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
|
|---|---|---|---|---|---|---|---|---|
ZINC000725270298 | CCC[C@@H](C)C(=O)N[C@H]1CCOC12CCNCC2 | -15.92 | 18 | SCB-57322312 | C1COC2(C1)CCNCC2 | 254.199428 | 1.4499 | 50.36 |
ZINC000725270302 | CCCCNC[C@H](O)CS(=O)(=O)c1ccccc1 | -37.11 | 18 | SCB-66032165 | c1ccccc1 | 271.124215 | 1.2109 | 66.4 |
ZINC000725270308 | COCCCNCCc1ccc(NC(C)=O)cc1 | -33.28 | 18 | SCB-78475442 | c1ccccc1 | 250.168128 | 1.8136 | 50.36 |
ZINC000725270341 | CCC(C)(C)NC[C@@H](O)CS(=O)(=O)c1ccccc1 | -31.63 | 19 | SCB-34470883 | c1ccccc1 | 285.139865 | 1.5994 | 66.4 |
ZINC000725270342 | CCC(C)(C)NC[C@H](O)CS(=O)(=O)c1ccccc1 | -33.7 | 19 | SCB-71734330 | c1ccccc1 | 285.139865 | 1.5994 | 66.4 |
ZINC000725270429 | Nc1cccc(CNS(=O)(=O)C2CCCC2)n1 | -25.85 | 17 | SCB-67475655 | O=S(=O)(NCc1ccccn1)C1CCCC1 | 255.104148 | 1.0258 | 85.08 |
ZINC000725270447 | COC(=O)C1CCN(C2CCC3(CC2)C[C@H]3N)CC1 | -23.34 | 19 | SCB-12885649 | C1CCN(C2CCC3(CC2)CC3)CC1 | 266.199428 | 1.5314 | 55.56 |
ZINC000725270448 | COC(=O)C1CCN(C2CCC3(CC2)C[C@@H]3N)CC1 | -31.92 | 19 | SCB-32105496 | C1CCN(C2CCC3(CC2)CC3)CC1 | 266.199428 | 1.5314 | 55.56 |
ZINC000725270459 | N[C@H]1CC12CCC(N1CCC[C@H](C(=O)O)C1)CC2 | -11.34 | 18 | SCB-65886180 | C1CCN(C2CCC3(CC2)CC3)CC1 | 252.183778 | 1.443 | 66.56 |
ZINC000725270462 | N[C@@H]1CC12CCC(N1CCC[C@H](C(=O)O)C1)CC2 | -20.04 | 18 | SCB-40919334 | C1CCN(C2CCC3(CC2)CC3)CC1 | 252.183778 | 1.443 | 66.56 |
ZINC000725270505 | CC(C)[C@@H](NCc1cccnc1Br)C(N)=O | -49 | 16 | SCB-58204965 | c1ccncc1 | 285.047674 | 1.4436 | 68.01 |
ZINC000725270518 | C[C@@H]1CNCCN1[C@@H]1CC[C@H](C(=O)O)[C@H](C(F)(F)F)C1 | 11.33 | 20 | SCB-60601546 | C1CCC(N2CCNCC2)CC1 | 294.155513 | 1.7119 | 52.57 |
ZINC000725270527 | O=C(O)[C@@H]1CC[C@H](N2CCNCC2)C[C@@H]1C(F)(F)F | -5 | 19 | SCB-58801267 | C1CCC(N2CCNCC2)CC1 | 280.139863 | 1.3234 | 52.57 |
ZINC000725270528 | O=C(O)[C@@H]1CC[C@@H](N2CCNCC2)C[C@@H]1C(F)(F)F | -22.58 | 19 | SCB-48647951 | C1CCC(N2CCNCC2)CC1 | 280.139863 | 1.3234 | 52.57 |
ZINC000725270531 | O=C(O)[C@@H]1CC[C@@H](N2CCNCC2)C[C@H]1C(F)(F)F | 18.52 | 19 | SCB-30071422 | C1CCC(N2CCNCC2)CC1 | 280.139863 | 1.3234 | 52.57 |
ZINC000725270550 | CCOC(=O)C(=O)Nc1nccc(C(C)(C)C)n1 | -33.33 | 18 | SCB-54480018 | c1cncnc1 | 251.126991 | 1.2757 | 81.18 |
ZINC000725270563 | C[C@H](O)c1cn(CCOC2CCSCC2)nn1 | -27.4 | 17 | SCB-25479454 | c1cn(CCOC2CCSCC2)nn1 | 257.119798 | 1.2436 | 60.17 |
ZINC000725270593 | CCCS(=O)(=O)Nc1cccc2c1CC[C@@H]2N | -16.46 | 17 | SCB-19556149 | c1ccc2c(c1)CCC2 | 254.108899 | 1.7843 | 72.19 |
ZINC000725270634 | CC(C)(C)c1ccnc(NC(=O)CCCC(=O)O)n1 | 1.74 | 19 | SCB-11022190 | c1cncnc1 | 265.142641 | 1.9675 | 92.18 |
ZINC000725270663 | CC[C@@](C)(O)c1cn(CCOC2CCSCC2)nn1 | -25.7 | 19 | SCB-11107655 | c1cn(CCOC2CCSCC2)nn1 | 285.151098 | 1.8078 | 60.17 |
ZINC000725270665 | CC[C@](C)(O)c1cn(CCOC2CCSCC2)nn1 | -28.22 | 19 | SCB-51591296 | c1cn(CCOC2CCSCC2)nn1 | 285.151098 | 1.8078 | 60.17 |
ZINC000725270682 | CCOC(=O)c1nc(N)nc(N2C[C@H](C)C[C@H](C)C2)n1 | -33.06 | 20 | SCB-56731660 | c1ncnc(N2CCCCC2)n1 | 279.169525 | 1.1128 | 94.23 |
ZINC000725270684 | CCOC(=O)c1nc(N)nc(N2C[C@@H](C)C[C@H](C)C2)n1 | -27.46 | 20 | SCB-11456465 | c1ncnc(N2CCCCC2)n1 | 279.169525 | 1.1128 | 94.23 |
ZINC000725270685 | CCOC(=O)c1nc(N)nc(N2C[C@H](C)C[C@@H](C)C2)n1 | -16.06 | 20 | SCB-76477409 | c1ncnc(N2CCCCC2)n1 | 279.169525 | 1.1128 | 94.23 |
ZINC000725270686 | CCOC(=O)N1CCN(C2CCC3(CC2)C[C@H]3N)CC1 | -23.15 | 20 | SCB-44577370 | C1CN(C2CCC3(CC2)CC3)CCN1 | 281.210327 | 1.4205 | 58.8 |
ZINC000725270687 | CCOC(=O)N1CCN(C2CCC3(CC2)C[C@@H]3N)CC1 | -34.99 | 20 | SCB-16618043 | C1CN(C2CCC3(CC2)CC3)CCN1 | 281.210327 | 1.4205 | 58.8 |
ZINC000725270742 | CCC(CC)NC[C@@H](O)CS(=O)(=O)c1ccccc1 | -40.93 | 19 | SCB-20588603 | c1ccccc1 | 285.139865 | 1.5994 | 66.4 |
ZINC000725270743 | CCC(CC)NC[C@H](O)CS(=O)(=O)c1ccccc1 | -32.54 | 19 | SCB-46028597 | c1ccccc1 | 285.139865 | 1.5994 | 66.4 |
ZINC000725270749 | CC(C)(O)c1cn(CCOC2CCSCC2)nn1 | -24.57 | 18 | SCB-77473998 | c1cn(CCOC2CCSCC2)nn1 | 271.135448 | 1.4177 | 60.17 |
ZINC000725270768 | CCOC(=O)CC(=O)Nc1nccc(C(C)(C)C)n1 | -29.99 | 19 | SCB-72720177 | c1cncnc1 | 265.142641 | 1.6658 | 81.18 |
ZINC000725270810 | CC(C)[C@@H](NCc1c(Cl)cncc1Cl)C(N)=O | -27.65 | 17 | SCB-19493248 | c1ccncc1 | 275.059217 | 1.9879 | 68.01 |
ZINC000725270872 | CC[C@H](N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13)C(=O)OC | -31.5 | 18 | SCB-39644949 | C1CC[C@@]23C[C@@H](CO2)[C@H]3C1 | 253.167794 | 1.4852 | 47.56 |
ZINC000725270873 | CC[C@H](N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13)C(=O)OC | -24.05 | 18 | SCB-74723617 | C1CC[C@@]23C[C@@H](CO2)[C@H]3C1 | 253.167794 | 1.4852 | 47.56 |
ZINC000725270874 | CC[C@H](N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13)C(=O)OC | -34.97 | 18 | SCB-10058152 | C1CC[C@@]23C[C@@H](CO2)[C@@H]3C1 | 253.167794 | 1.4852 | 47.56 |
ZINC000725270903 | N[C@@H]1CCc2c(NS(=O)(=O)C3CC3)cccc21 | -39.99 | 17 | SCB-24360761 | O=S(=O)(Nc1cccc2c1CCC2)C1CC1 | 252.093249 | 1.5367 | 72.19 |
ZINC000725270909 | N[C@H]1CCc2c(NS(=O)(=O)C3CC3)cccc21 | -36.34 | 17 | SCB-78069962 | O=S(=O)(Nc1cccc2c1CCC2)C1CC1 | 252.093249 | 1.5367 | 72.19 |
ZINC000725270922 | COC(=O)[C@H](C)NCCc1ccc(NC(C)=O)cc1 | -22.87 | 19 | SCB-38780135 | c1ccccc1 | 264.147393 | 1.3386 | 67.43 |
ZINC000725270924 | N[C@H]1CC12CCC(N1CCC(C(=O)O)CC1)CC2 | -3.89 | 18 | SCB-75820936 | C1CCN(C2CCC3(CC2)CC3)CC1 | 252.183778 | 1.443 | 66.56 |
ZINC000725270948 | CC[C@@H](C)NC[C@H](O)CS(=O)(=O)c1ccccc1 | -37.05 | 18 | SCB-64522312 | c1ccccc1 | 271.124215 | 1.2093 | 66.4 |
ZINC000725270949 | CC[C@H](C)NC[C@@H](O)CS(=O)(=O)c1ccccc1 | -37.73 | 18 | SCB-11345309 | c1ccccc1 | 271.124215 | 1.2093 | 66.4 |
ZINC000725270952 | CC[C@@H](C)NC[C@@H](O)CS(=O)(=O)c1ccccc1 | -38.22 | 18 | SCB-27571743 | c1ccccc1 | 271.124215 | 1.2093 | 66.4 |
ZINC000725270956 | O=C(O)C1CN([C@@H]2CC[C@H](C(=O)O)[C@H](C(F)(F)F)C2)C1 | 19.57 | 20 | SCB-28581291 | C1CCC(N2CCC2)CC1 | 295.103143 | 1.4346 | 77.84 |
ZINC000725270960 | O=C(O)C1CN([C@@H]2CC[C@H](C(=O)O)[C@@H](C(F)(F)F)C2)C1 | 17.61 | 20 | SCB-91098869 | C1CCC(N2CCC2)CC1 | 295.103143 | 1.4346 | 77.84 |
ZINC000725270962 | CC(C)[C@H](NCc1ccc(Br)nc1)C(N)=O | -50.27 | 16 | SCB-65572865 | c1ccncc1 | 285.047674 | 1.4436 | 68.01 |
ZINC000725271065 | CC(C)NS(=O)(=O)Cc1ccc2nonc2c1 | -27.13 | 17 | SCB-28036023 | c1ccc2nonc2c1 | 255.067762 | 1.0506 | 85.09 |
ZINC000725271068 | COC(=O)[C@@H]1CCCN(C2CCC3(CC2)C[C@H]3N)C1 | -27.36 | 19 | SCB-97201876 | C1CCN(C2CCC3(CC2)CC3)CC1 | 266.199428 | 1.5314 | 55.56 |
ZINC000725271070 | COC(=O)[C@H]1CCCN(C2CCC3(CC2)C[C@@H]3N)C1 | -25.26 | 19 | SCB-33412410 | C1CCN(C2CCC3(CC2)CC3)CC1 | 266.199428 | 1.5314 | 55.56 |
ZINC000725271071 | COC(=O)[C@@H]1CCCN(C2CCC3(CC2)C[C@@H]3N)C1 | -2.05 | 19 | SCB-66551707 | C1CCN(C2CCC3(CC2)CC3)CC1 | 266.199428 | 1.5314 | 55.56 |
ZINC000725271148 | CC[C@@H](O)c1cn(CCOC2CCSCC2)nn1 | -25.71 | 18 | SCB-27216818 | c1cn(CCOC2CCSCC2)nn1 | 271.135448 | 1.6337 | 60.17 |
ZINC000725271151 | CC[C@H](O)c1cn(CCOC2CCSCC2)nn1 | -27.58 | 18 | SCB-68489522 | c1cn(CCOC2CCSCC2)nn1 | 271.135448 | 1.6337 | 60.17 |
ZINC000725271194 | CCC[C@@H](C)C(=O)N1CCC2(CC1)CNC[C@H](C)O2 | -12.19 | 19 | SCB-60976080 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271197 | CCC[C@H](C)C(=O)N1CCC2(CC1)CNC[C@H](C)O2 | -6.1 | 19 | SCB-47315997 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271214 | O=C(O)[C@@H]1CC[C@H](N2CCOCC2)C[C@@H]1C(F)(F)F | -13.32 | 19 | SCB-61681463 | C1CCC(N2CCOCC2)CC1 | 281.123878 | 1.7504 | 49.77 |
ZINC000725271217 | O=C(O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@@H]1C(F)(F)F | -18.3 | 19 | SCB-63723976 | C1CCC(N2CCOCC2)CC1 | 281.123878 | 1.7504 | 49.77 |
ZINC000725271218 | O=C(O)[C@@H]1CC[C@H](N2CCOCC2)C[C@H]1C(F)(F)F | -13.82 | 19 | SCB-85873503 | C1CCC(N2CCOCC2)CC1 | 281.123878 | 1.7504 | 49.77 |
ZINC000725271219 | O=C(O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1C(F)(F)F | -3.05 | 19 | SCB-15131306 | C1CCC(N2CCOCC2)CC1 | 281.123878 | 1.7504 | 49.77 |
ZINC000725271222 | C[C@H]1CN([C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1 | -29.92 | 19 | SCB-84530884 | c1ccc2c(c1)CC[C@@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271224 | C[C@H]1CN([C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1 | -8.39 | 19 | SCB-11210024 | c1ccc2c(c1)CC[C@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271226 | C[C@@H]1CN([C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1 | -17.28 | 19 | SCB-42118065 | c1ccc2c(c1)CC[C@@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271228 | C[C@@H]1CN([C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1 | -28.79 | 19 | SCB-32967497 | c1ccc2c(c1)CC[C@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271233 | C[C@H]1CNCCN1[C@@H]1CCc2c1cccc2[N+](=O)[O-] | -32.45 | 19 | SCB-26960125 | c1ccc2c(c1)CC[C@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271238 | C[C@@H]1CNCCN1[C@@H]1CCc2c1cccc2[N+](=O)[O-] | -18.71 | 19 | SCB-60116936 | c1ccc2c(c1)CC[C@H]2N1CCNCC1 | 261.147727 | 1.8758 | 58.41 |
ZINC000725271249 | CCOC(=O)[C@@H]1CCCN(C2CCC3(CC2)C[C@H]3N)C1 | -23.44 | 20 | SCB-29995414 | C1CCN(C2CCC3(CC2)CC3)CC1 | 280.215078 | 1.9215 | 55.56 |
ZINC000725271250 | CCOC(=O)[C@H]1CCCN(C2CCC3(CC2)C[C@H]3N)C1 | -16.47 | 20 | SCB-80643023 | C1CCN(C2CCC3(CC2)CC3)CC1 | 280.215078 | 1.9215 | 55.56 |
ZINC000725271251 | CCOC(=O)[C@H]1CCCN(C2CCC3(CC2)C[C@@H]3N)C1 | -27.14 | 20 | SCB-83544933 | C1CCN(C2CCC3(CC2)CC3)CC1 | 280.215078 | 1.9215 | 55.56 |
ZINC000725271252 | CCOC(=O)[C@@H]1CCCN(C2CCC3(CC2)C[C@@H]3N)C1 | -24.14 | 20 | SCB-16623449 | C1CCN(C2CCC3(CC2)CC3)CC1 | 280.215078 | 1.9215 | 55.56 |
ZINC000725271258 | CC(C)[C@@H](C)NC(=O)N1CCC2(CC1)CNC[C@@H](C)O2 | -1.62 | 20 | SCB-63987327 | C1CC2(CCN1)CNCCO2 | 283.225977 | 1.5834 | 53.6 |
ZINC000725271260 | CC(C)[C@H](C)NC(=O)N1CCC2(CC1)CNC[C@@H](C)O2 | -13.96 | 20 | SCB-10322181 | C1CC2(CCN1)CNCCO2 | 283.225977 | 1.5834 | 53.6 |
ZINC000725271262 | CC(C)[C@@H](C)NC(=O)N1CCC2(CC1)CNC[C@H](C)O2 | -6.47 | 20 | SCB-19346505 | C1CC2(CCN1)CNCCO2 | 283.225977 | 1.5834 | 53.6 |
ZINC000725271265 | CC(C)[C@H](C)NC(=O)N1CCC2(CC1)CNC[C@H](C)O2 | -10.11 | 20 | SCB-16300558 | C1CC2(CCN1)CNCCO2 | 283.225977 | 1.5834 | 53.6 |
ZINC000725271313 | C[C@H]1CN(C(=O)NC(C)(C)C)CC2(CCNCC2)O1 | -7.6 | 19 | SCB-74412070 | C1CC2(CCN1)CNCCO2 | 269.210327 | 1.3374 | 53.6 |
ZINC000725271339 | CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 | -27.55 | 16 | SCB-77402728 | c1ccoc1 | 266.996821 | 1.0178 | 85.61 |
ZINC000725271353 | CCC(C)(C)NC(=O)N1CCC2(CC1)CNC[C@H](C)O2 | -1.54 | 20 | SCB-15024165 | C1CC2(CCN1)CNCCO2 | 283.225977 | 1.7275 | 53.6 |
ZINC000725271426 | O=C(O)[C@@H]1CCCN([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 | -24.85 | 19 | SCB-65028849 | C1CCN([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)CC1 | 265.167794 | 1.7406 | 49.77 |
ZINC000725271430 | C[C@@H]1CN([C@@H]2CC[C@H](C(=O)O)[C@H](C(F)(F)F)C2)CCN1 | -10.35 | 20 | SCB-67976460 | C1CCC(N2CCNCC2)CC1 | 294.155513 | 1.7119 | 52.57 |
ZINC000725271432 | C[C@@H]1CN([C@@H]2CC[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)CCN1 | -28.54 | 20 | SCB-26726428 | C1CCC(N2CCNCC2)CC1 | 294.155513 | 1.7119 | 52.57 |
ZINC000725271471 | C[C@H]1CNCC2(CCN(C(=O)C3(C)CC3)CC2)O1 | -24.43 | 18 | SCB-16172014 | O=C(C1CC1)N1CCC2(CC1)CNCCO2 | 252.183778 | 1.156 | 41.57 |
ZINC000725271504 | CC(C)S(=O)(=O)N[C@@H]1CCc2c(N)cccc21 | -23.97 | 17 | SCB-18128250 | c1ccc2c(c1)CCC2 | 254.108899 | 1.5839 | 72.19 |
ZINC000725271505 | CC(C)S(=O)(=O)N[C@H]1CCc2c(N)cccc21 | -28.99 | 17 | SCB-60695184 | c1ccc2c(c1)CCC2 | 254.108899 | 1.5839 | 72.19 |
ZINC000725271530 | CCC[C@@H](C)C(=O)N1C[C@@H](C)OC2(CCNCC2)C1 | -18.74 | 19 | SCB-44381373 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271531 | CCC[C@@H](C)C(=O)N1C[C@H](C)OC2(CCNCC2)C1 | -10.14 | 19 | SCB-37675520 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271532 | CCC[C@H](C)C(=O)N1C[C@@H](C)OC2(CCNCC2)C1 | -17.31 | 19 | SCB-34777606 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271533 | CCC[C@H](C)C(=O)N1C[C@H](C)OC2(CCNCC2)C1 | -10.94 | 19 | SCB-73971748 | C1CC2(CCN1)CNCCO2 | 268.215078 | 1.7921 | 41.57 |
ZINC000725271551 | O=C(N[C@H]1CCO[C@H](C(=O)O)C1)OCc1ccccc1 | -3.91 | 20 | SCB-76291087 | O=C(NC1CCOCC1)OCc1ccccc1 | 279.110673 | 1.545 | 84.86 |
ZINC000725271556 | CCNC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@H]1C | -44.09 | 20 | SCB-43097842 | c1ncc(CN2CCCCC2)s1 | 297.162331 | 1.2548 | 83.28 |
ZINC000725271557 | CCNC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C | -37.1 | 20 | SCB-63231397 | c1ncc(CN2CCCCC2)s1 | 297.162331 | 1.2548 | 83.28 |
ZINC000725271559 | CCNC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C | -37.16 | 20 | SCB-58957934 | c1ncc(CN2CCCCC2)s1 | 297.162331 | 1.2548 | 83.28 |
ZINC000725271709 | CCOC(=O)C(F)(F)Cn1cc(CCCCCO)nn1 | -17.51 | 20 | SCB-43319573 | c1c[nH]nn1 | 291.139448 | 1.1816 | 77.24 |
ZINC000725271758 | CCCCS(=O)(=O)N[C@@H]1CCc2c(N)cccc21 | -23.48 | 18 | SCB-69729254 | c1ccc2c(c1)CCC2 | 268.124549 | 1.9756 | 72.19 |
ZINC000725271759 | CCCCS(=O)(=O)N[C@H]1CCc2c(N)cccc21 | -28.57 | 18 | SCB-74045958 | c1ccc2c(c1)CCC2 | 268.124549 | 1.9756 | 72.19 |
ZINC000725271778 | COC(=O)C1CCN([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)CC1 | -17.33 | 20 | SCB-56300089 | C1CCN([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)CC1 | 279.183444 | 1.829 | 38.77 |
ZINC000725271837 | C[C@H](C(=O)N1CCCNCCOCC1)C(C)(C)C | -24.93 | 18 | SCB-76103735 | C1CNCCOCCNC1 | 256.215078 | 1.5071 | 41.57 |
ZINC000725271840 | C[C@@H](C(=O)N1CCCNCCOCC1)C(C)(C)C | -20.35 | 18 | SCB-10768266 | C1CNCCOCCNC1 | 256.215078 | 1.5071 | 41.57 |
ZINC000725271896 | CCN1CCN(c2ccc(C=O)c([N+](=O)[O-])c2)CC1 | -40.17 | 19 | SCB-18074777 | c1ccc(N2CCNCC2)cc1 | 263.126991 | 1.5492 | 66.69 |
ZINC000725271904 | CC(C)NS(=O)(=O)C[C@@]12CCCC[C@H]1NCC2 | -33.61 | 17 | SCB-18751966 | C1CC[C@H]2NCCC2C1 | 260.155849 | 1.2365 | 58.2 |
ZINC000725271911 | CCC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C | -43.11 | 19 | SCB-19291357 | c1ncc(CN2CCCCC2)s1 | 282.151432 | 1.4619 | 71.25 |
ZINC000725271913 | CCCCNC(=O)N1C[C@@H](C)OC2(CCNCC2)C1 | -16.98 | 19 | SCB-10923569 | C1CC2(CCN1)CNCCO2 | 269.210327 | 1.339 | 53.6 |
ZINC000725271917 | CNS(=O)(=O)c1c[nH]c2c(Br)cccc12 | -29.65 | 15 | SCB-99914476 | c1ccc2[nH]ccc2c1 | 287.956811 | 1.8385 | 61.96 |
ZINC000725271946 | Nc1cccc2c1CC[C@@H]2NS(=O)(=O)C1CC1 | -28.62 | 17 | SCB-67805031 | O=S(=O)(N[C@H]1CCc2ccccc21)C1CC1 | 252.093249 | 1.3379 | 72.19 |
ZINC000725271947 | CCOC(=O)[C@@H]1CCC(=O)[C@@H]2CNC[C@]21C(F)(F)F | -26.17 | 19 | SCB-32617155 | O=C1CCCC2CNC[C@@H]12 | 279.108228 | 1.2967 | 55.4 |