Cc1cnc(nc1F)N,0.2021 CC(=O)C12COC1C2O,0.2204 C#CC1C2OCC=CC12,0.2349 O=CNC12CC3CC1C23,0.2635 COC1C2CC(O)C12,0.3215 CC1C2OC1C2CO,0.3031 CC1NC2(CC1C2)C#N,0.2665 COC1CCC1OC=O,0.279 CC12C=CCC1OC2=N,0.2551 CCNC12CC1OC2=O,0.2363 CC1CC2CCC(C2)C1,0.3606 OC1CC2OCC12O,0.305 CC#CCC(O)C#C,0.2731 CC(OCCC#C)C#C,0.2925 OCC1=CCC2OC2C1,0.2628 C1CC1NC(=O)CC=O,0.2205 OCCCOC(=N)CO,0.2967 Cc1c(=O)cnn(n1)C,0.179 CNC(=O)C1C2CCC12,0.2659 CC1(CCC1O)C#C,0.2941 C1C=CC2C3C4C(C13)N24,0.2381 c1c(nn[nH]1)NC(=O)N,0.2237 CN=C1OCC2C(C)C12,0.2673 C1COc2n1nc(n2)O,0.2485 CN=C1ON=CNC1=N,0.2003 C(C1CN1)C1=COC=C1,0.242 CN1C2CCC2=CC1=O,0.2068 CC#CCC1COC1C,0.2957 CC12CC1C(O)C2(C)O,0.3118 CC1OCCC(=O)CO1,0.2129 OCCC12CN1C1CC21,0.2911 CC(O)CC(=O)N(C)C,0.2667 CCCC1(CC1)COC,0.3308 O=CNC1CC1C=O,0.2247 CCNc1cc(oc1)N,0.2222 CC1C2N3C1C(=O)C23C,0.2338 c1nc(nc(=O)o1)CO,0.1885 c1c2c(on1)COC2,0.2295 CC1C=CCC(=O)C1O,0.2137 CC1(CC#C)CC1CO,0.3085 CCc1cc[nH]c1C,0.2397 CC1(CC(=[NH2+])N1)C([O-])=O,0.247 COCC(C)CCO,0.3312 C1CC12CC(=O)CC=C2,0.2168 COC1C2C(=N)OC12C,0.2729 OCC1(O)CC(C1)C#N,0.3021 CCc1c(c(n[nH]1)C)C,0.2528 CC12OC3C1C2OC3=N,0.2421 C#CC12C3CN4C(C13)C24,0.2532 C1CC11C2OCC3C2N13,0.3172 CC1CC2(C)OCC12C,0.3131 CC#CC12CC3C1N3C2,0.2631 C1C=CC23C4C5C(C24)C135,0.2157 C#Cc1cc(on1)N,0.2022 O1C=C2C=NC=C2C=N1,0.1497 CC(CC#N)C1(C)CN1,0.2869 [O-]C(=O)CC1CC2[NH2+]C12,0.133 OC1C2CC1(C2)C#C,0.2857 OC1CCC2C1C1CN21,0.2883 N#CC1C2CNC1CN2,0.2667 C1CC2OC(C1)C1NC21,0.2983 OC1CNC(=O)C11CO1,0.2521 CC(C=O)C12CN1CC2,0.2156 CCc1cocc1C#N,0.2199 OCC12C3C1C1CC3C21,0.3071 N=C1C=CC=NNC1=O,0.1617 OCCOC1CCC=C1,0.265 CC12N=COC1C2CO,0.2533 Cn1c(nc(=O)cn1)N,0.1873 NC(CCO)C(F)(F)F,0.3334 CN1CC(=O)C12CCC2,0.2007 OC1=C(O)N=CC(=N)O1,0.1315 CC1C2(O)CC2C11CC1,0.316 Cc1c(c[nH]n1)C#N,0.2404 N=CN1CC(=O)CC1=O,0.1947 Cc1cncoc1=O,0.1936