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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
|
|---|---|---|---|---|---|---|---|---|
ZINC000725266993 | COCc1ccccc1CCN[C@@H](C)C(=O)OC | -30.71 | 18 | SCB-69957461 | c1ccccc1 | 251.152144 | 1.5266 | 47.56 |
ZINC000725267090 | CC(C)N1CCN(C[C@H]2C[C@]2(CO)C(C)C)CC1 | -33.82 | 18 | SCB-68857870 | C1CN(CC2CC2)CCN1 | 254.235814 | 1.667 | 26.71 |
ZINC000725267091 | CC(C)N1CCN(C[C@@H]2C[C@]2(CO)C(C)C)CC1 | -29.73 | 18 | SCB-41134030 | C1CN(CC2CC2)CCN1 | 254.235814 | 1.667 | 26.71 |
ZINC000725267092 | CC(C)N1CCN(C[C@H]2C[C@@]2(CO)C(C)C)CC1 | -22.26 | 18 | SCB-92734967 | C1CN(CC2CC2)CCN1 | 254.235814 | 1.667 | 26.71 |
ZINC000725267093 | CC(C)N1CCN(C[C@@H]2C[C@@]2(CO)C(C)C)CC1 | -30.81 | 18 | SCB-87312424 | C1CN(CC2CC2)CCN1 | 254.235814 | 1.667 | 26.71 |
ZINC000725267103 | CC1CCN(C(=O)[C@@H]2C[C@@]2(C(=O)O)C(C)C)CC1 | 11.29 | 18 | SCB-15514289 | O=C(C1CC1)N1CCCCC1 | 253.167794 | 1.9918 | 57.61 |
ZINC000725267112 | CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)N1CCC[C@@H](C)C1 | 11.99 | 18 | SCB-70984189 | O=C(C1CC1)N1CCCCC1 | 253.167794 | 1.9918 | 57.61 |
ZINC000725267146 | CC[C@H](NCC1(CCOC)CCOCC1)C(=O)OC | -25.8 | 19 | SCB-60677364 | C1CCOCC1 | 273.194008 | 1.3609 | 56.79 |
ZINC000725267253 | CC(C)[C@]1(CO)C[C@@H]1CN1CCC[C@@H](N(C)C)C1 | -34.99 | 18 | SCB-50680860 | C1CCN(CC2CC2)CC1 | 254.235814 | 1.667 | 26.71 |
ZINC000725267276 | CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)N1CCSCC1 | 16.97 | 17 | SCB-92285382 | O=C(C1CC1)N1CCSCC1 | 257.108564 | 1.3087 | 57.61 |
ZINC000725267571 | O=C1CCN([C@H]([C@@H]2CCOC2)C(F)(F)F)CC1 | -21.45 | 17 | SCB-34808426 | O=C1CCN(C[C@@H]2CCOC2)CC1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267572 | O=C1CCN([C@@H]([C@@H]2CCOC2)C(F)(F)F)CC1 | -25.39 | 17 | SCB-80312988 | O=C1CCN(C[C@@H]2CCOC2)CC1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267573 | O=C1CCN([C@H]([C@H]2CCOC2)C(F)(F)F)CC1 | -22 | 17 | SCB-74769155 | O=C1CCN(C[C@H]2CCOC2)CC1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267580 | C[C@@H]1CN([C@H]([C@@H]2CCCOC2)C(F)(F)F)CCN1 | -34.06 | 18 | SCB-82419922 | C1COC[C@H](CN2CCNCC2)C1 | 266.160598 | 1.6376 | 24.5 |
ZINC000725267581 | C[C@@H]1CN([C@@H]([C@@H]2CCCOC2)C(F)(F)F)CCN1 | -19.51 | 18 | SCB-47710284 | C1COC[C@H](CN2CCNCC2)C1 | 266.160598 | 1.6376 | 24.5 |
ZINC000725267583 | C[C@@H]1CN([C@@H]([C@H]2CCCOC2)C(F)(F)F)CCN1 | -24.27 | 18 | SCB-75607525 | C1COC[C@@H](CN2CCNCC2)C1 | 266.160598 | 1.6376 | 24.5 |
ZINC000725267591 | FC(F)(F)[C@@H]([C@@H]1CCCOC1)N1CCNCC1 | -28.94 | 17 | SCB-30841711 | C1COC[C@H](CN2CCNCC2)C1 | 252.144948 | 1.2491 | 24.5 |
ZINC000725267592 | FC(F)(F)[C@H]([C@H]1CCCOC1)N1CCNCC1 | -36.36 | 17 | SCB-49779575 | C1COC[C@@H](CN2CCNCC2)C1 | 252.144948 | 1.2491 | 24.5 |
ZINC000725267593 | FC(F)(F)[C@@H]([C@H]1CCCOC1)N1CCNCC1 | -28.28 | 17 | SCB-65580708 | C1COC[C@@H](CN2CCNCC2)C1 | 252.144948 | 1.2491 | 24.5 |
ZINC000725267614 | O=C1CCN([C@H]([C@@H]2CCCOC2)C(F)(F)F)C1 | -24.24 | 17 | SCB-75204842 | O=C1CCN(C[C@@H]2CCCOC2)C1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267615 | O=C1CCN([C@@H]([C@@H]2CCCOC2)C(F)(F)F)C1 | -24.52 | 17 | SCB-43077534 | O=C1CCN(C[C@@H]2CCCOC2)C1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267617 | O=C1CCN([C@@H]([C@H]2CCCOC2)C(F)(F)F)C1 | -23.42 | 17 | SCB-26612682 | O=C1CCN(C[C@H]2CCCOC2)C1 | 251.113313 | 1.6187 | 29.54 |
ZINC000725267847 | COc1cccc2c1C[C@@H](O)[C@@H](C1CCOCC1)N2 | -27.91 | 19 | SCB-56654915 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267848 | COc1cccc2c1C[C@H](O)[C@H](C1CCOCC1)N2 | -26.53 | 19 | SCB-28556761 | c1ccc2c(c1)CC[C@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267860 | COc1ccc2c(c1)C[C@@H](O)[C@H](C1CCOCC1)N2 | -5.11 | 19 | SCB-67579258 | c1ccc2c(c1)CC[C@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267861 | COc1ccc2c(c1)C[C@H](O)[C@H](C1CCOCC1)N2 | -28.92 | 19 | SCB-11471671 | c1ccc2c(c1)CC[C@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267862 | COc1ccc2c(c1)C[C@@H](O)[C@@H](C1CCOCC1)N2 | -21.45 | 19 | SCB-74892005 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267863 | COc1ccc2c(c1)C[C@H](O)[C@@H](C1CCOCC1)N2 | -23.58 | 19 | SCB-29571246 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725267871 | COc1cccc2c1C[C@H](O)[C@H](C(C)(C)OC)N2 | -25.53 | 18 | SCB-51462548 | c1ccc2c(c1)CCCN2 | 251.152144 | 1.8177 | 50.72 |
ZINC000725267872 | COc1cccc2c1C[C@@H](O)[C@@H](C(C)(C)OC)N2 | -27.24 | 18 | SCB-57131902 | c1ccc2c(c1)CCCN2 | 251.152144 | 1.8177 | 50.72 |
ZINC000725267924 | COc1ccc2c(c1)N[C@@H](C(C)(C)OC)[C@H](O)C2 | -20.73 | 18 | SCB-69604600 | c1ccc2c(c1)CCCN2 | 251.152144 | 1.8177 | 50.72 |
ZINC000725268201 | C=C(OCC)c1nc(Cl)nc(-n2cncn2)n1 | -30.72 | 17 | SCB-66875865 | c1ncnc(-n2cncn2)n1 | 252.052637 | 1.1129 | 78.61 |
ZINC000725268264 | CC[C@H](C)S(=O)(=O)c1cnc(O)c(C(=O)O)c1 | 27.54 | 17 | SCB-89013697 | c1ccncc1 | 259.051444 | 1.0576 | 104.56 |
ZINC000725268369 | COc1cccc2c1N[C@H]([C@H]1CCCOC1)[C@@H](O)C2 | -28.86 | 19 | SCB-10312721 | c1ccc2c(c1)CC[C@@H]([C@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268407 | COc1cccc2c1N[C@H](C1CCOCC1)[C@H](O)C2 | -28.4 | 19 | SCB-51198223 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268436 | COc1cccc2c1C[C@H](O)[C@H]([C@H]1CCCOC1)N2 | -27.07 | 19 | SCB-29669232 | c1ccc2c(c1)CC[C@H]([C@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268449 | COc1ccc2c(c1)C[C@H](O)[C@H]([C@@H]1CCCOC1)N2 | -12 | 19 | SCB-61052406 | c1ccc2c(c1)CC[C@H]([C@@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268490 | CCOc1ccc2c(c1)C[C@H](O)[C@H]([C@H]1CCOC1)N2 | -31.97 | 19 | SCB-60088073 | c1ccc2c(c1)CC[C@H]([C@H]1CCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268493 | CCOc1ccc2c(c1)C[C@H](O)[C@@H]([C@@H]1CCOC1)N2 | -30.84 | 19 | SCB-14499730 | c1ccc2c(c1)CC[C@@H]([C@@H]1CCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268494 | COc1ccc2c(c1)N[C@@H](C1CCOCC1)[C@H](O)C2 | -27.79 | 19 | SCB-10114057 | c1ccc2c(c1)CC[C@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268495 | COc1ccc2c(c1)N[C@@H](C1CCOCC1)[C@@H](O)C2 | -30.04 | 19 | SCB-28639821 | c1ccc2c(c1)CC[C@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268496 | COc1ccc2c(c1)N[C@H](C1CCOCC1)[C@H](O)C2 | -27.55 | 19 | SCB-48106419 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268497 | COc1ccc2c(c1)N[C@H](C1CCOCC1)[C@@H](O)C2 | -23.35 | 19 | SCB-22221917 | c1ccc2c(c1)CC[C@@H](C1CCOCC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268500 | COc1cccc2c1N[C@H](C(C)(C)OC)[C@@H](O)C2 | -21.48 | 18 | SCB-11211370 | c1ccc2c(c1)CCCN2 | 251.152144 | 1.8177 | 50.72 |
ZINC000725268502 | COc1cccc2c1N[C@H](C(C)(C)OC)[C@H](O)C2 | -20.88 | 18 | SCB-55906390 | c1ccc2c(c1)CCCN2 | 251.152144 | 1.8177 | 50.72 |
ZINC000725268521 | COc1ccc2c(c1)N[C@H]([C@@H]1CCCOC1)[C@@H](O)C2 | -23.8 | 19 | SCB-95536202 | c1ccc2c(c1)CC[C@@H]([C@@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268522 | COc1ccc2c(c1)N[C@H]([C@@H]1CCCOC1)[C@H](O)C2 | -22.58 | 19 | SCB-81489690 | c1ccc2c(c1)CC[C@@H]([C@@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268523 | COc1ccc2c(c1)N[C@H]([C@H]1CCCOC1)[C@H](O)C2 | -24.87 | 19 | SCB-26986886 | c1ccc2c(c1)CC[C@@H]([C@H]1CCCOC1)N2 | 263.152144 | 1.8193 | 50.72 |
ZINC000725268576 | C[C@H]1NC(=S)Oc2cn(C3CCOCC3)nc21 | -23.43 | 17 | SCB-49465111 | S=C1NCc2nn(C3CCOCC3)cc2O1 | 253.088498 | 1.5625 | 48.31 |
ZINC000725268577 | C[C@@H]1NC(=S)Oc2cn(C3CCOCC3)nc21 | -24.76 | 17 | SCB-11898249 | S=C1NCc2nn(C3CCOCC3)cc2O1 | 253.088498 | 1.5625 | 48.31 |
ZINC000725268682 | CC(C)(C)S(=O)(=O)c1cnc(O)c(C(=O)O)c1 | 16.21 | 17 | SCB-75980937 | c1ccncc1 | 259.051444 | 1.0576 | 104.56 |
ZINC000725268785 | NC[C@H](CC(N)=O)c1cc(Br)cs1 | -46.81 | 13 | SCB-57981087 | c1ccsc1 | 261.977546 | 1.4283 | 69.11 |
ZINC000725268836 | NCc1c([C@@H]2CCCCO2)nnn1CCCCCO | -32.52 | 19 | SCB-76215176 | c1[nH]nnc1[C@@H]1CCCCO1 | 268.189926 | 1.141 | 86.19 |
ZINC000725268837 | CNC(=O)c1cnc(Cl)c(Br)n1 | -22.54 | 12 | SCB-64029612 | c1cnccn1 | 248.930452 | 1.2521 | 54.88 |
ZINC000725268840 | C[C@H](CC(=O)O)CC(=O)NCC1CC(n2ccnc2)C1 | -5.67 | 20 | SCB-44123847 | c1cn(C2CCC2)cn1 | 279.158292 | 1.4513 | 84.22 |
ZINC000725269064 | CCC[C@H](C)C(=O)N1CCC2(CC1)OCC[C@H]2N | -26.98 | 18 | SCB-86964388 | C1COC2(C1)CCNCC2 | 254.199428 | 1.5314 | 55.56 |
ZINC000725269066 | CCC[C@H](C)C(=O)N1CCC2(CC1)OCC[C@@H]2N | -34.67 | 18 | SCB-11240201 | C1COC2(C1)CCNCC2 | 254.199428 | 1.5314 | 55.56 |
ZINC000725269068 | CCC[C@@H](C)C(=O)N1CCC2(CC1)OCC[C@H]2N | -22.5 | 18 | SCB-73370062 | C1COC2(C1)CCNCC2 | 254.199428 | 1.5314 | 55.56 |
ZINC000725269108 | CCS(=O)(=O)N(c1cccc(CN)c1)C(C)C | -11.53 | 17 | SCB-26010645 | c1ccccc1 | 256.124549 | 1.7098 | 63.4 |
ZINC000725269113 | CCC[C@H](C)C(=O)NC[C@@H](O)[C@H]1COC(C)(C)O1 | -20.71 | 18 | SCB-45530648 | C1COCO1 | 259.178358 | 1.0512 | 67.79 |
ZINC000725269149 | C[C@H](C(=O)NCC1CC(n2ccnc2)C1)[C@@H](C)C(=O)O | -4.45 | 20 | SCB-63668605 | c1cn(C2CCC2)cn1 | 279.158292 | 1.3072 | 84.22 |
ZINC000725269150 | C[C@H](C(=O)O)[C@H](C)C(=O)NCC1CC(n2ccnc2)C1 | 1.19 | 20 | SCB-67808041 | c1cn(C2CCC2)cn1 | 279.158292 | 1.3072 | 84.22 |
ZINC000725269152 | C[C@@H](C(=O)O)[C@@H](C)C(=O)NCC1CC(n2ccnc2)C1 | -2.09 | 20 | SCB-42917968 | c1cn(C2CCC2)cn1 | 279.158292 | 1.3072 | 84.22 |
ZINC000725269166 | CC(=O)N[C@](C)(CO)c1cccc(Br)c1 | -28.67 | 15 | SCB-22105047 | c1ccccc1 | 271.020791 | 1.7927 | 49.33 |
ZINC000725269183 | CC(C)[C@@H](C)C(=O)N[C@@H]1CCOC12CCNCC2 | -20.27 | 18 | SCB-11192713 | C1COC2(C1)CCNCC2 | 254.199428 | 1.3058 | 50.36 |
ZINC000725269240 | O=C1N(Cc2ccccc2)C[C@@H](O)CC12CCOCC2 | -29.94 | 20 | SCB-93363882 | O=C1N(Cc2ccccc2)CCCC12CCOCC2 | 275.152144 | 1.5766 | 49.77 |
ZINC000725269251 | CCNC(=O)c1cnc(Cl)c(Br)n1 | -24.36 | 13 | SCB-43103443 | c1cnccn1 | 262.946102 | 1.6422 | 54.88 |
ZINC000725269273 | CCC(C)(C)NC(=O)N1CCC2(CC1)OCC[C@@H]2N | -34.32 | 19 | SCB-41158644 | C1COC2(C1)CCNCC2 | 269.210327 | 1.4668 | 67.59 |
ZINC000725269281 | O=[N+]([O-])c1cc(CN[C@H]2COC[C@H]2C2CC2)ccc1O | -20.2 | 20 | SCB-10573295 | c1ccc(CN[C@H]2COC[C@H]2C2CC2)cc1 | 278.126657 | 1.815 | 84.63 |
ZINC000725269327 | O=C(O)CCCC(=O)NCC1CC(n2ccnc2)C1 | -5.92 | 19 | SCB-10545537 | c1cn(C2CCC2)cn1 | 265.142641 | 1.2053 | 84.22 |
ZINC000725269395 | CC(=O)c1cn(Cc2ccc(F)nc2Br)nn1 | -34.84 | 17 | SCB-98860721 | c1cncc(Cn2ccnn2)c1 | 297.986551 | 1.8256 | 60.67 |
ZINC000725269417 | CCC(C)(C)NC(=O)N[C@H]1CCOC12CCNCC2 | -17.99 | 19 | SCB-62302251 | C1COC2(C1)CCNCC2 | 269.210327 | 1.3853 | 62.39 |
ZINC000725269473 | Cc1cccc(-n2cc(COCCO)nn2)c1F | -29.46 | 18 | SCB-33196620 | c1ccc(-n2ccnn2)cc1 | 251.107005 | 1.22372 | 60.17 |
ZINC000725269475 | CC(C)[C@@H](C)NC(=O)N[C@H]1CCOC12CCNCC2 | 0.2 | 19 | SCB-26722069 | C1COC2(C1)CCNCC2 | 269.210327 | 1.2412 | 62.39 |
ZINC000725269481 | CC(C)[C@H](C)NC(=O)N[C@H]1CCOC12CCNCC2 | -19.73 | 19 | SCB-85694468 | C1COC2(C1)CCNCC2 | 269.210327 | 1.2412 | 62.39 |
ZINC000725269482 | CC(C)(C)OC(=O)N1CC(c2cc(CO)[nH]n2)C1 | -27.76 | 18 | SCB-87037246 | c1cc(C2CNC2)n[nH]1 | 253.142641 | 1.2363 | 78.45 |
ZINC000725269483 | CC(C)[C@@H](C)NC(=O)N[C@@H]1CCOC12CCNCC2 | -27.92 | 19 | SCB-98064556 | C1COC2(C1)CCNCC2 | 269.210327 | 1.2412 | 62.39 |
ZINC000725269635 | Cn1cc(S(=O)(=O)NC2CC2)c(C2CCCC2)n1 | -24.1 | 18 | SCB-52886937 | O=S(=O)(NC1CC1)c1c[nH]nc1C1CCCC1 | 269.119798 | 1.5184 | 63.99 |
ZINC000725269670 | CC(C)[C@@H](C)C(=O)N1CCC2(CC1)OCC[C@@H]2N | -32.42 | 18 | SCB-89057493 | C1COC2(C1)CCNCC2 | 254.199428 | 1.3873 | 55.56 |
ZINC000725269673 | CC(C)[C@H](C)C(=O)N1CCC2(CC1)OCC[C@H]2N | -37.95 | 18 | SCB-50246973 | C1COC2(C1)CCNCC2 | 254.199428 | 1.3873 | 55.56 |
ZINC000725269676 | CC(C)[C@H](C)C(=O)N1CCC2(CC1)OCC[C@@H]2N | -33.67 | 18 | SCB-55406264 | C1COC2(C1)CCNCC2 | 254.199428 | 1.3873 | 55.56 |
ZINC000725269679 | CC(C)[C@@H](C)C(=O)N1CCC2(CC1)OCC[C@H]2N | -18.39 | 18 | SCB-37751568 | C1COC2(C1)CCNCC2 | 254.199428 | 1.3873 | 55.56 |
ZINC000725269680 | C[C@H](CC(=O)O)CC(=O)N[C@H]1COC[C@@H]1C1CC1 | 15.94 | 18 | SCB-50148769 | C1C[C@@H](C2CC2)CO1 | 255.147058 | 1.0285 | 75.63 |
ZINC000725269697 | CCN(c1cccc(CN)c1)S(=O)(=O)C(C)C | -31.46 | 17 | SCB-11538615 | c1ccccc1 | 256.124549 | 1.7098 | 63.4 |
ZINC000725269758 | CNC(=O)C[C@@H](CN)c1cc(Br)cs1 | -45.26 | 14 | SCB-31761404 | c1ccsc1 | 275.993196 | 1.689 | 55.12 |
ZINC000725269759 | CNC(=O)C[C@H](CN)c1cc(Br)cs1 | -37.36 | 14 | SCB-69636504 | c1ccsc1 | 275.993196 | 1.689 | 55.12 |
ZINC000725269821 | CC(C)(C)C(=O)OCn1nnc([C@H]2CCCCO2)c1CN | -26.72 | 21 | SCB-28050214 | c1[nH]nnc1[C@H]1CCCCO1 | 296.184841 | 1.5252 | 92.26 |
ZINC000725269823 | CC(C)(C)C(=O)OCn1nnc([C@@H]2CCCCO2)c1CN | -31.17 | 21 | SCB-36728431 | c1[nH]nnc1[C@@H]1CCCCO1 | 296.184841 | 1.5252 | 92.26 |
ZINC000725269873 | CC(=O)c1cn(CCOC2CCSCC2)nn1 | -30.25 | 17 | SCB-26666824 | c1cn(CCOC2CCSCC2)nn1 | 255.104148 | 1.3929 | 57.01 |
ZINC000725269914 | CC(C)(CC(=O)O)CC(=O)N[C@@H]1COC[C@@H]1C1CC1 | 25.35 | 19 | SCB-73413106 | C1C[C@@H](C2CC2)CO1 | 269.162708 | 1.4186 | 75.63 |
ZINC000725269918 | CC(C)(CC(=O)O)CC(=O)N[C@@H]1COC[C@H]1C1CC1 | 10.68 | 19 | SCB-44071675 | C1C[C@H](C2CC2)CO1 | 269.162708 | 1.4186 | 75.63 |
ZINC000725270036 | CC(C)(C)c1ccnc(NC(=O)[C@@H]2C[C@H]2C(=O)O)n1 | -6.84 | 19 | SCB-79857849 | O=C(Nc1ncccn1)C1CC1 | 263.126991 | 1.4333 | 92.18 |
ZINC000725270037 | CC(C)(C)c1ccnc(NC(=O)[C@H]2C[C@H]2C(=O)O)n1 | 22.74 | 19 | SCB-11415066 | O=C(Nc1ncccn1)C1CC1 | 263.126991 | 1.4333 | 92.18 |
ZINC000725270038 | CC(C)(C)c1ccnc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 | 24.92 | 19 | SCB-68880112 | O=C(Nc1ncccn1)C1CC1 | 263.126991 | 1.4333 | 92.18 |
ZINC000725270039 | CC(C)(C)c1ccnc(NC(=O)[C@H]2C[C@@H]2C(=O)O)n1 | 1.53 | 19 | SCB-58179658 | O=C(Nc1ncccn1)C1CC1 | 263.126991 | 1.4333 | 92.18 |
ZINC000725270208 | CC(C)[C@@H](C)NC(=O)N1CCC2(CC1)OCC[C@@H]2N | -33.8 | 19 | SCB-91939094 | C1COC2(C1)CCNCC2 | 269.210327 | 1.3227 | 67.59 |
ZINC000725270210 | CC(C)[C@H](C)NC(=O)N1CCC2(CC1)OCC[C@H]2N | -38.03 | 19 | SCB-18331737 | C1COC2(C1)CCNCC2 | 269.210327 | 1.3227 | 67.59 |
ZINC000725270214 | CC(C)[C@@H](C)NC(=O)N1CCC2(CC1)OCC[C@H]2N | -23.15 | 19 | SCB-11937414 | C1COC2(C1)CCNCC2 | 269.210327 | 1.3227 | 67.59 |
ZINC000725270243 | OCCCc1cn(CCOC2CCSCC2)nn1 | -26.18 | 18 | SCB-99548972 | c1cn(CCOC2CCSCC2)nn1 | 271.135448 | 1.1152 | 60.17 |
ZINC000725270279 | OCCCCCc1cn(CCOC2CCSCC2)nn1 | -24.18 | 20 | SCB-30889088 | c1cn(CCOC2CCSCC2)nn1 | 299.166748 | 1.8954 | 60.17 |