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zincid
stringlengths 16
16
| smiles
stringlengths 9
103
| dockscore
float64 -75.5
443
| hac
float64 5
25
| id
stringlengths 12
12
| scaffold
stringlengths 5
102
⌀ | mwt
float64 249
375
| clogp
float64 -5.5
8.95
| tpsa
float64 0
233
|
|---|---|---|---|---|---|---|---|---|
ZINC000000000777 | CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)O | 0.33 | 21 | SCB-21191833 | O=C(COc1ccccc1)N1CCSC1 | 329.048857 | 2.4835 | 66.84 |
ZINC000000000781 | CSc1ccccc1OC[C@H](O)CNC(C)C | -37.02 | 17 | SCB-10275008 | c1ccccc1 | 255.1293 | 2.1462 | 41.49 |
ZINC000000000792 | Cc1ccccc1N1CCN([C@H]2CCc3cc(O)ccc3C2)CC1 | -30.37 | 24 | SCB-48307342 | c1ccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 | 322.204513 | 3.38012 | 26.71 |
ZINC000000000797 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | -4.08 | 24 | SCB-39705757 | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 327.110673 | 3.0539 | 84.86 |
ZINC000000000802 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | -34.75 | 25 | SCB-92124721 | c1ccc(C[C@@H]2NCCc3ccccc32)cc1 | 345.157623 | 2.5531 | 80.18 |
ZINC000000000803 | CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1 | -31.09 | 20 | SCB-15035912 | c1ccc(OCn2cncn2)cc1 | 293.093104 | 3.1243 | 57.01 |
ZINC000000000807 | CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C)N(C)C[C@@H]1C | -31.62 | 20 | SCB-43836451 | c1ccc(C2CCNCC2)cc1 | 275.188529 | 3.1952 | 29.54 |
ZINC000000000811 | COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC | -26.23 | 20 | SCB-11513824 | O=C(c1ccccc1)N1CCOCC1 | 281.126323 | 1.1848 | 57.23 |
ZINC000000000817 | COc1cc(C(=O)N[C@@H]2CCCNC2)cc(OC)c1OC | -22.8 | 21 | SCB-70952186 | O=C(N[C@@H]1CCCNC1)c1ccccc1 | 294.157957 | 1.1942 | 68.82 |
ZINC000000000829 | COc1cc2c(cc1OC)[C@@H](C)N(CCc1ccc(N)cc1)CC2 | -43.04 | 24 | SCB-32858959 | c1ccc(CCN2CCc3ccccc3C2)cc1 | 326.199428 | 3.4478 | 47.72 |
ZINC000000000838 | O[C@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 | -22.31 | 20 | SCB-91196354 | c1ccc2c(c1)c1c3n2CC[C@@H]2CCCN(CC1)[C@@H]32 | 268.157563 | 2.8451 | 28.4 |
ZINC000000000842 | C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F | -20.65 | 25 | SCB-11235449 | c1ccc(C(Cc2ccncn2)Cn2cncn2)cc1 | 349.115045 | 2.1769 | 76.72 |
ZINC000000000843 | CN(CCO)C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | -39.23 | 22 | SCB-37930593 | O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | 311.159354 | -2.2813 | 105.52 |
ZINC000000000844 | Cc1cccc(OC[C@H](O)CNC(C)(C)C)c1C | -44.58 | 18 | SCB-98960585 | c1ccccc1 | 251.188529 | 2.43124 | 41.49 |
ZINC000000000846 | COc1cccc(O[C@H](C)CNC(=N)Cc2cccc(C)c2)c1 | -39.3 | 23 | SCB-11001201 | N=C(Cc1ccccc1)NCCOc1ccccc1 | 312.183778 | 3.58049 | 54.34 |
ZINC000000000848 | COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 | -25.79 | 21 | SCB-78094653 | O=C(N[C@H]1CN2CCC1CC2)c1ccccc1 | 309.124405 | 1.7548 | 67.59 |
ZINC000000000853 | COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1 | -44.12 | 19 | SCB-20802607 | c1ccc(C2CCCCC2)cc1 | 263.188529 | 2.6346 | 32.7 |
ZINC000000000855 | CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 | -27.48 | 20 | SCB-83425817 | c1ccc2c(c1)Cc1ccccc1N1CCNC[C@H]21 | 264.162649 | 3.0839 | 6.48 |
ZINC000000000857 | Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 | -32.14 | 20 | SCB-69644738 | c1ccc(C[C@@H]2NCCc3ccccc32)cc1 | 271.120843 | 2.2329 | 72.72 |
ZINC000000000865 | CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1 | -32.03 | 20 | SCB-71872805 | O=C(Oc1ccccc1)c1ccccc1 | 271.084458 | 2.5698 | 75.63 |
ZINC000000000869 | CC(=O)Oc1cccc(OC(C)=O)c1OC(C)=O | -20.19 | 18 | SCB-48794023 | c1ccccc1 | 252.063388 | 1.4625 | 78.9 |
ZINC000000000883 | CC1(C)C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21 | -31.7 | 21 | SCB-26916877 | O=C1Cc2cc3[nH]c(-c4ccncc4)nc3cc2N1 | 278.116761 | 2.8546 | 70.67 |
ZINC000000000889 | CC(C)/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O | -18.78 | 19 | SCB-23389364 | C=c1[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O | 256.121178 | 0.3285 | 65.72 |
ZINC000000000909 | Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1 | -0.38 | 19 | SCB-54103149 | O=C(c1ccccc1)c1ccccc1 | 255.089543 | 2.1269 | 80.39 |
ZINC000000000910 | Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)O | -11.12 | 19 | SCB-21209368 | c1ccc(-c2ccsn2)cc1 | 288.018033 | 3.1093 | 76.21 |
ZINC000000000913 | NC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 | -21.21 | 20 | SCB-97854613 | O=S(=O)(c1ccccc1)c1ccccc1 | 291.067762 | 1.5922 | 115.28 |
ZINC000000000928 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | 26.19 | 22 | SCB-84485234 | O=c1c2ccccc2oc2ncccc12 | 298.095357 | 2.745 | 106.42 |
ZINC000000000931 | Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 | -16.62 | 22 | SCB-99349341 | c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2 | 313.09819 | 3.4292 | 36.86 |
ZINC000000000941 | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 | -30.64 | 22 | SCB-84192884 | c1ccc(Cn2cncn2)cc1 | 293.164046 | 2.92876 | 78.29 |
ZINC000000000950 | CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1 | -30.4 | 20 | SCB-27647028 | O=C(Nc1ccccc1)c1ccccc1 | 270.100442 | 2.6571 | 67.43 |
ZINC000000000954 | COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 | -44.28 | 19 | SCB-20123938 | c1ccc(C[C@@H]2CCCN2)cc1 | 265.131408 | 0.5021 | 67.79 |
ZINC000000000961 | C=C(C(=O)OC1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 | -44.6 | 20 | SCB-95397472 | C=C(C(=O)OC1C[C@H]2CC[C@@H](C1)N2)c1ccccc1 | 271.157229 | 2.8682 | 29.54 |
ZINC000000000969 | Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl | -29.01 | 19 | SCB-87600899 | c1ccc(Cn2cnc3cncnc32)cc1 | 277.053051 | 2.2493 | 69.62 |
ZINC000000000975 | Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1 | -33.55 | 19 | SCB-80615222 | c1ccc(C2(Cn3cncn3)OCCO2)cc1 | 299.022832 | 2.4847 | 49.17 |
ZINC000000000984 | CCN(CC)C(=O)CSc1ccc(Cl)nn1 | -24.98 | 16 | SCB-29202150 | c1ccnnc1 | 259.054611 | 2.0905 | 46.09 |
ZINC000000001000 | O=C(O)COc1nn(Cc2ccccc2)c2ccccc12 | -8.81 | 21 | SCB-86793897 | c1ccc(Cn2ncc3ccccc32)cc1 | 282.100442 | 2.548 | 64.35 |
ZINC000000001003 | CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1 | -33.44 | 23 | SCB-16696366 | O=C(Oc1ccccc1)c1ccccc1 | 313.095023 | 2.7895 | 81.7 |
ZINC000000001018 | O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1 | -13.4 | 19 | SCB-83331957 | O=C(Nc1ccccc1)c1ccccc1 | 257.068808 | 2.3427 | 86.63 |
ZINC000000001020 | CN(C)C(=O)Oc1ccc[n+](Cc2ccccc2)c1 | -44.72 | 19 | SCB-10553493 | c1ccc(C[n+]2ccccc2)cc1 | 257.128454 | 2.0828 | 33.42 |
ZINC000000001022 | NS(=O)(=O)c1ccc(NCc2ccccc2)cc1 | -28.61 | 18 | SCB-88490696 | c1ccc(CNc2ccccc2)cc1 | 262.077599 | 1.9461 | 72.19 |
ZINC000000001023 | C[N+](C)(CCOc1ccccc1)Cc1ccccc1 | -46.61 | 19 | SCB-40949389 | c1ccc(C[NH2+]CCOc2ccccc2)cc1 | 256.169591 | 3.342 | 9.23 |
ZINC000000001043 | O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1/C=C/Br | -26.35 | 19 | SCB-25407170 | O=c1ccn([C@@H]2CCCO2)c(=O)[nH]1 | 332.000784 | -0.4571 | 104.55 |
ZINC000000001048 | CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1 | -44.3 | 19 | SCB-90855222 | O=C(NC1CCCCC1)c1ccccc1 | 324.083725 | 3.0517 | 32.34 |
ZINC000000001050 | CC(=O)Oc1ccc(Br)cc1C(=O)O | 16.42 | 14 | SCB-19410618 | c1ccccc1 | 257.952771 | 2.0726 | 63.6 |
ZINC000000001063 | O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1Br | -27.52 | 17 | SCB-66079178 | O=c1ccn([C@@H]2CCCO2)c(=O)[nH]1 | 305.985134 | -1.0602 | 104.55 |
ZINC000000001064 | Oc1c(Br)cc(Br)c2cccnc12 | -27.41 | 13 | SCB-77536611 | c1ccc2ncccc2c1 | 300.873788 | 3.4654 | 33.12 |
ZINC000000001067 | O=C(O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1 | -10.4 | 20 | SCB-93068112 | c1ccc(C2CCCCC2)cc1 | 294.102272 | 4.4352 | 54.37 |
ZINC000000001077 | CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21 | -7.61 | 22 | SCB-69814790 | O=C1c2ccccc2Cc2ccccc21 | 296.104859 | 3.1433 | 74.6 |
ZINC000000001078 | C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1 | -48.89 | 22 | SCB-10224476 | c1ccc(CCCNCCc2ccccc2)cc1 | 301.167794 | 2.7421 | 72.72 |
ZINC000000001081 | CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C | -25.24 | 19 | SCB-88882436 | O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | 267.133139 | -1.6008 | 85.29 |
ZINC000000001083 | O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1 | -36.12 | 21 | SCB-25413184 | O=C(/C=C/c1ccccc1)OCCc1ccccc1 | 284.104859 | 2.8969 | 66.76 |
ZINC000000001097 | COC(=O)Nc1cc(N2CC=CCC2)nc2nc(=O)on12 | -35.69 | 21 | SCB-24496237 | O=c1nc2nc(N3CC=CCC3)ccn2o1 | 291.096754 | 0.6271 | 101.97 |
ZINC000000001121 | O=S(=O)(/N=C(\O)NC1CCCCC1)c1ccc(Cl)cc1 | 2.11 | 20 | SCB-51681887 | O=S(=O)(N=CNC1CCCCC1)c1ccccc1 | 316.064841 | 2.865 | 78.76 |
ZINC000000001128 | CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1 | -41.85 | 19 | SCB-79579248 | c1ccc(NCc2cccs2)nc1 | 295.090996 | 3.3647 | 19.37 |
ZINC000000001136 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | -61.53 | 18 | SCB-11030800 | c1ccccc1 | 287.070451 | 2.86244 | 83.79 |
ZINC000000001153 | C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 | -40.92 | 22 | SCB-28388868 | c1ccc2c(C[C@H]3CC4CCN3CC4)ccnc2c1 | 294.173213 | 3.1646 | 36.36 |
ZINC000000001154 | C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc12 | -38.65 | 22 | SCB-12829860 | c1ccc2c(C[C@@H]3CC4CCN3CC4)ccnc2c1 | 294.173213 | 3.1646 | 36.36 |
ZINC000000001164 | CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(O)=C(C(=O)O)C1=O | 26.35 | 18 | SCB-49073926 | O=C1C=CC2=COCCC2=C1 | 250.084124 | 1.721 | 83.83 |
ZINC000000001167 | CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 | -23.32 | 23 | SCB-62509679 | O=C(NC(=O)c1ccccc1)Nc1ccccc1 | 335.083683 | 3.507 | 61.44 |
ZINC000000001181 | O=C1CN(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1 | -36.33 | 22 | SCB-37810863 | O=C1CN(/N=C/c2ccc(-c3ccccc3)o2)C(=O)N1 | 337.002097 | 3.1391 | 74.91 |
ZINC000000001184 | COC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1 | -34.95 | 21 | SCB-10621467 | c1ccc(-c2ccccc2)cc1 | 304.086622 | 4.3374 | 35.53 |
ZINC000000001188 | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 | -41.2 | 22 | SCB-37576416 | O=C(Nc1ccccc1)Nc1ccccc1 | 348.004403 | 5.6562 | 41.13 |
ZINC000000001195 | Cc1c(Cl)cccc1Nc1ncccc1C(=O)O | 2.53 | 18 | SCB-99131124 | c1ccc(Nc2ccccn2)cc1 | 262.050905 | 3.48522 | 62.22 |
ZINC000000001198 | Cc1cc(CC(=O)O)c(C)n1-c1ccc(Cl)cc1 | -1.29 | 18 | SCB-25866624 | c1ccc(-n2cccc2)cc1 | 263.071306 | 3.37464 | 42.23 |
ZINC000000001199 | NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O | -6.71 | 21 | SCB-35197335 | O=C1c2ccccc2CN1C1CCCCC1 | 328.064841 | 2.2759 | 80.47 |
ZINC000000001213 | COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 | -35.12 | 22 | SCB-29554849 | C1=C[C@@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3)[C@@H](C1)O5 | 299.152144 | 1.5011 | 41.93 |
ZINC000000001214 | NC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 | -32.26 | 24 | SCB-67606485 | c1ccc(Nc2ccccc2)cc1 | 338.087827 | 3.0911 | 81.42 |
ZINC000000001219 | O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12 | -32.71 | 20 | SCB-56130816 | O=c1oc2ccccc2c2oc3ccccc3c12 | 268.037173 | 3.1036 | 83.81 |
ZINC000000001241 | O=Cc1cc(Br)cc(Br)c1O | 8.61 | 11 | SCB-15355266 | c1ccccc1 | 277.857804 | 2.7297 | 37.3 |
ZINC000000001246 | Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1 | -36.87 | 24 | SCB-82027604 | c1ccc(N2CCN(CCc3nnc4n3CCCC4)CC2)cc1 | 325.226646 | 2.28752 | 37.19 |
ZINC000000001258 | C[C@@]12CCC3=C(CCc4cc(O)ccc43)[C@H]1CCC2=O | -26.42 | 20 | SCB-10044385 | O=C1CC[C@@H]2C3=C(CCC12)c1ccccc1CC3 | 268.14633 | 3.8712 | 37.3 |
ZINC000000001266 | C[C@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 | -40.78 | 16 | SCB-20552589 | c1ccc(OCC2=NCCN2)cc1 | 258.032668 | 2.7624 | 33.62 |
ZINC000000001271 | CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1 | -46.43 | 20 | SCB-98199343 | c1ccc2scnc2c1 | 293.156183 | 3.0829 | 28.6 |
ZINC000000001272 | CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 | -17.24 | 16 | SCB-29802473 | c1ccccc1 | 262.017891 | 0.6077 | 75.27 |
ZINC000000001275 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | -31.87 | 22 | SCB-71986155 | O=C1Nc2ccccc2Nc2ccccc21 | 295.168462 | 2.9763 | 26.79 |
ZINC000000001276 | NC(=O)c1cc(Br)cc(Br)c1O | 14.15 | 12 | SCB-42492240 | c1ccccc1 | 292.868703 | 2.0161 | 63.32 |
ZINC000000001281 | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl | -1.76 | 19 | SCB-29475205 | c1ccc(Nc2ccccc2)cc1 | 295.016684 | 4.3641 | 49.33 |
ZINC000000001301 | CN(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | -18.92 | 23 | SCB-11515975 | O=c1[nH]c(=O)c2c(ncn2Cc2ccccc2)[nH]1 | 313.153875 | 0.548 | 65.06 |
ZINC000000001323 | CCCN(CCC)S(=O)(=O)c1ccc(C)cc1 | -20.74 | 17 | SCB-10307198 | c1ccccc1 | 255.1293 | 2.80572 | 37.38 |
ZINC000000001342 | CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 | -32.52 | 24 | SCB-40574559 | O=c1cc(-c2ccccc2)oc2ccccc12 | 324.099774 | 3.4019 | 65.74 |
ZINC000000001356 | Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1 | -51.92 | 21 | SCB-55635846 | c1ccc(N2CCN(CCc3cn[nH]c3)CC2)cc1 | 304.145474 | 2.4382 | 24.3 |
ZINC000000001360 | O=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1 | -25.65 | 22 | SCB-63836152 | O=C1OC[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1 | 298.120509 | 2.6722 | 66.76 |
ZINC000000001368 | O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1 | -27.11 | 24 | SCB-91429726 | O=c1ccc2cc(O[C@@H]3CCCCO3)ccc2o1 | 340.079432 | -1.3227 | 149.82 |
ZINC000000001377 | CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C | -40.24 | 20 | SCB-47817634 | O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | 279.169525 | -0.2245 | 65.06 |
ZINC000000001378 | CCc1ccccc1-n1c(C)nc2ccccc2c1=O | -22.71 | 20 | SCB-64871491 | O=c1c2ccccc2ncn1-c1ccccc1 | 264.126263 | 3.25652 | 34.89 |
ZINC000000001379 | CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C | -28.39 | 21 | SCB-37744978 | c1cnc2[nH]ncc2c1 | 289.153875 | 2.4356 | 81.4 |
ZINC000000001395 | CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O | -31.71 | 23 | SCB-10917141 | O=C(NC[C@@H]1CCCN1)c1ccccc1 | 340.15537 | 2.8307 | 61.8 |
ZINC000000001409 | CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 | -34 | 18 | SCB-38683507 | c1ccc(-c2cncnc2)cc1 | 282.043902 | 3.1772 | 77.82 |
ZINC000000001412 | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O | -35.14 | 25 | SCB-21351542 | O=c1cc(-c2ccccc2)oc2ccccc12 | 344.089603 | 2.897 | 98.36 |
ZINC000000001418 | CN(C)CCCn1c(=O)c2ccccc2c2ccccc21 | -41.34 | 21 | SCB-19708833 | O=c1[nH]c2ccccc2c2ccccc12 | 280.157563 | 3.1064 | 25.24 |
ZINC000000001419 | Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 | -30.66 | 22 | SCB-21963303 | O=C1C[C@H](c2ccccc2)Oc2ccccc21 | 300.099774 | 3.12674 | 86.99 |
ZINC000000001425 | CN(C)CCN(Cc1ccccc1)c1ccccc1 | -40.84 | 19 | SCB-37399359 | c1ccc(CNc2ccccc2)cc1 | 254.178299 | 3.2548 | 6.48 |
ZINC000000001427 | O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1 | -17.14 | 19 | SCB-60423471 | c1ccc(-c2ccccc2)cc1 | 254.094294 | 3.4011 | 54.37 |
ZINC000000001430 | O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1 | 1.43 | 16 | SCB-68765420 | c1ccc(-c2nccs2)cc1 | 252.996427 | 3.0906 | 50.19 |
ZINC000000001436 | CN1CC(O)=N/C1=N\C(=O)Nc1cccc(Cl)c1 | -31.59 | 18 | SCB-54271787 | O=C(/N=C1\N=CCN1)Nc1ccccc1 | 266.057053 | 2.1298 | 77.29 |
ZINC000000001438 | NC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | -27.38 | 24 | SCB-63536522 | c1ccc(C(CCN2CCCCC2)c2ccccc2)cc1 | 322.204513 | 3.334 | 46.33 |
ZINC000000001448 | CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1 | -33.64 | 19 | SCB-41165265 | c1ccc(OCc2ncc[nH]2)cc1 | 279.067762 | 2.6292 | 70.19 |
ZINC000000001453 | O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 | -5.41 | 21 | SCB-67764578 | O=c1cc(-c2ccccc2)oc2ccccc12 | 280.073559 | 3.0871 | 67.51 |
ZINC000000001466 | O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO | -31.7 | 18 | SCB-21507099 | c1ccc(-c2ncc[nH]2)cc1 | 251.070619 | 1.5897 | 81.19 |
ZINC000000001482 | CNC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1 | -31.46 | 19 | SCB-10827705 | c1ccc(OC2CNC2)cc1 | 274.092912 | 2.1078 | 41.57 |