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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
|
|---|---|---|---|---|---|---|---|---|
ZINC000000001484 | Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O | -25.17 | 18 | SCB-10655686 | O=c1ccn([C@@H]2CCCO2)c(=O)[nH]1 | 260.08085 | -1.56628 | 104.55 |
ZINC000000001490 | Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O | 18.82 | 20 | SCB-59450164 | O=C(Nc1ccccc1)c1ccccc1 | 269.105193 | 3.25394 | 66.4 |
ZINC000000001505 | Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1 | -25.78 | 18 | SCB-10687057 | O=c1[nH]cnc2[nH]cnc12 | 255.096754 | -1.9709 | 139.28 |
ZINC000000001512 | CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1 | 4.72 | 19 | SCB-35663975 | O=S(=O)(Nc1nncs1)c1ccccc1 | 297.060569 | 2.6364 | 71.95 |
ZINC000000001514 | Cc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1 | 9.48 | 20 | SCB-28341679 | O=S(=O)(N=CNC1CCCCC1)c1ccccc1 | 296.119464 | 2.52002 | 78.76 |
ZINC000000001515 | O=S(=O)(/N=C(\O)NC1CCCCC1)c1ccc2c(c1)CCC2 | 1.44 | 22 | SCB-52236815 | O=S(=O)(N=CNC1CCCCC1)c1ccc2c(c1)CCC2 | 322.135114 | 2.7003 | 78.76 |
ZINC000000001517 | O=S(=O)(/N=C(\O)NN1CCCCCC1)c1ccc(Cl)cc1 | -0.56 | 21 | SCB-10352669 | O=S(=O)(N=CNN1CCCCCC1)c1ccccc1 | 331.07574 | 2.3233 | 82 |
ZINC000000001518 | CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 | 11.28 | 19 | SCB-10581149 | O=S(=O)(Nc1nncs1)c1ccccc1 | 298.055818 | 2.0445 | 97.97 |
ZINC000000001519 | COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1 | 3.33 | 21 | SCB-47126976 | O=S(=O)(Nc1nncs1)c1ccccc1 | 327.071133 | 2.546 | 81.18 |
ZINC000000001533 | O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1O | 39.72 | 23 | SCB-89421860 | c1ccc(-c2ccc3ccccc3n2)cc1 | 309.063722 | 3.0038 | 107.72 |
ZINC000000001534 | c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1 | -45.1 | 21 | SCB-20163711 | c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1 | 280.193949 | 3.789 | 6.48 |
ZINC000000001547 | N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1 | -43.23 | 21 | SCB-87342362 | C(=C/c1ccccc1)\c1ccccc1 | 280.132411 | 2.13074 | 119.97 |
ZINC000000001551 | O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 | -30.9 | 19 | SCB-18598558 | O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 | 259.120843 | 2.441 | 38.77 |
ZINC000000001557 | C[N+](C)([O-])CCCN1c2ccccc2CCc2ccccc21 | -15.74 | 22 | SCB-61097838 | c1ccc2c(c1)CCc1ccccc1N2 | 296.188863 | 3.8876 | 26.3 |
ZINC000000001568 | COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1 | -36.52 | 25 | SCB-77207297 | c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 | 329.141579 | 5.5191 | 34.25 |
ZINC000000001569 | CC(C)c1oc2ccccc2c1C(=O)c1ccncc1 | -20.3 | 20 | SCB-11004342 | O=C(c1ccncc1)c1coc2ccccc12 | 265.110279 | 4.1822 | 43.1 |
ZINC000000001575 | N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O | -30.88 | 14 | SCB-18283312 | c1ccccc1 | 306.970541 | 0.9512 | 83.55 |
ZINC000000001595 | O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 | 0.16 | 20 | SCB-23463043 | O=C1c2ccccc2COc2ccccc21 | 268.073559 | 2.4371 | 63.6 |
ZINC000000001618 | Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O | 41.21 | 21 | SCB-99307215 | c1ccccc1 | 294.121572 | 0.71314 | 106.94 |
ZINC000000001622 | CC(=O)NC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 | -24.99 | 24 | SCB-67412568 | O=C1OCCN1c1ccc(N2CCOCC2)cc1 | 337.143784 | 1.1236 | 71.11 |
ZINC000000001625 | O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O | 89.24 | 20 | SCB-10685003 | c1ccc(Nc2ccccc2)cc1 | 291.029835 | 3.48 | 86.63 |
ZINC000000001634 | Clc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1 | -33.78 | 22 | SCB-17468796 | C(=C/c1ccccc1)\CN1CCN(c2cccnn2)CC1 | 314.129824 | 2.9654 | 32.26 |
ZINC000000001646 | NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 | 8.48 | 18 | SCB-97860636 | c1ccccc1 | 270.031042 | -0.0867 | 126.56 |
ZINC000000001655 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 6.54 | 19 | SCB-23939385 | c1ccc(Nc2ccccc2)cc1 | 295.016684 | 4.74362 | 49.33 |
ZINC000000001656 | Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl | -28.11 | 19 | SCB-12327512 | O=c1c2ccccc2ncn1-c1ccccc1 | 270.055991 | 3.34752 | 34.89 |
ZINC000000001659 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | -41.22 | 19 | SCB-31252628 | c1ccc(C2=NCCNc3ccccc32)cc1 | 270.092376 | 3.6272 | 15.6 |
ZINC000000001666 | C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1 | -30.67 | 20 | SCB-31300040 | c1ccc(Cc2ccccc2)cc1 | 270.185241 | 3.4988 | 9.23 |
ZINC000000001668 | COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1 | -14.87 | 23 | SCB-10978913 | O=C(NCCc1ccccc1)c1ccccc1 | 333.076786 | 3.0193 | 75.63 |
ZINC000000001672 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | -51.18 | 19 | SCB-22444485 | O=C(CCCN1CCCCC1)c1ccccc1 | 263.168543 | 3.5205 | 20.31 |
ZINC000000001674 | COc1ccc(OCC2=NCCc3ccccc32)cc1 | -35.03 | 20 | SCB-89568965 | c1ccc(OCC2=NCCc3ccccc32)cc1 | 267.125929 | 3.1194 | 30.82 |
ZINC000000001679 | Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 | -23.17 | 19 | SCB-26803525 | O=c1c2ccccc2ncn1-c1ccccc1 | 270.055991 | 3.34752 | 34.89 |
ZINC000000001699 | CN(C)CCN(Cc1cccs1)c1ccccc1 | -49.44 | 18 | SCB-55382579 | c1ccc(NCc2cccs2)cc1 | 260.13472 | 3.3163 | 6.48 |
ZINC000000001718 | Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2 | -9.36 | 17 | SCB-17149417 | O=S1(=O)CCCc2ccccc21 | 275.0286 | 0.36232 | 94.3 |
ZINC000000001723 | Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 | -31.87 | 17 | SCB-98121124 | c1ccc(-c2cncnc2)cc1 | 268.028252 | 2.92322 | 77.82 |
ZINC000000001725 | Cc1cc2c(cc1CC1=NCCN1)C1CCC2CC1 | -38.37 | 19 | SCB-19171452 | c1cc2c(cc1CC1=NCCN1)C1CCC2CC1 | 254.178299 | 3.29402 | 24.39 |
ZINC000000001729 | CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1 | -22.64 | 18 | SCB-88836334 | c1cc(N2CCNCC2)ncn1 | 287.097144 | 1.6454 | 44.29 |
ZINC000000001738 | O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1 | -31.84 | 23 | SCB-77834178 | O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1 | 299.094629 | 3.216 | 39.07 |
ZINC000000001749 | Cc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1 | -30.83 | 20 | SCB-42019819 | c1ccn(Nc2ccc(N3CCOCC3)nn2)c1 | 273.15896 | 1.60674 | 55.21 |
ZINC000000001754 | CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1 | -35.32 | 23 | SCB-35483971 | c1ccc(Cc2nccc3ccccc23)cc1 | 307.157229 | 4.4052 | 31.35 |
ZINC000000001760 | O=C(Nc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl | -42.54 | 19 | SCB-11157656 | O=C(Nc1ccccc1)Oc1ccccc1 | 314.962062 | 5.2577 | 38.33 |
ZINC000000001761 | OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@H]1O | -26 | 25 | SCB-11427594 | c1nc(NC2CCCCC2)c2ncn([C@@H]3CCCO3)c2n1 | 349.175004 | 0.1824 | 125.55 |
ZINC000000001764 | CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1 | -34.24 | 20 | SCB-46131288 | O=C1CC=NN1CCOc1ccc2ccccc2c1 | 268.121178 | 2.8268 | 41.9 |
ZINC000000001783 | Cn1cc(C(=O)c2cccc3ccccc23)cc1C(=O)O | 1.47 | 21 | SCB-93283451 | O=C(c1cc[nH]c1)c1cccc2ccccc12 | 279.089543 | 3.1075 | 59.3 |
ZINC000000001785 | O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 | -31.18 | 20 | SCB-51662844 | O=C1C[C@H](c2ccccc2)Oc2ccccc21 | 272.068473 | 2.5099 | 86.99 |
ZINC000000001793 | Nc1ncnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O | -26.25 | 19 | SCB-28617042 | C1=C[C@H](n2cnc3cncnc32)CC1 | 263.101839 | -1.3963 | 130.31 |
ZINC000000001796 | CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1 | -41.94 | 21 | SCB-76722022 | O=C(COc1ccccc1)OCc1cccnc1 | 305.081871 | 3.6358 | 48.42 |
ZINC000000001801 | CC(C)c1[nH]c2ccccc2c1C(=O)c1cccnc1 | -21.89 | 20 | SCB-21235984 | O=C(c1cccnc1)c1c[nH]c2ccccc12 | 264.126263 | 3.9173 | 45.75 |
ZINC000000001810 | O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1 | -19.05 | 25 | SCB-20482585 | c1coc(-c2ncc3ccccc3n2)c1 | 344.11207 | 1.589 | 125.76 |
ZINC000000001812 | O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1 | -10.86 | 19 | SCB-56337686 | C(=C/c1ccco1)\c1ccccc1 | 259.048072 | 3.0564 | 93.58 |
ZINC000000001823 | N#Cc1cc(I)c(O)c([N+](=O)[O-])c1 | -3.15 | 13 | SCB-10406207 | c1ccccc1 | 289.91884 | 1.77668 | 87.16 |
ZINC000000001848 | O=C(c1ccccc1Nc1ccncc1)N1CCCCC1 | -36.98 | 21 | SCB-68427550 | O=C(c1ccccc1Nc1ccncc1)N1CCCCC1 | 281.152812 | 3.4513 | 45.23 |
ZINC000000001857 | CN(C)CCN(Cc1ccccc1)c1nc2ccccc2o1 | -33.88 | 22 | SCB-82500180 | c1ccc(CNc2nc3ccccc3o2)cc1 | 295.168462 | 3.396 | 32.51 |
ZINC000000001873 | O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 | -49.76 | 25 | SCB-79063481 | O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 | 337.179027 | 3.0455 | 50.26 |
ZINC000000001875 | CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 | 2.18 | 19 | SCB-84170838 | O=c1cc[nH]c2cc3c(cc12)OCO3 | 261.063722 | 1.4483 | 77.76 |
ZINC000000001877 | O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12 | 1.19 | 20 | SCB-10024528 | c1ccc(-c2ccc3ccccc3n2)cc1 | 265.073893 | 3.3056 | 70.42 |
ZINC000000001884 | CC(=O)Nc1ccc(OC(=O)c2cccs2)cc1 | -29.14 | 18 | SCB-91480239 | O=C(Oc1ccccc1)c1cccs1 | 261.045964 | 2.9257 | 55.4 |
ZINC000000001891 | O=C1C(O)=C(C2CCCCC2)C(=O)c2ccccc21 | 4.7 | 19 | SCB-57564905 | O=C1C=C(C2CCCCC2)C(=O)c2ccccc21 | 256.109944 | 3.458 | 54.37 |
ZINC000000001894 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 | 29.49 | 24 | SCB-63359107 | O=c1cc[nH]c2cc(N3CCNCC3)ccc12 | 333.14887 | 1.6105 | 65.78 |
ZINC000000001898 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | -26.31 | 21 | SCB-10891578 | c1ccc(C2CCCC2)cc1 | 291.219829 | 3.472 | 41.49 |
ZINC000000001899 | Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1 | -27.45 | 18 | SCB-32587289 | O=c1[nH]cnc2[nH]cnc12 | 253.117489 | -1.3073 | 130.05 |
ZINC000000001901 | OCC1(CO)COC(C(Cl)(Cl)Cl)OC1 | -20.03 | 14 | SCB-40179528 | C1COCOC1 | 263.972292 | 0.7005 | 58.92 |
ZINC000000001931 | CN(C)CCOc1ccccc1Cc1ccccc1 | -38.51 | 19 | SCB-10529022 | c1ccc(Cc2ccccc2)cc1 | 255.162314 | 3.2178 | 12.47 |
ZINC000000001937 | COc1ccc([C@@H]2Cc3cccc(O)c3C(=O)O2)cc1O | -32.33 | 21 | SCB-43613635 | O=C1O[C@H](c2ccccc2)Cc2ccccc21 | 286.084124 | 2.5606 | 75.99 |
ZINC000000001943 | NNc1nnc(Cc2ccncc2)c2ccccc12 | -38.28 | 19 | SCB-53269380 | c1ccc2c(Cc3ccncc3)nncc2c1 | 251.117095 | 1.9012 | 76.72 |
ZINC000000001947 | Clc1ccccc1-c1nc(-c2ccncc2)no1 | -31.34 | 18 | SCB-65666265 | c1ccc(-c2nc(-c3ccncc3)no2)cc1 | 257.03559 | 3.452 | 51.81 |
ZINC000000001960 | CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(CO)n1 | -30.56 | 23 | SCB-81258507 | O=C(COc1ccccc1)OCc1ccccn1 | 335.092436 | 3.1281 | 68.65 |
ZINC000000001975 | Cc1c2c(cn1C)NC(=O)CN=C2c1ccccc1 | -18.13 | 19 | SCB-37511640 | O=C1CN=C(c2ccccc2)c2c[nH]cc2N1 | 253.121512 | 2.12302 | 46.39 |
ZINC000000001982 | CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1 | 15.02 | 19 | SCB-75839091 | c1ccccc1 | 285.103479 | 2.1955 | 74.68 |
ZINC000000001991 | CC(C)OC(=O)C1(c2ccccc2)CCN(C)CC1 | -19.6 | 19 | SCB-31114895 | c1ccc(C2CCNCC2)cc1 | 261.172879 | 2.6016 | 29.54 |
ZINC000000002012 | O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl | -27.32 | 16 | SCB-11383070 | c1ccc(-c2cc[nH]c2)cc1 | 255.980633 | 3.8967 | 58.93 |
ZINC000000002016 | C=CCN1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 | -33.22 | 24 | SCB-10327314 | c1ccc2nc(N3CCNCC3)ncc2c1 | 329.185175 | 1.5372 | 76.74 |
ZINC000000002027 | O=C(Nc1ccc(Br)cc1)c1c(O)cccc1O | 7.52 | 18 | SCB-78352067 | O=C(Nc1ccccc1)c1ccccc1 | 306.984405 | 3.1126 | 69.56 |
ZINC000000002033 | CCn1nc(C)c2c1C(c1ccccc1)=NCC(=O)N2 | -16.25 | 20 | SCB-56287769 | O=C1CN=C(c2ccccc2)c2[nH]ncc2N1 | 268.132411 | 2.00092 | 59.28 |
ZINC000000002041 | CCCN(CCC)CCc1cccc2c1CC(=O)N2 | -33.66 | 19 | SCB-52176398 | O=C1Cc2ccccc2N1 | 260.188863 | 2.8457 | 32.34 |
ZINC000000002042 | CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21 | -12.12 | 22 | SCB-41959222 | O=c1cc[nH]c2cc(-c3ccncc3)ccc12 | 294.100442 | 2.7816 | 72.19 |
ZINC000000002043 | CN(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1 | -32.03 | 20 | SCB-79962805 | c1ccc(Cc2ccccn2)cc1 | 290.118591 | 3.4026 | 25.36 |
ZINC000000002045 | CN1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O | -39.9 | 25 | SCB-44666651 | O=C1CC2(CCN(CCCC(=O)c3ccccc3)CC2)C(=O)N1 | 346.169271 | 2.2595 | 57.69 |
ZINC000000002053 | OCc1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | -24.34 | 20 | SCB-59783287 | c1ccc(O[C@@H]2CCCCO2)cc1 | 286.105253 | -1.6424 | 119.61 |
ZINC000000002056 | Cc1c(NC(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C | -28.71 | 24 | SCB-99988002 | O=C(Nc1c[nH]n(-c2ccccc2)c1=O)c1ccccc1 | 323.126991 | 2.44232 | 76.26 |
ZINC000000002059 | CCOc1ccc(NC(=O)c2ccccc2O)cc1 | -31.44 | 19 | SCB-33330836 | O=C(Nc1ccccc1)c1ccccc1 | 257.105193 | 3.0432 | 58.56 |
ZINC000000002062 | O=C(Oc1ccccc1C(=O)O)c1ccccc1O | -3.03 | 19 | SCB-12690040 | O=C(Oc1ccccc1)c1ccccc1 | 258.052823 | 2.3096 | 83.83 |
ZINC000000002063 | CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O | 0.72 | 22 | SCB-10215240 | O=C(Oc1ccccc1)c1ccccc1 | 300.063388 | 2.5293 | 89.9 |
ZINC000000002079 | N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2)cc1 | -36.79 | 20 | SCB-81102914 | C(=C/c1ccccc1)\c1ccccc1 | 264.137497 | 2.42514 | 99.74 |
ZINC000000002090 | Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1 | -26.03 | 20 | SCB-42162174 | O=S(=O)(Nc1ccncn1)c1ccccc1 | 312.044774 | 2.12984 | 97.97 |
ZINC000000002093 | CC(C)=C/C(O)=N/S(=O)(=O)c1ccc(N)cc1 | 24.42 | 17 | SCB-10025357 | c1ccccc1 | 254.072513 | 1.8802 | 92.75 |
ZINC000000002094 | COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC | 14.79 | 21 | SCB-27885462 | O=S(=O)(Nc1ccncn1)c1ccccc1 | 310.073576 | 0.8768 | 116.43 |
ZINC000000002097 | COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 | 17.63 | 19 | SCB-31995948 | O=S(=O)(Nc1cnccn1)c1ccccc1 | 280.063011 | 0.8682 | 107.2 |
ZINC000000002100 | COc1cc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)n1 | -25.13 | 21 | SCB-47220652 | O=S(=O)(Nc1ncccn1)c1ccccc1 | 310.073576 | 0.8768 | 116.43 |
ZINC000000002102 | Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 | -27.76 | 18 | SCB-58767802 | O=S(=O)(Nc1ncccn1)c1ccccc1 | 264.068097 | 1.16802 | 97.97 |
ZINC000000002103 | CC(C)Oc1ccc(/C(O)=N/S(=O)(=O)c2ccc(N)cc2)cc1 | 27.77 | 23 | SCB-19835491 | O=S(=O)(/N=C/c1ccccc1)c1ccccc1 | 334.098728 | 2.7495 | 101.98 |
ZINC000000002104 | Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1 | 12.79 | 17 | SCB-10184876 | O=S(=O)(Nc1cnccn1)c1ccccc1 | 250.052447 | 0.8596 | 97.97 |
ZINC000000002106 | Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 | -2.56 | 21 | SCB-10357801 | O=S(=O)(Nc1cnc2ccccc2n1)c1ccccc1 | 300.068097 | 2.0128 | 97.97 |
ZINC000000002110 | Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1C | 20.72 | 18 | SCB-35499446 | O=S(=O)(Nc1ccon1)c1ccccc1 | 267.067762 | 1.67444 | 98.22 |
ZINC000000002113 | CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 | -18.67 | 20 | SCB-66249846 | O=S(=O)(Nc1cccnn1)c1ccccc1 | 294.078661 | 1.2583 | 107.2 |
ZINC000000002119 | NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 | -20.05 | 18 | SCB-90559998 | O=S1(=O)CCCCN1c1ccccc1 | 290.039499 | 0.264 | 97.54 |
ZINC000000002122 | CN(C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O | -49.89 | 23 | SCB-10909996 | O=c1[nH]nc(Cc2ccccc2)c2ccccc12 | 307.168462 | 2.5489 | 38.13 |
ZINC000000002124 | CC(C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O | -22.34 | 20 | SCB-27453542 | O=C1NC(=O)c2ccccc21 | 296.083078 | 0.6104 | 83.55 |
ZINC000000002148 | C[N+](C)(CCOc1ccccc1)Cc1cccs1 | -50.19 | 18 | SCB-10342464 | c1ccc(OCC[NH2+]Cc2cccs2)cc1 | 262.126012 | 3.4035 | 9.23 |
ZINC000000002152 | Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1 | -31.76 | 19 | SCB-64747603 | O=c1sccn1Cc1cncnc1 | 280.099397 | 0.48194 | 94.03 |
ZINC000000002158 | OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O | -28.47 | 19 | SCB-45883334 | S=c1[nH]cnc2c1ncn2[C@@H]1CCCO1 | 284.057926 | -0.89961 | 116.42 |